REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:17 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.550 -29.156 -5.231 1.00 71.31 ATOM 2 CB MET 1 3.012 -27.518 -6.539 1.00 32.12 ATOM 3 HB1 MET 1 3.918 -27.048 -6.903 1.00 36.71 ATOM 4 HB2 MET 1 2.355 -26.739 -6.173 1.00 45.43 ATOM 5 CG MET 1 2.347 -28.221 -7.711 1.00 54.22 ATOM 6 HG1 MET 1 2.742 -29.224 -7.806 1.00 36.71 ATOM 7 HG2 MET 1 2.570 -27.668 -8.611 1.00 50.44 ATOM 8 SD MET 1 0.555 -28.319 -7.536 1.00 53.14 ATOM 9 CE MET 1 0.096 -26.605 -7.784 1.00 21.33 ATOM 10 HE1 MET 1 0.552 -26.238 -8.692 1.00 73.43 ATOM 11 HE2 MET 1 0.435 -26.015 -6.946 1.00 30.43 ATOM 12 HE3 MET 1 -0.978 -26.529 -7.865 1.00 62.33 ATOM 13 C MET 1 4.625 -29.242 -5.712 1.00 61.22 ATOM 14 O MET 1 4.575 -30.450 -5.939 1.00 71.31 ATOM 15 N MET 1 3.528 -27.697 -4.148 1.00 2.04 ATOM 16 HT1 MET 1 4.282 -26.985 -4.244 1.00 36.71 ATOM 17 HT2 MET 1 3.764 -28.319 -3.360 1.00 36.71 ATOM 18 HT3 MET 1 2.642 -27.202 -3.912 1.00 36.71 ATOM 19 CA MET 1 3.361 -28.456 -5.382 1.00 15.15 ATOM 20 N GLY 2 5.759 -28.548 -5.738 1.00 51.11 ATOM 21 HN GLY 2 5.746 -27.578 -5.589 1.00 36.71 ATOM 22 CA GLY 2 7.020 -29.198 -6.043 1.00 21.15 ATOM 23 HA1 GLY 2 7.526 -28.616 -6.799 1.00 36.71 ATOM 24 HA2 GLY 2 6.855 -30.195 -6.435 1.00 51.14 ATOM 25 C GLY 2 7.928 -29.296 -4.833 1.00 65.41 ATOM 26 O GLY 2 8.777 -30.186 -4.755 1.00 51.53 ATOM 27 N HIS 3 7.753 -28.380 -3.887 1.00 15.34 ATOM 28 HN HIS 3 7.066 -27.687 -3.991 1.00 36.71 ATOM 29 CA HIS 3 8.564 -28.366 -2.675 1.00 24.31 ATOM 30 HA HIS 3 9.510 -28.856 -2.877 1.00 73.43 ATOM 31 CB HIS 3 8.851 -26.928 -2.244 1.00 2.32 ATOM 32 HB1 HIS 3 9.464 -26.938 -1.352 1.00 36.71 ATOM 33 HB2 HIS 3 7.917 -26.429 -2.026 1.00 31.44 ATOM 34 CG HIS 3 9.571 -26.123 -3.282 1.00 61.41 ATOM 35 ND1 HIS 3 10.578 -26.640 -4.070 1.00 74.32 ATOM 36 HD1 HIS 3 10.919 -27.558 -4.034 1.00 62.04 ATOM 37 CD2 HIS 3 9.424 -24.832 -3.661 1.00 30.30 ATOM 38 HD2 HIS 3 8.720 -24.120 -3.253 1.00 44.13 ATOM 39 CE1 HIS 3 11.020 -25.701 -4.888 1.00 33.52 ATOM 40 HE1 HIS 3 11.806 -25.819 -5.619 1.00 32.25 ATOM 41 NE2 HIS 3 10.336 -24.595 -4.660 1.00 13.31 ATOM 42 HE2 HIS 3 10.520 -23.723 -5.067 1.00 36.71 ATOM 43 C HIS 3 7.867 -29.119 -1.546 1.00 24.04 ATOM 44 O HIS 3 8.449 -30.014 -0.931 1.00 35.00 ATOM 45 N HIS 4 6.619 -28.750 -1.277 1.00 10.21 ATOM 46 HN HIS 4 6.198 -28.028 -1.797 1.00 36.71 ATOM 47 CA HIS 4 5.843 -29.390 -0.221 1.00 72.20 ATOM 48 HA HIS 4 4.886 -28.889 -0.164 1.00 23.41 ATOM 49 CB HIS 4 5.627 -30.869 -0.543 1.00 62.31 ATOM 50 HB1 HIS 4 5.428 -31.421 0.367 1.00 36.71 ATOM 51 HB2 HIS 4 6.500 -31.287 -1.011 1.00 12.41 ATOM 52 CG HIS 4 4.468 -31.120 -1.458 1.00 62.20 ATOM 53 ND1 HIS 4 3.359 -31.849 -1.085 1.00 13.13 ATOM 54 HD1 HIS 4 3.216 -32.267 -0.210 1.00 75.35 ATOM 55 CD2 HIS 4 4.250 -30.733 -2.736 1.00 74.15 ATOM 56 HD2 HIS 4 4.926 -30.160 -3.341 1.00 33.41 ATOM 57 CE1 HIS 4 2.509 -31.901 -2.095 1.00 15.35 ATOM 58 HE1 HIS 4 1.554 -32.405 -2.091 1.00 24.12 ATOM 59 NE2 HIS 4 3.025 -31.231 -3.109 1.00 1.11 ATOM 60 HE2 HIS 4 2.560 -31.029 -3.948 1.00 36.71 ATOM 61 C HIS 4 6.540 -29.248 1.129 1.00 41.35 ATOM 62 O HIS 4 6.380 -30.089 2.013 1.00 23.14 ATOM 63 N HIS 5 7.315 -28.178 1.279 1.00 13.10 ATOM 64 HN HIS 5 7.390 -27.512 0.562 1.00 36.71 ATOM 65 CA HIS 5 8.037 -27.925 2.521 1.00 72.51 ATOM 66 HA HIS 5 7.804 -28.707 3.233 1.00 73.05 ATOM 67 CB HIS 5 9.545 -27.922 2.267 1.00 15.32 ATOM 68 HB1 HIS 5 10.052 -27.419 3.082 1.00 36.71 ATOM 69 HB2 HIS 5 9.750 -27.393 1.347 1.00 44.04 ATOM 70 CG HIS 5 10.136 -29.293 2.153 1.00 41.13 ATOM 71 ND1 HIS 5 9.740 -30.352 2.943 1.00 45.53 ATOM 72 HD1 HIS 5 9.062 -30.322 3.648 1.00 70.32 ATOM 73 CD2 HIS 5 11.099 -29.776 1.333 1.00 74.31 ATOM 74 HD2 HIS 5 11.636 -29.220 0.577 1.00 42.00 ATOM 75 CE1 HIS 5 10.435 -31.426 2.615 1.00 22.30 ATOM 76 HE1 HIS 5 10.339 -32.402 3.066 1.00 2.43 ATOM 77 NE2 HIS 5 11.266 -31.104 1.640 1.00 21.12 ATOM 78 HE2 HIS 5 11.961 -31.690 1.274 1.00 36.71 ATOM 79 C HIS 5 7.609 -26.597 3.137 1.00 4.15 ATOM 80 O HIS 5 8.063 -25.532 2.718 1.00 4.33 ATOM 81 N HIS 6 6.733 -26.667 4.134 1.00 20.45 ATOM 82 HN HIS 6 6.405 -27.545 4.435 1.00 36.71 ATOM 83 CA HIS 6 6.244 -25.470 4.809 1.00 41.13 ATOM 84 HA HIS 6 6.747 -24.599 4.408 1.00 32.23 ATOM 85 CB HIS 6 4.742 -25.306 4.577 1.00 34.35 ATOM 86 HB1 HIS 6 4.572 -25.112 3.528 1.00 36.71 ATOM 87 HB2 HIS 6 4.373 -24.467 5.153 1.00 52.11 ATOM 88 CG HIS 6 3.943 -26.516 4.953 1.00 73.22 ATOM 89 ND1 HIS 6 3.734 -27.576 4.096 1.00 62.13 ATOM 90 HD1 HIS 6 4.075 -27.647 3.180 1.00 43.43 ATOM 91 CD2 HIS 6 3.301 -26.832 6.102 1.00 52.20 ATOM 92 HD2 HIS 6 3.254 -26.227 6.997 1.00 75.30 ATOM 93 CE1 HIS 6 2.997 -28.490 4.701 1.00 62.43 ATOM 94 HE1 HIS 6 2.676 -29.428 4.272 1.00 44.14 ATOM 95 NE2 HIS 6 2.721 -28.063 5.920 1.00 62.33 ATOM 96 HE2 HIS 6 2.110 -28.503 6.548 1.00 36.71 ATOM 97 C HIS 6 6.537 -25.531 6.305 1.00 50.22 ATOM 98 O HIS 6 5.645 -25.334 7.131 1.00 42.01 ATOM 99 N HIS 7 7.792 -25.806 6.647 1.00 52.44 ATOM 100 HN HIS 7 8.470 -25.947 5.946 1.00 36.71 ATOM 101 CA HIS 7 8.202 -25.893 8.044 1.00 40.33 ATOM 102 HA HIS 7 7.326 -25.829 8.681 1.00 33.02 ATOM 103 CB HIS 7 8.904 -27.225 8.309 1.00 52.01 ATOM 104 HB1 HIS 7 9.501 -27.150 9.212 1.00 36.71 ATOM 105 HB2 HIS 7 9.554 -27.456 7.478 1.00 11.43 ATOM 106 CG HIS 7 7.960 -28.375 8.484 1.00 40.34 ATOM 107 ND1 HIS 7 6.976 -28.686 7.570 1.00 55.23 ATOM 108 HD1 HIS 7 6.802 -28.213 6.732 1.00 21.42 ATOM 109 CD2 HIS 7 7.856 -29.292 9.474 1.00 55.32 ATOM 110 HD2 HIS 7 8.474 -29.353 10.359 1.00 50.32 ATOM 111 CE1 HIS 7 6.305 -29.743 7.991 1.00 61.31 ATOM 112 HE1 HIS 7 5.477 -30.211 7.479 1.00 74.21 ATOM 113 NE2 HIS 7 6.820 -30.131 9.144 1.00 14.31 ATOM 114 HE2 HIS 7 6.452 -30.835 9.719 1.00 36.71 ATOM 115 C HIS 7 9.126 -24.736 8.412 1.00 54.51 ATOM 116 O HIS 7 8.866 -23.999 9.364 1.00 30.44 ATOM 117 N HIS 8 10.205 -24.581 7.652 1.00 61.23 ATOM 118 HN HIS 8 10.354 -25.194 6.892 1.00 36.71 ATOM 119 CA HIS 8 11.168 -23.513 7.898 1.00 34.44 ATOM 120 HA HIS 8 11.215 -23.340 8.967 1.00 1.31 ATOM 121 CB HIS 8 12.554 -23.922 7.399 1.00 53.01 ATOM 122 HB1 HIS 8 13.153 -23.037 7.215 1.00 36.71 ATOM 123 HB2 HIS 8 12.453 -24.473 6.475 1.00 60.34 ATOM 124 CG HIS 8 13.311 -24.777 8.367 1.00 22.41 ATOM 125 ND1 HIS 8 13.334 -24.538 9.725 1.00 75.50 ATOM 126 HD1 HIS 8 12.883 -23.802 10.187 1.00 45.42 ATOM 127 CD2 HIS 8 14.075 -25.877 8.168 1.00 41.15 ATOM 128 HD2 HIS 8 14.280 -26.352 7.219 1.00 11.23 ATOM 129 CE1 HIS 8 14.080 -25.453 10.318 1.00 12.25 ATOM 130 HE1 HIS 8 14.278 -25.517 11.378 1.00 73.42 ATOM 131 NE2 HIS 8 14.541 -26.277 9.396 1.00 62.34 ATOM 132 HE2 HIS 8 15.043 -27.099 9.574 1.00 36.71 ATOM 133 C HIS 8 10.730 -22.220 7.219 1.00 51.54 ATOM 134 O HIS 8 10.701 -22.131 5.991 1.00 35.02 ATOM 135 N SER 9 10.390 -21.219 8.025 1.00 53.13 ATOM 136 HN SER 9 10.414 -21.350 8.999 1.00 36.71 ATOM 137 CA SER 9 9.949 -19.931 7.501 1.00 70.31 ATOM 138 HA SER 9 9.904 -19.977 6.420 1.00 33.43 ATOM 139 CB SER 9 8.551 -19.596 8.024 1.00 1.51 ATOM 140 HB1 SER 9 7.817 -20.073 7.391 1.00 36.71 ATOM 141 HB2 SER 9 8.386 -18.526 8.011 1.00 15.12 ATOM 142 OG SER 9 8.374 -20.070 9.348 1.00 44.04 ATOM 143 HG SER 9 7.469 -19.913 9.626 1.00 70.32 ATOM 144 C SER 9 10.927 -18.825 7.884 1.00 22.24 ATOM 145 O SER 9 11.171 -17.900 7.109 1.00 11.34 ATOM 146 N HIS 10 11.485 -18.928 9.086 1.00 3.15 ATOM 147 HN HIS 10 11.229 -19.658 9.690 1.00 36.71 ATOM 148 CA HIS 10 12.438 -17.937 9.574 1.00 20.03 ATOM 149 HA HIS 10 12.876 -17.419 8.729 1.00 32.22 ATOM 150 CB HIS 10 11.731 -16.913 10.462 1.00 11.41 ATOM 151 HB1 HIS 10 11.115 -16.282 9.837 1.00 36.71 ATOM 152 HB2 HIS 10 12.458 -16.294 10.970 1.00 24.32 ATOM 153 CG HIS 10 10.844 -17.530 11.499 1.00 54.30 ATOM 154 ND1 HIS 10 9.480 -17.329 11.539 1.00 40.22 ATOM 155 HD1 HIS 10 8.964 -16.778 10.914 1.00 4.33 ATOM 156 CD2 HIS 10 11.132 -18.349 12.537 1.00 2.23 ATOM 157 HD2 HIS 10 12.111 -18.718 12.809 1.00 52.30 ATOM 158 CE1 HIS 10 8.968 -17.996 12.558 1.00 64.13 ATOM 159 HE1 HIS 10 7.924 -18.024 12.835 1.00 24.53 ATOM 160 NE2 HIS 10 9.950 -18.624 13.180 1.00 41.14 ATOM 161 HE2 HIS 10 9.836 -19.267 13.911 1.00 36.71 ATOM 162 C HIS 10 13.568 -18.606 10.350 1.00 24.23 ATOM 163 O HIS 10 13.555 -19.818 10.563 1.00 21.14 ATOM 164 N MET 11 14.545 -17.808 10.769 1.00 23.33 ATOM 165 HN MET 11 14.508 -16.843 10.572 1.00 36.71 ATOM 166 CA MET 11 15.683 -18.324 11.522 1.00 71.10 ATOM 167 HA MET 11 15.656 -19.407 11.518 1.00 62.34 ATOM 168 CB MET 11 16.995 -17.877 10.874 1.00 30.43 ATOM 169 HB1 MET 11 17.811 -18.394 11.358 1.00 36.71 ATOM 170 HB2 MET 11 17.119 -16.811 11.017 1.00 1.32 ATOM 171 CG MET 11 17.063 -18.159 9.382 1.00 13.30 ATOM 172 HG1 MET 11 16.434 -17.448 8.867 1.00 36.71 ATOM 173 HG2 MET 11 16.702 -19.161 9.193 1.00 11.43 ATOM 174 SD MET 11 18.737 -18.028 8.726 1.00 40.32 ATOM 175 CE MET 11 19.002 -16.259 8.825 1.00 62.11 ATOM 176 HE1 MET 11 19.989 -16.022 8.457 1.00 11.11 ATOM 177 HE2 MET 11 18.915 -15.939 9.853 1.00 52.53 ATOM 178 HE3 MET 11 18.262 -15.750 8.225 1.00 24.34 ATOM 179 C MET 11 15.633 -17.855 12.973 1.00 53.05 ATOM 180 O MET 11 14.676 -17.206 13.392 1.00 53.54 ATOM 181 N ASN 12 16.670 -18.189 13.734 1.00 13.10 ATOM 182 HN ASN 12 17.400 -18.734 13.368 1.00 36.71 ATOM 183 CA ASN 12 16.743 -17.802 15.138 1.00 34.13 ATOM 184 HA ASN 12 17.596 -18.301 15.576 1.00 31.54 ATOM 185 CB ASN 12 16.928 -16.288 15.263 1.00 71.40 ATOM 186 HB1 ASN 12 16.916 -16.010 16.309 1.00 36.71 ATOM 187 HB2 ASN 12 16.122 -15.784 14.754 1.00 34.43 ATOM 188 CG ASN 12 18.239 -15.815 14.666 1.00 61.33 ATOM 189 OD1 ASN 12 18.917 -16.561 13.958 1.00 33.03 ATOM 190 ND2 ASN 12 18.603 -14.570 14.949 1.00 52.00 ATOM 191 HD21 ASN 12 18.022 -14.019 15.520 1.00 23.54 ATOM 192 HD22 ASN 12 19.447 -14.245 14.572 1.00 32.14 ATOM 193 C ASN 12 15.486 -18.235 15.888 1.00 64.41 ATOM 194 O ASN 12 14.927 -17.472 16.675 1.00 32.42 ATOM 195 N SER 13 15.049 -19.465 15.638 1.00 62.44 ATOM 196 HN SER 13 15.553 -20.042 15.016 1.00 36.71 ATOM 197 CA SER 13 13.857 -20.000 16.286 1.00 44.20 ATOM 198 HA SER 13 13.092 -19.244 16.265 1.00 63.22 ATOM 199 CB SER 13 13.351 -21.232 15.534 1.00 22.32 ATOM 200 HB1 SER 13 12.808 -21.885 16.208 1.00 36.71 ATOM 201 HB2 SER 13 14.187 -21.773 15.115 1.00 64.24 ATOM 202 OG SER 13 12.479 -20.864 14.480 1.00 62.03 ATOM 203 HG SER 13 11.603 -20.683 14.832 1.00 33.11 ATOM 204 C SER 13 14.145 -20.360 17.740 1.00 4.13 ATOM 205 O SER 13 13.271 -20.263 18.600 1.00 15.42 ATOM 206 N ALA 14 15.379 -20.776 18.007 1.00 70.40 ATOM 207 HN ALA 14 16.039 -20.849 17.279 1.00 36.71 ATOM 208 CA ALA 14 15.784 -21.149 19.357 1.00 63.45 ATOM 209 HA ALA 14 15.060 -21.840 19.752 1.00 71.03 ATOM 210 CB ALA 14 17.137 -21.845 19.328 1.00 42.10 ATOM 211 HB1 ALA 14 17.041 -22.796 18.830 1.00 53.42 ATOM 212 HB2 ALA 14 17.501 -21.999 20.331 1.00 12.13 ATOM 213 HB3 ALA 14 17.840 -21.231 18.786 1.00 72.04 ATOM 214 C ALA 14 15.833 -19.931 20.272 1.00 42.44 ATOM 215 O ALA 14 15.659 -20.047 21.484 1.00 0.22 ATOM 216 N GLU 15 16.072 -18.763 19.682 1.00 12.05 ATOM 217 HN GLU 15 16.219 -18.726 18.709 1.00 36.71 ATOM 218 CA GLU 15 16.145 -17.523 20.447 1.00 70.33 ATOM 219 HA GLU 15 16.863 -17.660 21.247 1.00 73.11 ATOM 220 CB GLU 15 16.610 -16.373 19.551 1.00 0.15 ATOM 221 HB1 GLU 15 16.410 -15.432 