REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" 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:17-Dec-2009 14:32:42 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -0.269 -7.084 -15.601 1.00 43.01 ATOM 2 CB MET 1 -2.148 -6.100 -15.878 1.00 12.14 ATOM 3 HB1 MET 1 -2.511 -6.856 -16.560 1.00 37.53 ATOM 4 HB2 MET 1 -1.698 -5.304 -16.458 1.00 43.14 ATOM 5 CG MET 1 -3.319 -5.514 -15.106 1.00 14.21 ATOM 6 HG1 MET 1 -3.737 -4.709 -15.692 1.00 37.53 ATOM 7 HG2 MET 1 -2.998 -5.121 -14.156 1.00 43.42 ATOM 8 SD MET 1 -4.626 -6.719 -14.805 1.00 22.43 ATOM 9 CE MET 1 -5.570 -5.885 -13.532 1.00 51.41 ATOM 10 HE1 MET 1 -5.932 -4.941 -13.912 1.00 34.12 ATOM 11 HE2 MET 1 -4.939 -5.709 -12.673 1.00 51.15 ATOM 12 HE3 MET 1 -6.408 -6.502 -13.243 1.00 21.42 ATOM 13 C MET 1 -0.514 -5.659 -14.036 1.00 3.42 ATOM 14 O MET 1 -0.713 -4.462 -14.241 1.00 21.05 ATOM 15 N MET 1 -1.621 -7.844 -14.235 1.00 44.41 ATOM 16 HT1 MET 1 -2.214 -7.517 -13.443 1.00 37.53 ATOM 17 HT2 MET 1 -0.849 -8.424 -13.852 1.00 37.53 ATOM 18 HT3 MET 1 -2.200 -8.451 -14.855 1.00 37.53 ATOM 19 CA MET 1 -1.073 -6.717 -14.981 1.00 43.15 ATOM 20 N GLY 2 0.187 -6.108 -12.999 1.00 31.21 ATOM 21 HN GLY 2 0.347 -7.070 -12.886 1.00 37.53 ATOM 22 CA GLY 2 0.763 -5.187 -12.037 1.00 41.43 ATOM 23 HA1 GLY 2 0.399 -4.180 -12.210 1.00 37.53 ATOM 24 HA2 GLY 2 1.835 -5.188 -12.164 1.00 34.51 ATOM 25 C GLY 2 0.452 -5.573 -10.605 1.00 60.51 ATOM 26 O GLY 2 0.255 -6.750 -10.301 1.00 71.41 ATOM 27 N HIS 3 0.409 -4.581 -9.722 1.00 23.24 ATOM 28 HN HIS 3 0.562 -3.664 -10.032 1.00 37.53 ATOM 29 CA HIS 3 0.121 -4.824 -8.313 1.00 21.14 ATOM 30 HA HIS 3 0.505 -5.801 -8.042 1.00 41.51 ATOM 31 CB HIS 3 0.813 -3.776 -7.441 1.00 12.23 ATOM 32 HB1 HIS 3 1.859 -3.732 -7.707 1.00 37.53 ATOM 33 HB2 HIS 3 0.723 -4.063 -6.404 1.00 40.13 ATOM 34 CG HIS 3 0.240 -2.400 -7.590 1.00 43.15 ATOM 35 ND1 HIS 3 -0.573 -1.816 -6.642 1.00 43.33 ATOM 36 HD1 HIS 3 -0.854 -2.226 -5.798 1.00 30.15 ATOM 37 CD2 HIS 3 0.369 -1.491 -8.585 1.00 50.02 ATOM 38 HD2 HIS 3 0.949 -1.607 -9.489 1.00 43.30 ATOM 39 CE1 HIS 3 -0.921 -0.608 -7.048 1.00 41.41 ATOM 40 HE1 HIS 3 -1.554 0.082 -6.509 1.00 42.12 ATOM 41 NE2 HIS 3 -0.362 -0.386 -8.224 1.00 71.02 ATOM 42 HE2 HIS 3 -0.378 0.468 -8.705 1.00 37.53 ATOM 43 C HIS 3 -1.383 -4.806 -8.055 1.00 4.34 ATOM 44 O HIS 3 -2.175 -4.536 -8.958 1.00 64.01 ATOM 45 N HIS 4 -1.769 -5.095 -6.816 1.00 53.11 ATOM 46 HN HIS 4 -1.091 -5.318 -6.135 1.00 37.53 ATOM 47 CA HIS 4 -3.178 -5.112 -6.439 1.00 53.44 ATOM 48 HA HIS 4 -3.739 -4.507 -7.146 1.00 53.41 ATOM 49 CB HIS 4 -3.720 -6.541 -6.473 1.00 51.02 ATOM 50 HB1 HIS 4 -4.694 -6.573 -5.999 1.00 37.53 ATOM 51 HB2 HIS 4 -3.044 -7.188 -5.935 1.00 34.11 ATOM 52 CG HIS 4 -3.876 -7.090 -7.858 1.00 13.30 ATOM 53 ND1 HIS 4 -2.989 -7.985 -8.417 1.00 75.41 ATOM 54 HD1 HIS 4 -2.188 -8.344 -7.982 1.00 55.54 ATOM 55 CD2 HIS 4 -4.825 -6.866 -8.797 1.00 72.10 ATOM 56 HD2 HIS 4 -5.681 -6.214 -8.700 1.00 41.31 ATOM 57 CE1 HIS 4 -3.385 -8.288 -9.641 1.00 10.52 ATOM 58 HE1 HIS 4 -2.885 -8.966 -10.317 1.00 13.11 ATOM 59 NE2 HIS 4 -4.497 -7.622 -9.896 1.00 10.15 ATOM 60 HE2 HIS 4 -4.949 -7.589 -10.765 1.00 37.53 ATOM 61 C HIS 4 -3.376 -4.513 -5.050 1.00 55.43 ATOM 62 O HIS 4 -2.496 -4.600 -4.194 1.00 20.22 ATOM 63 N HIS 5 -4.538 -3.903 -4.834 1.00 21.21 ATOM 64 HN HIS 5 -5.209 -3.859 -5.553 1.00 37.53 ATOM 65 CA HIS 5 -4.851 -3.289 -3.549 1.00 33.25 ATOM 66 HA HIS 5 -4.020 -3.436 -2.869 1.00 24.32 ATOM 67 CB HIS 5 -5.071 -1.786 -3.718 1.00 14.33 ATOM 68 HB1 HIS 5 -4.224 -1.362 -4.239 1.00 37.53 ATOM 69 HB2 HIS 5 -5.152 -1.329 -2.743 1.00 3.54 ATOM 70 CG HIS 5 -6.309 -1.445 -4.489 1.00 42.55 ATOM 71 ND1 HIS 5 -7.558 -1.366 -3.912 1.00 14.23 ATOM 72 HD1 HIS 5 -7.757 -1.509 -2.973 1.00 74.33 ATOM 73 CD2 HIS 5 -6.484 -1.159 -5.801 1.00 3.00 ATOM 74 HD2 HIS 5 -5.713 -1.127 -6.558 1.00 43.33 ATOM 75 CE1 HIS 5 -8.449 -1.048 -4.835 1.00 24.43 ATOM 76 HE1 HIS 5 -9.509 -0.916 -4.672 1.00 51.00 ATOM 77 NE2 HIS 5 -7.822 -0.917 -5.990 1.00 51.30 ATOM 78 HE2 HIS 5 -8.258 -0.773 -6.856 1.00 37.53 ATOM 79 C HIS 5 -6.089 -3.930 -2.928 1.00 12.20 ATOM 80 O HIS 5 -6.904 -4.534 -3.626 1.00 54.20 ATOM 81 N HIS 6 -6.223 -3.795 -1.612 1.00 52.33 ATOM 82 HN HIS 6 -5.543 -3.303 -1.098 1.00 37.53 ATOM 83 CA HIS 6 -7.362 -4.361 -0.898 1.00 2.43 ATOM 84 HA HIS 6 -7.193 -4.221 0.160 1.00 34.45 ATOM 85 CB HIS 6 -8.653 -3.652 -1.310 1.00 23.33 ATOM 86 HB1 HIS 6 -9.509 -4.232 -0.987 1.00 37.53 ATOM 87 HB2 HIS 6 -8.692 -3.544 -2.380 1.00 74.23 ATOM 88 CG HIS 6 -8.805 -2.289 -0.710 1.00 13.53 ATOM 89 ND1 HIS 6 -9.758 -1.384 -1.129 1.00 31.21 ATOM 90 HD1 HIS 6 -10.414 -1.532 -1.841 1.00 43.25 ATOM 91 CD2 HIS 6 -8.120 -1.677 0.285 1.00 72.12 ATOM 92 HD2 HIS 6 -7.297 -2.095 0.848 1.00 61.33 ATOM 93 CE1 HIS 6 -9.651 -0.275 -0.419 1.00 54.15 ATOM 94 HE1 HIS 6 -10.267 0.606 -0.527 1.00 42.35 ATOM 95 NE2 HIS 6 -8.665 -0.427 0.446 1.00 51.02 ATOM 96 HE2 HIS 6 -8.434 0.207 1.156 1.00 37.53 ATOM 97 C HIS 6 -7.482 -5.858 -1.165 1.00 45.13 ATOM 98 O HIS 6 -8.585 -6.392 -1.283 1.00 11.31 ATOM 99 N HIS 7 -6.339 -6.530 -1.261 1.00 61.32 ATOM 100 HN HIS 7 -5.482 -6.062 -1.127 1.00 37.53 ATOM 101 CA HIS 7 -6.316 -7.966 -1.515 1.00 61.52 ATOM 102 HA HIS 7 -7.193 -8.218 -2.103 1.00 22.32 ATOM 103 CB HIS 7 -5.066 -8.345 -2.311 1.00 32.14 ATOM 104 HB1 HIS 7 -4.201 -8.354 -1.659 1.00 37.53 ATOM 105 HB2 HIS 7 -4.910 -7.608 -3.086 1.00 54.25 ATOM 106 CG HIS 7 -5.164 -9.681 -2.980 1.00 33.41 ATOM 107 ND1 HIS 7 -6.308 -10.125 -3.610 1.00 65.23 ATOM 108 HD1 HIS 7 -7.148 -9.629 -3.692 1.00 64.23 ATOM 109 CD2 HIS 7 -4.252 -10.672 -3.116 1.00 73.25 ATOM 110 HD2 HIS 7 -3.238 -10.666 -2.741 1.00 40.04 ATOM 111 CE1 HIS 7 -6.095 -11.332 -4.104 1.00 51.02 ATOM 112 HE1 HIS 7 -6.813 -11.927 -4.650 1.00 71.42 ATOM 113 NE2 HIS 7 -4.855 -11.687 -3.819 1.00 12.34 ATOM 114 HE2 HIS 7 -4.469 -12.572 -3.984 1.00 37.53 ATOM 115 C HIS 7 -6.358 -8.750 -0.207 1.00 24.30 ATOM 116 O HIS 7 -5.333 -8.937 0.450 1.00 63.02 ATOM 117 N HIS 8 -7.549 -9.206 0.166 1.00 31.44 ATOM 118 HN HIS 8 -8.340 -9.020 -0.392 1.00 37.53 ATOM 119 CA HIS 8 -7.724 -9.970 1.397 1.00 71.12 ATOM 120 HA HIS 8 -6.753 -10.246 1.790 1.00 73.44 ATOM 121 CB HIS 8 -8.450 -9.128 2.446 1.00 52.31 ATOM 122 HB1 HIS 8 -7.903 -8.209 2.599 1.00 37.53 ATOM 123 HB2 HIS 8 -8.489 -9.675 3.377 1.00 54.44 ATOM 124 CG HIS 8 -9.853 -8.772 2.062 1.00 54.31 ATOM 125 ND1 HIS 8 -10.938 -9.574 2.346 1.00 31.31 ATOM 126 HD1 HIS 8 -10.907 -10.435 2.813 1.00 73.03 ATOM 127 CD2 HIS 8 -10.347 -7.691 1.414 1.00 43.25 ATOM 128 HD2 HIS 8 -9.777 -6.851 1.042 1.00 72.21 ATOM 129 CE1 HIS 8 -12.038 -9.003 1.888 1.00 64.33 ATOM 130 HE1 HIS 8 -13.038 -9.403 1.968 1.00 75.23 ATOM 131 NE2 HIS 8 -11.706 -7.859 1.318 1.00 52.23 ATOM 132 HE2 HIS 8 -12.339 -7.193 0.977 1.00 37.53 ATOM 133 C HIS 8 -8.502 -11.256 1.132 1.00 0.32 ATOM 134 O HIS 8 -9.178 -11.777 2.019 1.00 72.13 ATOM 135 N SER 9 -8.402 -11.761 -0.093 1.00 44.12 ATOM 136 HN SER 9 -7.828 -11.329 -0.763 1.00 37.53 ATOM 137 CA SER 9 -9.099 -12.983 -0.476 1.00 14.23 ATOM 138 HA SER 9 -9.740 -13.295 0.342 1.00 64.23 ATOM 139 CB SER 9 -9.985 -12.729 -1.697 1.00 45.44 ATOM 140 HB1 SER 9 -9.419 -12.866 -2.610 1.00 37.53 ATOM 141 HB2 SER 9 -10.359 -11.715 -1.663 1.00 53.30 ATOM 142 OG SER 9 -11.096 -13.607 -1.713 1.00 72.34 ATOM 143 HG SER 9 -11.535 -13.553 -2.565 1.00 22.51 ATOM 144 C SER 9 -8.108 -14.103 -0.776 1.00 32.10 ATOM 145 O SER 9 -7.223 -13.955 -1.619 1.00 23.01 ATOM 146 N HIS 10 -8.264 -15.225 -0.080 1.00 2.22 ATOM 147 HN HIS 10 -8.987 -15.297 0.583 1.00 37.53 ATOM 148 CA HIS 10 -7.383 -16.372 -0.271 1.00 54.23 ATOM 149 HA HIS 10 -7.678 -17.121 0.446 1.00 63.13 ATOM 150 CB HIS 10 -7.544 -16.934 -1.684 1.00 65.21 ATOM 151 HB1 HIS 10 -6.918 -16.397 -2.384 1.00 37.53 ATOM 152 HB2 HIS 10 -8.576 -16.820 -1.989 1.00 14.01 ATOM 153 CG HIS 10 -7.217 -18.392 -1.789 1.00 60.10 ATOM 154 ND1 HIS 10 -6.703 -18.968 -2.932 1.00 5.34 ATOM 155 HD1 HIS 10 -6.504 -18.500 -3.770 1.00 32.42 ATOM 156 CD2 HIS 10 -7.333 -19.393 -0.885 1.00 2.42 ATOM 157 HD2 HIS 10 -7.705 -19.304 0.126 1.00 43.32 ATOM 158 CE1 HIS 10 -6.518 -20.260 -2.726 1.00 43.41 ATOM 159 HE1 HIS 10 -6.126 -20.965 -3.445 1.00 63.54 ATOM 160 NE2 HIS 10 -6.892 -20.543 -1.492 1.00 0.14 ATOM 161 HE2 HIS 10 -6.774 -21.410 -1.051 1.00 37.53 ATOM 162 C HIS 10 -5.928 -15.986 -0.027 1.00 24.25 ATOM 163 O HIS 10 -5.111 -15.933 -0.947 1.00 12.55 ATOM 164 N PRO 11 -5.593 -15.710 1.243 1.00 74.22 ATOM 165 CA PRO 11 -4.235 -15.324 1.638 1.00 74.42 ATOM 166 HA PRO 11 -3.874 -14.488 1.055 1.00 34.50 ATOM 167 CB PRO 11 -4.398 -14.899 3.099 1.00 33.53 ATOM 168 HB1 PRO 11 -4.559 -13.832 3.144 1.00 37.53 ATOM 169 HB2 PRO 11 -3.517 -15.154 3.676 1.00 62.54 ATOM 170 CG PRO 11 -5.599 -15.640 3.577 1.00 14.24 ATOM 171 HG1 PRO 11 -6.080 -15.087 4.370 1.00 37.53 ATOM 172 HG2 PRO 11 -5.311 -16.621 3.924 1.00 31.41 ATOM 173 CD PRO 11 -6.515 -15.754 2.390 1.00 32.02 ATOM 174 HD1 PRO 11 -7.205 -14.924 2.364 1.00 37.53 ATOM 175 HD2 PRO 11 -7.049 -16.691 2.427 1.00 31.12 ATOM 176 C PRO 11 -3.249 -16.482 1.526 1.00 5.53 ATOM 177 O PRO 11 -3.636 -17.615 1.244 1.00 3.44 ATOM 178 N ASN 12 -1.972 -16.188 1.750 1.00 43.10 ATOM 179 HN ASN 12 -1.722 -15.263 1.988 1.00 37.53 ATOM 180 CA ASN 12 -0.929 -17.205 1.674 1.00 0.34 ATOM 181 HA ASN 12 -1.231 -17.948 0.943 1.00 54.50 ATOM 182 CB ASN 12 0.394 -16.576 1.232 1.00 22.34 ATOM 183 HB1 ASN 12 0.950 -16.234 2.097 1.00 37.53 ATOM 184 HB2 ASN 12 0.184 -15.725 0.597 1.00 14.32 ATOM 185 CG ASN 12 1.255 -17.540 0.438 1.00 53.53 ATOM 186 OD1 ASN 12 0.776 -18.203 -0.482 1.00 60.11 ATOM 187 ND2 ASN 12 2.532 -17.620 0.791 1.00 64.35 ATOM 188 HD21 ASN 12 2.862 -17.066 1.534 1.00 1.23 ATOM 189 HD22 ASN 12 3.104 -18.238 0.290 1.00 15.31 ATOM 190 C ASN 12 -0.750 -17.901 3.020 1.00 63.10 ATOM 191 O ASN 12 -1.392 -17.542 4.006 1.00 55.22 ATOM 192 N GLU 13 0.129 -18.898 3.052 1.00 73.43 ATOM 193 HN GLU 13 0.594 -19.163 2.231 1.00 37.53 ATOM 194 CA GLU 13 0.392 -19.645 4.276 1.00 0.14 ATOM 195 HA GLU 13 -0.548 -19.989 4.666 1.00 0.12 ATOM 196 CB GLU 13 1.271 -20.861 3.979 1.00 22.54 ATOM 197 HB1 GLU 13 2.191 -20.520 3.522 1.00 37.53 ATOM 198 HB2 GLU 13 0.751 -21.503 3.283 1.00 13.23 ATOM 199 CG GLU 13 1.617 -21.678 5.213 1.00 30.21 ATOM 200 HG1 GLU 13 0.719 -22.125 5.597 1.00 37.53 ATOM 201 HG2 GLU 13 2.045 -21.035 5.966 1.00 34.52 ATOM 202 CD GLU 13 2.621 -22.777 4.923 1.00 50.11 ATOM 203 OE1 GLU 13 3.552 -22.534 4.126 1.00 13.23 ATOM 204 OE2 GLU 13 2.476 -23.879 5.491 1.00 21.14 ATOM 205 C GLU 13 1.067 -18.759 5.319 1.00 13.54 ATOM 206 O GLU 13 0.770 -18.849 6.510 1.00 25.12 ATOM 207 N GLU 14 1.975 -17.903 4.862 1.00 44.13 ATOM 208 HN GLU 14 2.175 -17.876 3.897 1.00 37.53 ATOM 209 CA GLU 14 2.693 -17.001 5.755 1.00 21.43 ATOM 210 HA GLU 14 3.067 -17.589 6.586 1.00 32.31 ATOM 211 CB GLU 14 3.867 -16.349 5.023 1.00 63.15 ATOM 212 HB1 GLU 14 3.577 -15.365 4.670 1.00 37.53 ATOM 213 HB2 GLU 14 4.121 -16.956 4.161 1.00 12.02 ATOM 214 CG GLU 14 5.121 -16.225 5.872 1.00 42.54 ATOM 215 HG1 GLU 14 5.861 -16.917 5.495 1.00 37.53 ATOM 216 HG2 GLU 14 4.897 -16.472 6.902 1.00 31.01 ATOM 217 CD GLU 14 5.713 -14.829 5.836 1.00 24.04 ATOM 218 OE1 GLU 14 5.961 -14.318 4.724 1.00 62.42 ATOM 219 OE2 GLU 14 5.929 -14.248 6.920 1.00 3.12 ATOM 220 C GLU 14 1.762 -15.925 6.306 1.00 74.24 ATOM 221 O GLU 14 1.700 -15.701 7.514 1.00 45.10 ATOM 222 N ALA 15 1.038 -15.262 5.409 1.00 24.21 ATOM 223 HN ALA 15 1.135 -15.484 4.451 1.00 37.53 ATOM 224 CA ALA 15 0.109 -14.211 5.804 1.00 41.22 ATOM 225 HA ALA 15 0.682 -13.403 6.238 1.00 75.23 ATOM 226 CB ALA 15 -0.622 -13.668 4.585 1.00 34.11 ATOM 227 HB1 ALA 15 -1.265 -12.851 4.880 1.00 11.43 ATOM 228 HB2 ALA 15 -1.217 -14.452 4.138 1.00 43.11 ATOM 229 HB3 ALA 15 0.100 -13.313 3.865 1.00 24.44 ATOM 230 C ALA 15 -0.888 -14.720 6.839 1.00 55.04 ATOM 231 O ALA 15 -1.102 -14.087 7.873 1.00 61.02 ATOM 232 N ARG 16 -1.497 -15.866 6.553 1.00 72.31 ATOM 233 HN ARG 16 -1.283 -16.330 5.708 1.00 37.53 ATOM 234 CA ARG 16 -2.474 -16.459 7.459 1.00 50.05 ATOM 235 HA ARG 16 -3.213 -15.706 7.702 1.00 30.44 ATOM 236 CB ARG 16 -3.179 -17.637 6.783 1.00 42.43 ATOM 237 HB1 ARG 16 -3.492 -17.334 5.793 1.00 37.53 ATOM 238 HB2 ARG 16 -4.055 -17.892 7.365 1.00 22.21 ATOM 239 CG ARG 16 -2.308 -18.876 6.654 1.00 3.55 ATOM 240 HG1 ARG 16 -1.956 -19.183 7.625 1.00 37.53 ATOM 241 HG2 ARG 16 -1.485 -18.648 6.030 1.00 44.14 ATOM 242 CD ARG 16 -3.079 -20.039 6.051 1.00 11.03 ATOM 243 HD1 ARG 16 -3.423 -19.737 5.070 1.00 37.53 ATOM 244 HD2 ARG 16 -3.930 -20.262 6.681 1.00 64.25 ATOM 245 NE ARG 16 -2.254 -21.238 5.929 1.00 13.02 ATOM 246 HE ARG 16 -1.432 -21.290 6.470 1.00 3.03 ATOM 247 CZ ARG 16 -2.554 -22.258 5.132 1.00 5.23 ATOM 248 NH1 ARG 16 -3.652 -22.224 4.391 1.00 51.22 ATOM 249 HH11 ARG 16 -4.275 -21.447 4.413 1.00 42.43 ATOM 250 HH12 ARG 16 -3.866 -22.998 3.791 1.00 45.43 ATOM 251 NH2 ARG 16 -1.753 -23.314 5.076 1.00 63.32 ATOM 252 HH21 ARG 16 -0.927 -23.350 5.635 1.00 24.41 ATOM 253 HH22 ARG 16 -1.974 -24.082 4.471 1.00 22.21 ATOM 254 C ARG 16 -1.806 -16.925 8.749 1.00 14.42 ATOM 255 O ARG 16 -2.406 -16.875 9.824 1.00 52.00 ATOM 256 N LEU 17 -0.563 -17.377 8.636 1.00 63.13 ATOM 257 HN LEU 17 -0.132 -17.407 7.750 1.00 37.53 ATOM 258 CA LEU 17 0.187 -17.852 9.793 1.00 21.44 ATOM 259 HA LEU 17 -0.427 -18.566 10.327 1.00 72.14 ATOM 260 CB LEU 17 1.470 -18.552 9.342 1.00 24.33 ATOM 261 HB1 LEU 17 1.919 -17.949 8.563 1.00 37.53 ATOM 262 HB2 LEU 17 1.196 -19.508 8.914 1.00 33.11 ATOM 263 CG LEU 17 2.522 -18.789 10.426 1.00 24.14 ATOM 264 HG LEU 17 2.797 -17.852 10.872 1.00 25.41 ATOM 265 CD1 LEU 17 1.967 -19.686 11.522 1.00 1.52 ATOM 266 HD11 LEU 17 1.700 -20.648 11.108 1.00 33.02 ATOM 267 HD12 LEU 17 1.094 -19.231 11.965 1.00 24.10 ATOM 268 HD13 LEU 17 2.718 -19.820 12.282 1.00 0.34 ATOM 269 CD2 LEU 17 3.781 -19.397 9.824 1.00 1.45 ATOM 270 HD21 LEU 17 4.177 -18.734 9.067 1.00 1.15 ATOM 271 HD22 LEU 17 3.547 -20.353 9.376 1.00 40.51 ATOM 272 HD23 LEU 17 4.523 -19.536 10.599 1.00 33.42 ATOM 273 C LEU 17 0.526 -16.700 10.733 1.00 3.11 ATOM 274 O LEU 17 0.483 -16.848 11.955 1.00 62.45 ATOM 275 N ASP 18 0.861 -15.552 10.155 1.00 4.55 ATOM 276 HN ASP 18 0.897 -15.494 9.172 1.00 37.53 ATOM 277 CA ASP 18 1.205 -14.372 10.941 1.00 13.12 ATOM 278 HA ASP 18 2.109 -14.606 11.488 1.00 45.02 ATOM 279 CB ASP 18 1.453 -13.175 10.022 1.00 60.11 ATOM 280 HB1 ASP 18 0.511 -12.719 9.742 1.00 37.53 ATOM 281 HB2 ASP 18 1.956 -13.515 9.127 1.00 60.45 ATOM 282 CG ASP 18 2.325 -12.118 10.670 1.00 22.14 ATOM 283 OD1 ASP 18 2.924 -12.409 11.727 1.00 12.03 ATOM 284 OD2 ASP 18 2.410 -11.000 10.121 1.00 72.34 ATOM 285 C ASP 18 0.098 -14.042 11.938 1.00 22.33 ATOM 286 O ASP 18 0.369 -13.634 13.068 1.00 51.52 ATOM 287 N ILE 19 -1.148 -14.222 11.512 1.00 4.25 ATOM 288 HN ILE 19 -1.299 -14.573 10.607 1.00 37.53 ATOM 289 CA ILE 19 -2.294 -13.943 12.368 1.00 34.41 ATOM 290 HA ILE 19 -2.270 -12.892 12.629 1.00 70.53 ATOM 291 CB ILE 19 -3.622 -14.233 11.643 1.00 64.14 ATOM 292 HB ILE 19 -3.653 -15.285 11.406 1.00 60.21 ATOM 293 CG1 ILE 19 -3.704 -13.429 10.343 1.00 22.32 ATOM 294 HG11 ILE 19 -2.825 -13.604 9.743 1.00 37.53 ATOM 295 HG12 ILE 19 -3.765 -12.376 10.574 1.00 12.12 ATOM 296 CG2 ILE 19 -4.801 -13.910 12.547 1.00 13.12 ATOM 297 HG21 ILE 19 -4.800 -14.573 13.391 1.00 1.13 ATOM 298 HG22 ILE 19 -5.730 -14.041 12.012 1.00 51.00 ATOM 299 HG23 ILE 19 -4.730 -12.888 12.893 1.00 1.41 ATOM 300 CD1 ILE 19 -4.901 -13.782 9.489 1.00 34.21 ATOM 301 HD11 ILE 19 -4.800 -13.311 8.522 1.00 24.50 ATOM 302 HD12 ILE 19 -5.803 -13.428 9.964 1.00 2.12 ATOM 303 HD13 ILE 19 -4.957 -14.854 9.361 1.00 31.41 ATOM 304 C ILE 19 -2.238 -14.769 13.649 1.00 4.52 ATOM 305 O ILE 19 -2.504 -14.261 14.740 1.00 62.43 ATOM 306 N LEU 20 -1.887 -16.042 13.511 1.00 74.43 ATOM 307 HN LEU 20 -1.686 -16.396 12.612 1.00 37.53 ATOM 308 CA LEU 20 -1.793 -16.939 14.658 1.00 72.15 ATOM 309 HA LEU 20 -2.684 -16.815 15.263 1.00 72.25 ATOM 310 CB LEU 20 -1.715 -18.393 14.188 1.00 2.11 ATOM 311 HB1 LEU 20 -1.375 -18.999 15.023 1.00 37.53 ATOM 312 HB2 LEU 20 -0.952 -18.443 13.420 1.00 21.05 ATOM 313 CG LEU 20 -3.012 -18.995 13.648 1.00 54.43 ATOM 314 HG LEU 20 -3.784 -18.247 13.653 1.00 71.01 ATOM 315 CD1 LEU 20 -2.826 -19.464 12.213 1.00 14.40 ATOM 316 HD11 LEU 20 -2.524 -18.630 11.595 1.00 21.34 ATOM 317 HD12 LEU 20 -3.758 -19.864 11.838 1.00 42.52 ATOM 318 HD13 LEU 20 -2.065 -20.232 12.175 1.00 31.40 ATOM 319 CD2 LEU 20 -3.476 -20.144 14.531 1.00 64.13 ATOM 320 HD21 LEU 20 -2.727 -20.925 14.538 1.00 52.24 ATOM 321 HD22 LEU 20 -4.406 -20.542 14.149 1.00 23.51 ATOM 322 HD23 LEU 20 -3.631 -19.786 15.540 1.00 54.14 ATOM 323 C LEU 20 -0.576 -16.603 15.513 1.00 11.32 ATOM 324 O LEU 20 -0.637 -16.644 16.742 1.00 23.42 ATOM 325 N LYS 21 0.529 -16.267 14.855 1.00 35.05 ATOM 326 HN LYS 21 0.526 -16.266 13.869 1.00 37.53 ATOM 327 CA LYS 21 1.760 -15.919 15.554 1.00 30.45 ATOM 328 HA LYS 21 2.051 -16.760 16.167 1.00 4.05 ATOM 329 CB LYS 21 2.873 -15.617 14.549 1.00 25.21 ATOM 330 HB1 LYS 21 3.652 -15.040 15.036 1.00 37.53 ATOM 331 HB2 LYS 21 2.460 -15.030 13.739 1.00 13.53 ATOM 332 CG LYS 21 3.518 -16.862 13.963 1.00 11.50 ATOM 333 HG1 LYS 21 2.750 -17.488 13.530 1.00 37.53 ATOM 334 HG2 LYS 21 4.002 -17.388 14.765 1.00 52.44 ATOM 335 CD LYS 21 4.535 -16.510 12.890 1.00 73.21 ATOM 336 HD1 LYS 21 4.776 -15.454 12.943 1.00 37.53 ATOM 337 HD2 LYS 21 4.115 -16.727 11.926 1.00 20.52 ATOM 338 CE LYS 21 5.817 -17.311 13.054 1.00 44.11 ATOM 339 HE1 LYS 21 5.738 -18.211 12.464 1.00 37.53 ATOM 340 HE2 LYS 21 5.962 -17.576 14.094 1.00 42.31 ATOM 341 NZ LYS 21 7.011 -16.545 12.601 1.00 3.31 ATOM 342 HZ1 LYS 21 6.921 -16.296 11.594 1.00 53.33 ATOM 343 HZ2 LYS 21 7.869 -17.119 12.725 1.00 33.10 ATOM 344 HZ3 LYS 21 7.113 -15.670 13.157 1.00 4.30 ATOM 345 C LYS 21 1.546 -14.717 16.469 1.00 70.25 ATOM 346 O LYS 21 2.041 -14.687 17.596 1.00 74.22 ATOM 347 N ILE 22 0.806 -13.730 15.976 1.00 13.32 ATOM 348 HN ILE 22 0.438 -13.805 15.064 1.00 37.53 ATOM 349 CA ILE 22 0.525 -12.527 16.750 1.00 33.14 ATOM 350 HA ILE 22 1.458 -12.136 17.125 1.00 22.11 ATOM 351 CB ILE 22 -0.137 -11.440 15.882 1.00 24.42 ATOM 352 HB ILE 22 -1.067 -11.839 15.497 1.00 64.30 ATOM 353 CG1 ILE 22 0.778 -11.063 14.715 1.00 11.31 ATOM 354 HG11 ILE 22 1.341 -11.920 14.383 1.00 37.53 ATOM 355 HG12 ILE 22 1.478 -10.300 15.031 1.00 4.42 ATOM 356 CG2 ILE 22 -0.463 -10.216 16.724 1.00 11.01 ATOM 357 HG21 ILE 22 0.413 -9.906 17.279 1.00 23.25 ATOM 358 HG22 ILE 22 -1.264 -10.443 17.411 1.00 32.40 ATOM 359 HG23 ILE 22 -0.778 -9.405 16.080 1.00 31.45 ATOM 360 CD1 ILE 22 0.033 -10.523 13.514 1.00 3.22 ATOM 361 HD11 ILE 22 -0.512 -9.635 13.798 1.00 73.02 ATOM 362 HD12 ILE 22 -0.659 -11.270 13.154 1.00 14.52 ATOM 363 HD13 ILE 22 0.738 -10.279 12.733 1.00 32.41 ATOM 364 C ILE 22 -0.382 -12.836 17.936 1.00 35.34 ATOM 365 O ILE 22 -0.045 -12.541 19.083 1.00 33.04 ATOM 366 N HIS 23 -1.535 -13.435 17.653 1.00 51.54 ATOM 367 HN HIS 23 -1.748 -13.649 16.713 1.00 37.53 ATOM 368 CA HIS 23 -2.491 -13.787 18.697 1.00 40.34 ATOM 369 HA HIS 23 -2.781 -12.878 19.208 1.00 51.13 ATOM 370 CB HIS 23 -3.735 -14.430 18.083 1.00 42.03 ATOM 371 HB1 HIS 23 -4.418 -14.697 18.875 1.00 37.53 ATOM 372 HB2 HIS 23 -3.452 -15.318 17.538 1.00 63.20 ATOM 373 CG HIS 23 -4.479 -13.525 17.150 1.00 12.54 ATOM 374 ND1 HIS 23 -4.653 -12.177 17.388 1.00 24.42 ATOM 375 HD1 HIS 23 -4.321 -11.685 18.168 1.00 73.44 ATOM 376 CD2 HIS 23 -5.096 -13.780 15.973 1.00 44.54 ATOM 377 HD2 HIS 23 -5.171 -14.742 15.487 1.00 45.31 ATOM 378 CE1 HIS 23 -5.345 -11.643 16.398 1.00 61.31 ATOM 379 HE1 HIS 23 -5.631 -10.605 16.315 1.00 51.23 ATOM 380 NE2 HIS 23 -5.626 -12.594 15.525 1.00 23.44 ATOM 381 HE2 HIS 23 -6.044 -12.452 14.650 1.00 37.53 ATOM 382 C HIS 23 -1.861 -14.736 19.712 1.00 55.21 ATOM 383 O HIS 23 -2.276 -14.785 20.870 1.00 62.10 ATOM 384 N SER 24 -0.859 -15.488 19.269 1.00 31.22 ATOM 385 HN SER 24 -0.582 -15.439 18.327 1.00 37.53 ATOM 386 CA SER 24 -0.176 -16.439 20.138 1.00 64.10 ATOM 387 HA SER 24 -0.888 -16.830 20.856 1.00 11.52 ATOM 388 CB SER 24 0.374 -17.608 19.318 1.00 42.33 ATOM 389 HB1 SER 24 -0.379 -17.946 18.627 1.00 37.53 ATOM 390 HB2 SER 24 0.624 -18.413 19.966 1.00 1.22 ATOM 391 OG SER 24 1.525 -17.221 18.587 1.00 41.11 ATOM 392 HG SER 24 2.197 -17.904 18.650 1.00 61.31 ATOM 393 C SER 24 0.958 -15.760 20.901 1.00 62.54 ATOM 394 O SER 24 1.310 -16.171 22.006 1.00 22.45 ATOM 395 N ARG 25 1.526 -14.719 20.301 1.00 13.12 ATOM 396 HN ARG 25 1.228 -14.452 19.405 1.00 37.53 ATOM 397 CA ARG 25 2.621 -13.983 20.922 1.00 35.22 ATOM 398 HA ARG 25 3.415 -14.686 21.146 1.00 42.41 ATOM 399 CB ARG 25 3.148 -12.910 19.968 1.00 63.42 ATOM 400 HB1 ARG 25 3.522 -12.068 20.540 1.00 37.53 ATOM 401 HB2 ARG 25 2.335 -12.564 19.349 1.00 24.45 ATOM 402 CG ARG 25 4.281 -13.392 19.076 1.00 75.52 ATOM 403 HG1 ARG 25 4.111 -14.423 18.797 1.00 37.53 ATOM 404 HG2 ARG 25 5.208 -13.323 19.626 1.00 34.03 ATOM 405 CD ARG 25 4.388 -12.556 17.811 1.00 52.25 ATOM 406 HD1 ARG 25 3.433 -12.122 17.564 1.00 37.53 ATOM 407 HD2 ARG 25 4.690 -13.218 17.012 1.00 74.12 ATOM 408 NE ARG 25 5.374 -11.487 17.943 1.00 12.32 ATOM 409 HE ARG 25 5.657 -11.230 18.852 1.00 21.41 ATOM 410 CZ ARG 25 5.902 -10.842 16.909 1.00 4.11 ATOM 411 NH1 ARG 25 5.541 -11.156 15.673 1.00 70.03 ATOM 412 HH11 ARG 25 4.872 -11.871 15.489 1.00 65.51 ATOM 413 HH12 ARG 25 5.949 -10.665 14.900 1.00 74.12 ATOM 414 NH2 ARG 25 6.794 -9.880 17.111 1.00 61.23 ATOM 415 HH21 ARG 25 7.071 -9.638 18.043 1.00 32.53 ATOM 416 HH22 ARG 25 7.194 -9.392 16.332 1.00 44.20 ATOM 417 C ARG 25 2.170 -13.339 22.230 1.00 53.32 ATOM 418 O ARG 25 2.978 -13.096 23.126 1.00 10.31 ATOM 419 N LYS 26 0.874 -13.064 22.332 1.00 52.43 ATOM 420 HN LYS 26 0.268 -13.253 21.581 1.00 37.53 ATOM 421 CA LYS 26 0.314 -12.448 23.529 1.00 74.01 ATOM 422 HA LYS 26 1.078 -11.838 24.001 1.00 5.44 ATOM 423 CB LYS 26 -0.873 -11.554 23.160 1.00 23.24 ATOM 424 HB1 LYS 26 -1.520 -11.428 24.023 1.00 37.53 ATOM 425 HB2 LYS 26 -1.441 -12.038 22.376 1.00 72.11 ATOM 426 CG LYS 26 -0.466 -10.180 22.659 1.00 42.52 ATOM 427 HG1 LYS 26 -1.258 -9.796 22.032 1.00 37.53 ATOM 428 HG2 LYS 26 0.441 -10.268 22.071 1.00 22.14 ATOM 429 CD LYS 26 -0.240 -9.211 23.808 1.00 65.23 ATOM 430 HD1 LYS 26 0.246 -9.725 24.629 1.00 37.53 ATOM 431 HD2 LYS 26 -1.195 -8.830 24.137 1.00 0.03 ATOM 432 CE LYS 26 0.635 -8.041 23.386 1.00 42.51 ATOM 433 HE1 LYS 26 1.578 -8.420 23.016 1.00 37.53 ATOM 434 HE2 LYS 26 0.815 -7.416 24.248 1.00 54.25 ATOM 435 NZ LYS 26 -0.011 -7.220 22.324 1.00 3.35 ATOM 436 HZ1 LYS 26 0.576 -6.387 22.116 1.00 23.13 ATOM 437 HZ2 LYS 26 -0.950 -6.894 22.635 1.00 22.32 ATOM 438 HZ3 LYS 26 -0.120 -7.775 21.451 1.00 42.51 ATOM 439 C LYS 26 -0.128 -13.510 24.531 1.00 52.12 ATOM 440 O LYS 26 -0.049 -13.305 25.742 1.00 63.34 ATOM 441 N MET 27 -0.592 -14.645 24.017 1.00 15.55 ATOM 442 HN MET 27 -0.639 -14.760 23.039 1.00 37.53 ATOM 443 CA MET 27 -1.044 -15.739 24.868 1.00 31.44 ATOM 444 HA MET 27 -1.440 -15.326 25.789 1.00 34.24 ATOM 445 CB MET 27 -2.156 -16.528 24.174 1.00 64.43 ATOM 446 HB1 MET 27 -2.394 -17.392 24.784 1.00 37.53 ATOM 447 HB2 MET 27 -1.791 -16.866 23.214 1.00 32.01 ATOM 448 CG MET 27 -3.422 -15.720 23.942 1.00 3.45 ATOM 449 HG1 MET 27 -3.382 -15.291 22.956 1.00 37.53 ATOM 450 HG2 MET 27 -3.485 -14.925 24.674 1.00 74.22 ATOM 451 SD MET 27 -4.917 -16.719 24.070 1.00 12.32 ATOM 452 CE MET 27 -4.445 -18.158 23.115 1.00 72.33 ATOM 453 HE1 MET 27 -3.574 -17.954 22.519 1.00 34.45 ATOM 454 HE2 MET 27 -5.256 -18.433 22.468 1.00 3.10 ATOM 455 HE3 MET 27 -4.236 -18.970 23.784 1.00 51.44 ATOM 456 C MET 27 0.113 -16.669 25.218 1.00 64.30 ATOM 457 O MET 27 1.200 -16.563 24.651 1.00 72.23 ATOM 458 N ASN 28 -0.127 -17.580 26.156 1.00 54.13 ATOM 459 HN ASN 28 -1.024 -17.628 26.566 1.00 37.53 ATOM 460 CA ASN 28 0.896 -18.528 26.581 1.00 10.12 ATOM 461 HA ASN 28 1.862 -18.033 26.519 1.00 10.54 ATOM 462 CB ASN 28 0.660 -18.948 28.033 1.00 13.44 ATOM 463 HB1 ASN 28 -0.232 -19.542 28.087 1.00 37.53 ATOM 464 HB2 ASN 28 0.530 -18.061 28.636 1.00 13.34 ATOM 465 CG ASN 28 1.820 -19.742 28.602 1.00 51.32 ATOM 466 OD1 ASN 28 2.775 -20.060 27.893 1.00 2.43 ATOM 467 ND2 ASN 28 1.741 -20.066 29.887 1.00 23.21 ATOM 468 HD21 ASN 28 0.951 -19.789 30.403 1.00 63.22 ATOM 469 HD22 ASN 28 2.489 -20.563 30.278 1.00 10.15 ATOM 470 C ASN 28 0.906 -19.759 25.680 1.00 40.44 ATOM 471 O ASN 28 -0.139 -20.350 25.405 1.00 14.44 ATOM 472 N LEU 29 2.093 -20.140 25.222 1.00 63.01 ATOM 473 HN LEU 29 2.900 -19.634 25.470 1.00 37.53 ATOM 474 CA LEU 29 2.241 -21.301 24.351 1.00 33.44 ATOM 475 HA LEU 29 1.273 -21.747 24.192 1.00 63.13 ATOM 476 CB LEU 29 2.798 -20.877 22.992 1.00 52.45 ATOM 477 HB1 LEU 29 2.628 -21.693 22.309 1.00 37.53 ATOM 478 HB2 LEU 29 3.869 -20.727 23.089 1.00 44.11 ATOM 479 CG LEU 29 2.197 -19.607 22.387 1.00 22.00 ATOM 480 HG LEU 29 2.378 -18.776 23.053 1.00 53.23 ATOM 481 CD1 LEU 29 2.856 -19.287 21.054 1.00 74.51 ATOM 482 HD11 LEU 29 3.932 -19.367 21.146 1.00 5.23 ATOM 483 HD12 LEU 29 2.607 -18.278 20.771 1.00 63.15 ATOM 484 HD13 LEU 29 2.510 -19.972 20.292 1.00 51.53 ATOM 485 CD2 LEU 29 0.692 -19.757 22.218 1.00 3.14 ATOM 486 HD21 LEU 29 0.237 -20.114 23.118 1.00 73.43 ATOM 487 HD22 LEU 29 0.481 -20.454 21.420 1.00 54.13 ATOM 488 HD23 LEU 29 0.268 -18.796 21.972 1.00 64.12 ATOM 489 C LEU 29 3.156 -22.344 24.985 1.00 35.42 ATOM 490 O LEU 29 3.994 -22.022 25.827 1.00 2.33 ATOM 491 N THR 30 2.990 -23.598 24.574 1.00 42.35 ATOM 492 HN THR 30 2.294 -23.793 23.904 1.00 37.53 ATOM 493 CA THR 30 3.801 -24.688 25.100 1.00 62.33 ATOM 494 HA THR 30 3.700 -24.698 26.178 1.00 3.42 ATOM 495 CB THR 30 3.325 -26.052 24.564 1.00 12.31 ATOM 496 HB THR 30 2.292 -26.183 24.834 1.00 45.40 ATOM 497 OG1 THR 30 4.094 -27.106 25.154 1.00 41.31 ATOM 498 HG1 THR 30 3.758 -27.297 26.034 1.00 14.24 ATOM 499 CG2 THR 30 3.450 -26.112 23.049 1.00 3.13 ATOM 500 HG21 THR 30 4.434 -25.807 22.725 1.00 73.01 ATOM 501 HG22 THR 30 2.707 -25.472 22.608 1.00 34.32 ATOM 502 HG23 THR 30 3.272 -27.127 22.725 1.00 73.32 ATOM 503 C THR 30 5.272 -24.501 24.744 1.00 34.12 ATOM 504 O THR 30 5.616 -23.670 23.904 1.00 52.12 ATOM 505 N ARG 31 6.135 -25.279 25.388 1.00 21.34 ATOM 506 HN ARG 31 5.797 -25.938 26.042 1.00 37.53 ATOM 507 CA ARG 31 7.569 -25.198 25.140 1.00 64.41 ATOM 508 HA ARG 31 7.841 -24.154 25.027 1.00 3.05 ATOM 509 CB ARG 31 8.347 -25.786 26.319 1.00 12.01 ATOM 510 HB1 ARG 31 9.383 -25.916 26.029 1.00 37.53 ATOM 511 HB2 ARG 31 7.936 -26.756 26.563 1.00 61.00 ATOM 512 CG ARG 31 8.327 -24.908 27.560 1.00 74.31 ATOM 513 HG1 ARG 31 8.354 -23.865 27.271 1.00 37.53 ATOM 514 HG2 ARG 31 9.197 -25.136 28.157 1.00 32.24 ATOM 515 CD ARG 31 7.083 -25.158 28.399 1.00 62.31 ATOM 516 HD1 ARG 31 6.926 -26.225 28.500 1.00 37.53 ATOM 517 HD2 ARG 31 6.240 -24.717 27.888 1.00 43.32 ATOM 518 NE ARG 31 7.195 -24.572 29.732 1.00 65.41 ATOM 519 HE ARG 31 8.086 -24.274 30.032 1.00 70.12 ATOM 520 CZ ARG 31 6.166 -24.424 30.559 1.00 63.24 ATOM 521 NH1 ARG 31 4.955 -24.817 30.191 1.00 34.31 ATOM 522 HH11 ARG 31 4.788 -25.230 29.299 1.00 73.01 ATOM 523 HH12 ARG 31 4.185 -24.699 30.821 1.00 45.30 ATOM 524 NH2 ARG 31 6.348 -23.882 31.756 1.00 23.10 ATOM 525 HH21 ARG 31 7.261 -23.583 32.040 1.00 43.24 ATOM 526 HH22 ARG 31 5.573 -23.769 32.382 1.00 3.12 ATOM 527 C ARG 31 7.941 -25.933 23.855 1.00 31.12 ATOM 528 O ARG 31 8.518 -27.019 23.894 1.00 42.24 ATOM 529 N GLY 32 7.605 -25.333 22.717 1.00 15.45 ATOM 530 HN GLY 32 7.174 -24.452 22.742 1.00 37.53 ATOM 531 CA GLY 32 7.910 -25.944 21.437 1.00 32.34 ATOM 532 HA1 GLY 32 8.332 -26.932 21.573 1.00 37.53 ATOM 533 HA2 GLY 32 8.639 -25.329 20.931 1.00 34.14 ATOM 534 C GLY 32 6.689 -26.066 20.547 1.00 21.11 ATOM 535 O GLY 32 6.541 -27.046 19.817 1.00 73.41 ATOM 536 N ILE 33 5.812 -25.070 20.608 1.00 4.54 ATOM 537 HN ILE 33 5.990 -24.298 21.185 1.00 37.53 ATOM 538 CA ILE 33 4.598 -25.070 19.802 1.00 63.13 ATOM 539 HA ILE 33 4.136 -26.050 19.896 1.00 55.12 ATOM 540 CB ILE 33 3.592 -24.015 20.298 1.00 20.22 ATOM 541 HB ILE 33 3.481 -24.115 21.355 1.00 64.42 ATOM 542 CG1 ILE 33 2.234 -24.217 19.623 1.00 33.14 ATOM 543 HG11 ILE 33 1.868 -25.202 19.856 1.00 37.53 ATOM 544 HG12 ILE 33 2.334 -24.116 18.554 1.00 3.30 ATOM 545 CG2 ILE 33 4.119 -22.613 20.031 1.00 62.31 ATOM 546 HG21 ILE 33 3.497 -21.898 20.526 1.00 52.35 ATOM 547 HG22 ILE 33 4.112 -22.402 18.971 1.00 75.50 ATOM 548 HG23 ILE 33 5.128 -22.518 20.406 1.00 1.41 ATOM 549 CD1 ILE 33 1.183 -23.226 20.072 1.00 51.20 ATOM 550 HD11 ILE 33 1.456 -22.230 19.756 1.00 34.12 ATOM 551 HD12 ILE 33 1.091 -23.253 21.148 1.00 0.33 ATOM 552 HD13 ILE 33 0.245 -23.496 19.625 1.00 4.54 ATOM 553 C ILE 33 4.914 -24.804 18.334 1.00 73.34 ATOM 554 O ILE 33 5.785 -23.998 18.012 1.00 52.43 ATOM 555 N ASN 34 4.197 -25.488 17.447 1.00 1.40 ATOM 556 HN ASN 34 3.509 -26.120 17.756 1.00 37.53 ATOM 557 CA ASN 34 4.399 -25.324 16.012 1.00 65.50 ATOM 558 HA ASN 34 5.201 -24.608 15.853 1.00 55.11 ATOM 559 CB ASN 34 4.799 -26.658 15.377 1.00 20.13 ATOM 560 HB1 ASN 34 3.943 -27.136 14.935 1.00 37.53 ATOM 561 HB2 ASN 34 5.203 -27.310 16.140 1.00 24.03 ATOM 562 CG ASN 34 5.861 -26.494 14.308 1.00 63.15 ATOM 563 OD1 ASN 34 6.992 -26.099 14.595 1.00 75.33 ATOM 564 ND2 ASN 34 5.502 -26.797 13.066 1.00 72.14 ATOM 565 HD21 ASN 34 4.585 -27.108 12.891 1.00 63.20 ATOM 566 HD22 ASN 34 6.176 -26.697 12.362 1.00 42.25 ATOM 567 C ASN 34 3.138 -24.787 15.342 1.00 22.43 ATOM 568 O ASN 34 2.178 -25.526 15.120 1.00 15.31 ATOM 569 N LEU 35 3.148 -23.498 15.022 1.00 21.25 ATOM 570 HN LEU 35 3.954 -22.959 15.209 1.00 37.53 ATOM 571 CA LEU 35 2.005 -22.861 14.377 1.00 24.11 ATOM 572 HA LEU 35 1.102 -23.213 14.854 1.00 51.31 ATOM 573 CB LEU 35 2.080 -21.343 14.546 1.00 44.41 ATOM 574 HB1 LEU 35 1.175 -20.905 14.143 1.00 37.53 ATOM 575 HB2 LEU 35 2.917 -20.997 13.951 1.00 74.02 ATOM 576 CG LEU 35 2.282 -20.835 15.974 1.00 35.22 ATOM 577 HG LEU 35 3.005 -21.455 16.484 1.00 2.33 ATOM 578 CD1 LEU 35 2.827 -19.415 15.965 1.00 74.55 ATOM 579 HD11 LEU 35 2.954 -19.066 16.979 1.00 54.33 ATOM 580 HD12 LEU 35 2.140 -18.766 15.443 1.00 1.33 ATOM 581 HD13 LEU 35 3.784 -19.404 15.463 1.00 32.12 ATOM 582 CD2 LEU 35 0.976 -20.902 16.753 1.00 54.23 ATOM 583 HD21 LEU 35 0.235 -20.272 16.279 1.00 53.34 ATOM 584 HD22 LEU 35 1.140 -20.563 17.767 1.00 53.13 ATOM 585 HD23 LEU 35 0.618 -21.922 16.774 1.00 53.05 ATOM 586 C LEU 35 1.949 -23.217 12.895 1.00 33.30 ATOM 587 O LEU 35 0.871 -23.289 12.305 1.00 52.15 ATOM 588 N ARG 36 3.116 -23.442 12.301 1.00 50.44 ATOM 589 HN ARG 36 3.952 -23.349 12.814 1.00 37.53 ATOM 590 CA ARG 36 3.199 -23.792 10.888 1.00 41.42 ATOM 591 HA ARG 36 2.859 -22.942 10.314 1.00 55.12 ATOM 592 CB ARG 36 4.646 -24.105 10.502 1.00 31.44 ATOM 593 HB1 ARG 36 4.982 -24.964 11.069 1.00 37.53 ATOM 594 HB2 ARG 36 5.262 -23.254 10.759 1.00 14.25 ATOM 595 CG ARG 36 4.832 -24.398 9.023 1.00 44.14 ATOM 596 HG1 ARG 36 4.568 -23.515 8.459 1.00 37.53 ATOM 597 HG2 ARG 36 4.189 -25.216 8.732 1.00 15.40 ATOM 598 CD ARG 36 6.272 -24.769 8.705 1.00 24.33 ATOM 599 HD1 ARG 36 6.943 -24.246 9.377 1.00 37.53 ATOM 600 HD2 ARG 36 6.483 -24.465 7.690 1.00 70.35 ATOM 601 NE ARG 36 6.505 -26.207 8.818 1.00 14.31 ATOM 602 HE ARG 36 5.739 -26.782 9.052 1.00 1.04 ATOM 603 CZ ARG 36 7.688 -26.778 8.622 1.00 52.31 ATOM 604 NH1 ARG 36 8.741 -26.037 8.305 1.00 13.21 ATOM 605 HH11 ARG 36 8.668 -25.045 8.208 1.00 14.22 ATOM 606 HH12 ARG 36 9.630 -26.476 8.159 1.00 31.21 ATOM 607 NH2 ARG 36 7.820 -28.092 8.743 1.00 74.50 ATOM 608 HH21 ARG 36 7.028 -28.658 8.982 1.00 61.21 ATOM 609 HH22 ARG 36 8.712 -28.525 8.595 1.00 62.20 ATOM 610 C ARG 36 2.306 -24.988 10.571 1.00 42.45 ATOM 611 O ARG 36 1.763 -25.096 9.471 1.00 32.51 ATOM 612 N LYS 37 2.159 -25.884 11.541 1.00 44.43 ATOM 613 HN LYS 37 2.637 -25.768 12.394 1.00 37.53 ATOM 614 CA LYS 37 1.332 -27.072 11.367 1.00 44.33 ATOM 615 HA LYS 37 1.476 -27.449 10.361 1.00 5.54 ATOM 616 CB LYS 37 1.752 -28.160 12.358 1.00 52.22 ATOM 617 HB1 LYS 37 1.716 -27.754 13.360 1.00 37.53 ATOM 618 HB2 LYS 37 2.772 -28.444 12.137 1.00 24.05 ATOM 619 CG LYS 37 0.893 -29.411 12.287 1.00 1.43 ATOM 620 HG1 LYS 37 1.535 -30.276 12.391 1.00 37.53 ATOM 621 HG2 LYS 37 0.396 -29.457 11.325 1.00 61.33 ATOM 622 CD LYS 37 -0.164 -29.423 13.378 1.00 34.23 ATOM 623 HD1 LYS 37 -1.072 -29.823 12.965 1.00 37.53 ATOM 624 HD2 LYS 37 -0.350 -28.419 13.733 1.00 53.55 ATOM 625 CE LYS 37 0.259 -30.289 14.555 1.00 71.32 ATOM 626 HE1 LYS 37 -0.209 -29.899 15.444 1.00 37.53 ATOM 627 HE2 LYS 37 1.333 -30.263 14.669 1.00 70.33 ATOM 628 NZ LYS 37 -0.169 -31.705 14.383 1.00 31.35 ATOM 629 HZ1 LYS 37 0.257 -32.110 13.523 1.00 42.12 ATOM 630 HZ2 LYS 37 -1.205 -31.764 14.305 1.00 1.44 ATOM 631 HZ3 LYS 37 0.135 -32.269 15.203 1.00 64.22 ATOM 632 C LYS 37 -0.144 -26.739 11.556 1.00 73.35 ATOM 633 O LYS 37 -1.012 -27.348 10.929 1.00 70.11 ATOM 634 N ILE 38 -0.422 -25.770 12.421 1.00 41.12 ATOM 635 HN ILE 38 0.310 -25.314 12.876 1.00 37.53 ATOM 636 CA ILE 38 -1.793 -25.356 12.689 1.00 14.30 ATOM 637 HA ILE 38 -2.366 -26.238 12.950 1.00 44.52 ATOM 638 CB ILE 38 -1.861 -24.359 13.862 1.00 75.54 ATOM 639 HB ILE 38 -1.414 -23.424 13.551 1.00 14.14 ATOM 640 CG1 ILE 38 -1.083 -24.899 15.064 1.00 75.04 ATOM 641 HG11 ILE 38 -1.171 -24.202 15.887 1.00 37.53 ATOM 642 HG12 ILE 38 -0.051 -25.000 14.809 1.00 5.51 ATOM 643 CG2 ILE 38 -3.309 -24.086 14.240 1.00 13.45 ATOM 644 HG21 ILE 38 -3.811 -23.590 13.424 1.00 2.55 ATOM 645 HG22 ILE 38 -3.342 -23.445 15.109 1.00 71.34 ATOM 646 HG23 ILE 38 -3.818 -25.012 14.461 1.00 1.23 ATOM 647 CD1 ILE 38 -1.576 -26.245 15.548 1.00 55.42 ATOM 648 HD11 ILE 38 -2.520 -26.497 15.100 1.00 71.04 ATOM 649 HD12 ILE 38 -1.692 -26.215 16.621 1.00 54.03 ATOM 650 HD13 ILE 38 -0.849 -27.001 15.295 1.00 41.40 ATOM 651 C ILE 38 -2.426 -24.717 11.457 1.00 62.40 ATOM 652 O ILE 38 -3.454 -25.180 10.964 1.00 62.50 ATOM 653 N ALA 39 -1.803 -23.652 10.963 1.00 22.24 ATOM 654 HN ALA 39 -0.980 -23.328 11.402 1.00 37.53 ATOM 655 CA ALA 39 -2.302 -22.952 9.786 1.00 32.44 ATOM 656 HA ALA 39 -3.260 -22.531 10.032 1.00 12.43 ATOM 657 CB ALA 39 -1.371 -21.806 9.419 1.00 31.33 ATOM 658 HB1 ALA 39 -0.413 -22.198 9.105 1.00 64.14 ATOM 659 HB2 ALA 39 -1.231 -21.170 10.281 1.00 50.24 ATOM 660 HB3 ALA 39 -1.806 -21.229 8.617 1.00 51.25 ATOM 661 C ALA 39 -2.461 -23.906 8.607 1.00 11.10 ATOM 662 O ALA 39 -3.326 -23.712 7.753 1.00 21.24 ATOM 663 N GLU 40 -1.620 -24.935 8.566 1.00 14.14 ATOM 664 HN GLU 40 -0.919 -25.023 9.252 1.00 37.53 ATOM 665 CA GLU 40 -1.668 -25.917 7.490 1.00 61.22 ATOM 666 HA GLU 40 -1.568 -25.392 6.550 1.00 1.34 ATOM 667 CB GLU 40 -0.521 -26.920 7.633 1.00 43.41 ATOM 668 HB1 GLU 40 -0.822 -27.877 7.222 1.00 37.53 ATOM 669 HB2 GLU 40 -0.292 -27.052 8.678 1.00 3.20 ATOM 670 CG GLU 40 0.752 -26.494 6.920 1.00 73.23 ATOM 671 HG1 GLU 40 1.071 -25.540 7.302 1.00 37.53 ATOM 672 HG2 GLU 40 0.537 -26.399 5.866 1.00 24.43 ATOM 673 CD GLU 40 1.878 -27.496 7.088 1.00 14.11 ATOM 674 OE1 GLU 40 3.017 -27.179 6.687 1.00 23.40 ATOM 675 OE2 GLU 40 1.620 -28.596 7.620 1.00 15.53 ATOM 676 C GLU 40 -3.004 -26.654 7.484 1.00 31.34 ATOM 677 O GLU 40 -3.436 -27.173 6.454 1.00 41.11 ATOM 678 N LEU 41 -3.654 -26.697 8.642 1.00 21.02 ATOM 679 HN LEU 41 -3.259 -26.302 9.445 1.00 37.53 ATOM 680 CA LEU 41 -4.941 -27.371 8.773 1.00 53.24 ATOM 681 HA LEU 41 -5.030 -28.119 7.994 1.00 61.20 ATOM 682 CB LEU 41 -5.035 -28.077 10.126 1.00 3.03 ATOM 683 HB1 LEU 41 -5.980 -28.607 10.169 1.00 37.53 ATOM 684 HB2 LEU 41 -5.051 -27.306 10.891 1.00 31.04 ATOM 685 CG LEU 41 -3.906 -29.055 10.452 1.00 23.33 ATOM 686 HG LEU 41 -2.981 -28.709 10.011 1.00 43.32 ATOM 687 CD1 LEU 41 -3.689 -29.139 11.955 1.00 11.13 ATOM 688 HD11 LEU 41 -2.940 -29.883 12.172 1.00 30.23 ATOM 689 HD12 LEU 41 -4.614 -29.415 12.443 1.00 4.02 ATOM 690 HD13 LEU 41 -3.359 -28.179 12.326 1.00 35.41 ATOM 691 CD2 LEU 41 -4.210 -30.431 9.878 1.00 20.31 ATOM 692 HD21 LEU 41 -4.333 -30.357 8.806 1.00 65.42 ATOM 693 HD22 LEU 41 -5.119 -30.818 10.317 1.00 64.20 ATOM 694 HD23 LEU 41 -3.392 -31.104 10.096 1.00 10.21 ATOM 695 C LEU 41 -6.092 -26.381 8.622 1.00 2.33 ATOM 696 O LEU 41 -7.129 -26.516 9.271 1.00 62.22 ATOM 697 N MET 42 -5.901 -25.387 7.761 1.00 14.51 ATOM 698 HN MET 42 -5.071 -25.317 7.255 1.00 37.53 ATOM 699 CA MET 42 -6.925 -24.376 7.523 1.00 11.51 ATOM 700 HA MET 42 -7.835 -24.674 8.009 1.00 2.11 ATOM 701 CB MET 42 -6.493 -23.032 8.115 1.00 72.51 ATOM 702 HB1 MET 42 -7.339 -22.359 8.078 1.00 37.53 ATOM 703 HB2 MET 42 -5.688 -22.621 7.518 1.00 31.33 ATOM 704 CG MET 42 -6.005 -23.130 9.551 1.00 23.00 ATOM 705 HG1 MET 42 -5.013 -23.541 9.553 1.00 37.53 ATOM 706 HG2 MET 42 -6.659 -23.784 10.096 1.00 45.14 ATOM 707 SD MET 42 -5.981 -21.532 10.387 1.00 72.53 ATOM 708 CE MET 42 -7.703 -21.369 10.852 1.00 1.44 ATOM 709 HE1 MET 42 -8.007 -22.237 11.417 1.00 20.10 ATOM 710 HE2 MET 42 -8.309 -21.290 9.961 1.00 61.41 ATOM 711 HE3 MET 42 -7.831 -20.485 11.451 1.00 4.52 ATOM 712 C MET 