20.054 1.00 36.71 ATOM 222 HB2 GLU 15 16.047 -16.401 18.629 1.00 10.43 ATOM 223 CG GLU 15 18.089 -16.430 19.206 1.00 14.33 ATOM 224 HG1 GLU 15 18.215 -17.021 18.311 1.00 36.71 ATOM 225 HG2 GLU 15 18.627 -16.891 20.021 1.00 1.25 ATOM 226 CD GLU 15 18.685 -15.056 18.967 1.00 21.23 ATOM 227 OE1 GLU 15 19.428 -14.571 19.845 1.00 4.42 ATOM 228 OE2 GLU 15 18.408 -14.467 17.901 1.00 21.23 ATOM 229 C GLU 15 14.792 -17.185 21.066 1.00 31.31 ATOM 230 O GLU 15 14.688 -16.967 22.273 1.00 71.42 ATOM 231 N GLN 16 13.759 -17.144 20.231 1.00 41.55 ATOM 232 HN GLN 16 13.911 -17.325 19.273 1.00 36.71 ATOM 233 CA GLN 16 12.413 -16.831 20.696 1.00 40.24 ATOM 234 HA GLN 16 12.450 -15.894 21.236 1.00 35.13 ATOM 235 CB GLN 16 11.464 -16.673 19.507 1.00 53.04 ATOM 236 HB1 GLN 16 11.842 -15.890 18.866 1.00 36.71 ATOM 237 HB2 GLN 16 10.489 -16.381 19.877 1.00 62.42 ATOM 238 CG GLN 16 11.314 -17.937 18.675 1.00 4.13 ATOM 239 HG1 GLN 16 11.115 -18.778 19.317 1.00 36.71 ATOM 240 HG2 GLN 16 12.236 -18.108 18.145 1.00 13.43 ATOM 241 CD GLN 16 10.179 -17.846 17.674 1.00 24.44 ATOM 242 OE1 GLN 16 9.025 -17.632 18.045 1.00 31.13 ATOM 243 NE2 GLN 16 10.502 -18.010 16.397 1.00 40.43 ATOM 244 HE21 GLN 16 11.433 -18.174 16.154 1.00 23.32 ATOM 245 HE22 GLN 16 9.779 -17.959 15.737 1.00 42.13 ATOM 246 C GLN 16 11.896 -17.916 21.634 1.00 14.00 ATOM 247 O GLN 16 11.090 -17.648 22.527 1.00 64.44 ATOM 248 N THR 17 12.363 -19.143 21.426 1.00 32.35 ATOM 249 HN THR 17 12.994 -19.309 20.688 1.00 36.71 ATOM 250 CA THR 17 11.946 -20.269 22.252 1.00 23.55 ATOM 251 HA THR 17 10.865 -20.336 22.212 1.00 14.11 ATOM 252 CB THR 17 12.529 -21.596 21.729 1.00 3.23 ATOM 253 HB THR 17 13.608 -21.538 21.761 1.00 52.10 ATOM 254 OG1 THR 17 12.117 -21.812 20.375 1.00 12.12 ATOM 255 HG1 THR 17 12.748 -22.386 19.933 1.00 23.15 ATOM 256 CG2 THR 17 12.079 -22.763 22.594 1.00 23.35 ATOM 257 HG21 THR 17 12.276 -23.674 22.062 1.00 70.04 ATOM 258 HG22 THR 17 11.019 -22.692 22.799 1.00 73.14 ATOM 259 HG23 THR 17 12.630 -22.766 23.523 1.00 64.20 ATOM 260 C THR 17 12.375 -20.076 23.703 1.00 51.05 ATOM 261 O THR 17 11.589 -20.287 24.626 1.00 11.12 ATOM 262 N VAL 18 13.627 -19.672 23.896 1.00 33.50 ATOM 263 HN VAL 18 14.196 -19.495 23.114 1.00 36.71 ATOM 264 CA VAL 18 14.159 -19.449 25.235 1.00 44.44 ATOM 265 HA VAL 18 14.143 -20.394 25.764 1.00 55.54 ATOM 266 CB VAL 18 15.614 -18.945 25.183 1.00 62.23 ATOM 267 HB VAL 18 15.633 -17.998 24.660 1.00 10.23 ATOM 268 CG1 VAL 18 16.153 -18.723 26.588 1.00 61.43 ATOM 269 HG11 VAL 18 17.229 -18.599 26.556 1.00 1.33 ATOM 270 HG12 VAL 18 15.910 -19.569 27.213 1.00 34.10 ATOM 271 HG13 VAL 18 15.712 -17.831 27.008 1.00 1.23 ATOM 272 CG2 VAL 18 16.489 -19.925 24.416 1.00 44.24 ATOM 273 HG21 VAL 18 17.480 -19.510 24.308 1.00 21.24 ATOM 274 HG22 VAL 18 16.084 -20.114 23.453 1.00 63.21 ATOM 275 HG23 VAL 18 16.555 -20.853 24.962 1.00 15.42 ATOM 276 C VAL 18 13.311 -18.441 26.002 1.00 5.50 ATOM 277 O VAL 18 12.800 -18.737 27.083 1.00 40.45 ATOM 278 N THR 19 13.165 -17.246 25.437 1.00 61.25 ATOM 279 HN THR 19 13.598 -17.068 24.568 1.00 36.71 ATOM 280 CA THR 19 12.380 -16.193 26.067 1.00 35.02 ATOM 281 HA THR 19 12.811 -15.981 27.029 1.00 70.35 ATOM 282 CB THR 19 12.404 -14.898 25.233 1.00 21.15 ATOM 283 HB THR 19 11.986 -15.104 24.256 1.00 31.22 ATOM 284 OG1 THR 19 13.752 -14.443 25.075 1.00 5.10 ATOM 285 HG1 THR 19 14.177 -14.933 24.367 1.00 60.01 ATOM 286 CG2 THR 19 11.571 -13.812 25.897 1.00 43.52 ATOM 287 HG21 THR 19 11.805 -13.757 26.952 1.00 3.34 ATOM 288 HG22 THR 19 10.520 -14.025 25.769 1.00 45.41 ATOM 289 HG23 THR 19 11.797 -12.862 25.435 1.00 21.14 ATOM 290 C THR 19 10.932 -16.630 26.264 1.00 4.34 ATOM 291 O THR 19 10.314 -16.320 27.283 1.00 64.20 ATOM 292 N TRP 20 10.398 -17.350 25.285 1.00 63.01 ATOM 293 HN TRP 20 10.934 -17.554 24.482 1.00 36.71 ATOM 294 CA TRP 20 9.023 -17.830 25.352 1.00 54.11 ATOM 295 HA TRP 20 8.371 -16.970 25.373 1.00 53.43 ATOM 296 CB TRP 20 8.690 -18.663 24.113 1.00 44.01 ATOM 297 HB1 TRP 20 9.432 -19.435 23.996 1.00 36.71 ATOM 298 HB2 TRP 20 8.707 -18.022 23.244 1.00 54.52 ATOM 299 CG TRP 20 7.341 -19.313 24.178 1.00 2.51 ATOM 300 CD1 TRP 20 6.162 -18.719 24.527 1.00 11.02 ATOM 301 HD1 TRP 20 6.062 -17.680 24.805 1.00 53.04 ATOM 302 CD2 TRP 20 7.034 -20.680 23.888 1.00 31.53 ATOM 303 NE1 TRP 20 5.140 -19.636 24.472 1.00 53.31 ATOM 304 HE1 TRP 20 4.200 -19.452 24.678 1.00 71.40 ATOM 305 CE2 TRP 20 5.648 -20.846 24.082 1.00 64.14 ATOM 306 CE3 TRP 20 7.793 -21.781 23.482 1.00 4.12 ATOM 307 HE3 TRP 20 8.858 -21.696 23.323 1.00 63.31 ATOM 308 CZ2 TRP 20 5.010 -22.068 23.884 1.00 43.34 ATOM 309 HZ2 TRP 20 3.947 -22.188 24.033 1.00 62.11 ATOM 310 CZ3 TRP 20 7.159 -22.993 23.286 1.00 13.45 ATOM 311 HZ3 TRP 20 7.726 -23.852 22.974 1.00 34.51 ATOM 312 CH2 TRP 20 5.778 -23.128 23.486 1.00 24.23 ATOM 313 HH2 TRP 20 5.338 -24.083 23.320 1.00 71.42 ATOM 314 C TRP 20 8.796 -18.658 26.612 1.00 13.41 ATOM 315 O TRP 20 7.738 -18.576 27.238 1.00 21.23 ATOM 316 N LEU 21 9.794 -19.454 26.979 1.00 13.34 ATOM 317 HN LEU 21 10.617 -19.486 26.437 1.00 36.71 ATOM 318 CA LEU 21 9.703 -20.297 28.166 1.00 14.25 ATOM 319 HA LEU 21 8.747 -20.798 28.157 1.00 21.43 ATOM 320 CB LEU 21 10.817 -21.344 28.159 1.00 62.53 ATOM 321 HB1 LEU 21 10.792 -21.869 29.104 1.00 36.71 ATOM 322 HB2 LEU 21 11.763 -20.824 28.082 1.00 45.05 ATOM 323 CG LEU 21 10.748 -22.390 27.046 1.00 75.44 ATOM 324 HG LEU 21 10.751 -21.894 26.093 1.00 41.53 ATOM 325 CD1 LEU 21 11.958 -23.309 27.100 1.00 21.40 ATOM 326 HD11 LEU 21 12.862 -22.724 26.997 1.00 74.40 ATOM 327 HD12 LEU 21 11.905 -24.026 26.292 1.00 25.11 ATOM 328 HD13 LEU 21 11.977 -23.834 28.045 1.00 13.42 ATOM 329 CD2 LEU 21 9.460 -23.195 27.149 1.00 11.24 ATOM 330 HD21 LEU 21 8.611 -22.546 27.001 1.00 21.11 ATOM 331 HD22 LEU 21 9.394 -23.657 28.124 1.00 23.22 ATOM 332 HD23 LEU 21 9.451 -23.965 26.388 1.00 24.22 ATOM 333 C LEU 21 9.786 -19.458 29.438 1.00 62.22 ATOM 334 O LEU 21 9.202 -19.809 30.464 1.00 43.23 ATOM 335 N ILE 22 10.514 -18.349 29.362 1.00 54.12 ATOM 336 HN ILE 22 10.973 -18.123 28.525 1.00 36.71 ATOM 337 CA ILE 22 10.670 -17.459 30.505 1.00 3.15 ATOM 338 HA ILE 22 10.861 -18.059 31.380 1.00 62.54 ATOM 339 CB ILE 22 11.856 -16.495 30.311 1.00 73.23 ATOM 340 HB ILE 22 11.653 -15.881 29.443 1.00 3.02 ATOM 341 CG1 ILE 22 13.148 -17.282 30.080 1.00 11.44 ATOM 342 HG11 ILE 22 12.972 -18.091 29.390 1.00 36.71 ATOM 343 HG12 ILE 22 13.493 -17.697 31.017 1.00 20.14 ATOM 344 CG2 ILE 22 11.996 -15.577 31.516 1.00 75.22 ATOM 345 HG21 ILE 22 12.046 -16.166 32.422 1.00 21.35 ATOM 346 HG22 ILE 22 11.154 -14.905 31.569 1.00 41.33 ATOM 347 HG23 ILE 22 12.901 -14.991 31.425 1.00 52.33 ATOM 348 CD1 ILE 22 14.271 -16.445 29.509 1.00 11.40 ATOM 349 HD11 ILE 22 13.924 -15.895 28.653 1.00 22.51 ATOM 350 HD12 ILE 22 15.084 -17.090 29.213 1.00 1.10 ATOM 351 HD13 ILE 22 14.618 -15.756 30.259 1.00 62.12 ATOM 352 C ILE 22 9.403 -16.646 30.747 1.00 40.21 ATOM 353 O ILE 22 8.907 -16.567 31.871 1.00 35.12 ATOM 354 N THR 23 8.882 -16.043 29.683 1.00 13.40 ATOM 355 HN THR 23 9.332 -16.132 28.812 1.00 36.71 ATOM 356 CA THR 23 7.672 -15.236 29.778 1.00 13.23 ATOM 357 HA THR 23 7.854 -14.434 30.482 1.00 43.04 ATOM 358 CB THR 23 7.307 -14.607 28.420 1.00 5.11 ATOM 359 HB THR 23 8.153 -14.035 28.067 1.00 41.33 ATOM 360 OG1 THR 23 6.182 -13.735 28.570 1.00 11.43 ATOM 361 HG1 THR 23 6.474 -12.888 28.915 1.00 64.33 ATOM 362 CG2 THR 23 6.988 -15.683 27.394 1.00 71.23 ATOM 363 HG21 THR 23 6.781 -15.215 26.443 1.00 44.02 ATOM 364 HG22 THR 23 6.129 -16.258 27.699 1.00 4.34 ATOM 365 HG23 THR 23 7.834 -16.317 27.294 1.00 33.44 ATOM 366 C THR 23 6.494 -16.068 30.272 1.00 13.34 ATOM 367 O THR 23 5.569 -15.544 30.895 1.00 32.43 ATOM 368 N LEU 24 6.533 -17.366 29.992 1.00 2.50 ATOM 369 HN LEU 24 7.281 -17.733 29.468 1.00 36.71 ATOM 370 CA LEU 24 5.468 -18.271 30.409 1.00 23.22 ATOM 371 HA LEU 24 4.515 -17.801 30.193 1.00 21.13 ATOM 372 CB LEU 24 5.560 -19.588 29.636 1.00 32.03 ATOM 373 HB1 LEU 24 5.129 -20.382 30.240 1.00 36.71 ATOM 374 HB2 LEU 24 6.612 -19.816 29.504 1.00 50.24 ATOM 375 CG LEU 24 4.881 -19.611 28.267 1.00 55.04 ATOM 376 HG LEU 24 5.010 -18.651 27.784 1.00 51.40 ATOM 377 CD1 LEU 24 5.516 -20.665 27.373 1.00 31.13 ATOM 378 HD11 LEU 24 6.031 -21.395 27.971 1.00 33.52 ATOM 379 HD12 LEU 24 6.225 -20.198 26.725 1.00 24.44 ATOM 380 HD13 LEU 24 4.765 -21.158 26.771 1.00 51.22 ATOM 381 CD2 LEU 24 3.388 -19.865 28.416 1.00 74.31 ATOM 382 HD21 LEU 24 2.919 -19.855 27.442 1.00 35.10 ATOM 383 HD22 LEU 24 2.948 -19.091 29.030 1.00 44.33 ATOM 384 HD23 LEU 24 3.226 -20.828 28.882 1.00 10.12 ATOM 385 C LEU 24 5.540 -18.542 31.909 1.00 63.24 ATOM 386 O LEU 24 4.535 -18.862 32.541 1.00 54.21 ATOM 387 N GLY 25 6.737 -18.410 32.472 1.00 24.20 ATOM 388 HN GLY 25 7.520 -18.183 31.933 1.00 36.71 ATOM 389 CA GLY 25 6.918 -18.642 33.893 1.00 21.41 ATOM 390 HA1 GLY 25 6.042 -18.308 34.437 1.00 36.71 ATOM 391 HA2 GLY 25 7.769 -18.067 34.227 1.00 70.50 ATOM 392 C GLY 25 7.168 -20.103 34.215 1.00 52.52 ATOM 393 O GLY 25 6.758 -20.593 35.267 1.00 2.11 ATOM 394 N VAL 26 7.841 -20.801 33.306 1.00 51.55 ATOM 395 HN VAL 26 8.160 -20.354 32.496 1.00 36.71 ATOM 396 CA VAL 26 8.144 -22.214 33.497 1.00 3.33 ATOM 397 HA VAL 26 7.731 -22.550 34.443 1.00 15.44 ATOM 398 CB VAL 26 7.534 -23.076 32.376 1.00 13.15 ATOM 399 HB VAL 26 7.951 -24.074 32.430 1.00 54.32 ATOM 400 CG1 VAL 26 6.028 -23.197 32.556 1.00 50.44 ATOM 401 HG11 VAL 26 5.815 -23.688 33.494 1.00 63.34 ATOM 402 HG12 VAL 26 5.612 -23.769 31.756 1.00 32.33 ATOM 403 HG13 VAL 26 5.589 -22.211 32.562 1.00 45.32 ATOM 404 CG2 VAL 26 7.872 -22.493 31.013 1.00 74.25 ATOM 405 HG21 VAL 26 7.499 -23.153 30.243 1.00 24.10 ATOM 406 HG22 VAL 26 8.941 -22.398 30.903 1.00 74.20 ATOM 407 HG23 VAL 26 7.410 -21.524 30.899 1.00 4.31 ATOM 408 C VAL 26 9.649 -22.451 33.543 1.00 24.35 ATOM 409 O VAL 26 10.124 -23.371 34.212 1.00 12.42 ATOM 410 N LEU 27 10.397 -21.617 32.829 1.00 14.13 ATOM 411 HN LEU 27 9.984 -20.919 32.283 1.00 36.71 ATOM 412 CA LEU 27 11.850 -21.735 32.789 1.00 61.14 ATOM 413 HA LEU 27 12.159 -22.524 33.465 1.00 74.11 ATOM 414 CB LEU 27 12.312 -22.105 31.378 1.00 21.42 ATOM 415 HB1 LEU 27 11.930 -21.345 30.713 1.00 36.71 ATOM 416 HB2 LEU 27 11.865 -23.037 31.106 1.00 23.34 ATOM 417 CG LEU 27 13.824 -22.190 31.168 1.00 43.22 ATOM 418 HG LEU 27 14.279 -21.258 31.444 1.00 41.43 ATOM 419 CD1 LEU 27 14.425 -23.280 32.042 1.00 52.22 ATOM 420 HD11 LEU 27 14.010 -24.236 31.763 1.00 5.54 ATOM 421 HD12 LEU 27 14.211 -23.088 33.078 1.00 71.11 ATOM 422 HD13 LEU 27 15.497 -23.305 31.902 1.00 41.40 ATOM 423 CD2 LEU 27 14.145 -22.442 29.702 1.00 45.32 ATOM 424 HD21 LEU 27 15.217 -22.476 29.566 1.00 23.32 ATOM 425 HD22 LEU 27 13.736 -21.643 29.099 1.00 65.02 ATOM 426 HD23 LEU 27 13.714 -23.384 29.390 1.00 64.12 ATOM 427 C LEU 27 12.515 -20.435 33.229 1.00 53.43 ATOM 428 O LEU 27 12.058 -19.346 32.883 1.00 40.42 ATOM 429 N GLU 28 13.596 -20.557 33.992 1.00 64.43 ATOM 430 HN GLU 28 13.909 -21.453 34.248 1.00 36.71 ATOM 431 CA GLU 28 14.324 -19.391 34.477 1.00 3.13 ATOM 432 HA GLU 28 13.612 -18.704 34.917 1.00 31.14 ATOM 433 CB GLU 28 15.333 -19.802 35.552 1.00 70.52 ATOM 434 HB1 GLU 28 14.843 -20.460 36.257 1.00 36.71 ATOM 435 HB2 GLU 28 15.663 -18.914 36.073 1.00 54.11 ATOM 436 CG GLU 28 16.555 -20.515 34.998 1.00 23.10 ATOM 437 HG1 GLU 28 17.069 -19.865 34.307 1.00 36.71 ATOM 438 HG2 GLU 28 16.235 -21.406 34.480 1.00 0.53 ATOM 439 CD GLU 28 17.538 -20.915 36.081 1.00 31.34 ATOM 440 OE1 GLU 28 17.343 -21.987 36.692 1.00 72.42 ATOM 441 OE2 GLU 28 18.501 -20.157 36.319 1.00 22.21 ATOM 442 C GLU 28 15.044 -18.683 33.333 1.00 60.43 ATOM 443 O GLU 28 15.185 -19.233 32.240 1.00 4.23 ATOM 444 N SER 29 15.497 -17.461 33.592 1.00 55.21 ATOM 445 HN SER 29 15.371 -17.078 34.493 1.00 36.71 ATOM 446 CA SER 29 16.198 -16.675 32.583 1.00 32.40 ATOM 447 HA SER 29 15.863 -17.002 31.611 1.00 45.21 ATOM 448 CB SER 29 15.863 -15.191 32.739 1.00 40.35 ATOM 449 HB1 SER 29 14.974 -15.076 33.345 1.00 36.71 ATOM 450 HB2 SER 29 15.685 -14.754 31.772 1.00 63.23 ATOM 451 OG SER 29 16.926 -14.491 33.361 1.00 2.32 ATOM 452 HG SER 29 16.890 -14.626 34.312 1.00 44.34 ATOM 453 C SER 29 17.706 -16.882 32.685 1.00 11.25 ATOM 454 O SER 29 18.230 -17.322 33.709 1.00 70.11 ATOM 455 N PRO 30 18.422 -16.556 31.599 1.00 71.30 ATOM 456 CA PRO 30 19.880 -16.697 31.541 1.00 50.45 ATOM 457 HA PRO 30 20.194 -17.697 31.806 1.00 22.21 ATOM 458 CB PRO 30 20.203 -16.430 30.068 1.00 3.54 ATOM 459 HB1 PRO 30 20.223 -17.371 29.554 1.00 36.71 ATOM 460 HB2 PRO 30 21.157 -15.934 29.949 1.00 11.10 ATOM 461 CG PRO 30 19.081 -15.580 29.582 1.00 15.31 ATOM 462 HG1 PRO 30 18.932 -15.723 28.525 1.00 36.71 ATOM 463 HG2 PRO 30 19.292 -14.542 29.792 1.00 0.04 ATOM 464 CD PRO 30 17.863 -16.026 30.344 1.00 3.20 ATOM 465 HD1 PRO 30 17.336 -16.795 29.798 1.00 36.71 ATOM 466 HD2 PRO 30 17.226 -15.183 30.516 1.00 64.55 ATOM 467 C PRO 30 20.595 -15.689 32.434 1.00 25.43 ATOM 468 O PRO 30 19.965 -14.988 33.226 1.00 41.24 ATOM 469 N LYS 31 21.916 -15.622 32.303 1.00 70.30 ATOM 470 HN LYS 31 22.376 -16.238 31.690 1.00 36.71 ATOM 471 CA LYS 31 22.718 -14.700 33.097 1.00 4.41 ATOM 472 HA LYS 31 22.075 -14.171 33.792 1.00 1.32 ATOM 473 CB LYS 31 23.780 -15.466 33.889 1.00 31.23 ATOM 474 HB1 LYS 31 24.670 -14.858 33.995 1.00 36.71 ATOM 475 HB2 LYS 31 24.047 -16.359 33.337 1.00 4.30 ATOM 476 CG LYS 31 23.315 -15.899 35.269 1.00 74.12 ATOM 477 HG1 LYS 31 23.874 -16.777 35.565 1.00 36.71 ATOM 478 HG2 LYS 31 22.261 -16.147 35.234 1.00 41.21 ATOM 479 CD LYS 31 23.524 -14.801 36.298 1.00 54.11 ATOM 480 HD1 LYS 31 22.957 -15.047 37.184 1.00 36.71 ATOM 481 HD2 LYS 31 23.175 -13.857 35.901 1.00 11.13 ATOM 482 CE LYS 31 24.990 -14.666 36.679 1.00 51.10 ATOM 483 HE1 LYS 31 25.518 -14.186 35.869 1.00 36.71 ATOM 484 HE2 LYS 31 25.409 -15.649 36.849 1.00 22.42 ATOM 485 NZ LYS 31 25.169 -13.856 37.916 1.00 43.24 ATOM 486 HZ1 LYS 31 24.788 -12.896 37.779 1.00 42.23 ATOM 487 HZ2 LYS 31 26.180 -13.782 38.148 1.00 51.33 ATOM 488 HZ3 LYS 31 24.675 -14.303 38.717 1.00 21.22 ATOM 489 C LYS 31 23.387 -13.656 32.208 1.00 64.31 ATOM 490 O LYS 31 23.634 -12.528 32.634 1.00 10.14 ATOM 491 N LYS 32 23.678 -14.040 30.969 1.00 12.24 ATOM 492 HN LYS 32 23.506 -14.962 30.683 1.00 36.71 ATOM 493 CA LYS 32 24.316 -13.137 30.018 1.00 33.42 ATOM 494 HA LYS 32 24.019 -12.120 30.245 1.00 20.40 ATOM 495 CB LYS 32 25.839 -13.241 30.128 1.00 14.44 ATOM 496 HB1 LYS 32 26.131 -12.898 31.110 1.00 36.71 ATOM 497 HB2 LYS 32 26.295 -12.594 29.391 1.00 14.21 ATOM 498 CG LYS 32 26.367 -14.654 29.953 1.00 12.20 ATOM 499 HG1 LYS 32 25.764 -15.183 29.225 1.00 36.71 ATOM 500 HG2 LYS 32 26.308 -15.164 30.903 1.00 73.14 ATOM 501 CD LYS 32 27.815 -14.655 29.492 1.00 13.11 ATOM 502 HD1 LYS 32 28.453 -14.455 30.341 1.00 36.71 ATOM 503 HD2 LYS 32 27.959 -13.886 28.743 1.00 14.30 ATOM 504 CE LYS 32 28.205 -15.993 28.884 1.00 22.45 ATOM 505 HE1 LYS 32 29.075 -15.844 28.262 1.00 36.71 ATOM 506 HE2 LYS 32 27.393 -16.368 28.273 1.00 43.41 ATOM 507 NZ LYS 32 28.534 -17.002 29.929 1.00 24.05 ATOM 508 HZ1 LYS 32 29.333 -16.674 30.510 1.00 31.12 ATOM 509 HZ2 LYS 32 28.796 -17.903 29.482 1.00 1.14 ATOM 510 HZ3 LYS 32 27.712 -17.165 30.547 1.00 44.33 ATOM 511 C LYS 32 23.876 -13.451 28.592 1.00 62.33 ATOM 512 O LYS 32 23.084 -14.366 28.361 1.00 2.25 ATOM 513 N THR 33 24.396 -12.688 27.635 1.00 3.04 ATOM 514 HN THR 33 25.005 -11.952 27.877 1.00 36.71 ATOM 515 CA THR 33 24.058 -12.885 26.232 1.00 51.04 ATOM 516 HA THR 33 23.006 -12.647 26.116 1.00 74.21 ATOM 517 CB THR 33 24.871 -11.945 25.321 1.00 75.54 ATOM 518 HB THR 33 25.904 -12.274 25.303 1.00 73.14 ATOM 519 OG1 THR 33 24.823 -10.608 25.829 1.00 13.33 ATOM 520 HG1 THR 33 25.593 -10.440 26.379 1.00 13.43 ATOM 521 CG2 THR 33 24.332 -11.972 23.898 1.00 23.01 ATOM 522 HG21 THR 33 24.472 -12.954 23.472 1.00 74.05 ATOM 523 HG22 THR 33 24.865 -11.246 23.302 1.00 55.43 ATOM 524 HG23 THR 33 23.279 -11.727 23.901 1.00 55.23 ATOM 525 C THR 33 24.304 -14.327 25.804 1.00 61.22 ATOM 526 O THR 33 25.362 -14.894 26.079 1.00 42.12 ATOM 527 N ILE 34 23.322 -14.915 25.130 1.00 72.35 ATOM 528 HN ILE 34 22.497 -14.415 24.930 1.00 36.71 ATOM 529 CA ILE 34 23.434 -16.291 24.662 1.00 33.53 ATOM 530 HA ILE 34 24.295 -16.755 25.138 1.00 25.32 ATOM 531 CB ILE 34 22.193 -17.119 25.047 1.00 24.34 ATOM 532 HB ILE 34 21.339 -16.735 24.505 1.00 45.33 ATOM 533 CG1 ILE 34 21.919 -16.999 26.548 1.00 70.41 ATOM 534 HG11 ILE 34 21.763 -15.960 26.803 1.00 36.71 ATOM 535 HG12 ILE 34 22.769 -17.375 27.099 1.00 3.23 ATOM 536 CG2 ILE 34 22.386 -18.576 24.653 1.00 32.13 ATOM 537 HG21 ILE 34 23.235 -18.985 25.183 1.00 4.11 ATOM 538 HG22 ILE 34 22.560 -18.654 23.591 1.00 32.24 ATOM 539 HG23 ILE 34 21.509 -19.151 24.895 1.00 44.21 ATOM 540 CD1 ILE 34 20.698 -17.768 27.002 1.00 30.21 ATOM 541 HD11 ILE 34 19.998 -17.082 27.438 1.00 12.23 ATOM 542 HD12 ILE 34 20.987 -18.498 27.742 1.00 0.11 ATOM 543 HD13 ILE 34 20.217 -18.271 26.176 1.00 24.14 ATOM 544 C ILE 34 23.617 -16.345 23.149 1.00 23.25 ATOM 545 O ILE 34 22.682 -16.092 22.391 1.00 55.01 ATOM 546 N SER 35 24.829 -16.679 22.717 1.00 3.44 ATOM 547 HN SER 35 25.537 -16.889 23.372 1.00 36.71 ATOM 548 CA SER 35 25.137 -16.764 21.295 1.00 71.14 ATOM 549 HA SER 35 24.565 -16.008 20.770 1.00 3.54 ATOM 550 CB SER 35 26.624 -16.498 21.056 1.00 44.21 ATOM 551 HB1 SER 35 26.868 -15.506 21.408 1.00 36.71 ATOM 552 HB2 SER 35 26.842 -16.565 19.999 1.00 31.11 ATOM 553 OG SER 35 27.428 -17.436 21.750 1.00 62.23 ATOM 554 HG SER 35 28.342 -17.142 21.742 1.00 11.21 ATOM 555 C SER 35 24.758 -18.133 20.738 1.00 30.22 ATOM 556 O SER 35 24.473 -18.275 19.549 1.00 60.10 ATOM 557 N ASP 36 24.757 -19.138 21.607 1.00 23.11 ATOM 558 HN ASP 36 25.006 -18.986 22.545 1.00 36.71 ATOM 559 CA ASP 36 24.413 -20.497 21.204 1.00 13.35 ATOM 560 HA ASP 36 24.202 -20.517 20.142 1.00 30.05 ATOM 561 CB ASP 36 25.590 -21.440 21.457 1.00 34.31 ATOM 562 HB1 ASP 36 25.838 -21.428 22.509 1.00 36.71 ATOM 563 HB2 ASP 36 26.443 -21.100 20.888 1.00 52.02 ATOM 564 CG ASP 36 25.284 -22.869 21.051 1.00 13.35 ATOM 565 OD1 ASP 36 24.404 -23.064 20.188 1.00 73.24 ATOM 566 OD2 ASP 36 25.924 -23.791 21.599 1.00 71.34 ATOM 567 C ASP 36 23.179 -20.990 21.955 1.00 44.50 ATOM 568 O ASP 36 23.263 -21.825 22.855 1.00 20.41 ATOM 569 N PRO 37 22.006 -20.460 21.578 1.00 1.12 ATOM 570 CA PRO 37 20.733 -20.831 22.203 1.00 10.32 ATOM 571 HA PRO 37 20.770 -20.717 23.277 1.00 51.43 ATOM 572 CB PRO 37 19.742 -19.823 21.614 1.00 21.45 ATOM 573 HB1 PRO 37 19.657 -18.977 22.279 1.00 36.71 ATOM 574 HB2 PRO 37 18.766 -20.274 21.479 1.00 51.51 ATOM 575 CG PRO 37 20.342 -19.419 20.312 1.00 1.54 ATOM 576 HG1 PRO 37 20.029 -18.423 20.055 1.00 36.71 ATOM 577 HG2 PRO 37 20.049 -20.115 19.540 1.00 54.22 ATOM 578 CD PRO 37 21.832 -19.459 20.513 1.00 51.53 ATOM 579 HD1 PRO 37 22.179 -18.492 20.832 1.00 36.71 ATOM 580 HD2 PRO 37 22.322 -19.761 19.601 1.00 64.20 ATOM 581 C PRO 37 20.312 -22.255 21.859 1.00 32.44 ATOM 582 O PRO 37 19.456 -22.836 22.525 1.00 33.45 ATOM 583 N GLU 38 20.919 -22.812 20.816 1.00 4.12 ATOM 584 HN GLU 38 21.570 -22.297 20.292 1.00 36.71 ATOM 585 CA GLU 38 20.606 -24.169 20.385 1.00 73.10 ATOM 586 HA GLU 38 19.537 -24.236 20.229 1.00 24.21 ATOM 587 CB GLU 38 21.320 -24.488 19.070 1.00 21.20 ATOM 588 HB1 GLU 38 21.201 -25.544 18.852 1.00 36.71 ATOM 589 HB2 GLU 38 22.372 -24.270 19.184 1.00 23.04 ATOM 590 CG GLU 38 20.796 -23.695 17.885 1.00 70.34 ATOM 591 HG1 GLU 38 21.134 -22.673 17.976 1.00 36.71 ATOM 592 HG2 GLU 38 19.714 -23.717 17.894 1.00 13.04 ATOM 593 CD GLU 38 21.275 -24.247 16.556 1.00 72.31 ATOM 594 OE1 GLU 38 20.436 -24.411 15.645 1.00 11.42 ATOM 595 OE2 GLU 38 22.487 -24.516 16.427 1.00 63.02 ATOM 596 C GLU 38 21.004 -25.185 21.452 1.00 13.32 ATOM 597 O GLU 38 20.324 -26.191 21.651 1.00 3.23 ATOM 598 N GLY 39 22.111 -24.913 22.136 1.00 42.10 ATOM 599 HN GLY 39 22.636 -24.107 21.936 1.00 36.71 ATOM 600 CA GLY 39 22.582 -25.812 23.174 1.00 53.43 ATOM 601 HA1 GLY 39 23.651 -25.691 23.273 1.00 36.71 ATOM 602 HA2 GLY 39 22.377 -26.839 22.895 1.00 35.24 ATOM 603 C GLY 39 21.941 -25.531 24.518 1.00 10.44 ATOM 604 O GLY 39 21.547 -26.454 25.231 1.00 13.45 ATOM 605 N PHE 40 21.838 -24.252 24.867 1.00 31.43 ATOM 606 HN PHE 40 22.182 -23.554 24.259 1.00 36.71 ATOM 607 CA PHE 40 21.243 -23.852 26.137 1.00 31.21 ATOM 608 HA PHE 40 21.865 -24.236 26.933 1.00 71.32 ATOM 609 CB PHE 40 21.191 -22.327 26.242 1.00 3.41 ATOM 610 HB1 PHE 40 20.730 -21.932 25.346 1.00 36.71 ATOM 611 HB2 PHE 40 22.203 -21.948 26.308 1.00 40.42 ATOM 612 CG PHE 40 20.424 -21.833 27.435 1.00 35.51 ATOM 613 CD1 PHE 40 21.006 -21.817 28.692 1.00 4.40 ATOM 614 HD1 PHE 40 22.024 -22.162 28.814 1.00 71.32 ATOM 615 CD2 PHE 40 19.119 -21.386 27.300 1.00 62.34 ATOM 616 HD2 PHE 40 18.650 -21.393 26.325 1.00 75.05 ATOM 617 CE1 PHE 40 20.302 -21.364 29.791 1.00 32.14 ATOM 618 HE1 PHE 40 20.768 -21.357 30.766 1.00 65.44 ATOM 619 CE2 PHE 40 18.410 -20.932 28.395 1.00 34.25 ATOM 620 HE2 PHE 40 17.397 -20.589 28.278 1.00 12.24 ATOM 621 CZ PHE 40 19.002 -20.920 29.643 1.00 63.12 ATOM 622 HZ PHE 40 18.450 -20.566 30.501 1.00 34.43 ATOM 623 C PHE 40 19.839 -24.431 26.287 1.00 61.35 ATOM 624 O PHE 40 19.358 -24.645 27.400 1.00 4.24 ATOM 625 N LEU 41 19.186 -24.683 25.157 1.00 4.13 ATOM 626 HN LEU 41 19.590 -24.454 24.291 1.00 36.71 ATOM 627 CA LEU 41 17.837 -25.237 25.161 1.00 71.02 ATOM 628 HA LEU 41 17.303 -24.827 26.005 1.00 72.34 ATOM 629 CB LEU 41 17.109 -24.866 23.868 1.00 73.13 ATOM 630 HB1 LEU 41 16.315 -25.585 23.690 1.00 36.71 ATOM 631 HB2 LEU 41 17.822 -24.949 23.059 1.00 63.50 ATOM 632 CG LEU 41 16.496 -23.466 23.820 1.00 5.32 ATOM 633 HG LEU 41 17.259 -22.739 24.056 1.00 1.43 ATOM 634 CD1 LEU 41 15.973 -23.159 22.426 1.00 44.25 ATOM 635 HD11 LEU 41 15.600 -22.154 22.399 1.00 14.12 ATOM 636 HD12 LEU 41 15.175 -23.845 22.176 1.00 4.02 ATOM 637 HD13 LEU 41 16.771 -23.267 21.711 1.00 60.53 ATOM 638 CD2 LEU 41 15.384 -23.335 24.850 1.00 53.11 ATOM 639 HD21 LEU 41 15.788 -23.459 25.842 1.00 61.42 ATOM 640 HD22 LEU 41 14.630 -24.089 24.672 1.00 63.15 ATOM 641 HD23 LEU 41 14.932 -22.355 24.774 1.00 2.10 ATOM 642 C LEU 41 17.871 -26.753 25.321 1.00 23.53 ATOM 643 O LEU 41 17.083 -27.325 26.074 1.00 0.11 ATOM 644 N GLN 42 18.791 -27.398 24.610 1.00 11.04 ATOM 645 HN GLN 42 19.388 -26.889 24.012 1.00 36.71 ATOM 646 CA GLN 42 18.929 -28.848 24.676 1.00 74.12 ATOM 647 HA GLN 42 18.008 -29.287 24.317 1.00 53.35 ATOM 648 CB GLN 42 20.080 -29.313 23.783 1.00 43.01 ATOM 649 HB1 GLN 42 21.007 -28.889 24.146 1.00 36.71 