42 -7.201 -24.222 6.031 1.00 42.22 ATOM 713 O MET 42 -6.891 -23.199 5.420 1.00 12.41 ATOM 714 N PRO 43 -7.796 -25.261 5.428 1.00 74.52 ATOM 715 CA PRO 43 -8.127 -25.265 4.000 1.00 62.24 ATOM 716 HA PRO 43 -7.261 -25.038 3.393 1.00 2.32 ATOM 717 CB PRO 43 -8.565 -26.709 3.741 1.00 40.23 ATOM 718 HB1 PRO 43 -7.717 -27.282 3.399 1.00 37.53 ATOM 719 HB2 PRO 43 -9.349 -26.747 2.994 1.00 43.03 ATOM 720 CG PRO 43 -9.043 -27.202 5.062 1.00 34.35 ATOM 721 HG1 PRO 43 -8.912 -28.272 5.124 1.00 37.53 ATOM 722 HG2 PRO 43 -10.082 -26.941 5.197 1.00 71.24 ATOM 723 CD PRO 43 -8.194 -26.513 6.094 1.00 23.11 ATOM 724 HD1 PRO 43 -7.329 -27.117 6.319 1.00 37.53 ATOM 725 HD2 PRO 43 -8.763 -26.329 6.982 1.00 41.01 ATOM 726 C PRO 43 -9.256 -24.297 3.663 1.00 30.33 ATOM 727 O PRO 43 -10.433 -24.638 3.777 1.00 42.51 ATOM 728 N GLY 44 -8.889 -23.088 3.248 1.00 34.41 ATOM 729 HN GLY 44 -7.935 -22.861 3.173 1.00 37.53 ATOM 730 CA GLY 44 -9.884 -22.090 2.901 1.00 21.13 ATOM 731 HA1 GLY 44 -10.682 -22.552 2.331 1.00 37.53 ATOM 732 HA2 GLY 44 -9.414 -21.336 2.285 1.00 2.35 ATOM 733 C GLY 44 -10.480 -21.417 4.122 1.00 73.43 ATOM 734 O GLY 44 -11.601 -21.728 4.524 1.00 2.05 ATOM 735 N ALA 45 -9.729 -20.494 4.713 1.00 70.11 ATOM 736 HN ALA 45 -8.831 -20.294 4.356 1.00 37.53 ATOM 737 CA ALA 45 -10.190 -19.776 5.894 1.00 12.24 ATOM 738 HA ALA 45 -11.268 -19.873 5.971 1.00 54.23 ATOM 739 CB ALA 45 -9.581 -20.380 7.151 1.00 74.51 ATOM 740 HB1 ALA 45 -8.506 -20.268 7.125 1.00 54.41 ATOM 741 HB2 ALA 45 -9.830 -21.430 7.199 1.00 64.33 ATOM 742 HB3 ALA 45 -9.975 -19.879 8.024 1.00 55.34 ATOM 743 C ALA 45 -9.852 -18.292 5.802 1.00 44.24 ATOM 744 O ALA 45 -8.883 -17.906 5.147 1.00 73.12 ATOM 745 N SER 46 -10.656 -17.464 6.461 1.00 41.35 ATOM 746 HN SER 46 -11.408 -17.830 6.985 1.00 37.53 ATOM 747 CA SER 46 -10.444 -16.021 6.448 1.00 23.14 ATOM 748 HA SER 46 -9.818 -15.760 5.603 1.00 70.51 ATOM 749 CB SER 46 -11.779 -15.289 6.297 1.00 23.24 ATOM 750 HB1 SER 46 -12.380 -15.784 5.548 1.00 37.53 ATOM 751 HB2 SER 46 -11.594 -14.269 5.993 1.00 14.12 ATOM 752 OG SER 46 -12.494 -15.275 7.521 1.00 61.53 ATOM 753 HG SER 46 -13.379 -14.934 7.371 1.00 63.21 ATOM 754 C SER 46 -9.742 -15.564 7.724 1.00 62.43 ATOM 755 O SER 46 -9.445 -16.370 8.605 1.00 63.13 ATOM 756 N GLY 47 -9.479 -14.264 7.814 1.00 34.03 ATOM 757 HN GLY 47 -9.728 -13.657 7.081 1.00 37.53 ATOM 758 CA GLY 47 -8.814 -13.721 8.984 1.00 34.35 ATOM 759 HA1 GLY 47 -8.577 -12.684 8.796 1.00 37.53 ATOM 760 HA2 GLY 47 -7.892 -14.261 9.157 1.00 35.00 ATOM 761 C GLY 47 -9.674 -13.804 10.230 1.00 1.23 ATOM 762 O GLY 47 -9.166 -14.022 11.330 1.00 61.44 ATOM 763 N ALA 48 -10.980 -13.627 10.059 1.00 1.20 ATOM 764 HN ALA 48 -11.333 -13.443 9.157 1.00 37.53 ATOM 765 CA ALA 48 -11.912 -13.683 11.179 1.00 43.35 ATOM 766 HA ALA 48 -11.575 -12.987 11.937 1.00 12.41 ATOM 767 CB ALA 48 -13.300 -13.250 10.732 1.00 73.44 ATOM 768 HB1 ALA 48 -13.245 -12.258 10.308 1.00 52.05 ATOM 769 HB2 ALA 48 -13.969 -13.239 11.581 1.00 70.30 ATOM 770 HB3 ALA 48 -13.674 -13.938 9.986 1.00 45.11 ATOM 771 C ALA 48 -11.960 -15.082 11.783 1.00 11.10 ATOM 772 O ALA 48 -12.058 -15.239 13.000 1.00 42.44 ATOM 773 N GLU 49 -11.892 -16.095 10.925 1.00 20.00 ATOM 774 HN GLU 49 -11.824 -15.912 9.958 1.00 37.53 ATOM 775 CA GLU 49 -11.930 -17.481 11.376 1.00 22.12 ATOM 776 HA GLU 49 -12.787 -17.602 12.029 1.00 31.23 ATOM 777 CB GLU 49 -12.072 -18.426 10.181 1.00 32.02 ATOM 778 HB1 GLU 49 -11.717 -19.412 10.460 1.00 37.53 ATOM 779 HB2 GLU 49 -11.461 -18.063 9.365 1.00 43.14 ATOM 780 CG GLU 49 -13.504 -18.582 9.696 1.00 44.24 ATOM 781 HG1 GLU 49 -14.172 -18.617 10.547 1.00 37.53 ATOM 782 HG2 GLU 49 -13.580 -19.510 9.148 1.00 61.42 ATOM 783 CD GLU 49 -13.937 -17.449 8.785 1.00 33.42 ATOM 784 OE1 GLU 49 -14.142 -16.327 9.292 1.00 10.45 ATOM 785 OE2 GLU 49 -14.072 -17.686 7.567 1.00 52.54 ATOM 786 C GLU 49 -10.673 -17.830 12.168 1.00 63.23 ATOM 787 O GLU 49 -10.730 -18.569 13.151 1.00 4.30 ATOM 788 N VAL 50 -9.538 -17.294 11.731 1.00 65.03 ATOM 789 HN VAL 50 -9.555 -16.700 10.945 1.00 37.53 ATOM 790 CA VAL 50 -8.266 -17.548 12.397 1.00 1.45 ATOM 791 HA VAL 50 -8.095 -18.614 12.405 1.00 12.32 ATOM 792 CB VAL 50 -7.098 -16.875 11.652 1.00 24.42 ATOM 793 HB VAL 50 -7.268 -15.807 11.638 1.00 63.13 ATOM 794 CG1 VAL 50 -5.783 -17.138 12.372 1.00 74.14 ATOM 795 HG11 VAL 50 -5.701 -18.190 12.612 1.00 52.31 ATOM 796 HG12 VAL 50 -5.739 -16.557 13.280 1.00 52.42 ATOM 797 HG13 VAL 50 -4.957 -16.858 11.738 1.00 4.25 ATOM 798 CG2 VAL 50 -7.034 -17.363 10.213 1.00 44.14 ATOM 799 HG21 VAL 50 -6.639 -16.574 9.591 1.00 0.11 ATOM 800 HG22 VAL 50 -8.007 -17.644 9.852 1.00 13.12 ATOM 801 HG23 VAL 50 -6.381 -18.223 10.141 1.00 42.21 ATOM 802 C VAL 50 -8.291 -17.047 13.837 1.00 20.13 ATOM 803 O VAL 50 -7.882 -17.753 14.759 1.00 32.33 ATOM 804 N LYS 51 -8.774 -15.824 14.024 1.00 11.42 ATOM 805 HN LYS 51 -9.076 -15.299 13.244 1.00 37.53 ATOM 806 CA LYS 51 -8.855 -15.227 15.352 1.00 32.02 ATOM 807 HA LYS 51 -7.845 -15.065 15.702 1.00 11.51 ATOM 808 CB LYS 51 -9.586 -13.884 15.287 1.00 41.03 ATOM 809 HB1 LYS 51 -10.643 -14.056 15.125 1.00 37.53 ATOM 810 HB2 LYS 51 -9.194 -13.329 14.443 1.00 21.43 ATOM 811 CG LYS 51 -9.425 -13.042 16.541 1.00 62.23 ATOM 812 HG1 LYS 51 -8.425 -13.177 16.935 1.00 37.53 ATOM 813 HG2 LYS 51 -10.142 -13.368 17.279 1.00 3.50 ATOM 814 CD LYS 51 -9.629 -11.565 16.251 1.00 54.34 ATOM 815 HD1 LYS 51 -9.010 -11.272 15.413 1.00 37.53 ATOM 816 HD2 LYS 51 -9.341 -10.998 17.124 1.00 24.22 ATOM 817 CE LYS 51 -11.083 -11.256 15.927 1.00 71.42 ATOM 818 HE1 LYS 51 -11.461 -11.967 15.205 1.00 37.53 ATOM 819 HE2 LYS 51 -11.132 -10.264 15.503 1.00 55.44 ATOM 820 NZ LYS 51 -11.942 -11.293 17.143 1.00 71.44 ATOM 821 HZ1 LYS 51 -11.953 -12.249 17.551 1.00 24.51 ATOM 822 HZ2 LYS 51 -12.916 -11.027 16.896 1.00 4.22 ATOM 823 HZ3 LYS 51 -11.588 -10.624 17.859 1.00 5.53 ATOM 824 C LYS 51 -9.570 -16.160 16.325 1.00 42.31 ATOM 825 O LYS 51 -9.174 -16.286 17.483 1.00 72.11 ATOM 826 N GLY 52 -10.625 -16.812 15.846 1.00 65.34 ATOM 827 HN GLY 52 -10.918 -16.671 14.918 1.00 37.53 ATOM 828 CA GLY 52 -11.376 -17.726 16.686 1.00 72.11 ATOM 829 HA1 GLY 52 -12.232 -18.081 16.131 1.00 37.53 ATOM 830 HA2 GLY 52 -11.726 -17.199 17.564 1.00 13.22 ATOM 831 C GLY 52 -10.553 -18.921 17.125 1.00 41.34 ATOM 832 O GLY 52 -10.739 -19.442 18.224 1.00 21.22 ATOM 833 N VAL 53 -9.640 -19.357 16.262 1.00 32.44 ATOM 834 HN VAL 53 -9.539 -18.902 15.399 1.00 37.53 ATOM 835 CA VAL 53 -8.786 -20.499 16.566 1.00 4.14 ATOM 836 HA VAL 53 -9.419 -21.365 16.681 1.00 53.32 ATOM 837 CB VAL 53 -7.789 -20.774 15.425 1.00 51.14 ATOM 838 HB VAL 53 -7.159 -19.909 15.298 1.00 14.22 ATOM 839 CG1 VAL 53 -6.893 -21.953 15.770 1.00 31.41 ATOM 840 HG11 VAL 53 -6.300 -21.730 16.643 1.00 13.42 ATOM 841 HG12 VAL 53 -6.227 -22.151 14.943 1.00 24.03 ATOM 842 HG13 VAL 53 -7.498 -22.829 15.959 1.00 64.00 ATOM 843 CG2 VAL 53 -8.530 -21.021 14.119 1.00 32.13 ATOM 844 HG21 VAL 53 -9.320 -21.744 14.271 1.00 14.42 ATOM 845 HG22 VAL 53 -7.839 -21.404 13.397 1.00 32.44 ATOM 846 HG23 VAL 53 -8.948 -20.100 13.758 1.00 70.00 ATOM 847 C VAL 53 -8.010 -20.276 17.860 1.00 13.20 ATOM 848 O VAL 53 -8.008 -21.128 18.749 1.00 21.11 ATOM 849 N CYS 54 -7.354 -19.125 17.959 1.00 61.23 ATOM 850 HN CYS 54 -7.396 -18.480 17.213 1.00 37.53 ATOM 851 CA CYS 54 -6.574 -18.789 19.145 1.00 63.44 ATOM 852 HA CYS 54 -5.861 -19.589 19.305 1.00 23.34 ATOM 853 CB CYS 54 -5.825 -17.473 18.932 1.00 64.23 ATOM 854 HB1 CYS 54 -6.432 -16.639 19.261 1.00 37.53 ATOM 855 HB2 CYS 54 -5.613 -17.352 17.878 1.00 14.32 ATOM 856 SG CYS 54 -4.242 -17.376 19.800 1.00 65.12 ATOM 857 HG CYS 54 -4.371 -16.504 20.790 1.00 32.34 ATOM 858 C CYS 54 -7.471 -18.685 20.374 1.00 65.12 ATOM 859 O CYS 54 -7.191 -19.283 21.413 1.00 24.33 ATOM 860 N THR 55 -8.550 -17.920 20.249 1.00 14.41 ATOM 861 HN THR 55 -8.721 -17.462 19.391 1.00 37.53 ATOM 862 CA THR 55 -9.487 -17.734 21.350 1.00 30.12 ATOM 863 HA THR 55 -8.960 -17.248 22.161 1.00 74.32 ATOM 864 CB THR 55 -10.669 -16.837 20.937 1.00 1.21 ATOM 865 HB THR 55 -11.186 -17.303 20.108 1.00 42.23 ATOM 866 OG1 THR 55 -10.188 -15.553 20.523 1.00 31.03 ATOM 867 HG1 THR 55 -10.822 -15.147 19.927 1.00 63.32 ATOM 868 CG2 THR 55 -11.650 -16.670 22.088 1.00 4.20 ATOM 869 HG21 THR 55 -11.116 -16.446 23.003 1.00 32.40 ATOM 870 HG22 THR 55 -12.224 -17.576 22.216 1.00 14.22 ATOM 871 HG23 THR 55 -12.323 -15.856 21.863 1.00 70.05 ATOM 872 C THR 55 -10.027 -19.071 21.844 1.00 73.43 ATOM 873 O THR 55 -10.167 -19.288 23.047 1.00 74.02 ATOM 874 N GLU 56 -10.328 -19.965 20.907 1.00 73.04 ATOM 875 HN GLU 56 -10.200 -19.734 19.957 1.00 37.53 ATOM 876 CA GLU 56 -10.854 -21.282 21.248 1.00 4.32 ATOM 877 HA GLU 56 -11.677 -21.137 21.922 1.00 44.43 ATOM 878 CB GLU 56 -11.324 -22.010 19.988 1.00 75.22 ATOM 879 HB1 GLU 56 -11.258 -23.082 20.128 1.00 37.53 ATOM 880 HB2 GLU 56 -10.689 -21.721 19.173 1.00 33.32 ATOM 881 CG GLU 56 -12.753 -21.678 19.591 1.00 60.14 ATOM 882 HG1 GLU 56 -13.009 -22.246 18.709 1.00 37.53 ATOM 883 HG2 GLU 56 -12.816 -20.623 19.369 1.00 34.51 ATOM 884 CD GLU 56 -13.753 -22.002 20.684 1.00 43.31 ATOM 885 OE1 GLU 56 -13.382 -22.722 21.634 1.00 64.43 ATOM 886 OE2 GLU 56 -14.907 -21.533 20.589 1.00 23.53 ATOM 887 C GLU 56 -9.800 -22.118 21.968 1.00 5.24 ATOM 888 O GLU 56 -10.090 -22.777 22.966 1.00 13.01 ATOM 889 N ALA 57 -8.574 -22.086 21.454 1.00 15.52 ATOM 890 HN ALA 57 -8.402 -21.552 20.642 1.00 37.53 ATOM 891 CA ALA 57 -7.477 -22.838 22.048 1.00 23.40 ATOM 892 HA ALA 57 -7.700 -23.891 21.948 1.00 3.32 ATOM 893 CB ALA 57 -6.180 -22.558 21.303 1.00 53.24 ATOM 894 HB1 ALA 57 -5.399 -23.205 21.670 1.00 24.32 ATOM 895 HB2 ALA 57 -5.890 -21.526 21.449 1.00 32.32 ATOM 896 HB3 ALA 57 -6.331 -22.738 20.252 1.00 41.21 ATOM 897 C ALA 57 -7.321 -22.506 23.528 1.00 24.21 ATOM 898 O ALA 57 -6.999 -23.374 24.339 1.00 74.24 ATOM 899 N GLY 58 -7.550 -21.243 23.874 1.00 44.10 ATOM 900 HN GLY 58 -7.789 -20.575 23.194 1.00 37.53 ATOM 901 CA GLY 58 -7.428 -20.819 25.257 1.00 54.45 ATOM 902 HA1 GLY 58 -7.452 -19.740 25.290 1.00 37.53 ATOM 903 HA2 GLY 58 -6.480 -21.157 25.657 1.00 31.42 ATOM 904 C GLY 58 -8.548 -21.354 26.127 1.00 2.44 ATOM 905 O GLY 58 -8.386 -21.498 27.339 1.00 44.03 ATOM 906 N MET 59 -9.687 -21.647 25.510 1.00 54.23 ATOM 907 HN MET 59 -9.774 -21.488 24.549 1.00 37.53 ATOM 908 CA MET 59 -10.838 -22.168 26.238 1.00 75.35 ATOM 909 HA MET 59 -11.034 -21.513 27.077 1.00 45.12 ATOM 910 CB MET 59 -12.073 -22.192 25.334 1.00 44.53 ATOM 911 HB1 MET 59 -12.904 -22.609 25.889 1.00 37.53 ATOM 912 HB2 MET 59 -11.873 -22.834 24.490 1.00 30.22 ATOM 913 CG MET 59 -12.463 -20.822 24.803 1.00 11.30 ATOM 914 HG1 MET 59 -12.663 -20.912 23.749 1.00 37.53 ATOM 915 HG2 MET 59 -11.655 -20.118 24.950 1.00 53.33 ATOM 916 SD MET 59 -13.943 -20.165 25.597 1.00 72.45 ATOM 917 CE MET 59 -13.427 -20.146 27.312 1.00 55.13 ATOM 918 HE1 MET 59 -14.214 -19.724 27.920 1.00 13.42 ATOM 919 HE2 MET 59 -12.534 -19.547 27.413 1.00 34.15 ATOM 920 HE3 MET 59 -13.223 -21.155 27.638 1.00 65.21 ATOM 921 C MET 59 -10.556 -23.570 26.769 1.00 73.14 ATOM 922 O MET 59 -10.775 -23.854 27.947 1.00 40.34 ATOM 923 N TYR 60 -10.070 -24.443 25.893 1.00 53.20 ATOM 924 HN TYR 60 -9.917 -24.157 24.960 1.00 37.53 ATOM 925 CA TYR 60 -9.761 -25.816 26.274 1.00 51.13 ATOM 926 HA TYR 60 -10.673 -26.282 26.617 1.00 73.24 ATOM 927 CB TYR 60 -9.235 -26.596 25.067 1.00 15.33 ATOM 928 HB1 TYR 60 -8.903 -27.577 25.391 1.00 37.53 ATOM 929 HB2 TYR 60 -8.391 -26.064 24.650 1.00 54.01 ATOM 930 CG TYR 60 -10.265 -26.793 23.978 1.00 15.50 ATOM 931 CD1 TYR 60 -10.240 -26.021 22.823 1.00 71.12 ATOM 932 HD1 TYR 60 -9.471 -25.270 22.705 1.00 10.35 ATOM 933 CD2 TYR 60 -11.264 -27.751 24.104 1.00 43.01 ATOM 934 HD2 TYR 60 -11.298 -28.359 24.990 1.00 71.14 ATOM 935 CE1 TYR 60 -11.180 -26.197 21.826 1.00 63.14 ATOM 936 HE1 TYR 60 -11.143 -25.587 20.936 1.00 24.11 ATOM 937 CE2 TYR 60 -12.207 -27.935 23.111 1.00 5.00 ATOM 938 HE2 TYR 60 -12.975 -28.685 23.228 1.00 51.00 ATOM 939 CZ TYR 60 -12.161 -27.155 21.974 1.00 24.32 ATOM 940 OH TYR 60 -13.098 -27.335 20.982 1.00 4.34 ATOM 941 HH TYR 60 -12.694 -27.772 20.226 1.00 30.55 ATOM 942 C TYR 60 -8.735 -25.850 27.402 1.00 21.41 ATOM 943 O TYR 60 -8.804 -26.696 28.293 1.00 31.13 ATOM 944 N ALA 61 -7.783 -24.924 27.356 1.00 12.11 ATOM 945 HN ALA 61 -7.768 -24.276 26.613 1.00 37.53 ATOM 946 CA ALA 61 -6.744 -24.845 28.375 1.00 63.31 ATOM 947 HA ALA 61 -6.336 -25.838 28.526 1.00 21.51 ATOM 948 CB ALA 61 -5.611 -23.945 27.905 1.00 51.52 ATOM 949 HB1 ALA 61 -4.827 -23.928 28.649 1.00 23.13 ATOM 950 HB2 ALA 61 -5.983 -22.942 27.751 1.00 4.22 ATOM 951 HB3 ALA 61 -5.213 -24.324 26.977 1.00 62.13 ATOM 952 C ALA 61 -7.309 -24.341 29.698 1.00 10.32 ATOM 953 O ALA 61 -6.939 -24.825 30.768 1.00 25.24 ATOM 954 N LEU 62 -8.207 -23.365 29.619 1.00 60.01 ATOM 955 HN LEU 62 -8.458 -23.005 28.735 1.00 37.53 ATOM 956 CA LEU 62 -8.824 -22.794 30.811 1.00 5.22 ATOM 957 HA LEU 62 -8.035 -22.425 31.455 1.00 15.50 ATOM 958 CB LEU 62 -9.740 -21.630 30.428 1.00 22.41 ATOM 959 HB1 LEU 62 -10.475 -21.486 31.215 1.00 37.53 ATOM 960 HB2 LEU 62 -10.274 -21.922 29.531 1.00 52.42 ATOM 961 CG LEU 62 -9.051 -20.290 30.169 1.00 24.22 ATOM 962 HG LEU 62 -8.114 -20.460 29.656 1.00 23.10 ATOM 963 CD1 LEU 62 -9.912 -19.411 29.276 1.00 2.21 ATOM 964 HD11 LEU 62 -10.856 -19.209 29.763 1.00 10.40 ATOM 965 HD12 LEU 62 -10.094 -19.916 28.337 1.00 23.24 ATOM 966 HD13 LEU 62 -9.401 -18.478 29.083 1.00 63.13 ATOM 967 CD2 LEU 62 -8.747 -19.584 31.483 1.00 62.34 ATOM 968 HD21 LEU 62 -9.669 -19.385 32.013 1.00 32.30 ATOM 969 HD22 LEU 62 -8.239 -18.650 31.284 1.00 24.32 ATOM 970 HD23 LEU 62 -8.111 -20.211 32.093 1.00 24.10 ATOM 971 C LEU 62 -9.616 -23.851 31.574 1.00 52.51 ATOM 972 O LEU 62 -9.430 -24.032 32.777 1.00 11.22 ATOM 973 N ARG 63 -10.499 -24.547 30.865 1.00 10.50 ATOM 974 HN ARG 63 -10.603 -24.355 29.902 1.00 37.53 ATOM 975 CA ARG 63 -11.319 -25.586 31.475 1.00 72.11 ATOM 976 HA ARG 63 -11.927 -25.127 32.242 1.00 10.12 ATOM 977 CB ARG 63 -12.239 -26.219 30.429 1.00 21.11 ATOM 978 HB1 ARG 63 -12.821 -25.437 29.963 1.00 37.53 ATOM 979 HB2 ARG 63 -12.912 -26.902 30.933 1.00 62.15 ATOM 980 CG ARG 63 -11.494 -26.972 29.339 1.00 31.52 ATOM 981 HG1 ARG 63 -10.687 -27.546 29.753 1.00 37.53 ATOM 982 HG2 ARG 63 -11.109 -26.252 28.648 1.00 72.32 ATOM 983 CD ARG 63 -12.417 -27.917 28.585 1.00 64.12 ATOM 984 HD1 ARG 63 -13.072 -27.332 27.956 1.00 37.53 ATOM 985 HD2 ARG 63 -13.010 -28.479 29.297 1.00 23.32 ATOM 986 NE ARG 63 -11.674 -28.858 27.751 1.00 44.34 ATOM 987 HE ARG 63 -10.691 -28.784 27.734 1.00 52.10 ATOM 988 CZ ARG 63 -12.250 -29.803 27.017 1.00 61.22 ATOM 989 NH1 ARG 63 -13.569 -29.933 27.014 1.00 54.31 ATOM 990 HH11 ARG 63 -14.152 -29.330 27.557 1.00 45.03 ATOM 991 HH12 ARG 63 -13.995 -30.649 26.457 1.00 40.25 ATOM 992 NH2 ARG 63 -11.506 -30.621 26.283 1.00 21.45 ATOM 993 HH21 ARG 63 -10.508 -30.528 26.280 1.00 41.30 ATOM 994 HH22 ARG 63 -11.939 -31.335 25.729 1.00 54.42 ATOM 995 C ARG 63 -10.446 -26.660 32.117 1.00 34.41 ATOM 996 O ARG 63 -10.876 -27.353 33.039 1.00 0.42 ATOM 997 N GLU 64 -9.220 -26.793 31.622 1.00 23.01 ATOM 998 HN GLU 64 -8.932 -26.252 30.856 1.00 37.53 ATOM 999 CA GLU 64 -8.288 -27.784 32.147 1.00 22.03 ATOM 1000 HA GLU 64 -8.851 -28.594 32.599 1.00 21.34 ATOM 1001 CB GLU 64 -7.430 -28.359 31.018 1.00 33.11 ATOM 1002 HB1 GLU 64 -6.612 -28.929 31.446 1.00 37.53 ATOM 1003 HB2 GLU 64 -7.023 -27.543 30.439 1.00 11.34 ATOM 1004 CG GLU 64 -8.197 -29.273 30.076 1.00 2.45 ATOM 1005 HG1 GLU 64 -8.904 -28.691 29.517 1.00 37.53 ATOM 1006 HG2 GLU 64 -8.728 -30.011 30.661 1.00 23.42 ATOM 1007 CD GLU 64 -7.290 -30.001 29.104 1.00 60.41 ATOM 1008 OE1 GLU 64 -6.307 -29.388 28.637 1.00 21.53 ATOM 1009 OE2 GLU 64 -7.563 -31.184 28.809 1.00 10.33 ATOM 1010 C GLU 64 -7.392 -27.173 33.221 1.00 44.03 ATOM 1011 O GLU 64 -6.340 -27.720 33.551 1.00 24.43 ATOM 1012 N ARG 65 -7.816 -26.035 33.760 1.00 31.12 ATOM 1013 HN ARG 65 -8.651 -25.625 33.481 1.00 37.53 ATOM 1014 CA ARG 65 -7.052 -25.348 34.795 1.00 71.15 ATOM 1015 HA ARG 65 -7.503 -24.382 34.957 1.00 24.32 ATOM 1016 CB ARG 65 -7.087 -26.146 36.099 1.00 21.21 ATOM 1017 HB1 ARG 65 -6.645 -25.551 36.886 1.00 37.53 ATOM 1018 HB2 ARG 65 -6.508 -27.052 35.977 1.00 65.52 ATOM 1019 CG ARG 65 -8.488 -26.545 36.532 1.00 54.20 ATOM 1020 HG1 ARG 65 -8.426 -27.069 37.474 1.00 37.53 ATOM 1021 HG2 ARG 65 -8.917 -27.196 35.785 1.00 42.12 ATOM 1022 CD ARG 65 -9.386 -25.329 36.703 1.00 63.05 ATOM 1023 HD1 ARG 65 -9.431 -24.778 35.776 1.00 37.53 ATOM 1024 HD2 ARG 65 -8.964 -24.701 37.475 1.00 40.54 ATOM 1025 NE ARG 65 -10.747 -25.702 37.079 1.00 4.31 ATOM 1026 HE ARG 65 -11.006 -26.650 36.996 1.00 23.13 ATOM 1027 CZ ARG 65 -11.650 -24.834 37.521 1.00 75.40 ATOM 1028 NH1 ARG 65 -11.340 -23.551 37.641 1.00 64.03 ATOM 1029 HH11 ARG 65 -10.434 -23.208 37.404 1.00 1.23 ATOM 1030 HH12 ARG 65 -12.029 -22.906 37.978 1.00 55.24 ATOM 1031 NH2 ARG 65 -12.869 -25.250 37.844 1.00 65.22 ATOM 1032 HH21 ARG 65 -13.111 -26.218 37.755 1.00 44.24 ATOM 1033 HH22 ARG 65 -13.552 -24.597 38.178 1.00 1.13 ATOM 1034 C ARG 65 -5.607 -25.137 34.353 1.00 23.41 ATOM 1035 O ARG 65 -4.686 -25.173 35.170 1.00 33.01 ATOM 1036 N ARG 66 -5.415 -24.919 33.056 1.00 13.53 ATOM 1037 HN ARG 66 -6.183 -24.856 32.446 1.00 37.53 ATOM 1038 CA ARG 66 -4.082 -24.704 32.506 1.00 13.02 ATOM 1039 HA ARG 66 -3.341 -24.940 33.264 1.00 54.21 ATOM 1040 CB ARG 66 -3.850 -25.620 31.303 1.00 33.23 ATOM 1041 HB1 ARG 66 -2.958 -25.290 30.780 1.00 37.53 ATOM 1042 HB2 ARG 66 -4.690 -25.545 30.634 1.00 21.33 ATOM 1043 CG ARG 66 -3.667 -27.082 31.677 1.00 1.15 ATOM 1044 HG1 ARG 66 -4.636 -27.509 31.876 1.00 37.53 ATOM 1045 HG2 ARG 66 -3.050 -27.154 32.563 1.00 31.03 ATOM 1046 CD ARG 66 -3.000 -27.864 30.557 1.00 21.30 ATOM 1047 HD1 ARG 66 -1.933 -27.820 30.720 1.00 37.53 ATOM 1048 HD2 ARG 66 -3.238 -27.413 29.600 1.00 54.00 ATOM 1049 NE ARG 66 -3.431 -29.260 30.532 1.00 5.41 ATOM 1050 HE ARG 66 -4.274 -29.491 30.987 1.00 51.00 ATOM 1051 CZ ARG 66 -2.753 -30.227 29.925 1.00 62.15 ATOM 1052 NH1 ARG 66 -1.619 -29.952 29.295 1.00 24.23 ATOM 1053 HH11 ARG 66 -1.252 -29.027 29.257 1.00 2.34 ATOM 1054 HH12 ARG 66 -1.114 -30.691 28.844 1.00 44.14 ATOM 1055 NH2 ARG 66 -3.209 -31.473 29.946 1.00 53.10 ATOM 1056 HH21 ARG 66 -4.066 -31.688 30.420 1.00 2.15 ATOM 1057 HH22 ARG 66 -2.699 -32.204 29.488 1.00 22.14 ATOM 1058 C ARG 66 -3.892 -23.247 32.094 1.00 74.22 ATOM 1059 O ARG 66 -4.850 -22.564 31.731 1.00 41.15 ATOM 1060 N VAL 67 -2.650 -22.778 32.153 1.00 11.10 ATOM 1061 HN VAL 67 -1.925 -23.363 32.474 1.00 37.53 ATOM 1062 CA VAL 67 -2.334 -21.403 31.785 1.00 11.24 ATOM 1063 HA VAL 67 -3.258 -20.843 31.676 1.00 42.12 ATOM 1064 CB VAL 67 -1.488 -20.712 32.871 1.00 2.11 ATOM 1065 HB VAL 67 -0.504 -21.163 32.886 1.00 12.20 ATOM 1066 CG1 VAL 67 -1.326 -19.232 32.561 1.00 53.41 ATOM 1067 HG11 VAL 67 -0.813 -18.743 33.380 1.00 21.34 ATOM 1068 HG12 VAL 67 -2.297 -18.776 32.428 1.00 1.33 ATOM 1069 HG13 VAL 67 -0.745 -19.107 31.661 1.00 2.41 ATOM 1070 CG2 VAL 67 -2.115 -20.912 34.243 1.00 63.55 ATOM 1071 HG21 VAL 67 -2.142 -21.965 34.483 1.00 75.23 ATOM 1072 HG22 VAL 67 -3.121 -20.517 34.245 1.00 75.42 ATOM 1073 HG23 VAL 67 -1.527 -20.395 34.990 1.00 64.54 ATOM 1074 C VAL 67 -1.584 -21.347 30.459 1.00 24.25 ATOM 1075 O VAL 67 -1.631 -20.343 29.748 1.00 14.03 ATOM 1076 N HIS 68 -0.891 -22.433 30.132 1.00 65.20 ATOM 1077 HN HIS 68 -0.899 -23.212 30.721 1.00 37.53 ATOM 1078 CA HIS 68 -0.130 -22.509 28.890 1.00 41.23 ATOM 1079 HA HIS 68 0.034 -21.522 28.527 1.00 14.42 ATOM 1080 CB HIS 68 1.229 -23.164 29.138 1.00 1.02 ATOM 1081 HB1 HIS 68 1.810 -22.537 29.788 1.00 37.53 ATOM 1082 HB2 HIS 68 1.755 -23.280 28.201 1.00 72.12 ATOM 1083 CG HIS 68 1.135 -24.511 29.786 1.00 61.10 ATOM 1084 ND1 HIS 68 1.151 -24.692 31.153 1.00 40.31 ATOM 1085 HD1 HIS 68 1.224 -23.981 31.824 1.00 33.11 ATOM 1086 CD2 HIS 68 1.022 -25.747 29.246 1.00 72.10 ATOM 1087 HD2 HIS 68 0.978 -25.984 28.192 1.00 2.34 ATOM 1088 CE1 HIS 68 1.053 -25.981 31.426 1.00 44.43 ATOM 1089 HE1 HIS 68 1.039 -26.419 32.413 1.00 13.13 ATOM 1090 NE2 HIS 68 0.973 -26.643 30.286 1.00 41.23 ATOM 1091 HE2 HIS 68 0.799 -27.604 30.202 1.00 37.53 ATOM 1092 C HIS 68 -0.898 -23.291 27.829 1.00 55.12 ATOM 1093 O HIS 68 -1.351 -24.410 28.073 1.00 4.54 ATOM 1094 N VAL 69 -1.043 -22.694 26.650 1.00 75.32 ATOM 1095 HN VAL 69 -0.656 -21.803 26.507 1.00 37.53 ATOM 1096 CA VAL 69 -1.757 -23.335 25.551 1.00 10.25 ATOM 1097 HA VAL 69 -2.555 -23.942 25.974 1.00 13.20 ATOM 1098 CB VAL 69 -2.403 -22.293 24.619 1.00 61.34 ATOM 1099 HB VAL 69 -1.622 -21.753 24.103 1.00 20.04 ATOM 1100 CG1 VAL 69 -3.269 -22.978 23.572 1.00 43.21 ATOM 1101 HG11 VAL 69 -4.019 -23.586 24.060 1.00 12.41 ATOM 1102 HG12 VAL 69 -2.658 -23.601 22.937 1.00 14.31 ATOM 1103 HG13 VAL 69 -3.759 -22.231 22.962 1.00 62.24 ATOM 1104 CG2 VAL 69 -3.217 -21.291 25.423 1.00 43.54 ATOM 1105 HG21 VAL 69 -3.716 -20.613 24.755 1.00 32.50 ATOM 1106 HG22 VAL 69 -2.563 -20.730 26.073 1.00 52.31 ATOM 1107 HG23 VAL 69 -3.954 -21.813 26.018 1.00 72.12 ATOM 1108 C VAL 69 -0.825 -24.224 24.735 1.00 15.31 ATOM 1109 O VAL 69 0.258 -23.801 24.331 1.00 64.33 ATOM 1110 N THR 70 -1.255 -25.459 24.495 1.00 42.21 ATOM 1111 HN THR 70 -2.138 -25.740 24.829 1.00 37.53 ATOM 1112 CA THR 70 -0.459 -26.409 23.727 1.00 15.42 ATOM 1113 HA THR 70 0.578 -26.111 23.762 1.00 0.13 ATOM 1114 CB THR 70 -0.559 -27.829 24.315 1.00 74.14 ATOM 1115 HB THR 70 0.159 -28.463 23.813 1.00 11.42 ATOM 1116 OG1 THR 70 -1.875 -28.355 24.104 1.00 5.10 ATOM 1117 HG1 THR 70 -2.538 -27.837 24.577 1.00 5.23 ATOM 1118 CG2 THR 70 -0.242 -27.823 25.802 1.00 13.14 ATOM 1119 HG21 THR 70 0.742 -27.405 25.964 1.00 74.51 ATOM 1120 HG22 THR 70 -0.265 -28.836 26.176 1.00 5.23 ATOM 1121 HG23 THR 70 -0.976 -27.232 26.328 1.00 53.23 ATOM 1122 C THR 70 -0.900 -26.442 22.268 1.00 32.13 ATOM 1123 O THR 70 -2.014 -26.037 21.938 1.00 13.23 ATOM 1124 N GLN 71 -0.019 -26.928 21.400 1.00 73.02 ATOM 1125 HN GLN 71 0.861 -27.234 21.727 1.00 37.53 ATOM 1126 CA GLN 71 -0.319 -27.014 19.975 1.00 11.14 ATOM 1127 HA GLN 71 -0.393 -26.007 19.589 1.00 14.13 ATOM 1128 CB GLN 71 0.805 -27.745 19.239 1.00 33.44 ATOM 1129 HB1 GLN 71 1.007 -28.673 19.757 1.00 37.53 ATOM 1130 HB2 GLN 71 1.694 -27.137 19.255 1.00 42.32 ATOM 1131 CG GLN 71 0.473 -28.070 17.792 1.00 62.22 ATOM 1132 HG1 GLN 71 0.310 -27.144 17.266 1.00 37.53 ATOM 1133 HG2 GLN 71 -0.424 -28.669 17.753 1.00 2.13 ATOM 1134 CD GLN 71 1.576 -28.849 17.101 1.00 14.32 ATOM 1135 OE1 GLN 71 1.972 -29.922 17.556 1.00 61.10 ATOM 1136 NE2 GLN 71 2.077 -28.311 15.996 1.00 44.33 ATOM 1137 HE21 GLN 71 1.727 -27.449 15.676 1.00 63.01 ATOM 1138 HE22 GLN 71 2.780 -28.809 15.531 1.00 44.14 ATOM 1139 C GLN 71 -1.646 -27.728 19.741 1.00 60.24 ATOM 1140 O GLN 71 -2.455 -27.299 18.919 1.00 13.11 ATOM 1141 N GLU 72 -1.861 -28.820 20.467 1.00 33.43 ATOM 1142 HN GLU 72 -1.166 -29.125 21.097 1.00 37.53 ATOM 1143 CA GLU 72 -3.090 -29.594 20.336 1.00 32.41 ATOM 1144 HA GLU 72 -3.087 -30.038 19.359 1.00 15.32 ATOM 1145 CB GLU 72 -3.135 -30.704 21.389 1.00 14.41 ATOM 1146 HB1 GLU 72 -3.876 -30.460 22.143 1.00 37.53 ATOM 1147 HB2 GLU 72 -2.171 -30.778 21.875 1.00 73.12 ATOM 1148 CG GLU 72 -3.459 -32.073 20.817 1.00 62.43 ATOM 1149 HG1 GLU 72 -2.540 -32.536 20.489 1.00 37.53 ATOM 1150 HG2 GLU 72 -4.126 -31.963 19.971 1.00 23.00 ATOM 1151 CD GLU 72 -4.124 -32.986 21.829 1.00 63.44 ATOM 1152 OE1 GLU 72 -3.729 -32.946 23.013 1.00 43.13 ATOM 1153 OE2 GLU 72 -5.038 -33.741 21.437 1.00 51.01 ATOM 1154 C GLU 72 -4.316 -28.696 20.474 1.00 32.45 ATOM 1155 O GLU 72 -5.283 -28.827 19.723 1.00 23.21 ATOM 1156 N ASP 73 -4.269 -27.785 21.440 1.00 22.42 ATOM 1157 HN ASP 73 -3.472 -27.734 22.019 1.00 37.53 ATOM 1158 CA ASP 73 -5.375 -26.865 21.678 1.00 45.22 ATOM 1159 HA ASP 73 -6.275 -27.450 21.822 1.00 54.12 ATOM 1160 CB ASP 73 -5.102 -26.017 22.921 1.00 31.14 ATOM 1161 HB1 ASP 73 -5.518 -25.027 22.793 1.00 37.53 ATOM 1162 HB2 ASP 73 -4.043 -25.928 23.084 1.00 62.31 ATOM 1163 CG ASP 73 -5.720 -26.610 24.173 1.00 41.33 ATOM 1164 OD1 ASP 73 -5.819 -25.886 25.185 1.00 1.40 ATOM 1165 OD2 ASP 73 -6.104 -27.798 24.140 1.00 44.11 ATOM 1166 C ASP 73 -5.598 -25.961 20.470 1.00 51.43 ATOM 1167 O ASP 73 -6.732 -25.603 20.150 1.00 10.12 ATOM 1168 N PHE 74 -4.509 -25.594 19.802 1.00 11.42 ATOM 1169 HN PHE 74 -3.626 -25.892 20.113 1.00 37.53 ATOM 1170 CA PHE 74 -4.586 -24.729 18.630 1.00 21.13 ATOM 1171 HA PHE 74 -5.213 -23.882 18.872 1.00 4.24 ATOM 1172 CB PHE 74 -3.191 -24.232 18.245 1.00 12.41 ATOM 1173 HB1 PHE 74 -3.124 -24.128 17.168 1.00 37.53 ATOM 1174 HB2 PHE 74 -2.449 -24.951 18.559 1.00 3.14 ATOM 1175 CG PHE 74 -2.839 -22.905 18.854 1.00 3.33 ATOM 1176 CD1 PHE 74 -2.240 -22.837 20.102 1.00 31.40 ATOM 1177 HD1 PHE 74 -2.024 -23.749 20.642 1.00 62.04 ATOM 1178 CD2 PHE 74 -3.106 -21.725 18.179 1.00 14.43 ATOM 1179 HD2 PHE 74 -3.572 -21.761 17.204 1.00 12.41 ATOM 1180 CE1 PHE 74 -1.914 -21.618 20.665 1.00 31.04 ATOM 1181 HE1 PHE 74 -1.448 -21.579 21.638 1.00 74.20 ATOM 1182 CE2 PHE 74 -2.782 -20.502 18.737 1.00 32.53 ATOM 1183 HE2 PHE 74 -2.997 -19.589 18.201 1.00 5.14 ATOM 1184 CZ PHE 74 -2.187 -20.449 19.982 1.00 25.04 ATOM 1185 HZ PHE 74 -1.933 -19.495 20.420 1.00 30.43 ATOM 1186 C PHE 74 -5.219 -25.464 17.453 1.00 71.43 ATOM 1187 O PHE 74 -6.207 -25.005 16.880 1.00 23.21 ATOM 1188 N GLU 75 -4.642 -26.608 17.097 1.00 30.13 ATOM 1189 HN GLU 75 -3.840 -26.905 17.585 1.00 37.53 ATOM 1190 CA GLU 75 -5.149 -27.406 15.987 1.00 31.11 ATOM 1191 HA GLU 75 -5.132 -26.793 15.096 1.00 52.11 ATOM 1192 CB GLU 75 -4.257 -28.628 15.760 1.00 73.54 ATOM 1193 HB1 GLU 75 -3.285 -28.306 15.448 1.00 37.53 ATOM 1194 HB2 GLU 75 -4.687 -29.231 14.969 1.00 55.33 ATOM 1195 CG GLU 75 -4.091 -29.499 16.994 1.00 50.21 ATOM 1196 HG1 GLU 75 -5.055 -29.720 17.419 1.00 37.53 ATOM 1197 HG2 GLU 75 -3.501 -28.968 17.704 1.00 53.34 ATOM 1198 CD GLU 75 -3.401 -30.815 16.691 1.00 11.22 ATOM 1199 OE1 GLU 75 -4.109 -31.813 16.442 1.00 42.23 ATOM 1200 OE2 GLU 75 -2.153 -30.846 16.704 1.00 44.14 ATOM 1201 C GLU 75 -6.585 -27.852 16.249 1.00 41.13 ATOM 1202 O GLU 75 -7.384 -27.981 15.322 1.00 14.41 ATOM 1203 N MET 76 -6.903 -28.086 17.517 1.00 35.55 ATOM 1204 HN MET 76 -6.218 -27.985 18.218 1.00 37.53 ATOM 1205 CA MET 76 -8.243 -28.517 17.902 1.00 63.34 ATOM 1206 HA MET 76 -8.483 -29.396 17.322 1.00 51.04 ATOM 1207 CB MET 76 -8.287 -28.847 19.395 1.00 41.21 ATOM 1208 HB1 MET 76 -9.244 -28.558 19.806 1.00 37.53 ATOM 1209 HB2 MET 76 -7.528 -28.278 19.907 1.00 3.43 ATOM 1210 CG MET 76 -8.061 -30.319 19.699 1.00 14.14 ATOM 1211 HG1 MET 76 -7.966 -30.439 20.768 1.00 37.53 ATOM 1212 HG2 MET 76 -7.147 -30.641 19.221 1.00 32.33 ATOM 1213 SD MET 76 -9.413 -31.363 19.122 1.00 53.34 ATOM 1214 CE MET 76 -10.791 -30.664 20.028 1.00 75.14 ATOM 1215 HE1 MET 76 -11.624 -31.351 20.001 1.00 44.32 ATOM 1216 HE2 MET 76 -11.083 -29.729 19.574 1.00 2.24 ATOM 1217 HE3 MET 76 -10.498 -30.492 21.053 1.00 62.44 ATOM 1218 C MET 76 -9.274 -27.442 17.575 1.00 12.04 ATOM 1219 O MET 76 -10.316 -27.727 16.986 1.00 50.24 ATOM 1220 N ALA 77 -8.977 -26.206 17.963 1.00 30.14 ATOM 1221 HN ALA 77 -8.128 -26.039 18.440 1.00 37.53 ATOM 1222 CA ALA 77 -9.878 -25.089 17.710 1.00 0.45 ATOM 1223 HA ALA 77 -10.810 -25.284 18.224 1.00 63.45 ATOM 1224 CB ALA 77 -9.293 -23.801 18.272 1.00 65.23 ATOM 1225 HB1 ALA 77 -9.857 -22.962 17.911 1.00 4.32 ATOM 1226 HB2 ALA 77 -8.265 -23.704 17.954 1.00 34.14 ATOM 1227 HB3 ALA 77 -9.334 -23.828 19.350 1.00 12.34 ATOM 1228 C ALA 77 -10.160 -24.938 16.220 1.00 54.34 ATOM 1229 O ALA 77 -11.269 -24.580 15.820 1.00 22.14 ATOM 1230 N VAL 78 -9.150 -25.212 15.400 1.00 55.21 ATOM 1231 HN VAL 78 -8.290 -25.506 15.776 1.00 37.53 ATOM 1232 CA VAL 78 -9.291 -25.107 13.952 1.00 5.14 ATOM 1233 HA VAL 78 -9.558 -24.084 13.712 1.00 34.15 ATOM 1234 CB VAL 78 -7.970 -25.445 13.235 1.00 73.12 ATOM 1235 HB VAL 78 -7.695 -26.459 13.477 1.00 14.15 ATOM 1236 CG1 VAL 78 -8.144 -25.353 11.726 1.00 24.34 ATOM 1237 HG11 VAL 78 -8.768 -26.161 11.374 1.00 42.34 ATOM 1238 HG12 VAL 78 -7.177 -25.430 11.260 1.00 74.33 ATOM 1239 HG13 VAL 78 -8.593 -24.405 11.461 1.00 2.24 ATOM 1240 CG2 VAL 78 -6.856 -24.525 13.709 1.00 42.43 ATOM 1241 HG21 VAL 78 -7.107 -23.501 13.469 1.00 34.10 ATOM 1242 HG22 VAL 78 -5.933 -24.791 13.213 1.00 4.31 ATOM 1243 HG23 VAL 78 -6.724 -24.620 14.763 1.00 52.40 ATOM 1244 C VAL 78 -10.387 -26.032 13.438 1.00 75.21 ATOM 1245 O VAL 78 -11.248 -25.620 12.660 1.00 5.44 ATOM 1246 N ALA 79 -10.351 -27.286 13.878 1.00 51.23 ATOM 1247 HN ALA 79 -9.633 -27.560 14.498 1.00 37.53 ATOM 1248 CA ALA 79 -11.344 -28.270 13.464 1.00 44.32 ATOM 1249 HA ALA 79 -11.323 -28.339 12.384 1.00 2.44 ATOM 1250 CB ALA 79 -10.996 -29.640 14.027 1.00 2.54 ATOM 1251 HB1 ALA 79 -10.003 -29.916 13.706 1.00 74.02 ATOM 1252 HB2 ALA 79 -11.705 -30.373 13.667 1.00 73.21 ATOM 1253 HB3 ALA 79 -11.027 -29.608 15.107 1.00 35.33 ATOM 1254 C ALA 79 -12.744 -27.855 13.903 1.00 41.02 ATOM 1255 O ALA 79 -13.738 -28.239 13.287 1.00 53.24 ATOM 1256 N LYS 80 -12.815 -27.070 14.972 1.00 14.50 ATOM 1257 HN LYS 80 -11.997 -26.816 15.451 1.00 37.53 ATOM 1258 CA LYS 80 -14.094 -26.602 15.494 1.00 2.52 ATOM 1259 HA LYS 80 -14.826 -27.393 15.378 1.00 64.34 ATOM 1260 CB LYS 80 -13.969 -26.269 16.983 1.00 71.12 ATOM 1261 HB1 LYS 80 -13.238 -25.481 17.106 1.00 37.53 ATOM 1262 HB2 LYS 80 -13.615 -27.154 17.494 1.00 34.01 ATOM 1263 CG LYS 80 -15.273 -25.814 17.616 1.00 62.23 ATOM 1264 HG1 LYS 80 -16.099 -26.334 17.145 1.00 37.53 ATOM 1265 HG2 LYS 80 -15.390 -24.751 17.456 1.00 70.02 ATOM 1266 CD LYS 80 -15.306 -26.117 19.104 1.00 25.23 ATOM 1267 HD1 LYS 80 -14.806 -27.053 19.303 1.00 37.53 ATOM 1268 HD2 LYS 80 -16.338 -26.196 19.413 1.00 54.13 ATOM 1269 CE LYS 80 -14.646 -25.011 19.913 1.00 51.40 ATOM 1270 HE1 LYS 80 -15.067 -24.063 19.609 1.00 37.53 ATOM 1271 HE2 LYS 80 -13.585 -25.016 19.713 1.00 34.30 ATOM 1272 NZ LYS 80 -14.867 -25.185 21.375 1.00 23.43 ATOM 1273 HZ1 LYS 80 -15.860 -24.980 21.610 1.00 62.45 ATOM 1274 HZ2 LYS 80 -14.258 -24.533 21.907 1.00 15.12 ATOM 1275 HZ3 LYS 80 -14.649 -26.159 21.668 1.00 64.11 ATOM 1276 C LYS 80 -14.579 -25.375 14.728 1.00 64.25 ATOM 1277 O LYS 80 -15.766 -25.246 14.429 1.00 31.54 ATOM 1278 N VAL 81 -13.652 -24.477 14.410 1.00 43.12 ATOM 1279 HN VAL 81 -12.716 -24.629 14.677 1.00 37.53 ATOM 1280 CA VAL 81 -13.984 -23.262 13.675 1.00 34.23 ATOM 1281 HA VAL 81 -14.802 -22.767 14.188 1.00 64.20 ATOM 1282 CB VAL 81 -12.789 -22.292 13.625 1.00 54.32 ATOM 1283 HB VAL 81 -11.966 -22.786 13.127 1.00 43.40 ATOM 1284 CG1 VAL 81 -13.147 -21.045 12.829 1.00 24.52 ATOM 1285 HG11 VAL 81 -14.062 -20.614 13.212 1.00 53.35 ATOM 1286 HG12 VAL 81 -13.275 -21.295 11.787 1.00 53.02 ATOM 1287 HG13 VAL 81 -12.353 -20.321 12.915 1.00 31.41 ATOM 1288 CG2 VAL 81 -12.341 -21.926 15.032 1.00 51.23 ATOM 1289 HG21 VAL 81 -12.914 -22.466 15.775 1.00 34.34 ATOM 1290 HG22 VAL 81 -12.461 -20.864 15.207 1.00 62.45 ATOM 1291 HG23 VAL 81 -11.298 -22.181 15.144 1.00 64.33 ATOM 1292 C VAL 81 -14.424 -23.584 12.251 1.00 12.14 ATOM 1293 O VAL 81 -15.311 -22.931 11.703 1.00 52.04 ATOM 1294 N MET 82 -13.798 -24.595 11.659 1.00 63.12 ATOM 1295 HN MET 82 -13.092 -25.086 12.141 1.00 37.53 ATOM 1296 CA MET 82 -14.126 -25.005 10.298 1.00 31.03 ATOM 1297 HA MET 82 -14.517 -24.151 9.757 1.00 34.31 ATOM 1298 CB MET 82 -12.871 -25.497 9.574 1.00 14.12 ATOM 1299 HB1 MET 82 -13.130 -25.689 8.545 1.00 37.53 ATOM 1300 HB2 MET 82 -12.546 -26.425 10.031 1.00 61.33 ATOM 1301 CG MET 82 -11.710 -24.518 9.637 1.00 54.44 ATOM 1302 HG1 MET 82 -11.116 -24.738 10.505 1.00 37.53 ATOM 1303 HG2 MET 82 -12.091 -23.508 9.711 1.00 33.52 ATOM 1304 SD MET 82 -10.645 -24.610 8.185 1.00 54.54 ATOM 1305 CE MET 82 -11.780 -24.091 6.899 1.00 20.12 ATOM 1306 HE1 MET 82 -11.220 -23.788 6.027 1.00 55.15 ATOM 1307 HE2 MET 82 -12.372 -23.260 7.253 1.00 42.52 ATOM 1308 HE3 MET 82 -12.431 -24.912 6.638 1.00 22.42 ATOM 1309 C MET 82 -15.188 -26.100 10.302 1.00 63.33 ATOM 1310 O MET 82 -15.939 -26.251 9.339 1.00 14.40 ATOM 1311 N GLN 83 -15.242 -26.862 11.390 1.00 53.04 ATOM 1312 HN GLN 83 -14.611 -26.723 12.129 1.00 37.53 ATOM 1313 CA GLN 83 -16.212 -27.944 11.516 1.00 4.22 ATOM 1314 HA GLN 83 -16.011 -28.467 12.439 1.00 12.41 ATOM 1315 CB GLN 83 -17.633 -27.381 11.562 1.00 51.44 ATOM 1316 HB1 GLN 83 -18.334 -28.208 11.506 1.00 37.53 ATOM 1317 HB2 GLN 83 -17.795 -26.735 10.715 1.00 51.52 ATOM 1318 CG GLN 83 -17.935 -26.593 12.826 1.00 35.45 ATOM 1319 HG1 GLN 83 -17.566 -25.585 12.701 1.00 37.53 ATOM 1320 HG2 GLN 83 -17.428 -27.056 13.664 1.00 11.23 ATOM 1321 CD GLN 83 -19.417 -26.545 13.144 1.00 52.05 ATOM 1322 OE1 GLN 83 -19.991 -27.518 13.633 1.00 31.05 ATOM 1323 NE2 GLN 83 -20.046 -25.409 12.865 1.00 5.22 ATOM 1324 HE21 GLN 83 -19.539 -24.663 12.473 1.00 53.24 ATOM 1325 HE22 GLN 83 -21.004 -25.359 13.064 1.00 34.11 ATOM 1326 C GLN 83 -16.080 -28.931 10.361 1.00 2.20 ATOM 1327 O GLN 83 -17.061 -29.255 9.692 1.00 33.43 ATOM 1328 N LYS 84 -14.860 -29.405 10.131 1.00 31.21 ATOM 1329 HN LYS 84 -14.113 -29.119 10.710 1.00 37.53 ATOM 1330 CA LYS 84 -14.598 -30.356 9.057 1.00 35.33 ATOM 1331 HA LYS 84 -15.294 -30.155 8.247 1.00 1.23 ATOM 1332 CB LYS 84 -13.175 -30.178 8.526 1.00 44.54 ATOM 1333 HB1 LYS 84 -12.473 -30.518 9.277 1.00 37.53 ATOM 1334 HB2 LYS 84 -12.999 -29.124 8.349 1.00 65.32 ATOM 1335 CG LYS 84 -12.903 -30.946 7.244 1.00 70.11 ATOM 1336 HG1 LYS 84 -13.397 -31.905 7.268 1.00 37.53 ATOM 1337 HG2 LYS 84 -11.835 -31.101 7.167 1.00 44.25 ATOM 1338 CD LYS 84 -13.378 -30.178 6.022 1.00 71.11 ATOM 1339 HD1 LYS 84 -13.032 -29.153 6.083 1.00 37.53 ATOM 1340 HD2 LYS 84 -14.457 -30.194 5.996 1.00 25.44 ATOM 1341 CE LYS 84 -12.847 -30.793 4.736 1.00 32.10 ATOM 1342 HE1 LYS 84 -12.971 -31.868 4.775 1.00 37.53 ATOM 1343 HE2 LYS 84 -11.798 -30.557 4.646 1.00 5.00 ATOM 1344 NZ LYS 84 -13.563 -30.275 3.537 1.00 22.50 ATOM 1345 HZ1 LYS 84 -14.579 -30.497 3.598 1.00 22.35 ATOM 1346 HZ2 LYS 84 -13.178 -30.714 2.677 1.00 4.43 ATOM 1347 HZ3 LYS 84 -13.447 -29.243 3.464 1.00 43.43 ATOM 1348 C LYS 84 -14.796 -31.790 9.540 1.00 41.30 ATOM 1349 O LYS 84 -14.385 -32.145 10.645 1.00 41.12 ATOM 1350 N ASP 85 -15.426 -32.609 8.705 1.00 43.30 ATOM 1351 HN ASP 85 -15.699 -32.272 7.822 1.00 37.53 ATOM 1352 CA ASP 85 -15.675 -34.005 9.046 1.00 51.42 ATOM 1353 HA ASP 85 -15.579 -34.133 10.118 1.00 2.42 ATOM 1354 CB ASP 85 -17.096 -34.404 8.644 1.00 41.20 ATOM 1355 HB1 ASP 85 -17.795 -33.882 9.281 1.00 37.53 ATOM 1356 HB2 ASP 85 -17.233 -35.469 8.775 1.00 24.43 ATOM 1357 CG ASP 85 -17.412 -34.048 7.205 1.00 52.52 ATOM 1358 OD1 ASP 85 -17.110 -34.866 6.311 1.00 1.43 ATOM 1359 OD2 ASP 85 -17.961 -32.950 6.972 1.00 75.22 ATOM 1360 C ASP 85 -14.664 -34.920 8.363 1.00 42.24 ATOM 1361 O ASP 85 -14.997 -36.030 7.947 1.00 13.45 ATOM 1362 N SER 86 -13.427 -34.446 8.249 1.00 71.14 ATOM 1363 HN SER 86 -13.192 -33.582 8.642 1.00 37.53 ATOM 1364 HA SER 86 -12.808 -35.847 6.843 1.00 4.21 ATOM 1365 CB SER 86 -11.354 -34.286 6.947 1.00 55.20 ATOM 1366 HB1 SER 86 -11.851 -33.714 6.178 1.00 37.53 ATOM 1367 HB2 SER 86 -10.558 -34.867 6.501 1.00 62.32 ATOM 1368 OG SER 86 -10.795 -33.387 7.889 1.00 14.11 ATOM 1369 HG SER 86 -10.099 -33.828 8.383 1.00 23.33 ATOM 1370 CA SER 86 -12.368 -35.220 7.611 1.00 0.33 ATOM 1371 C SER 86 -11.663 -36.115 8.626 1.00 10.41 ATOM 1372 OT1 SER 86 -11.173 -35.585 9.648 1.00 37.53 ATOM 1373 OT2 SER 86 -11.605 -37.341 8.393 1.00 37.53 ATOM 1374 OH2 TIP3 1 -20.512 -38.462 2.266 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -20.550 -39.108 2.971 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -20.835 -38.928 1.495 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.806 -35.523 0.568 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.247 -36.243 1.018 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.819 -34.802 1.198 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.695 -30.418 0.780 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.075 -31.095 0.507 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -19.903 -30.636 1.688 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -22.123 -36.029 2.672 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -21.819 -36.715 2.078 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -21.401 -35.911 3.290 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -18.982 -41.635 3.000 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -18.839 -42.582 3.020 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -19.088 -41.428 2.071 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -13.068 -42.950 5.769 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -13.757 -42.292 5.674 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -13.053 -43.147 6.706 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -24.448 -36.940 4.634 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -25.188 -36.342 4.737 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -23.734 -36.386 4.318 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -18.042 -31.902 -0.459 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -17.617 -32.609 -0.944 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -17.725 -31.101 -0.876 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -16.883 -34.001 -1.950 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -17.140 -34.691 -2.562 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -16.812 -34.444 -1.105 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -13.355 -39.095 4.593 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -14.007 -38.400 4.682 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -12.890 -38.885 3.783 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.421 -40.089 6.319 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.341 -39.326 6.891 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -18.022 -39.810 5.628 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -24.426 -34.465 7.484 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -24.738 -33.683 7.940 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -25.076 -34.618 6.798 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -15.490 -41.261 8.584 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -15.897 -40.780 7.864 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -15.449 -42.166 8.277 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -17.733 -42.929 6.805 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -18.247 -43.055 7.602 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -17.888 -42.017 6.560 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -20.996 -40.629 8.889 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -21.559 -41.333 9.209 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -20.170 -40.749 9.356 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -19.830 -39.720 4.886 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -19.506 -40.351 4.243 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -20.270 -40.255 5.547 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.042 -36.220 6.893 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.388 -36.601 7.699 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -21.242 -35.286 6.964 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -23.412 -39.131 8.953 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -23.708 -39.297 8.058 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -22.481 -39.351 8.943 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -17.605 -37.919 2.697 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.533 -38.151 2.670 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -17.154 -38.696 2.367 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -23.120 -31.779 4.721 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -22.757 -30.924 4.488 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -22.588 -32.071 5.462 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.336 -43.881 7.140 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.252 -43.618 7.052 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.000 -43.884 6.243 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -16.734 -40.130 1.236 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -17.531 -40.545 0.907 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -16.289 -40.821 1.727 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -25.336 -31.284 10.706 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -24.568 -31.743 11.047 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -25.357 -31.510 9.776 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -23.371 -36.423 9.473 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -23.699 -36.152 8.615 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -23.219 -37.364 9.385 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.227 -37.713 10.112 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -19.274 -37.629 10.084 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -20.387 -38.424 10.731 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -22.913 -39.020 5.649 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -22.162 -39.176 5.076 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -23.252 -38.168 5.373 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -18.497 -41.205 10.677 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -18.305 -42.136 10.566 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -17.640 -40.780 10.667 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -13.463 -35.772 2.933 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -12.629 -36.150 2.652 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -13.351 -34.829 2.814 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -15.084 -41.135 5.222 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -15.927 -40.867 5.588 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -14.641 -40.313 5.011 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -13.281 -45.046 8.925 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -14.198 -44.775 8.889 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -13.158 -45.581 8.141 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.193 -30.134 -1.341 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -15.540 -30.481 -1.949 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -15.682 -29.645 -0.695 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -21.543 -30.831 8.420 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -21.358 -31.165 9.298 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.696 -30.522 8.098 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -21.274 -29.486 3.714 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -21.731 -28.957 3.060 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -21.111 -28.883 4.439 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -14.213 -30.354 -3.333 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -14.407 -31.102 -3.898 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -14.252 -29.596 -3.917 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -16.806 -35.523 19.424 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -17.247 -36.243 19.874 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -16.819 -34.802 20.054 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -19.695 -30.418 19.636 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.075 -31.095 19.363 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.903 -30.636 20.544 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -16.294 -33.683 21.772 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -17.236 -33.625 21.933 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -16.018 -32.777 21.635 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.042 -31.902 18.397 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -17.617 -32.609 17.912 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -17.725 -31.101 17.980 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -16.883 -34.001 16.906 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -17.140 -34.691 16.294 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -16.812 -34.444 17.751 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.197 -35.435 25.383 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -15.057 -36.026 24.644 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.029 -34.562 25.027 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -20.670 -40.015 12.194 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -19.969 -39.993 12.845 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -20.368 -40.643 11.538 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -18.997 -33.361 22.357 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -19.238 -32.699 23.005 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -19.195 -34.195 22.782 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -18.447 -39.101 13.792 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -17.868 -38.951 14.539 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -18.033 -38.630 13.069 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -20.721 -32.364 17.227 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -20.247 -32.069 18.005 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -21.284 -31.626 16.994 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -16.970 -38.068 11.422 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -16.928 -38.291 10.492 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -16.121 -37.670 11.612 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -20.436 -34.945 13.537 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -20.731 -34.119 13.919 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -21.139 -35.565 13.733 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.792 -33.758 25.699 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -19.693 -33.575 25.431 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -18.758 -33.499 26.620 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -13.061 -41.513 14.066 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -13.615 -41.909 13.394 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -12.960 -40.603 13.789 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -13.097 -35.713 26.903 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -13.949 -35.475 26.536 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -12.507 -35.730 26.150 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -24.951 -30.906 16.807 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -25.901 -30.801 16.859 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -24.600 -30.086 17.152 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -16.507 -36.078 14.578 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -16.784 -36.806 15.134 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -15.580 -35.959 14.784 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -23.282 -33.639 10.799 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -23.043 -34.387 10.251 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -23.551 -34.027 11.631 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -24.345 -34.069 13.255 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -24.198 -34.589 14.045 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -24.348 -33.162 13.561 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -21.607 -32.371 14.004 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -22.424 -31.874 14.057 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -21.078 -31.896 13.364 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -24.269 -31.328 13.986 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -24.108 -30.528 13.485 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -24.466 -31.021 14.871 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -15.647 -30.874 21.714 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -15.803 -30.196 21.057 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.715 -30.802 21.917 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -21.244 -31.776 10.937 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -21.888 -32.407 11.259 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -20.482 -32.307 10.705 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.759 -32.904 28.291 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -19.110 -33.760 28.534 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -18.033 -32.761 28.898 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -17.636 -36.507 25.712 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -16.891 -35.919 25.592 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -18.393 -35.925 25.775 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -23.567 -29.143 12.598 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -22.634 -28.985 12.742 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -23.831 -28.468 11.973 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -14.917 -34.867 29.503 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -15.783 -34.972 29.897 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -14.541 -34.108 29.950 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -13.616 -36.610 15.017 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -12.766 -36.189 15.145 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -13.611 -37.350 15.625 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -13.463 -35.772 21.789 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -12.629 -36.150 21.508 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -13.351 -34.829 21.670 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -14.976 -32.894 24.096 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -15.624 -32.569 24.721 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -15.494 -33.334 23.421 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -12.954 -38.656 13.232 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -13.475 -38.299 12.513 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -12.987 -37.981 13.910 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -14.605 -41.416 11.783 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.508 -40.749 11.103 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.745 -42.232 11.301 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -16.193 -30.134 17.515 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.540 -30.481 16.907 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.682 -29.645 18.161 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -19.198 -29.546 26.520 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -18.521 -30.178 26.280 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -18.876 -29.144 27.328 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -21.274 -29.486 22.570 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -21.731 -28.957 21.916 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -21.111 -28.883 23.295 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -18.947 -30.608 23.515 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -19.851 -30.443 23.249 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -18.518 -29.755 23.449 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -16.342 -29.038 23.810 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -16.524 -28.122 23.599 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -16.166 -29.448 22.963 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -13.559 -32.985 30.838 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -13.486 -32.046 31.008 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -12.654 -33.290 30.781 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -18.147 -30.254 31.501 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -17.772 -30.998 31.030 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -18.143 -30.524 32.419 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -14.765 -32.727 33.387 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.138 -33.553 33.697 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -14.488 -32.910 32.490 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -17.373 -34.751 31.208 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -17.020 -35.131 32.012 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -18.322 -34.844 31.294 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -15.647 -30.874 40.570 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -15.803 -30.196 39.913 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -14.715 -30.802 40.773 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -16.640 -31.959 30.027 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -16.357 -32.753 30.480 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -15.900 -31.726 29.466 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.931 -30.224 40.799 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -12.953 -30.039 41.738 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -12.241 -29.655 40.458 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.193 -30.134 36.371 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -15.540 -30.481 35.763 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.682 -29.645 37.017 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -16.342 -29.038 42.666 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.524 -28.122 42.455 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -16.166 -29.448 41.819 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -14.213 -30.354 34.379 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -14.407 -31.102 33.814 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.252 -29.596 33.795 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.917 -16.011 -8.209 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.783 -16.116 -7.815 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -14.541 -15.252 -7.762 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -16.806 -16.667 0.568 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -17.247 -17.387 1.018 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -16.819 -15.946 1.198 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -18.982 -22.779 3.000 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -18.839 -23.726 3.020 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -19.088 -22.572 2.071 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.341 -25.256 0.654 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -16.556 -26.022 1.186 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.685 -24.784 1.167 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -16.294 -14.827 2.916 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -17.236 -14.769 3.077 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -16.018 -13.921 2.779 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -15.994 -26.541 4.333 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -16.730 -25.930 4.295 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -15.310 -26.126 3.807 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -18.042 -13.046 -0.459 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -17.617 -13.753 -0.944 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -17.725 -12.245 -0.876 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -16.883 -15.145 -1.950 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.140 -15.835 -2.562 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -16.812 -15.588 -1.105 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -17.421 -21.233 6.319 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.341 -20.470 6.891 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -18.022 -20.954 5.628 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -18.997 -14.505 3.501 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -19.238 -13.843 4.149 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -19.195 -15.339 3.926 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -13.559 -14.129 -6.874 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -13.486 -13.190 -6.704 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -12.654 -14.434 -6.931 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -18.478 -11.472 -3.462 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -19.413 -11.372 -3.283 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -18.198 -12.181 -2.884 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -21.059 -27.829 5.951 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -20.639 -28.244 6.704 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -21.992 -28.007 6.068 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -20.996 -21.773 8.889 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -21.559 -22.477 9.209 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -20.170 -21.893 9.356 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -19.830 -20.864 4.886 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -19.506 -21.495 4.243 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -20.270 -21.399 5.547 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -18.647 -25.702 2.934 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -19.324 -25.571 3.598 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -19.133 -25.857 2.124 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -15.360 -10.030 9.211 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -15.160 -9.606 8.376 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -14.704 -9.687 9.818 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -21.042 -17.364 6.893 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -21.388 -17.745 7.699 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -21.242 -16.430 6.964 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -23.412 -20.275 8.953 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -23.708 -20.441 8.058 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -22.481 -20.495 8.943 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -18.792 -14.902 6.843 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -19.693 -14.719 6.575 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -18.758 -14.643 7.764 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -13.061 -22.657 -4.790 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -13.615 -23.053 -5.462 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -12.960 -21.747 -5.067 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.765 -13.871 -4.325 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -15.138 -14.697 -4.015 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -14.488 -14.054 -5.222 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.605 -19.063 2.697 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.533 -19.295 2.670 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -17.154 -19.840 2.367 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -19.576 -16.824 4.422 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -20.002 -17.051 5.248 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -18.995 -17.562 4.239 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -16.917 -12.272 6.891 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.519 -12.827 6.396 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -16.636 -11.605 6.265 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.869 -11.415 -6.303 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -12.126 -10.829 -6.443 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -13.564 -10.847 -5.970 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -16.507 -17.222 -4.278 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -16.784 -17.950 -3.722 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -15.580 -17.103 -4.072 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -20.060 -25.298 5.188 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -19.362 -25.224 5.838 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.441 -26.162 5.343 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -21.540 -22.932 6.305 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -21.421 -22.358 7.062 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -20.885 -23.620 6.420 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -16.734 -21.274 1.236 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -17.531 -21.689 0.907 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -16.289 -21.965 1.727 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -15.647 -12.018 2.858 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -15.803 -11.340 2.201 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -14.715 -11.946 3.061 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -18.759 -14.048 9.435 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -19.110 -14.904 9.678 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -18.033 -13.905 10.042 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -20.227 -18.857 10.112 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -19.274 -18.773 10.084 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -20.387 -19.568 10.731 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -24.907 -23.973 7.917 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -24.757 -24.702 7.314 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -24.905 -23.196 7.358 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -26.429 -22.775 9.828 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -27.196 -23.307 9.618 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -25.750 -23.085 9.229 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -23.689 -28.147 5.841 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -23.787 -27.200 5.735 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -24.432 -28.519 5.365 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -22.425 -23.825 9.404 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -22.661 -24.045 10.306 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -23.208 -24.032 8.895 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -19.709 -24.698 8.480 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -20.657 -24.666 8.612 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -19.397 -25.323 9.134 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -23.467 -28.853 8.512 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -22.755 -29.493 8.498 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -23.568 -28.586 7.598 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -23.114 -27.170 10.566 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -23.245 -27.646 9.745 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -23.713 -26.426 10.510 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -13.616 -17.754 -3.839 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -12.766 -17.333 -3.711 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -13.611 -18.494 -3.231 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -13.222 -19.701 -2.015 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -13.948 -20.180 -1.617 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -12.641 -19.495 -1.283 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -13.463 -16.916 2.933 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -12.629 -17.294 2.652 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -13.351 -15.973 2.814 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -12.954 -19.800 -5.624 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.475 -19.443 -6.343 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.987 -19.125 -4.946 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -15.435 -21.180 -1.452 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -15.585 -22.125 -1.472 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -15.789 -20.899 -0.608 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.113 -23.016 2.446 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -14.180 -22.804 2.412 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -15.348 -22.914 3.369 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.111 -26.334 -2.941 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -14.929 -26.783 -2.116 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.711 -26.919 -3.405 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -16.193 -11.278 -1.341 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.540 -11.625 -1.949 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -15.682 -10.789 -0.695 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.198 -10.690 7.664 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -18.521 -11.322 7.424 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -18.876 -10.288 8.472 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -18.947 -11.752 4.659 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -19.851 -11.587 4.393 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -18.518 -10.899 4.593 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -16.342 -10.182 4.954 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -16.524 -9.266 4.743 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -16.166 -10.592 4.107 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -13.981 -27.405 -0.487 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -13.369 -27.919 -1.014 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -13.598 -26.527 -0.464 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.387 -28.060 0.351 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -18.311 -27.965 -0.598 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -18.663 -28.968 0.480 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -14.213 -11.498 -3.333 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.407 -12.246 -3.898 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.252 -10.740 -3.917 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -26.593 -28.152 9.942 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -25.694 -28.426 9.757 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -26.979 -28.895 10.406 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.445 -18.861 17.703 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.356 -17.917 17.571 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -20.084 -19.136 17.045 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -20.512 -19.606 21.122 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -20.550 -20.252 21.827 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -20.835 -20.072 20.351 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -16.806 -16.667 19.424 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.247 -17.387 19.874 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -16.819 -15.946 20.054 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -18.982 -22.779 21.856 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -18.839 -23.726 21.876 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -19.088 -22.572 20.927 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -16.294 -14.827 21.772 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -17.236 -14.769 21.933 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -16.018 -13.921 21.635 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -22.991 -28.454 20.655 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -23.108 -29.403 20.601 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -23.846 -28.122 20.928 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.042 -13.046 18.397 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.617 -13.753 17.912 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -17.725 -12.245 17.980 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -16.883 -15.145 16.906 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -17.140 -15.835 16.294 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -16.812 -15.588 17.751 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -20.724 -19.617 15.155 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -21.436 -19.082 14.804 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -20.033 -19.561 14.495 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.670 -21.159 12.194 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -19.969 -21.137 12.845 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -20.368 -21.787 11.538 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -17.318 -19.407 16.107 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -18.050 -19.179 16.680 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -16.871 -20.121 16.562 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -18.997 -14.505 22.357 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -19.238 -13.843 23.005 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -19.195 -15.339 22.782 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.447 -20.245 13.792 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -17.868 -20.095 14.539 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.033 -19.774 13.069 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -12.642 -13.898 26.960 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -12.691 -14.853 26.923 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -13.468 -13.630 27.362 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -18.147 -11.398 12.645 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -17.772 -12.142 12.174 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -18.143 -11.668 13.563 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -18.478 -11.472 15.394 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -19.413 -11.372 15.573 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -18.198 -12.181 15.972 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -21.059 -27.829 24.807 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -20.639 -28.244 25.560 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -21.992 -28.007 24.924 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -17.733 -24.073 25.661 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.247 -24.199 26.458 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -17.888 -23.161 25.416 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -25.634 -22.364 17.440 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -26.527 -22.705 17.381 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -25.183 -22.741 16.684 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -20.098 -21.948 16.257 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -20.507 -21.133 15.965 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.378 -22.088 15.642 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.996 -21.773 27.745 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -21.559 -22.477 28.065 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -20.170 -21.893 28.212 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.094 -22.502 19.071 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.289 -21.897 18.356 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -18.912 -23.336 18.636 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -24.515 -24.891 11.193 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -24.946 -25.336 11.923 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -25.233 -24.519 10.681 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.830 -20.864 23.742 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.506 -21.495 23.099 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -20.270 -21.399 24.403 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -23.052 -24.937 18.526 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -23.963 -24.880 18.815 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -22.547 -24.997 19.337 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -24.571 -23.308 15.009 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -23.639 -23.179 15.187 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -24.786 -22.638 14.360 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -25.897 -22.113 12.576 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -26.439 -22.493 11.885 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -25.063 -21.919 12.147 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -21.732 -22.149 20.413 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -21.168 -22.696 19.866 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -21.880 -22.671 21.202 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -26.730 -26.013 16.831 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -27.047 -26.915 16.796 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -25.949 -26.011 16.279 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -21.042 -17.364 25.749 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -21.388 -17.745 26.555 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -21.242 -16.430 25.820 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -20.436 -16.089 13.537 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -20.731 -15.263 13.919 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -21.139 -16.709 13.733 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -18.792 -14.902 25.699 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -19.693 -14.719 25.431 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -18.758 -14.643 26.620 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -19.576 -16.824 23.278 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -20.002 -17.051 24.104 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -18.995 -17.562 23.095 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.373 -15.895 12.352 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -17.020 -16.275 13.156 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -18.322 -15.988 12.438 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -16.917 -12.272 25.747 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -17.519 -12.827 25.252 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -16.636 -11.605 25.121 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.507 -17.222 14.578 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.784 -17.950 15.134 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.580 -17.103 14.784 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -20.060 -25.298 24.044 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.362 -25.224 24.694 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.441 -26.162 24.199 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -22.076 -23.918 15.976 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -21.264 -23.414 16.022 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -22.321 -24.063 16.890 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -21.540 -22.932 25.161 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -21.421 -22.358 25.918 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -20.885 -23.620 25.276 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -25.535 -25.774 13.602 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -25.618 -24.885 13.948 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -24.645 -26.039 13.833 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -15.336 -25.025 25.996 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -16.252 -24.762 25.908 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -15.000 -25.028 25.099 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -15.647 -12.018 21.714 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -15.803 -11.340 21.057 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -14.715 -11.946 21.917 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -21.244 -12.920 10.937 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -21.888 -13.551 11.259 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -20.482 -13.451 10.705 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -20.333 -16.146 10.764 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -20.601 -15.966 11.665 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -20.539 -17.072 10.633 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -17.636 -17.651 25.712 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -16.891 -17.063 25.592 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -18.393 -17.069 25.775 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -24.536 -19.221 13.334 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -24.995 -19.705 14.020 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -24.281 -19.889 12.698 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -23.465 -20.978 11.597 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -23.645 -21.132 10.669 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -22.514 -20.870 11.641 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -20.227 -18.857 28.968 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -19.274 -18.773 28.940 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -20.387 -19.568 29.587 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -18.497 -22.349 29.533 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -18.305 -23.280 29.422 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -17.640 -21.924 29.523 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -19.709 -24.698 27.336 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -20.657 -24.666 27.468 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -19.397 -25.323 27.990 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.075 -26.064 29.341 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.172 -27.016 29.335 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -18.397 -25.795 30.202 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -12.931 -11.368 21.943 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -12.953 -11.183 22.882 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -12.241 -10.799 21.602 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -13.368 -11.801 24.865 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -13.855 -12.536 24.494 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -12.819 -12.194 25.543 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -14.917 -16.011 29.503 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -15.783 -16.116 29.897 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -14.541 -15.252 29.950 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -14.976 -14.038 24.096 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.624 -13.713 24.721 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -15.494 -14.478 23.421 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -16.193 -11.278 17.515 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -15.540 -11.625 16.907 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -15.682 -10.789 18.161 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -20.850 -26.651 19.923 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -21.525 -27.280 20.178 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -20.286 -27.135 19.320 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -23.944 -28.090 17.558 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -23.070 -27.702 17.528 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -24.080 -28.305 18.481 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -27.826 -26.303 11.991 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -27.335 -26.933 11.463 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -27.203 -26.007 12.654 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.171 -28.820 28.980 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -18.095 -29.246 29.834 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -17.278 -28.806 28.638 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -14.995 -12.747 27.673 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -15.777 -12.933 27.153 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -15.067 -11.818 27.890 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.982 -22.779 40.712 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -18.839 -23.726 40.732 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -19.088 -22.572 39.783 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.105 -24.547 36.385 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -17.459 -24.876 37.010 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -17.595 -24.029 35.762 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -13.068 -24.094 43.481 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -13.757 -23.436 43.386 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -13.053 -24.291 44.418 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.994 -26.541 42.045 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -16.730 -25.930 42.007 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.310 -26.126 41.519 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -13.355 -20.239 42.305 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -14.007 -19.544 42.394 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -12.890 -20.029 41.495 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -17.318 -19.407 34.963 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -18.050 -19.179 35.536 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -16.871 -20.121 35.418 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -18.447 -20.245 32.648 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -17.868 -20.095 33.395 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -18.033 -19.774 31.925 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -13.559 -14.129 30.838 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -13.486 -13.190 31.008 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -12.654 -14.434 30.781 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -16.970 -19.212 30.278 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.928 -19.435 29.348 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -16.121 -18.814 30.468 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -19.094 -22.502 37.927 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.289 -21.897 37.212 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -18.912 -23.336 37.492 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -18.647 -25.702 40.646 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -19.324 -25.571 41.310 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -19.133 -25.857 39.836 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -15.412 -18.415 42.154 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -14.770 -17.958 41.611 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -16.242 -18.302 41.692 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.664 -24.734 31.567 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -19.602 -24.622 31.416 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.367 -23.877 31.873 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -17.946 -22.867 33.228 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -17.054 -23.004 33.547 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -17.889 -22.076 32.691 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -17.373 -15.895 31.208 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.020 -16.275 32.012 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -18.322 -15.988 31.294 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -16.507 -17.222 33.434 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -16.784 -17.950 33.990 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -15.580 -17.103 33.640 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -19.276 -25.646 33.997 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -19.056 -25.174 33.194 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -18.718 -25.251 34.668 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -15.336 -25.025 44.852 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -16.252 -24.762 44.764 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -15.000 -25.028 43.955 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.734 -21.274 38.948 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.531 -21.689 38.619 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.289 -21.965 39.439 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -13.616 -17.754 33.873 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -12.766 -17.333 34.001 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -13.611 -18.494 34.481 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.222 -19.701 35.697 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -13.948 -20.180 36.095 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -12.641 -19.495 36.429 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -13.463 -16.916 40.645 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.629 -17.294 40.364 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -13.351 -15.973 40.526 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -12.954 -19.800 32.088 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -13.475 -19.443 31.369 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.987 -19.125 32.766 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -14.605 -22.560 30.639 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.508 -21.893 29.959 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -14.745 -23.376 30.157 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.435 -21.180 36.260 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -15.585 -22.125 36.240 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.789 -20.899 37.104 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.725 -23.597 34.722 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.445 -24.504 34.847 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -14.966 -23.163 34.333 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -15.084 -22.279 42.934 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -15.927 -22.011 43.300 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.641 -21.457 42.723 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -14.280 -28.100 44.456 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -15.093 -27.775 44.068 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -14.047 -28.860 43.923 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.708 -28.544 38.891 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.104 -27.996 38.390 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -16.577 -28.224 38.651 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -18.387 -28.060 38.063 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -18.311 -27.965 37.114 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -18.663 -28.968 38.192 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -17.034 -28.034 33.756 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -17.737 -27.420 33.546 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -17.479 -28.872 33.887 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -13.068 -5.238 -13.087 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -13.757 -4.580 -13.182 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -13.053 -5.435 -12.150 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -13.097 1.999 -10.809 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -13.949 2.237 -11.176 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -12.507 1.982 -11.562 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -13.082 -2.451 -9.985 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -13.945 -2.830 -10.150 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -12.478 -3.190 -10.059 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -12.801 -9.443 -8.280 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -12.451 -10.097 -8.886 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -12.654 -8.606 -8.720 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -16.806 2.189 0.568 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -17.247 1.469 1.018 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -16.819 2.910 1.198 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -18.105 -5.691 -1.327 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -17.459 -6.020 -0.702 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.595 -5.173 -1.950 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -13.068 -5.238 5.769 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.757 -4.580 5.674 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -13.053 -5.435 6.706 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -16.341 -6.400 0.654 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -16.556 -7.166 1.186 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.685 -5.928 1.167 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -15.994 -7.685 4.333 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -16.730 -7.074 4.295 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -15.310 -7.270 3.807 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -13.355 -1.383 4.593 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -14.007 -0.688 4.682 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -12.890 -1.173 3.783 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -17.318 -0.551 -2.749 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -18.050 -0.323 -2.176 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -16.871 -1.265 -2.294 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -14.749 -9.639 -5.251 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.648 -9.500 -4.956 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -14.497 -8.808 -5.653 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -13.559 4.727 -6.874 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.486 5.666 -6.704 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.654 4.422 -6.931 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -18.647 -6.846 2.934 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -19.324 -6.715 3.598 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.133 -7.001 2.124 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.412 0.441 4.442 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -14.770 0.898 3.899 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -16.242 0.554 3.980 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.061 -3.801 -4.790 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -13.615 -4.197 -5.462 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -12.960 -2.891 -5.067 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.336 -6.169 7.140 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.252 -5.906 7.052 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -15.000 -6.172 6.243 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -16.734 -2.418 1.236 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -17.531 -2.833 0.907 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -16.289 -3.109 1.727 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -14.075 0.233 -7.814 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -14.348 -0.192 -8.627 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.035 1.164 -8.031 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -18.075 -7.208 10.485 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -18.172 -8.160 10.479 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -18.397 -6.939 11.346 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.616 1.102 -3.839 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -12.766 1.523 -3.711 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -13.611 0.362 -3.231 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -13.463 1.940 2.933 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -12.629 1.562 2.652 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -13.351 2.883 2.814 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -12.954 -0.944 -5.624 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -13.475 -0.587 -6.343 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -12.987 -0.269 -4.946 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.605 -3.704 -7.073 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -14.508 -3.037 -7.753 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.745 -4.520 -7.555 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.435 -2.324 -1.452 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -15.585 -3.269 -1.472 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -15.789 -2.043 -0.608 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -15.725 -4.741 -2.990 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -15.445 -5.648 -2.865 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -14.966 -4.307 -3.379 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -15.113 -4.160 2.446 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.180 -3.948 2.412 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.348 -4.058 3.369 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -15.084 -3.423 5.222 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.927 -3.155 5.588 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -14.641 -2.601 5.011 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -15.111 -7.478 -2.941 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.929 -7.927 -2.116 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -15.711 -8.063 -3.405 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.281 -7.334 8.925 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.198 -7.063 8.889 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -13.158 -7.869 8.141 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -13.245 -7.411 -6.413 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -12.832 -8.132 -6.889 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -12.563 -6.741 -6.355 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -14.280 -9.244 6.744 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.093 -8.919 6.356 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -14.047 -10.004 6.211 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -18.387 -9.204 0.351 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -18.311 -9.109 -0.598 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -18.663 -10.112 0.480 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -17.034 -9.178 -3.956 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -17.737 -8.564 -4.166 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -17.479 -10.016 -3.825 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -18.171 -9.964 10.124 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -18.095 -10.390 10.978 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.278 -9.950 9.782 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.460 -6.716 22.389 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.411 -6.106 23.125 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.034 -6.255 21.666 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -16.341 -6.400 19.510 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -16.556 -7.166 20.042 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.685 -5.928 20.023 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -14.749 -9.639 13.605 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.648 -9.500 13.900 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -14.497 -8.808 13.203 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -13.061 -3.801 14.066 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -13.615 -4.197 13.394 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -12.960 -2.891 13.789 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.357 -6.296 10.900 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.747 -6.668 11.537 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -16.194 -6.718 11.096 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -15.725 -4.741 15.866 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -15.445 -5.648 15.991 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -14.966 -4.307 15.477 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -15.111 -7.478 15.915 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.929 -7.927 16.740 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -15.711 -8.063 15.451 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -13.245 -7.411 12.443 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -12.832 -8.132 11.967 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -12.563 -6.741 12.501 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -15.708 -9.688 20.035 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -15.104 -9.140 19.534 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.577 -9.368 19.795 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -18.387 -9.204 19.207 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -18.311 -9.109 18.258 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -18.663 -10.112 19.336 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -17.034 -9.178 14.900 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -17.737 -8.564 14.690 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -17.479 -10.016 15.031 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -9.288 -38.847 3.859 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -9.246 -39.473 4.583 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -8.585 -38.224 4.041 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -8.364 -34.397 2.394 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -8.734 -35.199 2.025 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -7.423 -34.566 2.441 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -0.839 -30.418 0.780 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -0.219 -31.095 0.507 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -1.047 -30.636 1.688 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -5.592 -36.940 4.634 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -6.332 -36.342 4.737 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -4.878 -36.386 4.318 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -7.184 -34.976 5.421 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -7.190 -34.097 5.043 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -8.038 -35.059 5.846 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 2.562 -33.683 2.916 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 1.620 -33.625 3.077 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 2.838 -32.777 2.779 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 3.659 -35.435 6.527 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 3.799 -36.026 5.788 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 3.827 -34.562 6.171 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -5.450 -34.205 1.815 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -5.545 -34.783 1.058 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -4.721 -34.576 2.311 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -6.450 -38.864 2.767 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -5.885 -38.743 2.004 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -6.131 -38.227 3.406 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -0.141 -33.361 3.501 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -0.382 -32.699 4.149 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -0.339 -34.195 3.926 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -5.570 -34.465 7.484 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -5.882 -33.683 7.940 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -6.220 -34.618 6.798 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 6.214 -32.754 8.104 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 6.165 -33.709 8.067 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 5.388 -32.486 8.506 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -2.807 -33.180 6.980 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -2.720 -32.354 7.455 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -3.671 -33.510 7.229 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -8.739 -30.619 -1.433 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -8.587 -30.967 -0.554 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -9.590 -30.975 -1.688 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -6.775 -41.441 3.672 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -7.417 -41.482 4.381 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -6.738 -40.515 3.434 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -9.025 -41.121 5.539 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -9.063 -40.721 6.407 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -9.516 -41.938 5.629 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -2.186 -36.220 6.893 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -2.532 -36.601 7.699 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -2.386 -35.286 6.964 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -8.581 -37.109 1.425 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -7.836 -37.111 0.824 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -8.503 -37.933 1.907 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -4.556 -39.131 8.953 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -4.852 -39.297 8.058 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -3.625 -39.351 8.943 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 0.064 -33.758 6.843 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -0.837 -33.575 6.575 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 0.098 -33.499 7.764 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 5.759 -35.713 8.047 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 4.907 -35.475 7.680 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 6.349 -35.730 7.294 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -4.264 -31.779 4.721 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -3.901 -30.924 4.488 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -3.732 -32.071 5.462 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -6.095 -30.906 -2.049 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -7.045 -30.801 -1.997 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -5.744 -30.086 -1.704 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -9.939 -43.895 6.298 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -10.832 -43.556 6.231 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -10.038 -44.750 6.716 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 3.209 -30.874 2.858 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 3.053 -30.196 2.201 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 4.141 -30.802 3.061 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -10.366 -32.816 -2.244 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -11.198 -32.343 -2.217 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -9.820 -32.306 -2.843 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 0.097 -32.904 9.435 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -0.254 -33.760 9.678 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 0.823 -32.761 10.042 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -4.515 -36.423 9.473 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -4.843 -36.152 8.615 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -4.363 -37.364 9.385 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 1.220 -36.507 6.856 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 1.965 -35.919 6.736 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 0.463 -35.925 6.919 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -6.391 -40.184 6.834 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -7.009 -39.509 7.115 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.047 -39.863 6.001 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -1.371 -37.713 10.112 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -0.418 -37.629 10.084 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -1.531 -38.424 10.731 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -6.051 -42.829 7.917 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -5.901 -43.558 7.314 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -6.049 -42.052 7.358 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -7.573 -41.631 9.828 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -8.340 -42.163 9.618 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -6.894 -41.941 9.229 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -9.392 -43.710 9.533 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -9.181 -44.417 8.922 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -9.504 -44.148 10.377 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -12.494 -29.114 -1.698 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -13.141 -29.576 -2.231 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -12.139 -29.786 -1.115 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -11.624 -31.033 0.107 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -11.958 -31.914 0.279 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -11.402 -30.688 0.971 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 5.925 -30.224 3.087 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 5.903 -30.039 4.026 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 6.615 -29.655 2.746 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 5.488 -30.657 6.009 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 5.001 -31.392 5.638 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 6.037 -31.050 6.687 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 3.939 -34.867 10.647 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 3.073 -34.972 11.041 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 4.315 -34.108 11.094 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 3.880 -32.894 5.240 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 3.232 -32.569 5.865 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 3.362 -33.334 4.565 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.544 -37.958 2.558 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -11.360 -38.040 1.623 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -10.695 -38.082 2.982 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -11.946 -42.687 8.699 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -11.027 -42.809 8.935 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -12.396 -43.437 9.088 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -12.421 -41.376 2.659 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -11.929 -41.597 1.869 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -12.059 -40.535 2.940 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -6.998 -32.230 5.461 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -7.423 -31.421 5.178 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -6.093 -32.145 5.159 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -8.040 -31.641 1.074 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -8.259 -32.557 1.243 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -7.216 -31.501 1.540 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -5.503 -31.171 1.922 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -5.290 -32.059 1.635 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -5.438 -31.205 2.877 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -0.589 -37.717 17.703 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -0.500 -36.773 17.571 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -1.228 -37.992 17.045 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -1.656 -38.462 21.122 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -1.694 -39.108 21.827 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -1.979 -38.928 20.351 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -9.288 -38.847 22.715 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -9.246 -39.473 23.439 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -8.585 -38.224 22.897 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 2.050 -35.523 19.424 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 1.609 -36.243 19.874 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 2.037 -34.802 20.054 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -11.044 -38.575 18.769 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -10.830 -39.345 19.296 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -10.306 -38.486 18.166 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -5.195 -39.587 19.106 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -4.579 -40.113 19.615 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -5.781 -40.227 18.702 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -0.792 -35.116 16.746 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -1.088 -35.438 15.895 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -1.116 -34.216 16.788 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -11.063 -35.305 15.059 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -11.335 -35.076 14.170 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -11.018 -34.467 15.519 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 2.562 -33.683 21.772 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 1.620 -33.625 21.933 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 2.838 -32.777 21.635 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 1.973 -34.001 16.906 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 1.716 -34.691 16.294 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 2.044 -34.444 17.751 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -1.868 -38.473 15.155 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -2.580 -37.938 14.804 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.177 -38.417 14.495 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 1.538 -38.263 16.107 