ATOM 650 HB2 GLN 42 19.901 -28.940 22.783 1.00 74.22 ATOM 651 CG GLN 42 20.211 -30.825 23.697 1.00 63.10 ATOM 652 HG1 GLN 42 20.582 -31.077 22.714 1.00 36.71 ATOM 653 HG2 GLN 42 19.238 -31.281 23.833 1.00 2.44 ATOM 654 CD GLN 42 21.173 -31.387 24.726 1.00 54.03 ATOM 655 OE1 GLN 42 22.220 -30.800 24.999 1.00 63.41 ATOM 656 NE2 GLN 42 20.821 -32.530 25.303 1.00 14.32 ATOM 657 HE21 GLN 42 19.972 -32.956 25.046 1.00 71.10 ATOM 658 HE22 GLN 42 21.430 -32.909 25.971 1.00 15.20 ATOM 659 C GLN 42 19.164 -29.308 26.111 1.00 61.44 ATOM 660 O GLN 42 18.619 -30.323 26.545 1.00 44.14 ATOM 661 N ALA 43 19.980 -28.556 26.842 1.00 55.41 ATOM 662 HN ALA 43 20.398 -27.758 26.439 1.00 36.71 ATOM 663 CA ALA 43 20.286 -28.886 28.228 1.00 12.43 ATOM 664 HA ALA 43 20.628 -29.913 28.267 1.00 21.43 ATOM 665 CB ALA 43 21.411 -28.001 28.745 1.00 14.02 ATOM 666 HB1 ALA 43 22.276 -28.114 28.108 1.00 32.44 ATOM 667 HB2 ALA 43 21.670 -28.292 29.754 1.00 21.22 ATOM 668 HB3 ALA 43 21.094 -26.967 28.738 1.00 22.13 ATOM 669 C ALA 43 19.051 -28.745 29.112 1.00 51.12 ATOM 670 O ALA 43 18.726 -29.643 29.889 1.00 45.30 ATOM 671 N SER 44 18.366 -27.612 28.988 1.00 62.51 ATOM 672 HN SER 44 18.675 -26.930 28.345 1.00 36.71 ATOM 673 CA SER 44 17.169 -27.353 29.779 1.00 41.51 ATOM 674 HA SER 44 17.413 -27.501 30.823 1.00 14.14 ATOM 675 CB SER 44 16.706 -25.908 29.582 1.00 11.22 ATOM 676 HB1 SER 44 15.627 -25.846 29.660 1.00 36.71 ATOM 677 HB2 SER 44 17.008 -25.553 28.607 1.00 24.10 ATOM 678 OG SER 44 17.265 -25.055 30.566 1.00 13.40 ATOM 679 HG SER 44 16.938 -24.161 30.439 1.00 71.43 ATOM 680 C SER 44 16.047 -28.314 29.399 1.00 64.41 ATOM 681 O SER 44 15.162 -28.603 30.205 1.00 72.53 ATOM 682 N LEU 45 16.092 -28.807 28.166 1.00 33.10 ATOM 683 HN LEU 45 16.812 -28.537 27.552 1.00 36.71 ATOM 684 CA LEU 45 15.080 -29.737 27.677 1.00 73.11 ATOM 685 HA LEU 45 14.138 -29.516 28.165 1.00 22.12 ATOM 686 CB LEU 45 14.894 -29.572 26.167 1.00 23.35 ATOM 687 HB1 LEU 45 14.260 -30.358 25.804 1.00 36.71 ATOM 688 HB2 LEU 45 15.867 -29.681 25.713 1.00 21.55 ATOM 689 CG LEU 45 14.304 -28.240 25.705 1.00 13.34 ATOM 690 HG LEU 45 14.781 -27.431 26.234 1.00 4.41 ATOM 691 CD1 LEU 45 14.546 -28.036 24.218 1.00 40.41 ATOM 692 HD11 LEU 45 13.863 -28.640 23.661 1.00 4.41 ATOM 693 HD12 LEU 45 15.562 -28.307 23.962 1.00 0.11 ATOM 694 HD13 LEU 45 14.383 -26.997 23.972 1.00 33.15 ATOM 695 CD2 LEU 45 12.816 -28.179 26.018 1.00 13.35 ATOM 696 HD21 LEU 45 12.662 -28.334 27.076 1.00 72.51 ATOM 697 HD22 LEU 45 12.294 -28.945 25.463 1.00 14.21 ATOM 698 HD23 LEU 45 12.429 -27.209 25.746 1.00 63.10 ATOM 699 C LEU 45 15.463 -31.178 27.999 1.00 0.24 ATOM 700 O LEU 45 14.612 -32.068 28.023 1.00 5.34 ATOM 701 N LYS 46 16.749 -31.401 28.249 1.00 11.20 ATOM 702 HN LYS 46 17.393 -30.666 28.183 1.00 36.71 ATOM 703 CA LYS 46 17.246 -32.732 28.574 1.00 30.40 ATOM 704 HA LYS 46 17.136 -33.346 27.690 1.00 40.43 ATOM 705 CB LYS 46 18.723 -32.666 28.967 1.00 4.33 ATOM 706 HB1 LYS 46 18.815 -32.407 30.011 1.00 36.71 ATOM 707 HB2 LYS 46 19.201 -31.891 28.382 1.00 61.44 ATOM 708 CG LYS 46 19.481 -33.957 28.709 1.00 54.34 ATOM 709 HG1 LYS 46 19.629 -34.066 27.644 1.00 36.71 ATOM 710 HG2 LYS 46 18.894 -34.774 29.072 1.00 52.23 ATOM 711 CD LYS 46 20.836 -33.955 29.395 1.00 22.30 ATOM 712 HD1 LYS 46 21.201 -32.940 29.500 1.00 36.71 ATOM 713 HD2 LYS 46 21.527 -34.517 28.784 1.00 2.42 ATOM 714 CE LYS 46 20.767 -34.609 30.767 1.00 42.13 ATOM 715 HE1 LYS 46 21.732 -35.042 30.983 1.00 36.71 ATOM 716 HE2 LYS 46 20.026 -35.388 30.775 1.00 34.41 ATOM 717 NZ LYS 46 20.446 -33.623 31.835 1.00 3.15 ATOM 718 HZ1 LYS 46 21.058 -32.782 31.759 1.00 12.51 ATOM 719 HZ2 LYS 46 20.595 -34.055 32.769 1.00 0.12 ATOM 720 HZ3 LYS 46 19.454 -33.327 31.765 1.00 60.03 ATOM 721 C LYS 46 16.435 -33.354 29.706 1.00 22.54 ATOM 722 O LYS 46 15.812 -34.402 29.533 1.00 12.14 ATOM 723 N ASP 47 16.447 -32.702 30.864 1.00 61.53 ATOM 724 HN ASP 47 16.934 -31.848 30.918 1.00 36.71 ATOM 725 CA ASP 47 15.711 -33.191 32.024 1.00 55.41 ATOM 726 HA ASP 47 16.139 -34.139 32.317 1.00 10.13 ATOM 727 CB ASP 47 15.842 -32.208 33.189 1.00 51.15 ATOM 728 HB1 ASP 47 15.539 -32.700 34.101 1.00 36.71 ATOM 729 HB2 ASP 47 15.202 -31.351 33.017 1.00 63.34 ATOM 730 CG ASP 47 17.261 -31.706 33.365 1.00 45.31 ATOM 731 OD1 ASP 47 18.196 -32.533 33.305 1.00 15.25 ATOM 732 OD2 ASP 47 17.438 -30.485 33.561 1.00 24.44 ATOM 733 C ASP 47 14.238 -33.401 31.684 1.00 64.44 ATOM 734 O ASP 47 13.660 -34.440 32.001 1.00 10.32 ATOM 735 N GLY 48 13.638 -32.408 31.036 1.00 15.40 ATOM 736 HN GLY 48 14.139 -31.593 30.806 1.00 36.71 ATOM 737 CA GLY 48 12.238 -32.503 30.665 1.00 71.33 ATOM 738 HA1 GLY 48 11.972 -33.528 30.472 1.00 36.71 ATOM 739 HA2 GLY 48 12.097 -31.941 29.752 1.00 44.11 ATOM 740 C GLY 48 11.317 -31.925 31.721 1.00 40.24 ATOM 741 O GLY 48 10.162 -31.603 31.439 1.00 24.33 ATOM 742 N VAL 49 11.827 -31.793 32.941 1.00 44.01 ATOM 743 HN VAL 49 12.752 -32.028 33.104 1.00 36.71 ATOM 744 CA VAL 49 11.043 -31.250 34.043 1.00 12.13 ATOM 745 HA VAL 49 10.259 -31.959 34.273 1.00 54.41 ATOM 746 CB VAL 49 11.907 -31.051 35.303 1.00 52.03 ATOM 747 HB VAL 49 12.663 -30.306 35.091 1.00 41.22 ATOM 748 CG1 VAL 49 11.057 -30.549 36.460 1.00 52.32 ATOM 749 HG11 VAL 49 10.178 -31.170 36.569 1.00 25.14 ATOM 750 HG12 VAL 49 10.754 -29.530 36.274 1.00 61.44 ATOM 751 HG13 VAL 49 11.631 -30.579 37.377 1.00 5.32 ATOM 752 CG2 VAL 49 12.614 -32.346 35.673 1.00 42.11 ATOM 753 HG21 VAL 49 11.903 -33.153 35.690 1.00 22.24 ATOM 754 HG22 VAL 49 13.070 -32.251 36.650 1.00 44.52 ATOM 755 HG23 VAL 49 13.383 -32.561 34.949 1.00 41.14 ATOM 756 C VAL 49 10.407 -29.918 33.661 1.00 33.12 ATOM 757 O VAL 49 9.315 -29.584 34.122 1.00 22.03 ATOM 758 N VAL 50 11.097 -29.160 32.815 1.00 74.34 ATOM 759 HN VAL 50 11.978 -29.458 32.494 1.00 36.71 ATOM 760 CA VAL 50 10.599 -27.865 32.368 1.00 13.43 ATOM 761 HA VAL 50 10.136 -27.366 33.211 1.00 10.43 ATOM 762 CB VAL 50 11.742 -26.971 31.853 1.00 64.14 ATOM 763 HB VAL 50 12.179 -27.437 30.979 1.00 54.23 ATOM 764 CG1 VAL 50 11.211 -25.605 31.446 1.00 22.00 ATOM 765 HG11 VAL 50 10.739 -25.127 32.293 1.00 21.04 ATOM 766 HG12 VAL 50 10.498 -25.704 30.641 1.00 51.15 ATOM 767 HG13 VAL 50 12.034 -24.999 31.107 1.00 13.51 ATOM 768 CG2 VAL 50 12.830 -26.837 32.907 1.00 2.05 ATOM 769 HG21 VAL 50 12.419 -26.387 33.800 1.00 42.00 ATOM 770 HG22 VAL 50 13.627 -26.215 32.528 1.00 20.40 ATOM 771 HG23 VAL 50 13.231 -27.810 33.148 1.00 54.35 ATOM 772 C VAL 50 9.558 -28.026 31.266 1.00 11.20 ATOM 773 O VAL 50 8.605 -27.250 31.178 1.00 3.21 ATOM 774 N LEU 51 9.745 -29.038 30.427 1.00 63.23 ATOM 775 HN LEU 51 10.540 -29.608 30.523 1.00 36.71 ATOM 776 CA LEU 51 8.822 -29.303 29.329 1.00 52.22 ATOM 777 HA LEU 51 8.807 -28.431 28.693 1.00 33.43 ATOM 778 CB LEU 51 9.288 -30.519 28.526 1.00 10.40 ATOM 779 HB1 LEU 51 8.427 -31.016 28.116 1.00 36.71 ATOM 780 HB2 LEU 51 9.771 -31.206 29.201 1.00 24.41 ATOM 781 CG LEU 51 10.250 -30.233 27.373 1.00 44.43 ATOM 782 HG LEU 51 11.089 -29.669 27.749 1.00 54.11 ATOM 783 CD1 LEU 51 10.782 -31.531 26.786 1.00 33.34 ATOM 784 HD11 LEU 51 11.478 -31.310 25.988 1.00 44.51 ATOM 785 HD12 LEU 51 9.963 -32.118 26.394 1.00 15.41 ATOM 786 HD13 LEU 51 11.291 -32.095 27.556 1.00 71.55 ATOM 787 CD2 LEU 51 9.564 -29.402 26.299 1.00 53.15 ATOM 788 HD21 LEU 51 10.159 -29.408 25.400 1.00 3.21 ATOM 789 HD22 LEU 51 9.459 -28.385 26.644 1.00 52.12 ATOM 790 HD23 LEU 51 8.592 -29.807 26.085 1.00 44.21 ATOM 791 C LEU 51 7.408 -29.536 29.851 1.00 54.42 ATOM 792 O LEU 51 6.470 -28.837 29.465 1.00 51.44 ATOM 793 N CYS 52 7.262 -30.520 30.731 1.00 2.41 ATOM 794 HN CYS 52 8.053 -31.048 30.998 1.00 36.71 ATOM 795 CA CYS 52 5.962 -30.844 31.308 1.00 41.33 ATOM 796 HA CYS 52 5.330 -31.220 30.514 1.00 11.12 ATOM 797 CB CYS 52 6.114 -31.913 32.391 1.00 54.04 ATOM 798 HB1 CYS 52 5.267 -31.876 33.066 1.00 36.71 ATOM 799 HB2 CYS 52 7.018 -31.725 32.951 1.00 62.13 ATOM 800 SG CYS 52 6.211 -33.602 31.752 1.00 54.22 ATOM 801 HG CYS 52 7.074 -33.610 30.747 1.00 74.10 ATOM 802 C CYS 52 5.302 -29.600 31.893 1.00 13.31 ATOM 803 O CYS 52 4.112 -29.361 31.686 1.00 51.31 ATOM 804 N ARG 53 6.081 -28.812 32.626 1.00 2.33 ATOM 805 HN ARG 53 7.025 -29.061 32.770 1.00 36.71 ATOM 806 CA ARG 53 5.571 -27.594 33.244 1.00 2.25 ATOM 807 HA ARG 53 4.844 -27.880 33.993 1.00 55.22 ATOM 808 CB ARG 53 6.710 -26.820 33.911 1.00 13.35 ATOM 809 HB1 ARG 53 6.419 -25.783 34.035 1.00 36.71 ATOM 810 HB2 ARG 53 7.578 -26.861 33.274 1.00 30.21 ATOM 811 CG ARG 53 7.090 -27.356 35.282 1.00 64.55 ATOM 812 HG1 ARG 53 7.225 -28.428 35.221 1.00 36.71 ATOM 813 HG2 ARG 53 6.297 -27.131 35.978 1.00 32.51 ATOM 814 CD ARG 53 8.380 -26.729 35.787 1.00 21.00 ATOM 815 HD1 ARG 53 8.191 -25.679 35.960 1.00 36.71 ATOM 816 HD2 ARG 53 9.148 -26.840 35.036 1.00 23.42 ATOM 817 NE ARG 53 8.842 -27.350 37.026 1.00 52.52 ATOM 818 HE ARG 53 8.477 -28.235 37.263 1.00 33.33 ATOM 819 CZ ARG 53 9.728 -26.790 37.842 1.00 30.11 ATOM 820 NH1 ARG 53 10.245 -25.604 37.552 1.00 31.13 ATOM 821 HH11 ARG 53 9.990 -25.109 36.725 1.00 51.13 ATOM 822 HH12 ARG 53 10.910 -25.190 38.177 1.00 21.53 ATOM 823 NH2 ARG 53 10.098 -27.417 38.951 1.00 24.13 ATOM 824 HH21 ARG 53 9.711 -28.313 39.176 1.00 33.32 ATOM 825 HH22 ARG 53 10.766 -26.997 39.568 1.00 43.52 ATOM 826 C ARG 53 4.877 -26.710 32.212 1.00 0.14 ATOM 827 O ARG 53 3.791 -26.184 32.460 1.00 50.14 ATOM 828 N LEU 54 5.511 -26.550 31.056 1.00 72.41 ATOM 829 HN LEU 54 6.385 -26.988 30.917 1.00 36.71 ATOM 830 CA LEU 54 4.955 -25.730 29.986 1.00 52.44 ATOM 831 HA LEU 54 4.822 -24.729 30.353 1.00 60.44 ATOM 832 CB LEU 54 5.913 -25.693 28.794 1.00 61.31 ATOM 833 HB1 LEU 54 6.288 -26.689 28.632 1.00 36.71 ATOM 834 HB2 LEU 54 6.748 -25.058 29.059 1.00 72.31 ATOM 835 CG LEU 54 5.325 -25.190 27.475 1.00 3.11 ATOM 836 HG LEU 54 4.504 -25.823 27.183 1.00 33.42 ATOM 837 CD1 LEU 54 4.795 -23.773 27.633 1.00 22.22 ATOM 838 HD11 LEU 54 5.516 -23.188 28.171 1.00 70.13 ATOM 839 HD12 LEU 54 3.871 -23.799 28.191 1.00 3.44 ATOM 840 HD13 LEU 54 4.614 -23.329 26.663 1.00 53.33 ATOM 841 CD2 LEU 54 6.368 -25.251 26.369 1.00 42.34 ATOM 842 HD21 LEU 54 6.604 -26.283 26.156 1.00 15.12 ATOM 843 HD22 LEU 54 7.263 -24.737 26.683 1.00 14.45 ATOM 844 HD23 LEU 54 5.988 -24.783 25.485 1.00 21.34 ATOM 845 C LEU 54 3.595 -26.260 29.543 1.00 12.02 ATOM 846 O LEU 54 2.614 -25.516 29.488 1.00 24.32 ATOM 847 N LEU 55 3.542 -27.550 29.231 1.00 71.02 ATOM 848 HN LEU 55 4.363 -28.095 29.293 1.00 36.71 ATOM 849 CA LEU 55 2.301 -28.182 28.795 1.00 1.53 ATOM 850 HA LEU 55 2.004 -27.721 27.865 1.00 4.34 ATOM 851 CB LEU 55 2.521 -29.678 28.565 1.00 52.44 ATOM 852 HB1 LEU 55 2.911 -30.100 29.482 1.00 36.71 ATOM 853 HB2 LEU 55 3.274 -29.788 27.796 1.00 1.11 ATOM 854 CG LEU 55 1.287 -30.482 28.153 1.00 41.44 ATOM 855 HG LEU 55 0.532 -30.402 28.922 1.00 40.23 ATOM 856 CD1 LEU 55 0.701 -29.935 26.860 1.00 15.55 ATOM 857 HD11 LEU 55 -0.249 -29.490 27.076 1.00 32.13 ATOM 858 HD12 LEU 55 0.559 -30.722 26.131 1.00 12.25 ATOM 859 HD13 LEU 55 1.345 -29.181 26.441 1.00 41.43 ATOM 860 CD2 LEU 55 1.637 -31.955 28.000 1.00 51.30 ATOM 861 HD21 LEU 55 2.522 -32.191 28.570 1.00 70.33 ATOM 862 HD22 LEU 55 1.818 -32.204 26.966 1.00 21.31 ATOM 863 HD23 LEU 55 0.818 -32.545 28.374 1.00 34.31 ATOM 864 C LEU 55 1.193 -27.971 