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 0.806 -38.035 16.680 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 1.985 -38.977 16.562 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -6.817 -37.633 17.990 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -7.147 -38.003 17.171 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -6.229 -38.303 18.336 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.450 -38.864 21.623 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -5.885 -38.743 20.860 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -6.131 -38.227 22.262 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -5.570 -34.465 26.340 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -5.882 -33.683 26.796 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -6.220 -34.618 25.654 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 0.409 -39.101 13.792 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 0.988 -38.951 14.539 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 0.823 -38.630 13.069 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -8.650 -38.267 25.569 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -8.580 -37.616 26.267 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -9.541 -38.164 25.234 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -7.827 -38.563 15.579 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -8.119 -37.795 15.088 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -8.501 -39.223 15.416 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 5.297 -32.985 11.982 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 5.370 -32.046 12.152 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 6.202 -33.290 11.925 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -11.734 -36.200 24.394 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -12.235 -36.228 23.579 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -11.728 -37.106 24.704 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 6.214 -32.754 26.960 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 6.165 -33.709 26.923 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 5.388 -32.486 27.362 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -9.485 -34.877 25.437 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -9.268 -35.238 26.297 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -10.340 -35.251 25.227 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 1.886 -38.068 11.422 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 1.928 -38.291 10.492 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.735 -37.670 11.612 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -6.775 -41.441 22.528 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -7.417 -41.482 23.237 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -6.738 -40.515 22.290 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -11.142 -43.259 13.669 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -10.668 -42.668 13.084 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -11.860 -42.728 14.016 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -0.974 -39.720 23.742 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -0.650 -40.351 23.099 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -1.414 -40.255 24.403 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -7.041 -40.969 12.576 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -7.583 -41.349 11.885 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -6.207 -40.775 12.147 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -8.906 -36.412 27.675 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -8.173 -36.158 28.236 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -9.686 -36.208 28.190 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -2.876 -41.005 20.413 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -2.312 -41.552 19.866 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -3.024 -41.527 21.202 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -3.706 -36.404 14.512 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -4.450 -36.911 14.189 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -3.840 -36.355 15.458 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -2.186 -36.220 25.749 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -2.532 -36.601 26.555 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -2.386 -35.286 25.820 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -8.581 -37.109 20.281 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -7.836 -37.111 19.680 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -8.503 -37.933 20.763 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -4.556 -39.131 27.809 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -4.852 -39.297 26.914 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -3.625 -39.351 27.799 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 0.064 -33.758 25.699 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -0.837 -33.575 25.431 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 0.098 -33.499 26.620 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 4.091 -32.727 14.531 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 3.718 -33.553 14.841 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 4.368 -32.910 13.634 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 1.251 -37.919 21.553 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 0.323 -38.151 21.526 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 1.702 -38.696 21.223 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -10.451 -38.729 12.273 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -9.835 -38.102 12.652 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -11.313 -38.413 12.544 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -4.779 -35.928 17.262 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -5.020 -35.003 17.304 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -5.519 -36.387 17.658 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -0.720 -35.680 23.278 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -1.146 -35.907 24.104 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -0.139 -36.418 23.095 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 1.483 -34.751 12.352 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 1.836 -35.131 13.156 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 0.534 -34.844 12.438 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 2.349 -36.078 14.578 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 2.072 -36.806 15.134 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 3.276 -35.959 14.784 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -5.489 -34.069 13.255 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -5.342 -34.589 14.045 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -5.492 -33.162 13.561 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -9.036 -36.816 13.765 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -9.722 -36.464 14.332 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -8.513 -36.053 13.519 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -8.420 -34.202 12.662 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -7.828 -33.503 12.938 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -7.961 -34.635 11.943 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -10.104 -41.538 11.778 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -10.149 -40.599 11.957 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -10.992 -41.774 11.508 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 3.209 -30.874 21.714 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 3.053 -30.196 21.057 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 4.141 -30.802 21.917 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -11.170 -36.393 28.896 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.026 -37.295 28.610 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -11.943 -36.107 28.408 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -6.829 -36.049 11.028 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -6.765 -36.843 11.559 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -6.176 -36.168 10.339 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -4.515 -36.423 28.329 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -4.843 -36.152 27.471 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -4.363 -37.364 28.241 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -1.477 -35.002 10.764 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -1.745 -34.822 11.665 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -1.683 -35.928 10.633 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 1.220 -36.507 25.712 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 1.965 -35.919 25.592 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 0.463 -35.925 25.775 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -5.680 -38.077 13.334 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -6.139 -38.561 14.020 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -5.425 -38.745 12.698 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -6.391 -40.184 25.690 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -7.009 -39.509 25.971 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -6.047 -39.863 24.857 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -1.371 -37.713 28.968 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -0.418 -37.629 28.940 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -1.531 -38.424 29.587 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -4.057 -39.020 24.505 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -3.306 -39.176 23.932 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -4.396 -38.168 24.229 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 3.939 -34.867 29.503 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 3.073 -34.972 29.897 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 4.315 -34.108 29.950 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 5.240 -36.610 15.017 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 6.090 -36.189 15.145 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 5.245 -37.350 15.625 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 5.393 -35.772 21.789 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 6.227 -36.150 21.508 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 5.505 -34.829 21.670 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 3.880 -32.894 24.096 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 3.232 -32.569 24.721 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 3.362 -33.334 23.421 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -11.544 -37.958 21.414 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -11.360 -38.040 20.479 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -10.695 -38.082 21.838 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 3.861 -31.603 27.673 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 3.079 -31.789 27.153 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 3.789 -30.674 27.890 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -0.839 -30.418 38.492 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -0.219 -31.095 38.219 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -1.047 -30.636 39.400 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -0.792 -35.116 35.602 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -1.088 -35.438 34.751 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -1.116 -34.216 35.644 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -11.063 -35.305 33.915 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -11.335 -35.076 33.026 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -11.018 -34.467 34.375 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -1.865 -32.364 36.083 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -1.391 -32.069 36.861 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -2.428 -31.626 35.850 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 5.297 -32.985 30.838 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 5.370 -32.046 31.008 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 6.202 -33.290 30.781 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -8.739 -30.619 36.279 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -8.587 -30.967 37.158 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -9.590 -30.975 36.024 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 0.378 -30.328 34.250 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -0.557 -30.228 34.429 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 0.658 -31.037 34.828 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -3.706 -36.404 33.368 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -4.450 -36.911 33.045 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -3.840 -36.355 34.314 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -1.580 -34.945 32.393 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -1.875 -34.119 32.775 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -2.283 -35.565 32.589 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 4.091 -32.727 33.387 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 3.718 -33.553 33.697 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 4.368 -32.910 32.490 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -6.206 -33.591 36.542 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -5.679 -32.818 36.341 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -7.086 -33.366 36.240 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -4.779 -35.928 36.118 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -5.020 -35.003 36.160 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -5.519 -36.387 36.514 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 1.483 -34.751 31.208 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 1.836 -35.131 32.012 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 0.534 -34.844 31.294 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 5.987 -30.271 31.409 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 6.730 -29.685 31.269 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 5.292 -29.703 31.742 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -5.489 -34.069 32.111 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -5.342 -34.589 32.901 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -5.492 -33.162 32.417 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -9.036 -36.816 32.621 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -9.722 -36.464 33.188 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -8.513 -36.053 32.375 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -8.420 -34.202 31.518 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -7.828 -33.503 31.794 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -7.961 -34.635 30.799 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -10.366 -32.816 35.468 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -11.198 -32.343 35.495 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -9.820 -32.306 34.869 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 2.216 -31.959 30.027 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 2.499 -32.753 30.480 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 2.956 -31.726 29.466 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -6.829 -36.049 29.884 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -6.765 -36.843 30.415 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -6.176 -36.168 29.195 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -5.680 -38.077 32.190 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -6.139 -38.561 32.876 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -5.425 -38.745 31.554 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -11.143 -34.507 30.937 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -10.229 -34.428 31.210 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -11.136 -35.194 30.270 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -11.624 -31.033 37.819 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -11.958 -31.914 37.991 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -11.402 -30.688 38.683 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 2.663 -30.134 36.371 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 3.316 -30.481 35.763 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 3.174 -29.645 37.017 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -9.596 -28.974 43.220 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -10.316 -28.534 42.769 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -9.962 -29.225 44.069 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -7.129 -29.374 42.250 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -7.994 -29.302 42.654 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -7.184 -28.827 41.466 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -2.418 -29.486 41.426 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -2.875 -28.957 40.772 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -2.255 -28.883 42.151 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -10.181 -30.351 40.131 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -10.200 -30.776 40.988 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -9.376 -30.669 39.722 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.040 -31.641 38.786 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -8.259 -32.557 38.955 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -7.216 -31.501 39.252 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -5.503 -31.171 39.634 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -5.290 -32.059 39.347 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -5.438 -31.205 40.589 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 4.643 -30.354 34.379 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 4.449 -31.102 33.814 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 4.604 -29.596 33.795 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -0.839 -11.562 -18.076 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -0.219 -12.239 -18.349 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -1.047 -11.780 -17.168 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 0.814 -13.046 -19.315 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 1.239 -13.753 -19.800 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 1.131 -12.245 -19.732 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -0.141 -14.505 -15.355 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -0.382 -13.843 -14.707 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -0.339 -15.339 -14.930 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -5.570 -15.609 -11.372 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -5.882 -14.827 -10.916 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -6.220 -15.762 -12.058 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.331 -13.537 -10.608 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -7.323 -13.673 -11.556 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -8.247 -13.655 -10.356 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -2.807 -14.324 -11.876 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -2.720 -13.498 -11.401 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -3.671 -14.654 -11.627 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -2.393 -10.552 -22.070 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -2.468 -10.673 -23.016 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -2.360 -9.602 -21.951 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 3.496 -10.030 -9.645 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 3.696 -9.606 -10.480 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 4.152 -9.687 -9.038 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -8.906 -17.556 -10.037 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -8.173 -17.302 -9.476 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -9.686 -17.352 -9.522 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -4.556 -20.275 -9.903 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -4.852 -20.441 -10.798 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -3.625 -20.495 -9.913 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 0.064 -14.902 -12.013 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -0.837 -14.719 -12.281 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 0.098 -14.643 -11.092 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -4.264 -12.923 -14.135 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -3.901 -12.068 -14.368 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -3.732 -13.215 -13.394 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 1.939 -12.272 -11.965 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 1.337 -12.827 -12.460 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 2.220 -11.605 -12.591 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 3.209 -12.018 -15.998 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 3.053 -11.340 -16.655 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 4.141 -11.946 -15.795 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -11.077 -11.347 -9.770 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -10.537 -11.564 -9.011 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -11.558 -12.153 -9.960 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -6.480 -12.428 -8.150 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -5.712 -12.887 -7.809 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -6.501 -12.654 -9.080 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 0.097 -14.048 -9.421 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -0.254 -14.904 -9.178 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 0.823 -13.905 -8.814 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -11.170 -17.537 -8.816 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -11.026 -18.439 -9.102 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -11.943 -17.251 -9.304 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -4.515 -17.567 -9.383 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -4.843 -17.296 -10.241 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -4.363 -18.508 -9.471 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -10.338 -20.337 -9.396 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -9.930 -21.194 -9.517 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -10.598 -20.322 -8.475 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -1.371 -18.857 -8.744 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -0.418 -18.773 -8.772 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -1.531 -19.568 -8.125 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.573 -22.775 -9.028 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -8.340 -23.307 -9.238 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -6.894 -23.085 -9.627 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 5.488 -11.801 -12.847 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 5.001 -12.536 -13.218 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 6.037 -12.194 -12.169 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 2.663 -11.278 -20.197 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 3.316 -11.625 -20.805 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 3.174 -10.789 -19.551 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -9.952 -14.349 -9.654 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -10.773 -14.174 -10.114 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -10.204 -14.422 -8.733 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -6.998 -13.374 -13.395 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -7.423 -12.565 -13.678 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -6.093 -13.289 -13.697 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -0.342 -10.690 -11.192 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 0.335 -11.322 -11.432 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -0.020 -10.288 -10.384 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -9.596 -10.118 -13.348 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -10.316 -9.678 -13.799 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -9.962 -10.369 -12.499 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -7.129 -10.518 -14.318 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -7.994 -10.446 -13.914 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -7.184 -9.971 -15.102 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -0.091 -11.752 -14.197 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -0.995 -11.587 -14.463 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 0.338 -10.899 -14.263 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 2.514 -10.182 -13.902 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 2.332 -9.266 -14.113 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 2.690 -10.592 -14.749 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -10.181 -11.495 -16.437 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -10.200 -11.920 -15.580 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -9.376 -11.813 -16.846 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -8.040 -12.785 -17.782 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -8.259 -13.701 -17.613 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -7.216 -12.645 -17.316 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -5.503 -12.315 -16.934 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -5.290 -13.203 -17.221 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -5.438 -12.349 -15.979 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 3.861 -12.747 -10.039 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 3.079 -12.933 -10.559 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 3.789 -11.818 -9.822 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -11.754 -21.881 -2.213 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -12.202 -21.035 -2.231 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -12.315 -22.461 -2.728 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -0.839 -11.562 0.780 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -0.219 -12.239 0.507 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -1.047 -11.780 1.688 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 0.751 -24.547 -1.327 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 1.397 -24.876 -0.702 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 1.261 -24.029 -1.950 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 2.515 -25.256 0.654 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.300 -26.022 1.186 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 3.171 -24.784 1.167 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -4.135 -28.454 1.799 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -4.252 -29.403 1.745 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -4.990 -28.122 2.072 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -1.868 -19.617 -3.701 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -2.580 -19.082 -4.052 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -1.177 -19.561 -4.361 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -1.814 -21.159 -6.662 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -1.113 -21.137 -6.011 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -1.512 -21.787 -7.318 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 0.409 -20.245 -5.064 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 0.988 -20.095 -4.317 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 0.823 -19.774 -5.787 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 0.709 -11.398 -6.211 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 1.084 -12.142 -6.682 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 0.713 -11.668 -5.293 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.378 -11.472 -3.462 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -0.557 -11.372 -3.283 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 0.658 -12.181 -2.884 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 1.886 -19.212 -7.434 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 1.928 -19.435 -8.364 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 2.735 -18.814 -7.244 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.541 -25.336 -6.764 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -2.795 -25.317 -5.841 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -2.798 -26.208 -7.065 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -1.242 -21.948 -2.599 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -1.651 -21.133 -2.891 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -0.522 -22.088 -3.214 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -0.238 -22.502 0.215 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -0.433 -21.897 -0.500 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -0.056 -23.336 -0.220 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -5.659 -24.891 -7.663 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -6.090 -25.336 -6.933 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -6.377 -24.519 -8.175 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -12.417 -25.149 -0.611 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -11.786 -25.178 0.109 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -11.967 -25.574 -1.341 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -11.142 -24.403 -5.187 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -10.668 -23.812 -5.772 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -11.860 -23.872 -4.840 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -4.196 -24.937 -0.330 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -5.107 -24.880 -0.041 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -3.691 -24.997 0.481 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -7.041 -22.113 -6.280 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -7.583 -22.493 -6.971 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -6.207 -21.919 -6.709 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -7.874 -26.013 -2.025 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -8.191 -26.915 -2.060 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -7.093 -26.011 -2.577 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 0.910 -22.867 -4.484 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 1.802 -23.004 -4.165 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 0.967 -22.076 -5.021 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -1.580 -16.089 -5.319 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -1.875 -15.263 -4.937 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -2.283 -16.709 -5.123 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 5.795 -22.657 -4.790 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 5.241 -23.053 -5.462 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.896 -21.747 -5.067 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 4.091 -13.871 -4.325 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 3.718 -14.697 -4.015 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 4.368 -14.054 -5.222 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -10.451 -19.873 -6.583 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -9.835 -19.246 -6.204 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -11.313 -19.557 -6.312 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 1.483 -15.895 -6.504 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 1.836 -16.275 -5.700 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 0.534 -15.988 -6.418 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 2.349 -17.222 -4.278 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 2.072 -17.950 -3.722 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 3.276 -17.103 -4.072 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -4.426 -14.783 -8.057 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -4.187 -15.531 -8.605 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -4.695 -15.171 -7.225 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -5.489 -15.213 -5.601 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -5.342 -15.733 -4.811 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -5.492 -14.306 -5.295 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -3.220 -23.918 -2.880 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -2.408 -23.414 -2.834 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -3.465 -24.063 -1.966 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -2.336 -26.837 -1.942 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -2.683 -26.219 -1.297 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.678 -26.336 -2.423 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -6.679 -25.774 -5.254 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -6.762 -24.885 -4.908 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -5.789 -26.039 -5.023 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -8.420 -15.346 -6.194 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -7.828 -14.647 -5.918 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -7.961 -15.779 -6.913 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -10.104 -22.682 -7.078 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -10.149 -21.743 -6.899 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -10.992 -22.918 -7.348 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 3.209 -12.018 2.858 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 3.053 -11.340 2.201 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 4.141 -11.946 3.061 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -2.388 -12.920 -7.919 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -3.032 -13.551 -7.597 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -1.626 -13.451 -8.151 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 2.216 -13.103 -7.685 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 2.499 -13.897 -7.232 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 2.956 -12.870 -8.246 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -6.829 -17.193 -7.828 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -6.765 -17.987 -7.297 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -6.176 -17.312 -8.517 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -1.477 -16.146 -8.092 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -1.745 -15.966 -7.191 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.683 -17.072 -8.223 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -4.609 -20.978 -7.259 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -4.789 -21.132 -8.187 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -3.658 -20.870 -7.215 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -11.143 -15.651 -6.775 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -10.229 -15.572 -6.502 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -11.136 -16.338 -7.442 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 5.240 -17.754 -3.839 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 6.090 -17.333 -3.711 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 5.245 -18.494 -3.231 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 5.634 -19.701 -2.015 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 4.908 -20.180 -1.617 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 6.215 -19.495 -1.283 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 5.902 -19.800 -5.624 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 5.381 -19.443 -6.343 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 5.869 -19.125 -4.946 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 3.421 -21.180 -1.452 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 3.271 -22.125 -1.472 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 3.067 -20.899 -0.608 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 3.131 -23.597 -2.990 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 3.411 -24.504 -2.865 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 3.890 -23.163 -3.379 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -12.108 -26.262 -3.286 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -13.033 -26.053 -3.416 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -11.654 -25.778 -3.976 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 2.663 -11.278 -1.341 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 3.316 -11.625 -1.949 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 3.174 -10.789 -0.695 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 2.514 -10.182 4.954 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 2.332 -9.266 4.743 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 2.690 -10.592 4.107 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -1.994 -26.651 1.067 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -2.669 -27.280 1.322 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -1.430 -27.135 0.464 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 3.148 -28.544 1.179 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 3.752 -27.996 0.678 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 2.279 -28.224 0.939 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 4.875 -27.405 -0.487 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 5.487 -27.919 -1.014 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 5.258 -26.527 -0.464 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -9.668 -28.017 -1.111 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -10.445 -28.251 -1.619 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -9.137 -28.814 -1.103 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -5.088 -28.090 -1.298 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -4.214 -27.702 -1.328 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -5.224 -28.305 -0.375 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 0.469 -28.060 0.351 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 0.545 -27.965 -0.598 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 0.193 -28.968 0.480 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -8.970 -26.303 -6.865 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -8.479 -26.933 -7.393 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -8.347 -26.007 -6.202 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -3.944 -26.010 -4.408 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -3.766 -26.656 -3.725 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -3.998 -25.176 -3.941 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 4.643 -11.498 -3.333 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 4.449 -12.246 -3.898 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 4.604 -10.740 -3.917 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -9.112 -11.351 -7.385 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -9.380 -11.064 -6.512 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -8.341 -11.897 -7.233 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -7.331 -13.537 27.104 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -7.323 -13.673 26.156 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -8.247 -13.655 27.356 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 6.214 -13.898 26.960 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 6.165 -14.853 26.923 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 5.388 -13.630 27.362 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -9.485 -16.021 25.437 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -9.268 -16.382 26.297 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -10.340 -16.395 25.227 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 3.496 -10.030 28.067 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 3.696 -9.606 27.232 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 4.152 -9.687 28.674 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 5.759 -16.857 26.903 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 4.907 -16.619 26.536 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 6.349 -16.874 26.150 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -11.077 -11.347 27.942 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -10.537 -11.564 28.701 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -11.558 -12.153 27.752 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.480 -12.428 29.562 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -5.712 -12.887 29.903 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -6.501 -12.654 28.632 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.515 -17.567 28.329 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -4.843 -17.296 27.471 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.363 -18.508 28.241 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.939 -16.011 29.503 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 3.073 -16.116 29.897 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 4.315 -15.252 29.950 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -9.952 -14.349 28.058 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -10.773 -14.174 27.598 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -10.204 -14.422 28.979 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.596 -10.118 24.364 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -10.316 -9.678 23.913 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -9.962 -10.369 25.213 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -7.129 -10.518 23.394 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -7.994 -10.446 23.798 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -7.184 -9.971 22.610 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -10.181 -11.495 21.275 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -10.200 -11.920 22.132 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -9.376 -11.813 20.866 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 3.861 -12.747 27.673 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 3.079 -12.933 27.153 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 3.789 -11.818 27.890 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -1.656 -19.606 39.978 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -1.694 -20.252 40.683 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -1.979 -20.072 39.207 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -9.288 -19.991 41.571 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -9.246 -20.617 42.295 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -8.585 -19.368 41.753 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 2.050 -16.667 38.280 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 1.609 -17.387 38.730 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 2.037 -15.946 38.910 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -3.267 -17.173 40.384 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -2.963 -17.859 39.790 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -2.545 -17.055 41.002 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -0.126 -22.779 40.712 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 0.017 -23.726 40.732 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -0.232 -22.572 39.783 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 0.751 -24.547 36.385 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 1.397 -24.876 37.010 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 1.261 -24.029 35.762 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -5.195 -20.731 37.962 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -4.579 -21.257 38.471 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -5.781 -21.371 37.558 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -8.161 -25.760 42.058 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -8.380 -25.230 41.292 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -8.829 -25.533 42.706 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.792 -16.260 35.602 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -1.088 -16.582 34.751 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -1.116 -15.360 35.644 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 2.515 -25.256 38.366 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 2.300 -26.022 38.898 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 3.171 -24.784 38.879 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -11.063 -16.449 33.915 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -11.335 -16.220 33.026 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -11.018 -15.611 34.375 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -4.135 -28.454 39.511 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -4.252 -29.403 39.457 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -4.990 -28.122 39.784 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 1.973 -15.145 35.762 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 1.716 -15.835 35.150 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 2.044 -15.588 36.607 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -6.817 -18.777 36.846 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -7.147 -19.147 36.027 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -6.229 -19.447 37.192 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -6.450 -20.008 40.479 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -5.885 -19.887 39.716 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -6.131 -19.371 41.118 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -1.865 -13.508 36.083 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.391 -13.213 36.861 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.428 -12.770 35.850 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 4.107 -28.495 32.461 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 3.208 -28.356 32.756 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 4.359 -27.664 32.059 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 5.297 -14.129 30.838 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 5.370 -13.190 31.008 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 6.202 -14.434 30.781 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 0.709 -11.398 31.501 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 1.084 -12.142 31.030 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 0.713 -11.668 32.419 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -6.866 -27.551 40.289 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -7.727 -27.638 39.881 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -6.888 -26.695 40.716 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -6.775 -22.585 41.384 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -7.417 -22.626 42.093 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -6.738 -21.659 41.146 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -0.238 -22.502 37.927 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -0.433 -21.897 37.212 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -0.056 -23.336 37.492 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -9.025 -22.265 43.251 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -9.063 -21.865 44.119 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -9.516 -23.082 43.341 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 0.209 -25.702 40.646 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -0.468 -25.571 41.310 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -0.277 -25.857 39.836 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -2.876 -22.149 39.269 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -2.312 -22.696 38.722 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -3.024 -22.671 40.058 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -4.250 -23.761 41.683 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -5.085 -23.307 41.793 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -3.726 -23.485 42.435 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -8.581 -18.253 39.137 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -7.836 -18.255 38.536 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -8.503 -19.077 39.619 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -11.573 -19.792 44.452 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -11.350 -20.210 45.284 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -12.175 -20.405 44.030 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 4.091 -13.871 33.387 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 3.718 -14.697 33.697 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 4.368 -14.054 32.490 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 1.251 -19.063 40.409 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 0.323 -19.295 40.382 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 1.702 -19.840 40.079 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -6.206 -14.735 36.542 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.679 -13.962 36.341 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -7.086 -14.510 36.240 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -4.779 -17.072 36.118 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -5.020 -16.147 36.160 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -5.519 -17.531 36.514 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 1.483 -15.895 31.208 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 1.836 -16.275 32.012 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 0.534 -15.988 31.294 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -9.939 -25.039 44.010 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -10.832 -24.700 43.943 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -10.038 -25.894 44.428 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 2.349 -17.222 33.434 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 2.072 -17.950 33.990 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 3.276 -17.103 33.640 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -4.426 -14.783 29.655 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -4.187 -15.531 29.107 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -4.695 -15.171 30.487 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -5.489 -15.213 32.111 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -5.342 -15.733 32.901 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -5.492 -14.306 32.417 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -2.751 -13.515 32.860 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -3.568 -13.018 32.913 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -2.222 -13.040 32.220 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -5.413 -12.472 32.842 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -5.252 -11.672 32.341 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -5.610 -12.165 33.727 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 2.122 -21.274 38.948 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 1.325 -21.689 38.619 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 2.567 -21.965 39.439 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -8.420 -15.346 31.518 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -7.828 -14.647 31.794 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -7.961 -15.779 30.799 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -10.366 -13.960 35.468 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -11.198 -13.487 35.495 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -9.820 -13.450 34.869 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -2.388 -12.920 29.793 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -3.032 -13.551 30.115 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -1.626 -13.451 29.561 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 2.216 -13.103 30.027 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 2.499 -13.897 30.480 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 2.956 -12.870 29.466 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -5.639 -25.603 43.121 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -5.103 -25.152 42.469 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -6.491 -25.711 42.699 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -4.711 -10.287 31.454 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -3.778 -10.129 31.598 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -4.975 -9.612 30.829 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -11.143 -15.651 30.937 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -10.229 -15.572 31.210 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -11.136 -16.338 30.270 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 5.240 -17.754 33.873 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 6.090 -17.333 34.001 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 5.245 -18.494 34.481 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 5.634 -19.701 35.697 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 4.908 -20.180 36.095 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 6.215 -19.495 36.429 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 5.902 -19.800 32.088 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 5.381 -19.443 31.369 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 5.869 -19.125 32.766 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 3.421 -21.180 36.260 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 3.271 -22.125 36.240 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 3.067 -20.899 37.104 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -11.544 -19.102 40.270 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -11.360 -19.184 39.335 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -10.695 -19.226 40.694 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 3.131 -23.597 34.722 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 3.411 -24.504 34.847 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 3.890 -23.163 34.333 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 3.745 -26.334 34.771 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 3.927 -26.783 35.596 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 3.145 -26.919 34.307 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -12.144 -27.524 42.770 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -12.809 -27.770 43.413 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -12.587 -26.902 42.193 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -1.994 -26.651 38.779 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -2.669 -27.280 39.034 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -1.430 -27.135 38.176 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 4.875 -27.405 37.225 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 5.487 -27.919 36.698 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 5.258 -26.527 37.248 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 0.469 -28.060 38.063 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 0.545 -27.965 37.114 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 0.193 -28.968 38.192 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -10.930 -12.271 33.302 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -11.615 -12.309 32.634 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -10.927 -11.358 33.590 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -2.066 -11.061 31.699 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -1.200 -10.695 31.521 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -2.313 -11.501 30.886 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -0.589 -0.005 -20.009 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -0.500 0.939 -20.141 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -1.228 -0.280 -20.667 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -1.656 -0.750 -16.590 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -1.694 -1.396 -15.885 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -1.979 -1.216 -17.361 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -9.288 -1.135 -14.997 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -9.246 -1.761 -14.273 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -8.585 -0.512 -14.815 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -3.267 1.683 -16.184 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.963 0.997 -16.778 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -2.545 1.801 -15.566 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 5.396 -6.716 -15.323 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 5.445 -6.106 -14.587 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 5.822 -6.255 -16.046 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -6.971 -5.822 -18.584 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -6.928 -4.962 -19.002 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -7.429 -6.374 -19.217 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 0.751 -5.691 -20.183 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 1.397 -6.020 -19.558 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 1.261 -5.173 -20.806 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -10.351 -3.425 -17.822 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -9.697 -3.975 -17.390 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -10.327 -3.699 -18.738 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -5.195 -1.875 -18.606 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -4.579 -2.401 -18.097 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -5.781 -2.515 -19.010 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 5.788 -5.238 -13.087 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 5.099 -4.580 -13.182 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 5.803 -5.435 -12.150 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -5.592 0.772 -14.222 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -6.332 1.370 -14.119 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -4.878 1.326 -14.538 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.515 -6.400 -18.202 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.300 -7.166 -17.670 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 3.171 -5.928 -17.689 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -8.567 -5.012 -16.557 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -7.954 -4.379 -16.184 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -8.055 -5.484 -17.214 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 3.659 2.277 -12.329 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 3.799 1.686 -13.068 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 3.827 3.150 -12.685 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 5.501 -1.383 -14.263 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 4.849 -0.688 -14.174 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 5.966 -1.173 -15.073 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -6.450 -1.152 -16.089 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -5.885 -1.031 -16.852 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -6.131 -0.515 -15.450 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -5.570 3.247 -11.372 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -5.882 4.029 -10.916 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -6.220 3.094 -12.058 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -8.650 -0.555 -12.143 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.580 0.096 -11.445 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -9.541 -0.452 -12.478 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.331 5.319 -10.608 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -7.323 5.183 -11.556 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -8.247 5.201 -10.356 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -2.807 4.532 -11.876 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -2.720 5.358 -11.401 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -3.671 4.202 -11.627 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -9.485 2.835 -12.275 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.268 2.474 -11.415 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -10.340 2.461 -12.485 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -6.778 -3.508 -20.272 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -7.671 -3.849 -20.331 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -6.327 -3.885 -21.028 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.242 -3.092 -21.455 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -1.651 -2.277 -21.747 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -0.522 -3.232 -22.070 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -0.238 -3.646 -18.641 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -0.433 -3.041 -19.356 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -0.056 -4.480 -19.076 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -9.025 -3.409 -13.317 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -9.063 -3.009 -12.449 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -9.516 -4.226 -13.227 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -9.368 -4.452 -20.359 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -10.257 -4.352 -20.699 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -9.072 -5.294 -20.705 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -5.715 -4.452 -22.703 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -4.783 -4.323 -22.525 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -5.930 -3.782 -23.352 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -8.906 1.300 -10.037 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -8.173 1.554 -9.476 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -9.686 1.504 -9.522 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -7.874 -7.157 -20.881 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -8.191 -8.059 -20.916 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -7.093 -7.155 -21.433 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 3.444 0.441 -14.414 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 4.086 0.898 -14.957 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 2.614 0.554 -14.876 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -2.186 1.492 -11.963 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -2.532 1.111 -11.157 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -2.386 2.426 -11.892 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -11.573 -0.936 -12.116 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -11.350 -1.354 -11.284 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -12.175 -1.549 -12.538 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -4.556 -1.419 -9.903 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -4.852 -1.585 -10.798 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -3.625 -1.639 -9.913 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 0.064 3.954 -12.013 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -0.837 4.137 -12.281 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 0.098 4.213 -11.092 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 5.759 1.999 -10.809 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 4.907 2.237 -11.176 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 6.349 1.982 -11.562 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 1.251 -0.207 -16.159 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 0.323 -0.439 -16.186 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 1.702 -0.984 -16.489 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -0.720 2.032 -14.434 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -1.146 1.805 -13.608 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -0.139 1.294 -14.617 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -9.939 -6.183 -12.558 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -10.832 -5.844 -12.625 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -10.038 -7.038 -12.140 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -0.420 -6.790 -22.571 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -0.200 -6.318 -23.374 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 0.138 -6.395 -21.900 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 -3.220 -5.062 -21.736 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -2.408 -4.558 -21.690 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 -3.465 -5.207 -20.822 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -2.336 -7.981 -20.798 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -2.683 -7.363 -20.153 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -1.678 -7.480 -21.279 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 2.122 -2.418 -17.620 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 1.325 -2.833 -17.949 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 2.567 -3.109 -17.129 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -9.296 -9.044 -17.261 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -9.525 -8.985 -18.188 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -9.739 -9.836 -16.954 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -6.480 6.428 -8.150 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -5.712 5.969 -7.809 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -6.501 6.202 -9.080 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 0.097 4.808 -9.421 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -0.254 3.952 -9.178 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 0.823 4.951 -8.814 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -11.170 1.319 -8.816 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -11.026 0.417 -9.102 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -11.943 1.605 -9.304 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -4.515 1.289 -9.383 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -4.843 1.560 -10.241 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -4.363 0.348 -9.471 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 1.220 1.205 -12.000 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 1.965 1.793 -12.120 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 0.463 1.787 -11.937 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -10.338 -1.481 -9.396 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -9.930 -2.338 -9.517 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -10.598 -1.466 -8.475 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -4.057 -1.308 -13.207 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -3.306 -1.464 -13.780 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -4.396 -0.456 -13.483 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -7.573 -3.919 -9.028 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -8.340 -4.451 -9.238 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -6.894 -4.229 -9.627 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -9.392 -5.998 -9.323 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -9.181 -6.705 -9.934 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -9.504 -6.436 -8.479 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 3.939 2.845 -8.209 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 3.073 2.740 -7.815 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 4.315 3.604 -7.762 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 3.421 -2.324 -20.308 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 3.271 -3.269 -20.328 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 3.067 -2.043 -19.464 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 4.277 -0.354 -10.669 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 4.860 -1.088 -10.478 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 4.841 0.418 -10.623 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 5.774 -2.451 -9.985 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 4.911 -2.830 -10.150 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 6.378 -3.190 -10.059 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.743 -4.160 -16.410 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 4.676 -3.948 -16.444 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 3.508 -4.058 -15.487 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -11.946 -4.975 -10.157 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -11.027 -5.097 -9.921 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -12.396 -5.725 -9.768 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 6.055 -9.443 -8.280 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 6.405 -10.097 -8.886 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 6.202 -8.606 -8.720 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -10.725 -6.663 -17.266 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -10.280 -7.455 -16.964 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -10.259 -5.947 -16.835 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -12.421 -3.664 -16.197 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -11.929 -3.885 -16.987 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -12.059 -2.823 -15.916 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 5.575 -7.334 -9.931 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 4.658 -7.063 -9.967 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 5.698 -7.869 -10.715 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -12.144 -8.668 -13.798 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -12.809 -8.914 -13.155 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -12.587 -8.046 -14.375 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -9.952 4.507 -9.654 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -10.773 4.682 -10.114 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -10.204 4.434 -8.733 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -2.687 6.881 -10.436 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -2.502 6.547 -9.558 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -1.840 7.190 -10.758 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 4.576 -9.244 -12.112 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 3.763 -8.919 -12.500 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 4.809 -10.004 -12.645 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 3.148 -9.688 -17.677 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 3.752 -9.140 -18.178 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 2.279 -9.368 -17.917 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 4.875 -8.549 -19.343 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 5.487 -9.063 -19.870 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 5.258 -7.671 -19.320 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -9.668 -9.161 -19.967 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -10.445 -9.395 -20.475 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -9.137 -9.958 -19.959 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -5.088 -9.234 -20.154 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -4.214 -8.846 -20.184 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -5.224 -9.449 -19.231 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 0.469 -9.204 -18.505 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 0.545 -9.109 -19.454 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 0.193 -10.112 -18.376 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -3.944 -7.154 -23.264 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -3.766 -7.800 -22.581 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -3.998 -6.320 -22.797 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.710 -8.647 -10.450 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -10.076 -9.412 -10.007 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -8.797 -8.618 -10.163 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 3.861 6.109 -10.039 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 3.079 5.923 -10.559 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 3.789 7.038 -9.822 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -0.589 -0.005 -1.153 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -0.500 0.939 -1.285 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -1.228 -0.280 -1.811 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -1.656 -0.750 2.266 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -1.694 -1.396 2.971 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.979 -1.216 