29.823 1.00 63.15 ATOM 865 O LEU 55 0.011 -27.971 29.482 1.00 12.23 ATOM 866 N GLU 56 1.586 -27.791 31.080 1.00 54.51 ATOM 867 HN GLU 56 2.538 -27.850 31.310 1.00 36.71 ATOM 868 CA GLU 56 0.625 -27.578 32.156 1.00 51.50 ATOM 869 HA GLU 56 -0.214 -28.249 32.002 1.00 74.31 ATOM 870 CB GLU 56 1.269 -27.876 33.511 1.00 22.23 ATOM 871 HB1 GLU 56 0.896 -27.172 34.248 1.00 36.71 ATOM 872 HB2 GLU 56 2.338 -27.759 33.438 1.00 63.32 ATOM 873 CG GLU 56 0.993 -29.281 34.020 1.00 21.11 ATOM 874 HG1 GLU 56 1.722 -29.943 33.591 1.00 36.71 ATOM 875 HG2 GLU 56 0.001 -29.591 33.719 1.00 53.53 ATOM 876 CD GLU 56 1.083 -29.383 35.530 1.00 11.33 ATOM 877 OE1 GLU 56 0.322 -28.670 36.218 1.00 22.25 ATOM 878 OE2 GLU 56 1.913 -30.174 36.024 1.00 2.10 ATOM 879 C GLU 56 0.095 -26.147 32.137 1.00 51.33 ATOM 880 O GLU 56 -1.045 -25.891 32.524 1.00 13.42 ATOM 881 N ARG 57 0.931 -25.218 31.684 1.00 71.34 ATOM 882 HN ARG 57 1.840 -25.470 31.416 1.00 36.71 ATOM 883 CA ARG 57 0.548 -23.813 31.615 1.00 21.23 ATOM 884 HA ARG 57 0.196 -23.513 32.590 1.00 3.12 ATOM 885 CB ARG 57 1.750 -22.954 31.217 1.00 14.03 ATOM 886 HB1 ARG 57 1.405 -21.980 30.897 1.00 36.71 ATOM 887 HB2 ARG 57 2.256 -23.421 30.391 1.00 61.02 ATOM 888 CG ARG 57 2.758 -22.761 32.338 1.00 43.02 ATOM 889 HG1 ARG 57 3.624 -22.284 31.920 1.00 36.71 ATOM 890 HG2 ARG 57 3.031 -23.720 32.752 1.00 23.25 ATOM 891 CD ARG 57 2.202 -21.875 33.441 1.00 3.33 ATOM 892 HD1 ARG 57 2.933 -21.837 34.237 1.00 36.71 ATOM 893 HD2 ARG 57 1.287 -22.300 33.822 1.00 11.04 ATOM 894 NE ARG 57 1.942 -20.516 32.973 1.00 34.12 ATOM 895 HE ARG 57 2.016 -20.333 32.009 1.00 32.30 ATOM 896 CZ ARG 57 1.617 -19.511 33.779 1.00 44.24 ATOM 897 NH1 ARG 57 1.515 -19.710 35.085 1.00 31.54 ATOM 898 HH11 ARG 57 1.676 -20.608 35.490 1.00 14.40 ATOM 899 HH12 ARG 57 1.271 -18.945 35.685 1.00 72.52 ATOM 900 NH2 ARG 57 1.395 -18.303 33.277 1.00 4.53 ATOM 901 HH21 ARG 57 1.472 -18.146 32.290 1.00 71.13 ATOM 902 HH22 ARG 57 1.149 -17.543 33.882 1.00 3.20 ATOM 903 C ARG 57 -0.590 -23.608 30.620 1.00 40.51 ATOM 904 O ARG 57 -1.621 -23.021 30.952 1.00 72.31 ATOM 905 N LEU 58 -0.396 -24.093 29.399 1.00 44.23 ATOM 906 HN LEU 58 0.431 -24.596 29.210 1.00 36.71 ATOM 907 CA LEU 58 -1.405 -23.962 28.354 1.00 73.21 ATOM 908 HA LEU 58 -1.853 -22.978 28.428 1.00 33.44 ATOM 909 CB LEU 58 -0.760 -24.099 26.974 1.00 70.13 ATOM 910 HB1 LEU 58 -1.458 -23.726 26.237 1.00 36.71 ATOM 911 HB2 LEU 58 -0.599 -25.156 26.782 1.00 54.33 ATOM 912 CG LEU 58 0.576 -23.380 26.783 1.00 31.11 ATOM 913 HG LEU 58 1.258 -23.660 27.568 1.00 70.00 ATOM 914 CD1 LEU 58 1.216 -23.784 25.464 1.00 23.43 ATOM 915 HD11 LEU 58 2.281 -23.890 25.610 1.00 21.33 ATOM 916 HD12 LEU 58 1.042 -23.025 24.716 1.00 74.33 ATOM 917 HD13 LEU 58 0.813 -24.726 25.117 1.00 65.21 ATOM 918 CD2 LEU 58 0.383 -21.872 26.844 1.00 3.24 ATOM 919 HD21 LEU 58 1.339 -21.379 26.731 1.00 74.32 ATOM 920 HD22 LEU 58 -0.046 -21.600 27.799 1.00 54.42 ATOM 921 HD23 LEU 58 -0.280 -21.556 26.050 1.00 1.25 ATOM 922 C LEU 58 -2.501 -25.010 28.522 1.00 52.24 ATOM 923 O LEU 58 -3.682 -24.728 28.314 1.00 50.54 ATOM 924 N LEU 59 -2.103 -26.219 28.901 1.00 72.11 ATOM 925 HN LEU 59 -1.147 -26.405 29.037 1.00 36.71 ATOM 926 CA LEU 59 -3.052 -27.310 29.099 1.00 2.54 ATOM 927 HA LEU 59 -4.056 -26.943 28.975 1.00 35.33 ATOM 928 CB LEU 59 -2.810 -28.415 28.070 1.00 34.45 ATOM 929 HB1 LEU 59 -3.369 -29.286 28.377 1.00 36.71 ATOM 930 HB2 LEU 59 -1.768 -28.661 28.084 1.00 32.13 ATOM 931 CG LEU 59 -3.214 -28.093 26.631 1.00 1.23 ATOM 932 HG LEU 59 -2.624 -27.260 26.277 1.00 72.33 ATOM 933 CD1 LEU 59 -2.941 -29.281 25.722 1.00 54.35 ATOM 934 HD11 LEU 59 -3.504 -30.139 26.063 1.00 22.14 ATOM 935 HD12 LEU 59 -1.889 -29.515 25.735 1.00 65.43 ATOM 936 HD13 LEU 59 -3.236 -29.039 24.710 1.00 51.21 ATOM 937 CD2 LEU 59 -4.681 -27.694 26.565 1.00 2.44 ATOM 938 HD21 LEU 59 -5.292 -28.455 27.032 1.00 23.33 ATOM 939 HD22 LEU 59 -4.982 -27.581 25.531 1.00 53.31 ATOM 940 HD23 LEU 59 -4.826 -26.754 27.073 1.00 32.25 ATOM 941 C LEU 59 -2.940 -27.879 30.510 1.00 2.42 ATOM 942 O LEU 59 -2.419 -28.973 30.725 1.00 74.51 ATOM 943 N PRO 60 -3.441 -27.120 31.496 1.00 14.10 ATOM 944 CA PRO 60 -3.412 -27.530 32.903 1.00 11.42 ATOM 945 HA PRO 60 -2.410 -27.786 33.219 1.00 42.24 ATOM 946 CB PRO 60 -3.874 -26.274 33.648 1.00 62.52 ATOM 947 HB1 PRO 60 -3.014 -25.699 33.952 1.00 36.71 ATOM 948 HB2 PRO 60 -4.456 -26.538 34.524 1.00 52.33 ATOM 949 CG PRO 60 -4.694 -25.525 32.655 1.00 32.42 ATOM 950 HG1 PRO 60 -4.658 -24.468 32.871 1.00 36.71 ATOM 951 HG2 PRO 60 -5.714 -25.879 32.679 1.00 24.34 ATOM 952 CD PRO 60 -4.076 -25.804 31.313 1.00 53.11 ATOM 953 HD1 PRO 60 -3.342 -25.050 31.081 1.00 36.71 ATOM 954 HD2 PRO 60 -4.842 -25.837 30.555 1.00 22.23 ATOM 955 C PRO 60 -4.354 -28.695 33.188 1.00 51.54 ATOM 956 O PRO 60 -5.574 -28.546 33.133 1.00 72.52 ATOM 957 N GLY 61 -3.779 -29.854 33.492 1.00 31.12 ATOM 958 HN GLY 61 -2.797 -29.923 33.528 1.00 36.71 ATOM 959 CA GLY 61 -4.583 -31.027 33.781 1.00 61.40 ATOM 960 HA1 GLY 61 -5.629 -30.836 33.574 1.00 36.71 ATOM 961 HA2 GLY 61 -4.480 -31.262 34.829 1.00 2.22 ATOM 962 C GLY 61 -4.153 -32.237 32.976 1.00 61.45 ATOM 963 O GLY 61 -4.466 -33.374 33.332 1.00 53.13 ATOM 964 N THR 62 -3.434 -31.995 31.884 1.00 4.21 ATOM 965 HN THR 62 -3.215 -31.069 31.635 1.00 36.71 ATOM 966 CA THR 62 -2.962 -33.073 31.024 1.00 14.10 ATOM 967 HA THR 62 -3.806 -33.720 30.807 1.00 2.03 ATOM 968 CB THR 62 -2.407 -32.529 29.694 1.00 11.23 ATOM 969 HB THR 62 -1.384 -32.202 29.837 1.00 44.22 ATOM 970 OG1 THR 62 -3.183 -31.405 29.263 1.00 63.24 ATOM 971 HG1 THR 62 -4.109 -31.652 29.134 1.00 10.03 ATOM 972 CG2 THR 62 -2.424 -33.606 28.620 1.00 44.31 ATOM 973 HG21 THR 62 -2.093 -33.181 27.686 1.00 72.01 ATOM 974 HG22 THR 62 -3.428 -33.989 28.503 1.00 63.12 ATOM 975 HG23 THR 62 -1.762 -34.410 28.904 1.00 54.35 ATOM 976 C THR 62 -1.880 -33.895 31.715 1.00 14.32 ATOM 977 O THR 62 -1.839 -35.118 31.584 1.00 24.30 ATOM 978 N ILE 63 -1.008 -33.215 32.451 1.00 24.13 ATOM 979 HN ILE 63 -1.090 -32.236 32.527 1.00 36.71 ATOM 980 CA ILE 63 0.074 -33.884 33.165 1.00 55.34 ATOM 981 HA ILE 63 0.444 -34.692 32.538 1.00 14.22 ATOM 982 CB ILE 63 1.245 -32.923 33.441 1.00 53.42 ATOM 983 HB ILE 63 0.919 -32.174 34.151 1.00 30.25 ATOM 984 CG1 ILE 63 1.673 -32.222 32.150 1.00 42.21 ATOM 985 HG11 ILE 63 2.478 -31.536 32.372 1.00 36.71 ATOM 986 HG12 ILE 63 0.845 -31.664 31.741 1.00 21.31 ATOM 987 CG2 ILE 63 2.415 -33.676 34.054 1.00 22.43 ATOM 988 HG21 ILE 63 2.171 -33.952 35.069 1.00 63.10 ATOM 989 HG22 ILE 63 3.294 -33.044 34.066 1.00 62.01 ATOM 990 HG23 ILE 63 2.627 -34.570 33.486 1.00 45.13 ATOM 991 CD1 ILE 63 2.169 -33.172 31.082 1.00 13.03 ATOM 992 HD11 ILE 63 1.382 -33.336 30.364 1.00 44.30 ATOM 993 HD12 ILE 63 2.467 -34.121 31.497 1.00 33.24 ATOM 994 HD13 ILE 63 3.014 -32.728 30.581 1.00 21.44 ATOM 995 C ILE 63 -0.416 -34.463 34.487 1.00 34.52 ATOM 996 O ILE 63 -0.642 -33.732 35.450 1.00 15.14 ATOM 997 N GLU 64 -0.576 -35.783 34.526 1.00 54.42 ATOM 998 HN GLU 64 -0.364 -36.322 33.726 1.00 36.71 ATOM 999 CA GLU 64 -1.039 -36.460 35.731 1.00 25.44 ATOM 1000 HA GLU 64 -1.733 -35.809 36.251 1.00 53.10 ATOM 1001 CB GLU 64 -1.770 -37.754 35.367 1.00 23.33 ATOM 1002 HB1 GLU 64 -1.147 -38.328 34.696 1.00 36.71 ATOM 1003 HB2 GLU 64 -2.688 -37.494 34.857 1.00 74.45 ATOM 1004 CG GLU 64 -2.105 -38.622 36.568 1.00 31.44 ATOM 1005 HG1 GLU 64 -2.486 -37.996 37.365 1.00 36.71 ATOM 1006 HG2 GLU 64 -1.206 -39.119 36.901 1.00 20.34 ATOM 1007 CD GLU 64 -3.142 -39.682 36.251 1.00 70.33 ATOM 1008 OE1 GLU 64 -2.989 -40.373 35.222 1.00 55.34 ATOM 1009 OE2 GLU 64 -4.106 -39.821 37.032 1.00 33.13 ATOM 1010 C GLU 64 0.129 -36.768 36.664 1.00 23.31 ATOM 1011 O GLU 64 -0.004 -36.705 37.886 1.00 23.24 ATOM 1012 N LYS 65 1.274 -37.103 36.078 1.00 2.44 ATOM 1013 HN LYS 65 1.321 -37.174 35.096 1.00 36.71 ATOM 1014 CA LYS 65 2.467 -37.420 36.854 1.00 20.24 ATOM 1015 HA LYS 65 2.416 -36.891 37.800 1.00 30.42 ATOM 1016 CB LYS 65 2.531 -38.923 37.139 1.00 55.43 ATOM 1017 HB1 LYS 65 2.368 -39.452 36.214 1.00 36.71 ATOM 1018 HB2 LYS 65 1.734 -39.173 37.827 1.00 41.25 ATOM 1019 CG LYS 65 3.843 -39.369 37.758 1.00 24.50 ATOM 1020 HG1 LYS 65 3.636 -40.159 38.468 1.00 36.71 ATOM 1021 HG2 LYS 65 4.303 -38.541 38.284 1.00 1.12 ATOM 1022 CD LYS 65 4.812 -39.879 36.704 1.00 4.51 ATOM 1023 HD1 LYS 65 5.810 -39.689 37.044 1.00 36.71 ATOM 1024 HD2 LYS 65 4.655 -39.370 35.765 1.00 3.53 ATOM 1025 CE LYS 65 4.647 -41.372 36.470 1.00 74.25 ATOM 1026 HE1 LYS 65 4.587 -41.888 37.419 1.00 36.71 ATOM 1027 HE2 LYS 65 5.502 -41.722 35.927 1.00 32.42 ATOM 1028 NZ LYS 65 3.430 -41.676 35.667 1.00 53.23 ATOM 1029 HZ1 LYS 65 3.464 -42.662 35.337 1.00 13.32 ATOM 1030 HZ2 LYS 65 3.366 -41.050 34.836 1.00 32.55 ATOM 1031 HZ3 LYS 65 2.578 -41.553 36.249 1.00 63.53 ATOM 1032 C LYS 65 3.728 -36.977 36.119 1.00 22.45 ATOM 1033 O LYS 65 3.844 -37.148 34.906 1.00 55.33 ATOM 1034 N VAL 66 4.673 -36.410 36.863 1.00 55.40 ATOM 1035 HN VAL 66 4.524 -36.287 37.830 1.00 36.71 ATOM 1036 CA VAL 66 5.927 -35.945 36.282 1.00 15.12 ATOM 1037 HA VAL 66 6.074 -36.441 35.327 1.00 12.52 ATOM 1038 CB VAL 66 5.905 -34.423 36.044 1.00 21.33 ATOM 1039 HB VAL 66 4.942 -34.154 35.632 1.00 62.13 ATOM 1040 CG1 VAL 66 6.086 -33.675 37.356 1.00 3.01 ATOM 1041 HG11 VAL 66 7.135 -33.565 37.580 1.00 43.52 ATOM 1042 HG12 VAL 66 5.597 -34.204 38.165 1.00 62.21 ATOM 1043 HG13 VAL 66 5.643 -32.694 37.263 1.00 12.34 ATOM 1044 CG2 VAL 66 6.978 -34.026 35.042 1.00 60.13 ATOM 1045 HG21 VAL 66 7.007 -34.736 34.230 1.00 1.41 ATOM 1046 HG22 VAL 66 7.946 -33.996 35.523 1.00 73.32 ATOM 1047 HG23 VAL 66 6.751 -33.052 34.659 1.00 42.43 ATOM 1048 C VAL 66 7.109 -36.291 37.179 1.00 24.44 ATOM 1049 O VAL 66 6.941 -36.569 38.367 1.00 12.31 ATOM 1050 N TYR 67 8.306 -36.273 36.604 1.00 64.11 ATOM 1051 HN TYR 67 8.387 -36.089 35.643 1.00 36.71 ATOM 1052 CA TYR 67 9.519 -36.587 37.351 1.00 75.30 ATOM 1053 HA TYR 67 9.256 -36.960 38.325 1.00 23.25 ATOM 1054 CB TYR 67 10.317 -37.676 36.633 1.00 64.30 ATOM 1055 HB1 TYR 67 11.243 -37.848 37.168 1.00 36.71 ATOM 1056 HB2 TYR 67 10.549 -37.344 35.634 1.00 13.32 ATOM 1057 CG TYR 67 9.593 -39.001 36.546 1.00 42.30 ATOM 1058 CD1 TYR 67 9.669 -39.782 35.400 1.00 75.41 ATOM 1059 HD1 TYR 67 10.251 -39.433 34.571 1.00 20.01 ATOM 1060 CD2 TYR 67 8.834 -39.471 37.611 1.00 42.23 ATOM 1061 HD2 TYR 67 8.761 -38.892 38.517 1.00 51.31 ATOM 1062 CE1 TYR 67 9.008 -40.993 35.316 1.00 52.41 ATOM 1063 HE1 TYR 67 9.079 -41.592 34.427 1.00 1.40 ATOM 1064 CE2 TYR 67 8.171 -40.681 37.536 1.00 3.42 ATOM 1065 HE2 TYR 67 7.586 -41.029 38.374 1.00 31.42 ATOM 1066 CZ TYR 67 8.261 -41.437 36.387 1.00 73.54 ATOM 1067 OH TYR 67 7.602 -42.643 36.307 1.00 22.24 ATOM 1068 HH TYR 67 7.273 -42.799 35.413 1.00 64.24 ATOM 1069 C TYR 67 10.383 -35.344 37.534 1.00 2.23 ATOM 1070 O TYR 67 11.348 -35.114 36.805 1.00 62.00 ATOM 1071 N PRO 68 10.030 -34.521 38.533 1.00 23.12 ATOM 1072 CA PRO 68 10.761 -33.287 38.838 1.00 33.30 ATOM 1073 HA PRO 68 10.859 -32.668 37.971 1.00 42.53 ATOM 1074 CB PRO 68 9.871 -32.595 39.874 1.00 63.22 ATOM 1075 HB1 PRO 68 9.208 -31.907 39.371 1.00 36.71 ATOM 1076 HB2 PRO 68 10.469 -32.053 40.597 1.00 30.32 ATOM 1077 CG PRO 68 9.106 -33.701 40.515 1.00 11.21 ATOM 1078 HG1 PRO 68 8.157 -33.331 40.875 1.00 36.71 ATOM 1079 HG2 PRO 68 9.679 -34.120 41.329 1.00 13.50 ATOM 1080 CD PRO 68 8.891 -34.732 39.442 1.00 23.43 ATOM 1081 HD1 PRO 68 7.969 -34.550 38.960 1.00 36.71 ATOM 1082 HD2 PRO 68 8.908 -35.719 39.876 1.00 20.24 ATOM 1083 C PRO 68 12.143 -33.561 39.421 1.00 41.14 ATOM 1084 O PRO 68 13.021 -32.700 39.388 1.00 44.24 ATOM 1085 N GLU 69 12.328 -34.765 39.953 1.00 3.20 ATOM 1086 HN GLU 69 11.588 -35.410 39.993 1.00 36.71 ATOM 1087 CA GLU 69 13.605 -35.150 40.543 1.00 32.32 ATOM 1088 HA GLU 69 14.372 -34.453 40.231 1.00 1.02 ATOM 1089 CB GLU 69 13.522 -35.098 42.070 1.00 24.32 ATOM 1090 HB1 GLU 69 14.515 -35.250 42.474 1.00 36.71 ATOM 1091 HB2 GLU 69 12.874 -35.893 42.419 1.00 32.55 ATOM 1092 CG GLU 69 12.979 -33.784 42.606 1.00 32.50 ATOM 1093 HG1 GLU 69 11.931 -33.714 42.354 1.00 36.71 ATOM 1094 HG2 GLU 69 13.515 -32.966 42.143 1.00 71.14 ATOM 1095 CD GLU 69 13.124 -33.663 44.111 1.00 61.35 ATOM 1096 OE1 GLU 69 13.657 -32.633 44.573 1.00 23.14 ATOM 1097 OE2 GLU 69 12.705 -34.598 44.825 1.00 42.12 ATOM 1098 C GLU 69 14.012 -36.550 40.092 1.00 21.02 ATOM 1099 O GLU 69 13.970 -37.513 40.858 1.00 24.11 ATOM 1100 N PRO 70 14.415 -36.667 38.818 1.00 2.12 ATOM 1101 CA PRO 70 14.838 -37.944 38.236 1.00 51.14 ATOM 1102 HA PRO 70 14.082 -38.706 38.372 1.00 53.11 ATOM 1103 CB PRO 70 14.978 -37.625 36.745 1.00 14.21 ATOM 1104 HB1 PRO 70 14.056 -37.869 36.239 1.00 36.71 ATOM 1105 HB2 PRO 70 15.782 -38.196 36.317 1.00 1.03 ATOM 1106 CG PRO 70 15.245 -36.160 36.695 1.00 65.23 ATOM 1107 HG1 PRO 70 14.886 -35.753 35.761 1.00 36.71 ATOM 1108 HG2 PRO 70 16.304 -35.976 36.804 1.00 25.42 ATOM 1109 CD PRO 70 14.490 -35.561 37.849 1.00 60.14 ATOM 1110 HD1 PRO 70 13.512 -35.250 37.540 1.00 36.71 ATOM 1111 HD2 PRO 70 15.041 -34.726 38.252 1.00 35.15 ATOM 1112 C PRO 70 16.168 -38.428 38.804 1.00 75.44 ATOM 1113 O PRO 70 17.070 -37.632 39.062 1.00 11.21 ATOM 1114 N ARG 71 16.282 -39.739 38.995 1.00 53.50 ATOM 1115 HN ARG 71 15.517 -40.326 38.800 1.00 36.71 ATOM 1116 CA ARG 71 17.501 -40.329 39.533 1.00 5.41 ATOM 1117 HA ARG 71 18.211 -39.542 39.763 1.00 31.14 ATOM 1118 CB ARG 71 17.195 -41.108 40.813 1.00 34.11 ATOM 1119 HB1 ARG 71 17.901 -41.925 40.916 1.00 36.71 ATOM 1120 HB2 ARG 71 16.199 -41.527 40.749 1.00 5.23 ATOM 1121 CG ARG 71 17.290 -40.268 42.076 1.00 44.41 ATOM 1122 HG1 ARG 71 18.223 -39.721 42.073 1.00 36.71 ATOM 1123 HG2 ARG 71 17.262 -40.925 42.933 1.00 24.52 ATOM 1124 CD ARG 71 16.137 -39.282 42.178 1.00 51.11 ATOM 1125 HD1 ARG 71 15.198 -39.794 42.015 1.00 36.71 ATOM 1126 HD2 ARG 71 16.268 -38.536 41.416 1.00 3.05 ATOM 1127 NE ARG 71 16.111 -38.601 43.470 1.00 64.04 ATOM 1128 HE ARG 71 16.487 -37.694 43.509 1.00 52.14 ATOM 1129 CZ ARG 71 15.611 -39.141 44.575 1.00 13.02 ATOM 1130 NH1 ARG 71 15.097 -40.363 44.546 1.00 21.03 ATOM 1131 HH11 ARG 71 15.075 -40.903 43.709 1.00 60.04 ATOM 1132 HH12 ARG 71 14.719 -40.759 45.386 1.00 12.25 ATOM 1133 NH2 ARG 71 15.624 -38.458 45.713 1.00 74.40 ATOM 1134 HH21 ARG 71 16.011 -37.534 45.741 1.00 61.03 ATOM 1135 HH22 ARG 71 15.247 -38.863 46.549 1.00 25.53 ATOM 1136 C ARG 71 18.158 -41.250 38.509 1.00 54.22 ATOM 1137 O ARG 71 19.363 -41.494 38.561 1.00 31.43 ATOM 1138 N SER 72 17.356 -41.758 37.578 1.00 11.13 ATOM 1139 HN SER 72 16.400 -41.553 37.574 1.00 36.71 ATOM 1140 CA SER 72 17.858 -42.656 36.544 1.00 15.44 ATOM 1141 HA SER 72 18.920 -42.814 36.686 1.00 40.12 ATOM 1142 CB SER 72 17.155 -44.012 36.632 1.00 1.21 ATOM 1143 HB1 SER 72 17.693 -44.736 36.039 1.00 36.71 ATOM 1144 HB2 SER 72 16.141 -43.926 36.262 1.00 51.31 ATOM 1145 OG SER 72 17.101 -44.473 37.971 1.00 3.41 ATOM 1146 HG SER 72 17.945 -44.863 38.213 1.00 70.33 ATOM 1147 C SER 72 17.655 -42.054 35.157 1.00 15.32 ATOM 1148 O SER 72 17.190 -40.922 35.022 1.00 22.34 ATOM 1149 N GLU 73 18.006 -42.820 34.129 1.00 4.13 ATOM 1150 HN GLU 73 18.383 -43.716 34.292 1.00 36.71 ATOM 1151 CA GLU 73 17.864 -42.362 32.752 1.00 33.12 ATOM 1152 HA GLU 73 18.126 -41.311 32.709 1.00 12.22 ATOM 1153 CB GLU 73 18.811 -43.136 31.833 1.00 4.13 ATOM 1154 HB1 GLU 73 18.661 -44.194 31.993 1.00 36.71 ATOM 1155 HB2 GLU 73 19.825 -42.883 32.108 1.00 64.31 ATOM 1156 CG GLU 73 18.603 -42.842 30.357 1.00 11.12 ATOM 1157 HG1 GLU 73 18.373 -41.794 30.230 1.00 36.71 ATOM 1158 HG2 GLU 73 17.773 -43.434 30.002 1.00 23.33 ATOM 1159 CD GLU 73 19.823 -43.172 29.519 1.00 55.02 ATOM 1160 OE1 GLU 73 20.952 -42.923 29.990 1.00 71.54 ATOM 1161 OE2 GLU 73 19.647 -43.679 28.391 1.00 33.41 ATOM 1162 C GLU 73 16.425 -42.525 32.271 1.00 71.41 ATOM 1163 O GLU 73 15.889 -41.661 31.577 1.00 23.01 ATOM 1164 N SER 74 15.805 -43.640 32.644 1.00 22.51 ATOM 1165 HN SER 74 16.288 -44.306 33.188 1.00 36.71 ATOM 1166 CA SER 74 14.430 -43.920 32.247 1.00 21.34 ATOM 1167 HA SER 74 14.406 -44.020 31.171 1.00 33.23 ATOM 1168 CB SER 74 13.952 -45.230 32.876 1.00 21.35 ATOM 1169 HB1 SER 74 14.131 -45.201 33.941 1.00 36.71 ATOM 1170 HB2 SER 74 14.497 -46.056 32.442 1.00 4.02 ATOM 1171 OG SER 74 12.567 -45.428 32.652 1.00 60.44 ATOM 1172 HG SER 74 12.429 -45.774 31.766 1.00 64.11 ATOM 1173 C SER 74 13.504 -42.779 32.656 1.00 11.11 ATOM 1174 O SER 74 12.687 -42.314 31.862 1.00 71.41 ATOM 1175 N GLU 75 13.639 -42.333 33.901 1.00 13.41 ATOM 1176 HN GLU 75 14.312 -42.746 34.494 1.00 36.71 ATOM 1177 CA GLU 75 12.813 -41.246 34.416 1.00 24.30 ATOM 1178 HA GLU 75 11.775 -41.480 34.208 1.00 22.22 ATOM 1179 CB GLU 75 13.005 -41.103 35.927 1.00 2.42 ATOM 1180 HB1 GLU 75 12.760 -40.087 36.212 1.00 36.71 ATOM 1181 HB2 GLU 75 14.045 -41.287 36.167 1.00 45.40 ATOM 1182 CG GLU 75 12.156 -42.063 36.743 1.00 54.24 ATOM 1183 HG1 GLU 75 12.778 -42.887 37.060 1.00 36.71 ATOM 1184 HG2 GLU 75 11.343 -42.442 36.137 1.00 32.15 ATOM 1185 CD GLU 75 11.561 -41.412 37.976 1.00 32.03 ATOM 1186 OE1 GLU 75 10.579 -41.960 38.521 1.00 65.22 ATOM 1187 OE2 GLU 75 12.076 -40.355 38.397 1.00 32.32 ATOM 1188 C GLU 75 13.152 -39.930 33.722 1.00 73.01 ATOM 1189 O GLU 75 12.287 -39.072 33.539 1.00 72.51 ATOM 1190 N CYS 76 14.414 -39.778 33.339 1.00 44.32 ATOM 1191 HN CYS 76 15.070 -40.487 33.528 1.00 36.71 ATOM 1192 CA CYS 76 14.868 -38.566 32.666 1.00 4.31 ATOM 1193 HA CYS 76 14.562 -37.714 33.261 1.00 44.44 ATOM 1194 CB CYS 76 16.392 -38.572 32.533 1.00 11.41 ATOM 1195 HB1 CYS 76 16.689 -37.986 31.671 1.00 36.71 ATOM 1196 HB2 CYS 76 16.742 -39.582 32.402 1.00 54.13 ATOM 1197 SG CYS 76 17.260 -37.883 33.962 1.00 63.21 ATOM 1198 HG CYS 76 18.467 -37.506 33.565 1.00 20.51 ATOM 1199 C CYS 76 14.226 -38.435 31.289 1.00 60.21 ATOM 1200 O CYS 76 13.908 -37.332 30.842 1.00 35.25 ATOM 1201 N LEU 77 14.040 -39.567 30.619 1.00 33.23 ATOM 1202 HN LEU 77 14.317 -40.424 31.020 1.00 36.71 ATOM 1203 CA LEU 77 13.437 -39.580 29.291 1.00 35.00 ATOM 1204 HA LEU 77 13.790 -38.714 28.743 1.00 65.12 ATOM 1205 CB LEU 77 13.855 -40.840 28.531 1.00 21.14 ATOM 1206 HB1 LEU 77 13.276 -40.904 27.615 1.00 36.71 ATOM 1207 HB2 LEU 77 13.592 -41.688 29.152 1.00 21.32 ATOM 1208 CG LEU 77 15.338 -40.946 28.172 1.00 13.14 ATOM 1209 HG LEU 77 15.934 -40.632 29.018 1.00 43.11 ATOM 1210 CD1 LEU 77 15.708 -42.386 27.853 1.00 50.13 ATOM 1211 HD11 LEU 77 16.763 -42.447 27.624 1.00 12.40 ATOM 1212 HD12 LEU 77 15.136 -42.731 27.002 1.00 35.41 ATOM 1213 HD13 LEU 77 15.493 -43.013 28.707 1.00 5.12 ATOM 1214 CD2 LEU 77 15.669 -40.035 26.999 1.00 33.12 ATOM 1215 HD21 LEU 77 15.617 -39.009 27.325 1.00 1.31 ATOM 1216 HD22 LEU 77 14.958 -40.194 26.198 1.00 62.15 ATOM 1217 HD23 LEU 77 16.660 -40.249 26.635 1.00 52.31 ATOM 1218 C LEU 77 11.916 -39.510 29.383 1.00 54.41 ATOM 1219 O LEU 77 11.249 -39.046 28.458 1.00 73.52 ATOM 1220 N SER 78 11.374 -39.970 30.506 1.00 72.21 ATOM 1221 HN SER 78 11.952 -40.341 31.210 1.00 36.71 ATOM 1222 CA SER 78 9.931 -39.961 30.718 1.00 2.14 ATOM 1223 HA SER 78 9.472 -40.540 29.927 1.00 50.32 ATOM 1224 CB SER 78 9.589 -40.602 32.065 1.00 75.15 ATOM 1225 HB1 SER 78 9.407 -39.833 32.792 1.00 36.71 ATOM 1226 HB2 SER 78 10.406 -41.226 32.400 1.00 50.14 ATOM 1227 OG SER 78 8.428 -41.409 31.964 1.00 23.52 ATOM 1228 HG SER 78 7.807 -41.181 32.662 1.00 33.34 ATOM 1229 C SER 78 9.383 -38.538 30.666 1.00 44.11 ATOM 1230 O SER 78 8.340 -38.285 30.066 1.00 52.21 ATOM 1231 N ASN 79 10.097 -37.612 31.299 1.00 34.45 ATOM 1232 HN ASN 79 10.919 -37.875 31.778 1.00 36.71 ATOM 1233 CA ASN 79 9.683 -36.214 31.326 1.00 34.23 ATOM 1234 HA ASN 79 8.765 -36.149 31.894 1.00 12.21 ATOM 1235 CB ASN 79 10.759 -35.355 31.992 1.00 43.43 ATOM 1236 HB1 ASN 79 10.579 -34.332 31.746 1.00 36.71 ATOM 1237 HB2 ASN 79 11.725 -35.652 31.626 1.00 11.00 ATOM 1238 CG ASN 79 10.740 -35.472 33.504 1.00 43.05 ATOM 1239 OD1 ASN 79 9.697 -35.729 34.104 1.00 12.22 ATOM 1240 ND2 ASN 79 11.898 -35.284 34.126 1.00 0.40 ATOM 1241 HD21 ASN 79 12.700 -35.081 33.594 1.00 73.21 ATOM 1242 HD22 ASN 79 11.908 -35.358 35.101 1.00 25.33 ATOM 1243 C ASN 79 9.406 -35.702 29.916 1.00 4.41 ATOM 1244 O ASN 79 8.387 -35.056 29.668 1.00 23.30 ATOM 1245 N ILE 80 10.320 -35.994 28.997 1.00 41.32 ATOM 1246 HN ILE 80 11.110 -36.526 29.253 1.00 36.71 ATOM 1247 CA ILE 80 10.174 -35.564 27.612 1.00 70.04 ATOM 1248 HA ILE 80 9.999 -34.493 27.605 1.00 22.44 ATOM 1249 CB ILE 80 11.449 -35.850 26.796 1.00 12.41 ATOM 1250 HB ILE 80 11.618 -36.916 26.809 1.00 33.54 ATOM 1251 CG1 ILE 80 12.651 -35.140 27.423 1.00 70.21 ATOM 1252 HG11 ILE 80 12.623 -35.235 28.499 1.00 36.71 ATOM 1253 HG12 ILE 80 12.628 -34.089 27.169 1.00 62.21 ATOM 1254 CG2 ILE 80 11.263 -35.411 25.351 1.00 35.32 ATOM 1255 HG21 ILE 80 10.545 -36.047 24.859 1.00 51.30 ATOM 1256 HG22 ILE 80 12.201 -35.477 24.828 1.00 75.23 ATOM 1257 HG23 ILE 80 10.914 -34.387 25.321 1.00 72.42 ATOM 1258 CD1 ILE 80 13.983 -35.693 26.968 1.00 25.20 ATOM 1259 HD11 ILE 80 14.055 -35.637 25.893 1.00 11.42 ATOM 1260 HD12 ILE 80 14.070 -36.723 27.280 1.00 62.31 ATOM 1261 HD13 ILE 80 14.780 -35.116 27.410 1.00 54.02 ATOM 1262 C ILE 80 8.991 -36.256 26.943 1.00 12.03 ATOM 1263 O ILE 80 8.164 -35.610 26.298 1.00 24.44 ATOM 1264 N ARG 81 8.915 -37.573 27.103 1.00 21.15 ATOM 1265 HN ARG 81 9.612 -38.038 27.625 1.00 36.71 ATOM 1266 CA ARG 81 7.832 -38.353 26.516 1.00 25.21 ATOM 1267 HA ARG 81 7.906 -38.280 25.445 1.00 2.52 ATOM 1268 CB ARG 81 7.958 -39.824 26.919 1.00 11.43 ATOM 1269 HB1 ARG 81 7.086 -40.359 26.565 1.00 36.71 ATOM 1270 HB2 ARG 81 7.981 -39.879 28.000 1.00 3.23 ATOM 1271 CG ARG 81 9.214 -40.495 26.390 1.00 63.34 ATOM 1272 HG1 ARG 81 9.721 -40.977 27.213 1.00 36.71 ATOM 1273 HG2 ARG 81 9.873 -39.759 25.948 1.00 3.13 ATOM 1274 CD ARG 81 8.884 -41.547 25.341 1.00 3.55 ATOM 1275 HD1 ARG 81 9.804 -42.010 25.013 1.00 36.71 ATOM 1276 HD2 ARG 81 8.416 -41.047 24.504 1.00 41.22 ATOM 1277 NE ARG 81 7.990 -42.577 25.862 1.00 14.33 ATOM 1278 HE ARG 81 7.918 -42.673 26.841 1.00 15.31 ATOM 1279 CZ ARG 81 7.277 -43.390 25.091 1.00 53.54 ATOM 1280 NH1 ARG 81 7.354 -43.293 23.771 1.00 52.35 ATOM 1281 HH11 ARG 81 7.942 -42.621 23.328 1.00 4.34 ATOM 1282 HH12 ARG 81 6.809 -43.910 23.199 1.00 52.24 ATOM 1283 NH2 ARG 81 6.485 -44.302 25.639 1.00 32.02 ATOM 1284 HH21 ARG 81 6.422 -44.381 26.636 1.00 63.20 ATOM 1285 HH22 ARG 81 5.946 -44.916 25.059 1.00 74.03 ATOM 1286 C ARG 81 6.474 -37.810 26.949 1.00 30.03 ATOM 1287 O ARG 81 5.591 -37.588 26.121 1.00 22.52 ATOM 1288 N GLU 82 6.315 -37.599 28.252 1.00 12.32 ATOM 1289 HN GLU 82 7.057 -37.808 28.866 1.00 36.71 ATOM 1290 CA GLU 82 5.063 -37.083 28.794 1.00 4.04 ATOM 1291 HA GLU 82 4.303 -37.837 28.635 1.00 0.44 ATOM 1292 CB GLU 82 5.208 -36.803 30.292 1.00 54.33 ATOM 1293 HB1 GLU 82 4.946 -35.778 30.488 1.00 36.71 ATOM 1294 HB2 GLU 82 6.231 -36.959 30.604 1.00 70.23 ATOM 1295 CG GLU 82 4.309 -37.666 31.162 1.00 43.32 ATOM 1296 HG1 GLU 82 3.284 -37.540 30.841 1.00 36.71 ATOM 1297 HG2 GLU 82 4.405 -37.341 32.187 1.00 10.01 ATOM 1298 CD GLU 82 4.665 -39.138 31.088 1.00 42.21 ATOM 1299 OE1 GLU 82 5.634 -39.548 31.761 1.00 42.31 ATOM 1300 OE2 GLU 82 3.976 -39.880 30.358 1.00 54.44 ATOM 1301 C GLU 82 4.638 -35.811 28.066 1.00 21.04 ATOM 1302 O GLU 82 3.497 -35.690 27.620 1.00 63.04 ATOM 1303 N PHE 83 5.564 -34.865 27.952 1.00 52.54 ATOM 1304 HN PHE 83 6.461 -35.018 28.336 1.00 36.71 ATOM 1305 CA PHE 83 5.286 -33.601 27.280 1.00 54.44 ATOM 1306 HA PHE 83 4.531 -33.078 27.850 1.00 44.44 ATOM 1307 CB PHE 83 6.549 -32.739 27.224 1.00 61.44 ATOM 1308 HB1 PHE 83 7.358 -33.330 26.817 1.00 36.71 ATOM 1309 HB2 PHE 83 6.809 -32.443 28.232 1.00 71.01 ATOM 1310 CG PHE 83 6.394 -31.501 26.389 1.00 53.34 ATOM 1311 CD1 PHE 83 6.777 -31.494 25.057 1.00 22.21 ATOM 1312 HD1 PHE 83 7.192 -32.390 24.615 1.00 21.12 ATOM 1313 CD2 PHE 83 5.864 -30.343 26.935 1.00 52.12 ATOM 1314 HD2 PHE 83 5.551 -30.339 27.966 1.00 43.33 ATOM 1315 CE1 PHE 83 6.636 -30.355 24.287 1.00 70.41 ATOM 1316 HE1 PHE 83 6.939 -30.363 23.250 1.00 21.42 ATOM 1317 CE2 PHE 83 5.720 -29.201 26.169 1.00 32.13 ATOM 1318 HE2 PHE 83 5.305 -28.305 26.607 1.00 54.33 ATOM 1319 CZ PHE 83 6.106 -29.208 24.843 1.00 15.12 ATOM 1320 HZ PHE 83 6.009 -28.324 24.243 1.00 54.25 ATOM 1321 C PHE 83 4.757 -33.840 25.868 1.00 13.24 ATOM 1322 O PHE 83 3.951 -33.062 25.355 1.00 65.04 ATOM 1323 N LEU 84 5.215 -34.920 25.247 1.00 62.43 ATOM 1324 HN LEU 84 5.882 -35.491 25.685 1.00 36.71 ATOM 1325 CA LEU 84 4.790 -35.263 23.894 1.00 34.41 ATOM 1326 HA LEU 84 4.678 -34.348 23.324 1.00 64.02 ATOM 1327 CB LEU 84 5.846 -36.134 23.211 1.00 10.31 ATOM 1328 HB1 LEU 84 5.485 -36.402 22.224 1.00 36.71 ATOM 1329 HB2 LEU 84 5.935 -37.046 23.788 1.00 44.24 ATOM 1330 CG LEU 84 7.238 -35.515 23.072 1.00 35.42 ATOM 1331 HG LEU 84 7.469 -34.942 23.960 1.00 45.41 ATOM 1332 CD1 LEU 84 8.293 -36.602 22.937 1.00 3.45 ATOM 1333 HD11 LEU 84 7.980 -37.332 22.205 1.00 63.10 ATOM 1334 HD12 LEU 84 8.423 -37.086 23.887 1.00 21.53 ATOM 1335 HD13 LEU 84 9.237 -36.170 22.632 1.00 41.51 ATOM 1336 CD2 LEU 84 7.285 -34.572 21.879 1.00 2.22 ATOM 1337 HD21 LEU 84 6.519 -34.815 21.169 1.00 52.22 ATOM 1338 HD22 LEU 84 8.241 -34.643 21.403 1.00 23.12 ATOM 1339 HD23 LEU 84 7.138 -33.559 22.225 1.00 44.52 ATOM 1340 C LEU 84 3.449 -35.991 23.913 1.00 23.42 ATOM 1341 O LEU 84 2.696 -35.951 22.940 1.00 11.03 ATOM 1342 N ARG 85 3.158 -36.655 25.027 1.00 12.44 ATOM 1343 HN ARG 85 3.809 -36.685 25.753 1.00 36.71 ATOM 1344 CA ARG 85 1.908 -37.391 25.174 1.00 51.35 ATOM 1345 HA ARG 85 1.784 -38.018 24.298 1.00 1.45 ATOM 1346 CB ARG 85 1.951 -38.267 26.427 1.00 52.22 ATOM 1347 HB1 ARG 85 1.075 -38.070 27.036 1.00 36.71 ATOM 1348 HB2 ARG 85 2.829 -38.027 27.010 1.00 11.34 ATOM 1349 CG ARG 85 1.988 -39.757 26.128 1.00 44.54 ATOM 1350 HG1 ARG 85 2.968 -40.012 25.752 1.00 36.71 ATOM 1351 HG2 ARG 85 1.244 -39.987 25.379 1.00 51.21 ATOM 1352 CD ARG 85 1.708 -40.582 27.373 1.00 23.24 ATOM 1353 HD1 ARG 85 2.235 -40.149 28.215 1.00 36.71 ATOM 1354 HD2 ARG 85 2.076 -41.586 27.214 1.00 5.52 ATOM 1355 NE ARG 85 0.283 -40.633 27.687 1.00 31.31 ATOM 1356 HE ARG 85 -0.027 -40.111 28.460 1.00 54.14 ATOM 1357 CZ ARG 85 -0.599 -41.340 26.988 1.00 4.32 ATOM 1358 NH1 ARG 85 -0.203 -42.051 25.942 1.00 63.13 ATOM 1359 HH11 ARG 85 0.749 -42.081 25.655 1.00 13.30 ATOM 1360 HH12 ARG 85 -0.879 -42.576 25.421 1.00 73.22 ATOM 1361 NH2 ARG 85 -1.879 -41.336 27.336 1.00 51.10 ATOM 1362 HH21 ARG 85 -2.185 -40.801 28.126 1.00 12.04 ATOM 1363 HH22 ARG 85 -2.546 -41.868 26.810 1.00 4.44 ATOM 1364 C ARG 85 0.720 -36.436 25.248 1.00 41.32 ATOM 1365 O ARG 85 -0.323 -36.677 24.641 1.00 24.34 ATOM 1366 N GLY 86 0.886 -35.350 25.997 1.00 42.42 ATOM 1367 HN GLY 86 1.732 -35.201 26.476 1.00 36.71 ATOM 1368 CA GLY 86 -0.180 -34.375 26.137 1.00 30.23 ATOM 1369 HA1 GLY 86 0.031 -33.747 26.971 1.00 36.71 ATOM 1370 HA2 GLY 86 -1.114 -34.890 26.327 1.00 34.42 ATOM 1371 C GLY 86 -0.345 -33.514 24.901 1.00 75.43 ATOM 1372 O GLY 86 -1.424 -33.470 24.307 1.00 44.11 ATOM 1373 N CYS 87 0.723 -32.828 24.512 1.00 24.14 ATOM 1374 HN CYS 87 1.563 -32.919 25.018 1.00 36.71 ATOM 1375 CA CYS 87 0.691 -31.962 23.339 1.00 2.22 ATOM 1376 HA CYS 87 -0.014 -31.165 23.534 1.00 11.43 ATOM 1377 CB CYS 87 2.077 -31.371 23.078 1.00 64.04 ATOM 1378 HB1 CYS 87 2.217 -31.217 22.015 1.00 36.71 ATOM 1379 HB2 CYS 87 2.834 -32.054 23.429 1.00 52.21 ATOM 1380 SG CYS 87 2.365 -29.778 23.883 1.00 53.22 ATOM 1381 HG CYS 87 1.211 -29.129 23.930 1.00 61.43 ATOM 1382 C CYS 87 0.211 -32.728 22.111 1.00 44.13 ATOM 1383 O CYS 87 -0.455 -32.170 21.240 1.00 72.30 ATOM 1384 N GLY 88 0.557 -34.010 22.047 1.00 70.31 ATOM 1385 HN GLY 88 1.113 -34.414 22.749 1.00 36.71 ATOM 1386 CA GLY 88 0.155 -34.832 20.920 1.00 14.22 ATOM 1387 HA1 GLY 88 0.877 -35.626 20.802 1.00 36.71 ATOM 1388 HA2 GLY 88 0.146 -34.239 20.013 1.00 73.14 ATOM 1389 C GLY 88 -1.214 -35.453 21.115 1.00 13.11 ATOM 1390 O GLY 88 -1.789 -36.010 20.180 1.00 13.35 ATOM 1391 N ALA 89 -1.737 -35.359 22.333 1.00 1.14 ATOM 1392 HN ALA 89 -1.243 -34.918 23.040 1.00 36.71 ATOM 1393 CA ALA 89 -3.047 -35.916 22.648 1.00 42.22 ATOM 1394 HA ALA 89 -3.168 -36.847 22.105 1.00 13.01 ATOM 1395 CB ALA 89 -3.143 -36.232 24.133 1.00 53.20 ATOM 1396 HB1 ALA 89 -2.722 -35.426 24.710 1.00 12.22 ATOM 1397 HB2 ALA 89 -2.604 -37.142 24.338 1.00 35.44 ATOM 1398 HB3 ALA 89 -4.179 -36.372 24.417 1.00 71.53 ATOM 1399 C ALA 89 -4.162 -34.962 22.234 1.00 34.12 ATOM 1400 O ALA 89 -4.943 -35.259 21.330 1.00 62.41 ATOM 1401 N SER 90 -4.232 -33.815 22.903 1.00 74.34 ATOM 1402 HN SER 90 -3.562 -33.617 23.601 1.00 36.71 ATOM 1403 CA SER 90 -5.256 -32.820 22.607 1.00 1.42 ATOM 1404 HA SER 90 -6.188 -33.334 22.400 1.00 15.11 ATOM 1405 CB SER 90 -5.465 -31.900 23.812 1.00 55.12 ATOM 1406 HB1 SER 90 -4.507 -31.548 24.166 1.00 36.71 ATOM 1407 HB2 SER 90 -5.960 -32.449 24.599 1.00 2.02 ATOM 1408 OG SER 90 -6.263 -30.781 23.466 1.00 12.23 ATOM 1409 HG SER 90 -6.238 -30.138 24.178 1.00 21.13 ATOM 1410 C SER 90 -4.873 -31.994 21.383 1.00 51.41 ATOM 1411 O SER 90 -5.549 -32.037 20.354 1.00 63.31 ATOM 1412 N LEU 91 -3.785 -31.241 21.502 1.00 61.12 ATOM 1413 HN LEU 91 -3.279 -31.255 22.349 1.00 36.71 ATOM 1414 CA LEU 91 -3.310 -30.404 20.405 1.00 12.14 ATOM 1415 HA LEU 91 -4.097 -29.705 20.153 1.00 22.31 ATOM 1416 CB LEU 91 -2.063 -29.629 20.833 1.00 45.13 ATOM 1417 HB1 LEU 91 -1.387 -29.566 19.991 1.00 36.71 ATOM 1418 HB2 LEU 91 -1.570 -30.196 21.609 1.00 40.32 ATOM 1419 CG LEU 91 -2.300 -28.214 21.362 1.00 23.23 ATOM 1420 HG LEU 91 -3.202 -28.200 21.959 1.00 14.32 ATOM 1421 CD1 LEU 91 -1.148 -27.778 22.255 1.00 33.40 ATOM 1422 HD11 LEU 91 -0.267 -27.594 21.667 1.00 21.15 ATOM 1423 HD12 LEU 91 -0.937 -28.546 22.987 1.00 72.50 ATOM 1424 HD13 LEU 91 -1.426 -26.869 22.769 1.00 52.43 ATOM 1425 CD2 LEU 91 -2.483 -27.237 20.210 1.00 31.21 ATOM 1426 HD21 LEU 91 -2.409 -26.217 20.564 1.00 51.54 ATOM 1427 HD22 LEU 91 -3.458 -27.389 19.771 1.00 3.42 ATOM 1428 HD23 LEU 91 -1.729 -27.420 19.464 1.00 14.35 ATOM 1429 C LEU 91 -3.002 -31.246 19.171 1.00 0.24 ATOM 1430 O LEU 91 -3.238 -30.818 18.041 1.00 22.23 ATOM 1431 N ARG 92 -2.476 -32.445 19.396 1.00 23.32 ATOM 1432 HN ARG 92 -2.289 -32.740 20.314 1.00 36.71 ATOM 1433 CA ARG 92 -2.136 -33.348 18.303 1.00 54.13 ATOM 1434 HA ARG 92 -1.678 -34.221 18.720 1.00 54.20 ATOM 1435 CB ARG 92 -3.398 -33.757 17.540 1.00 11.33 ATOM 1436 HB1 ARG 92 -3.106 -34.396 16.714 1.00 36.71 ATOM 1437 HB2 ARG 92 -3.884 -32.880 17.144 1.00 65.43 ATOM 1438 CG ARG 92 -4.404 -34.516 18.390 1.00 1.11 ATOM 1439 HG1 ARG 92 -4.867 -33.835 19.076 1.00 36.71 ATOM 1440 HG2 ARG 92 -3.892 -35.292 18.942 1.00 24.21 ATOM 1441 CD ARG 92 -5.482 -35.161 17.534 1.00 70.43 ATOM 1442 HD1 ARG 92 -5.848 -34.431 16.822 1.00 36.71 ATOM 1443 HD2 ARG 92 -6.293 -35.468 18.178 1.00 73.01 ATOM 1444 NE ARG 92 -4.984 -36.332 16.817 1.00 22.52 ATOM 1445 HE ARG 92 -4.101 -36.688 17.072 1.00 45.44 ATOM 1446 CZ ARG 92 -5.657 -36.942 15.848 1.00 63.13 ATOM 1447 NH1 ARG 92 -6.849 -36.494 15.480 1.00 11.45 ATOM 1448 HH11 ARG 92 -7.266 -35.700 15.917 1.00 60.23 ATOM 1449 HH12 ARG 92 -7.347 -36.960 14.746 1.00 13.22 ATOM 1450 NH2 ARG 92 -5.137 -38.003 15.243 1.00 43.52 ATOM 1451 HH21 ARG 92 -4.236 -38.347 15.515 1.00 61.42 ATOM 1452 HH22 ARG 92 -5.643 -38.465 14.512 1.00 42.34 ATOM 1453 C ARG 92 -1.141 -32.695 17.348 1.00 53.13 ATOM 1454 O ARG 92 -1.111 -33.007 16.157 1.00 71.15 ATOM 1455 N LEU 93 -0.329 -31.787 17.878 1.00 72.12 ATOM 1456 HN LEU 93 -0.379 -31.601 18.837 1.00 36.71 ATOM 1457 CA LEU 93 0.667 -31.089 17.073 1.00 64.11 ATOM 1458 HA LEU 93 0.191 -30.745 16.163 1.00 63.41 ATOM 1459 CB LEU 93 1.204 -29.874 17.832 1.00 65.24 ATOM 1460 HB1 LEU 93 0.372 -29.190 17.942 1.00 36.71 ATOM 1461 HB2 LEU 93 1.947 -29.379 17.226 1.00 23.01 ATOM 1462 CG LEU 93 1.781 -30.151 19.221 1.00 73.24 ATOM 1463 HG LEU 93 1.323 -31.028 19.651 1.00 41.02 ATOM 1464 CD1 LEU 93 3.274 -30.423 19.134 1.00 25.32 ATOM 1465 HD11 LEU 93 3.419 -31.434 18.807 1.00 12.34 ATOM 1466 HD12 LEU 93 3.731 -30.305 20.109 1.00 11.43 ATOM 1467 HD13 LEU 93 3.745 -29.744 18.435 1.00 52.24 ATOM 1468 CD2 LEU 93 1.503 -28.984 20.156 1.00 54.51 ATOM 1469 HD21 LEU 93 0.453 -28.776 20.171 1.00 22.35 ATOM 1470 HD22 LEU 93 2.031 -28.112 19.806 1.00 31.12 ATOM 1471 HD23 LEU 93 1.835 -29.228 21.145 1.00 21.15 ATOM 1472 C LEU 93 1.817 -32.020 16.702 1.00 61.30 ATOM 1473 O LEU 93 1.804 -33.203 17.041 1.00 30.02 ATOM 1474 N GLU 94 2.811 -31.477 16.006 1.00 73.24 ATOM 1475 HN GLU 94 2.770 -30.523 15.771 1.00 36.71 ATOM 1476 CA GLU 94 3.969 -32.260 15.590 1.00 32.14 ATOM 1477 HA GLU 94 3.607 -33.171 15.125 1.00 21.40 ATOM 1478 CB GLU 94 4.791 -31.487 14.557 1.00 31.10 ATOM 1479 HB1 GLU 94 5.488 -32.174 14.096 1.00 36.71 ATOM 1480 HB2 GLU 94 5.348 -30.702 15.057 1.00 61.22 ATOM 1481 CG GLU 94 3.949 -30.839 13.471 1.00 61.02 ATOM 1482 HG1 GLU 94 3.571 -29.897 13.841 1.00 36.71 ATOM 1483 HG2 GLU 94 3.118 -31.487 13.225 1.00 14.45 ATOM 1484 CD GLU 94 4.736 -30.578 12.201 1.00 12.30 ATOM 1485 OE1 GLU 94 5.000 -31.546 11.458 1.00 42.02 ATOM 1486 OE2 GLU 94 5.087 -29.406 11.951 1.00 41.14 ATOM 1487 C GLU 94 4.843 -32.616 16.789 1.00 2.23 ATOM 1488 O GLU 94 5.297 -31.738 17.524 1.00 20.13 ATOM 1489 N THR 95 5.076 -33.911 16.982 1.00 54.35 ATOM 1490 HN THR 95 4.697 -34.575 16.361 1.00 36.71 ATOM 1491 CA THR 95 5.893 -34.384 18.091 1.00 4.01 ATOM 1492 HA THR 95 6.102 -33.559 18.765 1.00 33.01 ATOM 1493 CB THR 95 5.168 -35.478 18.897 1.00 61.32 ATOM 1494 HB THR 95 5.826 -35.865 19.657 1.00 45.20 ATOM 1495 OG1 THR 95 4.794 -36.557 18.032 1.00 0.40 ATOM 1496 HG1 THR 95 5.551 -37.130 17.884 1.00 21.35 ATOM 1497 CG2 THR 95 3.930 -34.917 19.580 1.00 43.41 ATOM 1498 HG21 THR 95 3.250 -34.528 18.836 1.00 53.11 ATOM 1499 HG22 THR 95 4.216 -34.124 20.256 1.00 71.23 ATOM 1500 HG23 THR 95 3.441 -35.703 20.137 