1.495 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -8.364 3.315 2.394 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -8.734 2.513 2.025 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -7.423 3.146 2.441 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -3.267 1.683 2.672 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -2.963 0.997 2.078 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -2.545 1.801 3.290 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.396 -6.716 3.533 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 5.445 -6.106 4.269 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 5.822 -6.255 2.810 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -0.126 -3.923 3.000 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 0.017 -4.870 3.020 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -0.232 -3.716 2.071 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 0.751 -5.691 -1.327 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 1.397 -6.020 -0.702 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 1.261 -5.173 -1.950 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 5.788 -5.238 5.769 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 5.099 -4.580 5.674 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 5.803 -5.435 6.706 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.792 2.596 -2.110 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.088 2.274 -2.961 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.116 3.496 -2.068 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -5.592 0.772 4.634 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -6.332 1.370 4.737 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -4.878 1.326 4.318 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 2.515 -6.400 0.654 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 2.300 -7.166 1.186 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 3.171 -5.928 1.167 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.184 2.736 5.421 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.190 3.615 5.043 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -8.038 2.653 5.846 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -11.063 2.407 -3.797 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -11.335 2.636 -4.686 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -11.018 3.245 -3.337 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 2.862 -7.685 4.333 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 2.126 -7.074 4.295 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 3.546 -7.270 3.807 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 1.973 3.711 -1.950 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 1.716 3.021 -2.562 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 2.044 3.268 -1.105 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 1.538 -0.551 -2.749 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 0.806 -0.323 -2.176 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 1.985 -1.265 -2.294 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -5.450 3.507 1.815 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -5.545 2.929 1.058 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -4.721 3.136 2.311 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -8.650 -0.555 6.713 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -8.580 0.096 7.411 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -9.541 -0.452 6.378 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 4.107 -9.639 -5.251 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 3.208 -9.500 -4.956 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 4.359 -8.808 -5.653 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 5.297 4.727 -6.874 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 5.370 5.666 -6.704 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 6.202 4.422 -6.931 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -11.734 1.512 5.538 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -12.235 1.484 4.723 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -11.728 0.606 5.848 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -11.983 4.292 2.422 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -11.037 4.148 2.403 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -12.096 5.076 2.959 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -8.739 7.093 -1.433 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -8.587 6.745 -0.554 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -9.590 6.737 -1.688 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 3.366 -3.549 8.584 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 2.959 -3.068 7.864 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 3.407 -4.454 8.277 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -9.485 2.835 6.581 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -9.268 2.474 7.441 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -10.340 2.461 6.371 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -2.203 -8.973 5.951 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -1.783 -9.388 6.704 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -3.136 -9.151 6.068 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 1.123 -5.217 6.805 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 0.609 -5.343 7.602 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 0.968 -4.305 6.560 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -6.775 -3.729 3.672 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -7.417 -3.770 4.381 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -6.738 -2.803 3.434 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -0.238 -3.646 0.215 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -0.433 -3.041 -0.500 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -0.056 -4.480 -0.220 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -9.025 -3.409 5.539 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -9.063 -3.009 6.407 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -9.516 -4.226 5.629 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -11.142 -5.547 -5.187 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -10.668 -4.956 -5.772 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -11.860 -5.016 -4.840 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 0.209 -6.846 2.934 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -0.468 -6.715 3.598 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -0.277 -7.001 2.124 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -2.876 -3.293 1.557 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -2.312 -3.840 1.010 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -3.024 -3.815 2.346 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -4.250 -4.905 3.971 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -5.085 -4.451 4.081 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -3.726 -4.629 4.723 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -11.573 -0.936 6.740 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -11.350 -1.354 7.572 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -12.175 -1.549 6.318 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 5.795 -3.801 -4.790 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 5.241 -4.197 -5.462 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 5.896 -2.891 -5.067 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 4.091 4.985 -4.325 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 3.718 4.159 -4.015 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 4.368 4.802 -5.222 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -6.206 4.121 -1.170 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -5.679 4.894 -1.371 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -7.086 4.346 -1.472 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -4.779 1.784 -1.594 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -5.020 2.709 -1.552 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -5.519 1.325 -1.198 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 1.483 2.961 -6.504 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 1.836 2.581 -5.700 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 0.534 2.868 -6.418 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -9.939 -6.183 6.298 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -10.832 -5.844 6.231 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -10.038 -7.038 6.716 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 2.349 1.634 -4.278 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 2.072 0.906 -3.722 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 3.276 1.753 -4.072 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -10.288 5.622 4.733 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -10.071 4.690 4.702 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -10.041 5.896 5.617 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -4.426 4.073 -8.057 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -4.187 3.325 -8.605 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -4.695 3.685 -7.225 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -5.489 3.643 -5.601 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -5.342 3.123 -4.811 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -5.492 4.550 -5.295 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -1.204 -6.442 5.188 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -0.506 -6.368 5.838 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.585 -7.306 5.343 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -2.751 5.341 -4.852 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -3.568 5.838 -4.799 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -2.222 5.816 -5.492 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -5.413 6.384 -4.870 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -5.252 7.184 -5.371 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -5.610 6.691 -3.985 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 3.520 -6.169 7.140 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 2.604 -5.906 7.052 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 3.856 -6.172 6.243 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 2.122 -2.418 1.236 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 1.325 -2.833 0.907 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 2.567 -3.109 1.727 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -8.420 3.510 -6.194 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -7.828 4.209 -5.918 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -7.961 3.077 -6.913 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -10.366 4.896 -2.244 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -11.198 5.369 -2.217 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -9.820 5.406 -2.843 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -2.388 5.936 -7.919 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.032 5.305 -7.597 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -1.626 5.405 -8.151 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 2.216 5.753 -7.685 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 2.499 4.959 -7.232 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 2.956 5.986 -8.246 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -6.391 -2.472 6.834 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -7.009 -1.797 7.115 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -6.047 -2.151 6.001 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 4.781 0.233 -7.814 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 4.508 -0.192 -8.627 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 4.821 1.164 -8.031 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -6.051 -5.117 7.917 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -5.901 -5.846 7.314 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -6.049 -4.340 7.358 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -5.639 -6.747 5.409 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -5.103 -6.296 4.757 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -6.491 -6.855 4.987 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -4.057 -1.308 5.649 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -3.306 -1.464 5.076 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -4.396 -0.456 5.373 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 0.359 -3.493 10.677 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 0.551 -4.424 10.566 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 1.216 -3.068 10.667 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -4.833 -9.291 5.841 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -4.931 -8.344 5.735 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -5.576 -9.663 5.365 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -3.569 -4.969 9.404 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -3.805 -5.189 10.306 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -4.352 -5.176 8.895 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -0.853 -5.842 8.480 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -1.801 -5.810 8.612 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -0.541 -6.467 9.134 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 0.781 -7.208 10.485 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 0.684 -8.160 10.479 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 0.459 -6.939 11.346 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -9.392 -5.998 9.533 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -9.181 -6.705 8.922 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -9.504 -6.436 10.377 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -4.258 -8.314 10.566 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -4.389 -8.790 9.745 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -4.857 -7.570 10.510 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -11.143 3.205 -6.775 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -10.229 3.284 -6.502 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -11.136 2.518 -7.442 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -11.624 6.679 0.107 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -11.958 5.798 0.279 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -11.402 7.024 0.971 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 5.240 1.102 -3.839 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 6.090 1.523 -3.711 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 5.245 0.362 -3.231 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 5.634 -0.845 -2.015 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 4.908 -1.324 -1.617 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 6.215 -0.639 -1.283 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 5.902 -0.944 -5.624 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 5.381 -0.587 -6.343 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 5.869 -0.269 -4.946 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 3.421 -2.324 -1.452 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 3.271 -3.269 -1.472 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 3.067 -2.043 -0.608 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 3.131 -4.741 -2.990 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 3.411 -5.648 -2.865 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 3.890 -4.307 -3.379 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -11.946 -4.975 8.699 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -11.027 -5.097 8.935 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -12.396 -5.725 9.088 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 3.745 -7.478 -2.941 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 3.927 -7.927 -2.116 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 3.145 -8.063 -3.405 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -12.421 -3.664 2.659 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -11.929 -3.885 1.869 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -12.059 -2.823 2.940 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 5.575 -7.334 8.925 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 4.658 -7.063 8.889 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 5.698 -7.869 8.141 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 5.611 -7.411 -6.413 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 6.024 -8.132 -6.889 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 6.293 -6.741 -6.355 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -12.108 -7.406 -3.286 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -13.033 -7.197 -3.416 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -11.654 -6.922 -3.976 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -6.998 5.482 5.461 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -7.423 6.291 5.178 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -6.093 5.567 5.159 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 4.576 -9.244 6.744 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 3.763 -8.919 6.356 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 4.809 -10.004 6.211 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -8.040 6.071 1.074 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -8.259 5.155 1.243 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -7.216 6.211 1.540 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -5.503 6.541 1.922 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -5.290 5.653 1.635 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.438 6.507 2.877 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 3.148 -9.688 1.179 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 3.752 -9.140 0.678 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 2.279 -9.368 0.939 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 4.875 -8.549 -0.487 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 5.487 -9.063 -1.014 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 5.258 -7.671 -0.464 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.831 -9.363 -5.308 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -10.392 -8.752 -5.899 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -11.465 -8.825 -4.834 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 0.469 -9.204 0.351 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 0.545 -9.109 -0.598 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 0.193 -10.112 0.480 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 1.822 -9.178 -3.956 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 1.119 -8.564 -4.166 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 1.377 -10.016 -3.825 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -8.970 -7.447 -6.865 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -8.479 -8.077 -7.393 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -8.347 -7.151 -6.202 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -9.710 -8.647 8.406 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -10.076 -9.412 8.849 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -8.797 -8.618 8.693 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.737 -9.296 9.942 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -6.838 -9.570 9.757 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -8.123 -10.039 10.406 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -1.656 -0.750 21.122 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -1.694 -1.396 21.827 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -1.979 -1.216 20.351 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 5.396 -6.716 22.389 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 5.445 -6.106 23.125 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 5.822 -6.255 21.666 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -6.971 -5.822 19.128 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -6.928 -4.962 18.710 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -7.429 -6.374 18.495 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 0.751 -5.691 17.529 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 1.397 -6.020 18.154 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 1.261 -5.173 16.906 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 5.788 -5.238 24.625 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 5.099 -4.580 24.530 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 5.803 -5.435 25.562 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -4.135 -9.598 20.655 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -4.252 -10.547 20.601 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -4.990 -9.266 20.928 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 1.435 -2.377 25.175 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 1.515 -1.614 25.747 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 0.834 -2.098 24.484 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 3.366 -3.549 27.440 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 2.959 -3.068 26.720 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 3.407 -4.454 27.133 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -6.866 -8.695 21.433 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -7.727 -8.782 21.025 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -6.888 -7.839 21.860 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -2.541 -6.480 12.092 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -2.795 -6.461 13.015 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -2.798 -7.352 11.791 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -6.775 -3.729 22.528 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -7.417 -3.770 23.237 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -6.738 -2.803 22.290 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -1.242 -3.092 16.257 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -1.651 -2.277 15.965 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -0.522 -3.232 15.642 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -2.140 -2.917 27.745 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -2.703 -3.621 28.065 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -1.314 -3.037 28.212 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -0.238 -3.646 19.071 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -0.433 -3.041 18.356 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -0.056 -4.480 18.636 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -5.659 -6.035 11.193 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -6.090 -6.480 11.923 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -6.377 -5.663 10.681 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -12.417 -6.293 18.245 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -11.786 -6.322 18.965 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -11.967 -6.718 17.515 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -11.142 -5.547 13.669 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -10.668 -4.956 13.084 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -11.860 -5.016 14.016 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -0.974 -2.008 23.742 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -0.650 -2.639 23.099 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -1.414 -2.543 24.403 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -4.196 -6.081 18.526 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -5.107 -6.024 18.815 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -3.691 -6.141 19.337 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -9.368 -4.452 17.353 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -10.257 -4.352 17.013 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -9.072 -5.294 17.007 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -5.715 -4.452 15.009 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.783 -4.323 15.187 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -5.930 -3.782 14.360 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -2.876 -3.293 20.413 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -2.312 -3.840 19.866 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -3.024 -3.815 21.202 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -7.874 -7.157 16.831 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -8.191 -8.059 16.796 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -7.093 -7.155 16.279 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -4.250 -4.905 22.827 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -5.085 -4.451 22.937 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -3.726 -4.629 23.579 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 0.192 -5.878 12.711 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -0.746 -5.766 12.560 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 0.489 -5.021 13.017 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 0.910 -4.011 14.372 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 1.802 -4.148 14.691 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 0.967 -3.220 13.835 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 5.795 -3.801 14.066 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 5.241 -4.197 13.394 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 5.896 -2.891 13.789 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 1.251 -0.207 21.553 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 0.323 -0.439 21.526 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 1.702 -0.984 21.223 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.220 -5.062 15.976 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -2.408 -4.558 16.022 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -3.465 -5.207 16.890 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -2.684 -4.076 25.161 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -2.565 -3.502 25.918 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -2.029 -4.764 25.276 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -6.679 -6.918 13.602 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -6.762 -6.029 13.948 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -5.789 -7.183 13.833 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 3.520 -6.169 25.996 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 2.604 -5.906 25.908 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 3.856 -6.172 25.099 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 2.122 -2.418 20.092 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 1.325 -2.833 19.763 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 2.567 -3.109 20.583 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -9.296 -9.044 20.451 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -9.525 -8.985 19.524 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -9.739 -9.836 20.758 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -6.051 -5.117 26.773 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -5.901 -5.846 26.170 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -6.049 -4.340 26.214 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -5.639 -6.747 24.265 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -5.103 -6.296 23.613 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -6.491 -6.855 23.843 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -4.057 -1.308 24.505 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -3.306 -1.464 23.932 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -4.396 -0.456 24.229 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 0.359 -3.493 29.533 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 0.551 -4.424 29.422 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 1.216 -3.068 29.523 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -4.833 -9.291 24.697 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -4.931 -8.344 24.591 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -5.576 -9.663 24.221 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -3.569 -4.969 28.260 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -3.805 -5.189 29.162 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -4.352 -5.176 27.751 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -0.853 -5.842 27.336 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -1.801 -5.810 27.468 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -0.541 -6.467 27.990 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 0.781 -7.208 29.341 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 0.684 -8.160 29.335 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 0.459 -6.939 30.202 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -4.611 -9.997 27.368 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -3.899 -10.637 27.354 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -4.712 -9.730 26.454 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -4.258 -8.314 29.422 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -4.389 -8.790 28.601 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -4.857 -7.570 29.366 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 4.251 -3.704 11.783 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 4.348 -3.037 11.103 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 4.111 -4.520 11.301 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 3.421 -2.324 17.404 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 3.271 -3.269 17.384 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 3.067 -2.043 18.248 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 3.499 -6.296 10.900 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 4.109 -6.668 11.537 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 2.662 -6.718 11.096 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 3.131 -4.741 15.866 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 3.411 -5.648 15.991 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 3.890 -4.307 15.477 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 3.743 -4.160 21.302 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.676 -3.948 21.268 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 3.508 -4.058 22.225 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 3.772 -3.423 24.078 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 2.929 -3.155 24.444 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 4.215 -2.601 23.867 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 6.055 -9.443 29.432 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 6.405 -10.097 28.826 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 6.202 -8.606 28.992 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 3.745 -7.478 15.915 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 3.927 -7.927 16.740 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 3.145 -8.063 15.451 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -10.725 -6.663 20.446 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -10.280 -7.455 20.748 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -10.259 -5.947 20.877 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 5.575 -7.334 27.781 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 4.658 -7.063 27.745 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 5.698 -7.869 26.997 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 5.611 -7.411 12.443 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 6.024 -8.132 11.967 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 6.293 -6.741 12.501 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -12.108 -7.406 15.570 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -13.033 -7.197 15.440 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -11.654 -6.922 14.880 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -12.144 -8.668 23.914 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -12.809 -8.914 24.557 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -12.587 -8.046 23.337 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 4.576 -9.244 25.600 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 3.763 -8.919 25.212 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 4.809 -10.004 25.067 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -8.970 -7.447 11.991 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -8.479 -8.077 11.463 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -8.347 -7.151 12.654 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -3.944 -7.154 14.448 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -3.766 -7.800 15.131 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -3.998 -6.320 14.915 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 0.685 -9.964 28.980 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.761 -10.390 29.834 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 1.578 -9.950 28.638 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 -2.541 -6.480 30.948 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -2.795 -6.461 31.871 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 -2.798 -7.352 30.647 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 3.499 -6.296 29.756 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 4.109 -6.668 30.393 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 2.662 -6.718 29.952 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 11.525 -32.393 8.248 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 11.533 -32.529 7.300 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 10.609 -32.511 8.500 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 9.371 -34.877 6.581 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 9.588 -35.238 7.441 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 8.516 -35.251 6.371 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 8.568 -32.090 4.733 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 8.785 -33.022 4.702 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 8.815 -31.816 5.617 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 12.376 -31.284 10.706 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 13.144 -31.743 11.047 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 12.355 -31.510 9.776 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 8.904 -33.205 9.202 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 8.083 -33.030 8.742 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 8.652 -33.278 10.123 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 11.858 -32.230 5.461 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 11.433 -31.421 5.178 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 12.763 -32.145 5.159 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 11.727 -29.374 4.538 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 10.862 -29.302 4.942 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 11.672 -28.827 3.754 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 8.675 -30.351 2.419 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 8.656 -30.776 3.276 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 9.480 -30.669 2.010 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 11.525 -32.393 27.104 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 11.533 -32.529 26.156 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 10.609 -32.511 27.356 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.873 -33.420 21.278 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 7.819 -33.564 21.259 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 6.760 -32.636 21.815 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 10.117 -30.619 17.423 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 10.269 -30.967 18.302 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 9.266 -30.975 17.168 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 14.592 -31.779 23.577 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 14.955 -30.924 23.344 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 15.124 -32.071 24.318 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 12.761 -30.906 16.807 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 11.811 -30.801 16.859 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 13.112 -30.086 17.152 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.568 -32.090 23.589 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 8.785 -33.022 23.558 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 8.815 -31.816 24.473 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 10.436 -34.202 12.662 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 11.028 -33.503 12.938 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 10.895 -34.635 11.943 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 8.490 -32.816 16.612 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 7.658 -32.343 16.639 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 9.036 -32.306 16.013 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 7.779 -30.203 27.942 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 8.319 -30.420 28.701 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 7.298 -31.009 27.752 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 12.376 -31.284 29.562 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 13.144 -31.743 29.903 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 12.355 -31.510 28.632 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 14.145 -29.143 12.598 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 15.078 -28.985 12.742 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 13.881 -28.468 11.973 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 7.713 -34.507 12.081 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 8.627 -34.428 12.354 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 7.720 -35.194 11.414 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 7.232 -31.033 18.963 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 6.898 -31.914 19.135 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 7.454 -30.688 19.827 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 8.904 -33.205 28.058 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 8.083 -33.030 27.598 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 8.652 -33.278 28.979 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 11.858 -32.230 24.317 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 11.433 -31.421 24.034 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 12.763 -32.145 24.015 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 11.727 -29.374 23.394 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 10.862 -29.302 23.798 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 11.672 -28.827 22.610 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 8.675 -30.351 21.275 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 8.656 -30.776 22.132 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 9.480 -30.669 20.866 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 10.816 -31.641 19.930 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 10.597 -32.557 20.099 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 11.640 -31.501 20.396 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 13.353 -31.171 20.778 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 13.566 -32.059 20.491 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 13.418 -31.205 21.733 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 7.926 -31.127 14.446 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 7.241 -31.165 13.778 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 7.929 -30.214 14.734 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 6.362 -29.114 36.014 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 5.715 -29.576 35.481 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 6.717 -29.786 36.597 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 7.926 -31.127 33.302 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 7.241 -31.165 32.634 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 7.929 -30.214 33.590 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 9.744 -30.207 30.327 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.476 -29.920 31.200 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 10.515 -30.753 30.479 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 9.568 -19.991 3.859 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 9.610 -20.617 4.583 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 10.271 -19.368 4.041 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 10.492 -15.541 2.394 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 10.122 -16.343 2.025 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 11.433 -15.710 2.441 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 7.102 -21.881 -2.213 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 6.654 -21.035 -2.231 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 6.541 -22.461 -2.728 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.812 -19.719 -0.087 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 8.026 -20.489 0.440 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 8.550 -19.630 -0.690 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 8.505 -22.281 1.034 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 9.159 -22.831 1.466 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 8.529 -22.555 0.118 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 10.695 -25.760 4.346 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 10.476 -25.230 3.580 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 10.027 -25.533 4.994 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 10.289 -23.868 2.299 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 10.902 -23.235 2.672 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.801 -24.340 1.642 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.672 -16.120 5.421 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.666 -15.241 5.043 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.818 -16.203 5.846 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 7.793 -16.449 -3.797 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.521 -16.220 -4.686 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 7.838 -15.611 -3.337 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 13.286 -15.609 7.484 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 12.974 -14.827 7.940 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 12.636 -15.762 6.798 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 10.206 -19.411 6.713 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 10.276 -18.760 7.411 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 9.315 -19.308 6.378 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.525 -13.537 8.248 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 11.533 -13.673 7.300 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.609 -13.655 8.500 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 10.117 -11.763 -1.433 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.269 -12.111 -0.554 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 9.266 -12.119 -1.688 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 11.990 -27.551 2.577 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 11.129 -27.638 2.169 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 11.968 -26.695 3.004 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 12.081 -22.585 3.672 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 11.439 -22.626 4.381 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 12.118 -21.659 3.434 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 9.831 -22.265 5.539 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 9.793 -21.865 6.407 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 9.340 -23.082 5.629 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 6.439 -25.149 -0.611 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 7.070 -25.178 0.109 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 6.889 -25.574 -1.341 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 9.950 -17.556 8.819 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 10.683 -17.302 9.380 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 9.170 -17.352 9.334 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 14.606 -23.761 3.971 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 13.771 -23.307 4.081 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 15.130 -23.485 4.723 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.275 -18.253 1.425 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 11.020 -18.255 0.824 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 10.353 -19.077 1.907 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 7.283 -19.792 6.740 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 7.506 -20.210 7.572 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 6.681 -20.405 6.318 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 9.560 -27.900 1.595 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 9.331 -27.841 0.668 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 9.117 -28.692 1.902 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 8.490 -13.960 -2.244 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 7.658 -13.487 -2.217 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 9.036 -13.450 -2.843 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 7.779 -11.347 9.086 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 8.319 -11.564 9.845 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 7.298 -12.153 8.896 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 12.376 -12.428 10.706 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 13.144 -12.887 11.047 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.355 -12.654 9.776 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 8.518 -20.337 9.460 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 8.926 -21.194 9.339 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 8.258 -20.322 10.381 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 12.465 -21.328 6.834 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.847 -20.653 7.115 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 12.809 -21.007 6.001 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 12.805 -23.973 7.917 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 12.955 -24.702 7.314 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 12.807 -23.196 7.358 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 13.217 -25.603 5.409 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.753 -25.152 4.757 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.365 -25.711 4.987 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.283 -22.775 9.828 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 10.516 -23.307 9.618 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 11.962 -23.085 9.229 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 14.023 -28.147 5.841 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 13.925 -27.200 5.735 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 13.280 -28.519 5.365 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 15.287 -23.825 9.404 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 15.051 -24.045 10.306 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 14.504 -24.032 8.895 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 14.245 -28.853 8.512 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 14.957 -29.493 8.498 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 14.144 -28.586 7.598 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 14.598 -27.170 10.566 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 14.467 -27.646 9.745 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 13.999 -26.426 10.510 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 6.362 -10.258 -1.698 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 5.715 -10.720 -2.231 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 6.717 -10.930 -1.115 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.232 -12.177 0.107 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 6.898 -13.058 0.279 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 7.454 -11.832 0.971 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 7.312 -19.102 2.558 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 7.496 -19.184 1.623 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.161 -19.226 2.982 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 8.131 -25.519 1.590 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 8.576 -26.311 1.892 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 8.597 -24.803 2.021 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.858 -13.374 5.461 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.433 -12.565 5.178 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.763 -13.289 5.159 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 9.260 -10.118 5.508 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.540 -9.678 5.057 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 8.894 -10.369 6.357 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 11.727 -10.518 4.538 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 10.862 -10.446 4.942 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 11.672 -9.971 3.754 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.675 -11.495 2.419 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.656 -11.920 3.276 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.480 -11.813 2.010 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 10.816 -12.785 1.074 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 10.597 -13.701 1.243 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 11.640 -12.645 1.540 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.568 -19.991 22.715 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 9.610 -20.617 23.439 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 10.271 -19.368 22.897 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.492 -15.541 21.250 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.122 -16.343 20.881 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 11.433 -15.710 21.297 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 7.812 -19.719 18.769 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 8.026 -20.489 19.296 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 8.550 -19.630 18.166 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 11.885 -24.678 19.128 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 11.928 -23.818 18.710 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 11.427 -25.230 18.495 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 14.721 -28.454 20.655 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 14.604 -29.403 20.601 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.866 -28.122 20.928 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 12.039 -18.777 17.990 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 11.709 -19.147 17.171 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 12.627 -19.447 18.336 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 12.406 -20.008 21.623 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 12.971 -19.887 20.860 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.725 -19.371 22.262 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.206 -19.411 25.569 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.276 -18.760 26.267 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.315 -19.308 25.234 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 11.029 -19.707 15.579 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 10.737 -18.939 15.088 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 10.355 -20.367 15.416 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 7.122 -17.344 24.394 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 6.621 -17.372 23.579 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 7.128 -18.250 24.704 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 9.371 -16.021 25.437 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.588 -16.382 26.297 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 8.516 -16.395 25.227 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.990 -27.551 21.433 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.129 -27.638 21.025 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 11.968 -26.695 21.860 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 12.081 -22.585 22.528 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 11.439 -22.626 23.237 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 12.118 -21.659 22.290 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 12.078 -22.364 17.440 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 11.185 -22.705 17.381 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 12.529 -22.741 16.684 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 13.197 -24.891 11.193 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 12.766 -25.336 11.923 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 12.479 -24.519 10.681 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 14.660 -24.937 18.526 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 13.749 -24.880 18.815 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 15.165 -24.997 19.337 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 13.141 -23.308 15.009 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 14.073 -23.179 15.187 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 12.926 -22.638 14.360 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 11.815 -22.113 12.576 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 11.273 -22.493 11.885 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 12.649 -21.919 12.147 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 9.950 -17.556 27.675 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 10.683 -17.302 28.236 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 9.170 -17.352 28.190 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 10.982 -26.013 16.831 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 10.665 -26.915 16.796 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 11.763 -26.011 16.279 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 14.606 -23.761 22.827 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 13.771 -23.307 22.937 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 15.130 -23.485 23.579 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 10.275 -18.253 20.281 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 11.020 -18.255 19.680 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 10.353 -19.077 20.763 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.300 -20.275 27.809 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 14.004 -20.441 26.914 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 15.231 -20.495 27.799 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 12.650 -14.735 17.686 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 13.177 -13.962 17.485 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 11.770 -14.510 17.384 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 12.761 -12.050 16.807 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.811 -11.945 16.859 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 13.112 -11.230 17.152 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 8.568 -13.234 23.589 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 8.785 -14.166 23.558 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.815 -12.960 24.473 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 14.430 -14.783 10.799 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 14.669 -15.531 10.251 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 14.161 -15.171 11.631 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 13.367 -15.213 13.255 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 13.514 -15.733 14.045 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 13.364 -14.306 13.561 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 13.443 -12.472 13.986 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 13.604 -11.672 13.485 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 13.246 -12.165 14.871 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 12.177 -25.774 13.602 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 12.094 -24.885 13.948 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 13.067 -26.039 13.833 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 8.752 -22.682 11.778 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 8.707 -21.743 11.957 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 7.864 -22.918 11.508 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.490 -13.960 16.612 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 7.658 -13.487 16.639 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 9.036 -13.450 16.013 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 7.779 -11.347 27.942 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 8.319 -11.564 28.701 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 7.298 -12.153 27.752 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 7.686 -17.537 28.896 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 7.830 -18.439 28.610 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 6.913 -17.251 28.408 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 12.027 -17.193 11.028 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 12.091 -17.987 11.559 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 12.680 -17.312 10.339 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 8.518 -20.337 28.316 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 8.926 -21.194 28.195 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.258 -20.322 29.237 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 13.176 -19.221 13.334 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 12.717 -19.705 14.020 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 13.431 -19.889 12.698 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 12.465 -21.328 25.690 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.847 -20.653 25.971 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 12.809 -21.007 24.857 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 12.805 -23.973 26.773 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.955 -24.702 26.170 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 12.807 -23.196 26.214 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 13.217 -25.603 24.265 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.753 -25.152 23.613 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.365 -25.711 23.843 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 14.023 -28.147 24.697 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 13.925 -27.200 24.591 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 13.280 -28.519 24.221 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 15.287 -23.825 28.260 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 15.051 -24.045 29.162 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 14.504 -24.032 27.751 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 14.245 -28.853 27.368 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 14.957 -29.493 27.354 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 14.144 -28.586 26.454 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 14.598 -27.170 29.422 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 14.467 -27.646 28.601 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 13.999 -26.426 29.366 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 7.312 -19.102 21.414 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 7.496 -19.184 20.479 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 8.161 -19.226 21.838 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 8.904 -14.349 28.058 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.083 -14.174 27.598 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.652 -14.422 28.979 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 9.260 -10.118 24.364 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 8.540 -9.678 23.913 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 8.894 -10.369 25.213 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.675 -11.495 21.275 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 8.656 -11.920 22.132 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 9.480 -11.813 20.866 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 10.816 -12.785 19.930 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.597 -13.701 20.099 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 11.640 -12.645 20.396 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 13.353 -12.315 20.778 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 13.566 -13.203 20.491 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 13.418 -12.349 21.733 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 13.768 -28.090 17.558 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 14.642 -27.702 17.528 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 13.632 -28.305 18.481 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 14.912 -26.010 14.448 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 15.090 -26.656 15.131 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 14.858 -25.176 14.915 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 11.119 -28.152 28.798 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.018 -28.426 28.613 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 10.733 -28.895 29.262 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 9.744 -11.351 11.471 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 9.476 -11.064 12.344 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 10.515 -11.897 11.623 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 7.102 -21.881 35.499 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 6.654 -21.035 35.481 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 6.541 -22.461 34.984 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 7.812 -19.719 37.625 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 8.026 -20.489 38.152 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 8.550 -19.630 37.022 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 8.505 -22.281 38.746 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 9.159 -22.831 39.178 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 8.529 -22.555 37.830 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.793 -16.449 33.915 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.521 -16.220 33.026 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 7.838 -15.611 34.375 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 11.029 -19.707 34.435 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 10.737 -18.939 33.944 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.355 -20.367 34.272 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 12.078 -22.364 36.296 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 11.185 -22.705 36.237 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 12.529 -22.741 35.540 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 13.197 -24.891 30.049 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 12.766 -25.336 30.779 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 12.479 -24.519 29.537 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 6.439 -25.149 37.101 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.070 -25.178 37.821 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 6.889 -25.574 36.371 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 9.488 -23.308 36.209 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 8.599 -23.208 35.869 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 9.784 -24.150 35.863 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.141 -23.308 33.865 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 14.073 -23.179 34.043 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 12.926 -22.638 33.216 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 11.815 -22.113 31.432 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 11.273 -22.493 30.741 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 12.649 -21.919 31.003 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 10.982 -26.013 35.687 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 10.665 -26.915 35.652 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 11.763 -26.011 35.135 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.405 -19.873 31.129 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 9.021 -19.246 31.508 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.543 -19.557 31.400 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 9.820 -17.960 32.621 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.134 -17.608 33.188 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 10.343 -17.197 32.375 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.177 -25.774 32.458 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.094 -24.885 32.804 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 13.067 -26.039 32.689 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 14.247 -20.978 30.453 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 14.067 -21.132 29.525 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 15.198 -20.870 30.497 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.713 -15.651 30.937 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.627 -15.572 31.210 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 7.720 -16.338 30.270 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.131 -25.519 39.302 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.576 -26.311 39.604 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.597 -24.803 39.733 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 9.188 -28.017 36.601 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 8.411 -28.251 36.093 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 9.719 -28.814 36.609 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 8.025 -28.219 32.404 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 8.464 -27.608 31.813 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 7.391 -27.681 32.878 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 7.283 -0.936 -12.116 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 7.506 -1.354 -11.284 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 6.681 -1.549 -12.538 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 7.686 1.319 -8.816 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 7.830 0.417 -9.102 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 6.913 1.605 -9.304 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 6.910 -4.975 -10.157 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 7.829 -5.097 -9.921 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 6.460 -5.725 -9.768 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 6.435 -3.664 -16.197 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 6.927 -3.885 -16.987 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 6.797 -2.823 -15.916 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 6.712 -8.668 -13.798 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 6.047 -8.914 -13.155 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 6.269 -8.046 -14.375 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.714 -5.547 -5.187 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.188 -4.956 -5.772 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 6.996 -5.016 -4.840 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.752 -3.826 -7.078 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.707 -2.887 -6.899 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 7.864 -4.062 -7.348 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 9.560 -9.044 1.595 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 9.331 -8.985 0.668 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.117 -9.836 1.902 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 6.910 -4.975 8.699 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 7.829 -5.097 8.935 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 6.460 -5.725 9.088 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 6.712 -8.668 5.058 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 6.047 -8.914 5.701 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 6.269 -8.046 4.481 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.146 -8.647 8.406 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 8.780 -9.412 8.849 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 10.059 -8.618 8.693 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 11.119 -9.296 9.942 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 12.018 -9.570 9.757 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 10.733 -10.039 10.406 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 7.102 -3.025 16.643 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 6.654 -2.179 16.625 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 6.541 -3.605 16.128 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 11.885 -5.822 19.128 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 11.928 -4.962 18.710 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 11.427 -6.374 18.495 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.505 -3.425 19.890 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.159 -3.975 20.322 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.529 -3.699 18.974 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 10.695 -6.904 23.202 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 10.476 -6.374 22.436 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 10.027 -6.677 23.850 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.289 -5.012 21.155 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.902 -4.379 21.528 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 10.801 -5.484 20.498 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 11.990 -8.695 21.433 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 11.129 -8.782 21.025 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 11.968 -7.839 21.860 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 7.714 -5.547 13.669 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 8.188 -4.956 13.084 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 6.996 -5.016 14.016 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 9.488 -4.452 17.353 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.599 -4.352 17.013 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 9.784 -5.294 17.007 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.982 -7.157 16.831 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 10.665 -8.059 16.796 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 11.763 -7.155 16.279 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 12.177 -6.918 13.602 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 12.094 -6.029 13.948 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 13.067 -7.183 13.833 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.560 -9.044 20.451 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.331 -8.985 19.524 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.117 -9.836 20.758 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 8.131 -6.663 20.446 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 8.576 -7.455 20.748 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 8.597 -5.947 20.877 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 6.435 -3.664 21.515 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 6.927 -3.885 20.725 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 6.797 -2.823 21.796 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 6.712 -8.668 23.914 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 6.047 -8.914 24.557 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 6.269 -8.046 23.337 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 13.768 -9.234 17.558 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 14.642 -8.846 17.528 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 13.632 -9.449 18.481 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.886 -7.447 11.991 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 10.377 -8.077 11.463 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.509 -7.151 12.654 0.00 0.00 WAT1 END