1.00 43.21 ATOM 1501 C THR 95 7.227 -34.933 17.596 1.00 12.45 ATOM 1502 O THR 95 7.471 -35.007 16.392 1.00 55.01 ATOM 1503 N PHE 96 8.087 -35.317 18.533 1.00 5.44 ATOM 1504 HN PHE 96 7.849 -35.228 19.467 1.00 36.71 ATOM 1505 CA PHE 96 9.397 -35.859 18.192 1.00 5.21 ATOM 1506 HA PHE 96 9.354 -36.292 17.200 1.00 24.31 ATOM 1507 CB PHE 96 10.450 -34.748 18.197 1.00 54.14 ATOM 1508 HB1 PHE 96 10.157 -33.993 17.479 1.00 36.71 ATOM 1509 HB2 PHE 96 11.404 -35.156 17.894 1.00 72.45 ATOM 1510 CG PHE 96 10.613 -34.082 19.533 1.00 20.31 ATOM 1511 CD1 PHE 96 9.718 -33.111 19.952 1.00 33.43 ATOM 1512 HD1 PHE 96 8.891 -32.841 19.313 1.00 22.22 ATOM 1513 CD2 PHE 96 11.661 -34.428 20.370 1.00 4.14 ATOM 1514 HD2 PHE 96 12.368 -35.180 20.055 1.00 32.34 ATOM 1515 CE1 PHE 96 9.866 -32.497 21.181 1.00 3.03 ATOM 1516 HE1 PHE 96 9.164 -31.747 21.503 1.00 74.12 ATOM 1517 CE2 PHE 96 11.815 -33.817 21.601 1.00 72.12 ATOM 1518 HE2 PHE 96 12.630 -34.098 22.245 1.00 43.42 ATOM 1519 CZ PHE 96 10.915 -32.851 22.007 1.00 24.11 ATOM 1520 HZ PHE 96 11.032 -32.372 22.968 1.00 72.24 ATOM 1521 C PHE 96 9.801 -36.961 19.167 1.00 11.24 ATOM 1522 O PHE 96 9.067 -37.274 20.105 1.00 70.11 ATOM 1523 N ASP 97 10.972 -37.545 18.939 1.00 72.01 ATOM 1524 HN ASP 97 11.520 -37.258 18.171 1.00 36.71 ATOM 1525 CA ASP 97 11.474 -38.612 19.797 1.00 44.12 ATOM 1526 HA ASP 97 10.615 -39.116 20.231 1.00 14.33 ATOM 1527 CB ASP 97 12.278 -39.621 18.975 1.00 41.43 ATOM 1528 HB1 ASP 97 13.305 -39.301 18.901 1.00 36.71 ATOM 1529 HB2 ASP 97 11.859 -39.687 17.981 1.00 2.22 ATOM 1530 CG ASP 97 12.257 -41.010 19.582 1.00 41.35 ATOM 1531 OD1 ASP 97 12.870 -41.924 18.992 1.00 61.41 ATOM 1532 OD2 ASP 97 11.629 -41.182 20.646 1.00 35.05 ATOM 1533 C ASP 97 12.340 -38.045 20.918 1.00 63.43 ATOM 1534 O ASP 97 13.314 -37.337 20.665 1.00 3.02 ATOM 1535 N ALA 98 11.977 -38.362 22.156 1.00 5.04 ATOM 1536 HN ALA 98 11.183 -38.932 22.297 1.00 36.71 ATOM 1537 CA ALA 98 12.722 -37.886 23.316 1.00 55.53 ATOM 1538 HA ALA 98 12.624 -36.814 23.353 1.00 73.34 ATOM 1539 CB ALA 98 12.134 -38.465 24.594 1.00 2.43 ATOM 1540 HB1 ALA 98 12.703 -38.121 25.446 1.00 1.40 ATOM 1541 HB2 ALA 98 12.171 -39.544 24.551 1.00 64.21 ATOM 1542 HB3 ALA 98 11.108 -38.147 24.694 1.00 14.24 ATOM 1543 C ALA 98 14.200 -38.240 23.203 1.00 63.24 ATOM 1544 O ALA 98 15.062 -37.513 23.695 1.00 31.32 ATOM 1545 N ASN 99 14.487 -39.363 22.551 1.00 13.32 ATOM 1546 HN ASN 99 13.759 -39.930 22.208 1.00 36.71 ATOM 1547 CA ASN 99 15.862 -39.814 22.375 1.00 62.42 ATOM 1548 HA ASN 99 16.298 -39.952 23.355 1.00 43.04 ATOM 1549 CB ASN 99 15.891 -41.145 21.620 1.00 22.01 ATOM 1550 HB1 ASN 99 16.918 -41.429 21.428 1.00 36.71 ATOM 1551 HB2 ASN 99 15.372 -41.030 20.680 1.00 74.01 ATOM 1552 CG ASN 99 15.229 -42.266 22.398 1.00 10.43 ATOM 1553 OD1 ASN 99 14.276 -42.885 21.926 1.00 31.40 ATOM 1554 ND2 ASN 99 15.732 -42.530 23.598 1.00 25.33 ATOM 1555 HD21 ASN 99 16.496 -42.006 23.927 1.00 24.42 ATOM 1556 HD22 ASN 99 15.315 -43.249 24.117 1.00 71.33 ATOM 1557 C ASN 99 16.685 -38.772 21.623 1.00 73.42 ATOM 1558 O ASN 99 17.818 -38.471 21.999 1.00 73.52 ATOM 1559 N ASP 100 16.106 -38.225 20.559 1.00 22.25 ATOM 1560 HN ASP 100 15.199 -38.514 20.298 1.00 36.71 ATOM 1561 CA ASP 100 16.784 -37.215 19.755 1.00 23.40 ATOM 1562 HA ASP 100 17.707 -37.644 19.384 1.00 14.23 ATOM 1563 CB ASP 100 15.909 -36.804 18.570 1.00 20.31 ATOM 1564 HB1 ASP 100 16.283 -35.881 18.144 1.00 36.71 ATOM 1565 HB2 ASP 100 14.897 -36.649 18.910 1.00 73.32 ATOM 1566 CG ASP 100 15.893 -37.849 17.472 1.00 62.50 ATOM 1567 OD1 ASP 100 16.928 -38.011 16.792 1.00 22.25 ATOM 1568 OD2 ASP 100 14.846 -38.505 17.291 1.00 35.14 ATOM 1569 C ASP 100 17.129 -35.991 20.597 1.00 22.24 ATOM 1570 O ASP 100 18.074 -35.261 20.293 1.00 34.14 ATOM 1571 N LEU 101 16.358 -35.772 21.656 1.00 13.32 ATOM 1572 HN LEU 101 15.593 -36.356 21.837 1.00 36.71 ATOM 1573 CA LEU 101 16.581 -34.635 22.543 1.00 55.22 ATOM 1574 HA LEU 101 16.964 -33.807 21.958 1.00 43.40 ATOM 1575 CB LEU 101 15.264 -34.201 23.189 1.00 54.11 ATOM 1576 HB1 LEU 101 14.732 -35.090 23.497 1.00 36.71 ATOM 1577 HB2 LEU 101 14.678 -33.704 22.444 1.00 5.33 ATOM 1578 CG LEU 101 15.383 -33.281 24.405 1.00 64.43 ATOM 1579 HG LEU 101 15.855 -33.815 25.217 1.00 3.14 ATOM 1580 CD1 LEU 101 16.243 -32.071 24.076 1.00 51.43 ATOM 1581 HD11 LEU 101 16.373 -31.483 24.964 1.00 1.53 ATOM 1582 HD12 LEU 101 15.768 -31.482 23.326 1.00 14.24 ATOM 1583 HD13 LEU 101 17.209 -32.367 23.721 1.00 21.54 ATOM 1584 CD2 LEU 101 14.006 -32.846 24.882 1.00 54.11 ATOM 1585 HD21 LEU 101 14.101 -32.290 25.789 1.00 72.31 ATOM 1586 HD22 LEU 101 13.396 -33.713 25.067 1.00 21.43 ATOM 1587 HD23 LEU 101 13.534 -32.231 24.129 1.00 75.13 ATOM 1588 C LEU 101 17.601 -34.979 23.623 1.00 1.50 ATOM 1589 O LEU 101 18.572 -34.249 23.829 1.00 73.52 ATOM 1590 N TYR 102 17.376 -36.094 24.309 1.00 41.25 ATOM 1591 HN TYR 102 16.580 -36.636 24.099 1.00 36.71 ATOM 1592 CA TYR 102 18.276 -36.534 25.368 1.00 71.51 ATOM 1593 HA TYR 102 18.265 -35.772 26.131 1.00 13.14 ATOM 1594 CB TYR 102 17.799 -37.866 25.950 1.00 61.45 ATOM 1595 HB1 TYR 102 18.127 -38.685 25.319 1.00 36.71 ATOM 1596 HB2 TYR 102 16.722 -37.851 25.967 1.00 2.22 ATOM 1597 CG TYR 102 18.273 -38.114 27.364 1.00 40.22 ATOM 1598 CD1 TYR 102 18.101 -37.153 28.353 1.00 34.30 ATOM 1599 HD1 TYR 102 17.615 -36.221 28.106 1.00 64.13 ATOM 1600 CD2 TYR 102 18.894 -39.307 27.711 1.00 70.21 ATOM 1601 HD2 TYR 102 19.038 -40.067 26.955 1.00 31.21 ATOM 1602 CE1 TYR 102 18.533 -37.374 29.647 1.00 75.55 ATOM 1603 HE1 TYR 102 18.383 -36.619 30.401 1.00 45.11 ATOM 1604 CE2 TYR 102 19.328 -39.538 29.002 1.00 13.40 ATOM 1605 HE2 TYR 102 19.810 -40.467 29.250 1.00 32.14 ATOM 1606 CZ TYR 102 19.145 -38.568 29.966 1.00 20.31 ATOM 1607 OH TYR 102 19.577 -38.793 31.253 1.00 30.41 ATOM 1608 HH TYR 102 20.537 -38.739 31.290 1.00 11.32 ATOM 1609 C TYR 102 19.703 -36.676 24.847 1.00 52.11 ATOM 1610 O TYR 102 20.634 -36.079 25.387 1.00 54.31 ATOM 1611 N GLN 103 19.865 -37.470 23.794 1.00 62.14 ATOM 1612 HN GLN 103 19.077 -37.912 23.396 1.00 36.71 ATOM 1613 CA GLN 103 21.178 -37.691 23.199 1.00 42.50 ATOM 1614 HA GLN 103 21.902 -37.807 23.997 1.00 72.11 ATOM 1615 CB GLN 103 21.172 -38.968 22.357 1.00 2.40 ATOM 1616 HB1 GLN 103 22.140 -39.092 21.886 1.00 36.71 ATOM 1617 HB2 GLN 103 20.422 -38.865 21.583 1.00 30.30 ATOM 1618 CG GLN 103 20.847 -40.220 23.154 1.00 34.42 ATOM 1619 HG1 GLN 103 20.415 -40.945 22.479 1.00 36.71 ATOM 1620 HG2 GLN 103 20.124 -39.986 23.924 1.00 61.12 ATOM 1621 CD GLN 103 22.074 -40.842 23.792 1.00 53.33 ATOM 1622 OE1 GLN 103 23.123 -40.963 23.158 1.00 35.22 ATOM 1623 NE2 GLN 103 21.949 -41.239 25.053 1.00 60.24 ATOM 1624 HE21 GLN 103 21.087 -41.118 25.512 1.00 13.21 ATOM 1625 HE22 GLN 103 22.732 -41.643 25.482 1.00 51.10 ATOM 1626 C GLN 103 21.592 -36.502 22.338 1.00 4.31 ATOM 1627 O GLN 103 22.770 -36.328 22.028 1.00 40.25 ATOM 1628 N GLY 104 20.615 -35.685 21.955 1.00 62.51 ATOM 1629 HN GLY 104 19.687 -35.873 22.190 1.00 36.71 ATOM 1630 CA GLY 104 20.899 -34.524 21.133 1.00 54.41 ATOM 1631 HA1 GLY 104 21.719 -33.965 21.566 1.00 36.71 ATOM 1632 HA2 GLY 104 20.023 -33.892 21.116 1.00 24.40 ATOM 1633 C GLY 104 21.256 -34.895 19.707 1.00 30.24 ATOM 1634 O GLY 104 22.056 -34.216 19.065 1.00 41.21 ATOM 1635 N GLN 105 20.663 -35.977 19.213 1.00 20.12 ATOM 1636 HN GLN 105 20.008 -36.470 19.762 1.00 36.71 ATOM 1637 CA GLN 105 20.926 -36.439 17.855 1.00 11.42 ATOM 1638 HA GLN 105 21.998 -36.451 17.700 1.00 4.43 ATOM 1639 CB GLN 105 20.387 -37.857 17.663 1.00 64.40 ATOM 1640 HB1 GLN 105 20.519 -38.155 16.629 1.00 36.71 ATOM 1641 HB2 GLN 105 19.330 -37.855 17.890 1.00 53.44 ATOM 1642 CG GLN 105 21.055 -38.888 18.559 1.00 62.22 ATOM 1643 HG1 GLN 105 20.358 -39.699 18.716 1.00 36.71 ATOM 1644 HG2 GLN 105 21.290 -38.441 19.516 1.00 60.43 ATOM 1645 CD GLN 105 22.318 -39.463 17.947 1.00 13.41 ATOM 1646 OE1 GLN 105 22.309 -39.944 16.814 1.00 51.23 ATOM 1647 NE2 GLN 105 23.413 -39.415 18.696 1.00 63.11 ATOM 1648 HE21 GLN 105 23.365 -39.019 19.595 1.00 23.21 ATOM 1649 HE22 GLN 105 24.239 -39.782 18.317 1.00 41.11 ATOM 1650 C GLN 105 20.298 -35.500 16.830 1.00 34.32 ATOM 1651 O GLN 105 20.938 -35.115 15.853 1.00 74.44 ATOM 1652 N ASN 106 19.040 -35.136 17.061 1.00 63.42 ATOM 1653 HN ASN 106 18.565 -35.487 17.850 1.00 36.71 ATOM 1654 CA ASN 106 18.325 -34.244 16.156 1.00 11.44 ATOM 1655 HA ASN 106 19.034 -33.771 15.484 1.00 1.22 ATOM 1656 CB ASN 106 17.315 -35.032 15.321 1.00 72.52 ATOM 1657 HB1 ASN 106 16.760 -34.351 14.696 1.00 36.71 ATOM 1658 HB2 ASN 106 16.633 -35.547 15.981 1.00 71.24 ATOM 1659 CG ASN 106 17.982 -36.053 14.420 1.00 70.54 ATOM 1660 OD1 ASN 106 19.160 -35.927 14.086 1.00 62.33 ATOM 1661 ND2 ASN 106 17.229 -37.072 14.021 1.00 21.21 ATOM 1662 HD21 ASN 106 16.292 -37.121 14.319 1.00 4.24 ATOM 1663 HD22 ASN 106 17.642 -37.743 13.438 1.00 24.34 ATOM 1664 C ASN 106 17.610 -33.142 16.933 1.00 54.04 ATOM 1665 O ASN 106 16.414 -33.239 17.210 1.00 30.10 ATOM 1666 N PHE 107 18.350 -32.094 17.280 1.00 74.22 ATOM 1667 HN PHE 107 19.303 -32.071 17.023 1.00 36.71 ATOM 1668 CA PHE 107 17.787 -30.974 18.024 1.00 12.33 ATOM 1669 HA PHE 107 17.312 -31.364 18.915 1.00 23.54 ATOM 1670 CB PHE 107 18.894 -30.004 18.442 1.00 21.15 ATOM 1671 HB1 PHE 107 19.395 -29.637 17.555 1.00 36.71 ATOM 1672 HB2 PHE 107 19.610 -30.538 19.052 1.00 31.31 ATOM 1673 CG PHE 107 18.395 -28.832 19.239 1.00 65.22 ATOM 1674 CD1 PHE 107 17.818 -29.019 20.484 1.00 31.32 ATOM 1675 HD1 PHE 107 17.727 -30.019 20.886 1.00 43.41 ATOM 1676 CD2 PHE 107 18.504 -27.543 18.741 1.00 31.55 ATOM 1677 HD2 PHE 107 18.953 -27.380 17.771 1.00 31.45 ATOM 1678 CE1 PHE 107 17.358 -27.943 21.220 1.00 64.12 ATOM 1679 HE1 PHE 107 16.910 -28.103 22.189 1.00 72.41 ATOM 1680 CE2 PHE 107 18.047 -26.463 19.473 1.00 74.44 ATOM 1681 HE2 PHE 107 18.135 -25.464 19.074 1.00 44.02 ATOM 1682 CZ PHE 107 17.472 -26.664 20.713 1.00 41.54 ATOM 1683 HZ PHE 107 17.110 -25.824 21.279 1.00 64.32 ATOM 1684 C PHE 107 16.739 -30.239 17.192 1.00 25.24 ATOM 1685 O PHE 107 15.826 -29.618 17.733 1.00 32.04 ATOM 1686 N ASN 108 16.881 -30.315 15.873 1.00 34.40 ATOM 1687 HN ASN 108 17.661 -30.781 15.495 1.00 36.71 ATOM 1688 CA ASN 108 15.948 -29.657 14.965 1.00 20.13 ATOM 1689 HA ASN 108 16.062 -28.590 15.086 1.00 44.22 ATOM 1690 CB ASN 108 16.267 -30.029 13.516 1.00 55.13 ATOM 1691 HB1 ASN 108 17.218 -29.590 13.250 1.00 36.71 ATOM 1692 HB2 ASN 108 15.504 -29.629 12.859 1.00 33.34 ATOM 1693 CG ASN 108 16.368 -31.528 13.312 1.00 21.34 ATOM 1694 OD1 ASN 108 17.324 -32.163 13.759 1.00 72.13 ATOM 1695 ND2 ASN 108 15.380 -32.102 12.635 1.00 10.43 ATOM 1696 HD21 ASN 108 14.640 -31.547 12.301 1.00 31.33 ATOM 1697 HD22 ASN 108 15.429 -33.070 12.493 1.00 40.12 ATOM 1698 C ASN 108 14.508 -30.038 15.295 1.00 11.20 ATOM 1699 O ASN 108 13.627 -29.180 15.363 1.00 21.21 ATOM 1700 N LYS 109 14.275 -31.330 15.500 1.00 43.24 ATOM 1701 HN LYS 109 15.029 -31.958 15.498 1.00 36.71 ATOM 1702 CA LYS 109 12.943 -31.826 15.824 1.00 2.13 ATOM 1703 HA LYS 109 12.263 -31.504 15.046 1.00 61.23 ATOM 1704 CB LYS 109 12.944 -33.355 15.874 1.00 23.54 ATOM 1705 HB1 LYS 109 11.916 -33.693 15.883 1.00 36.71 ATOM 1706 HB2 LYS 109 13.430 -33.683 16.786 1.00 64.44 ATOM 1707 CG LYS 109 13.666 -34.002 14.705 1.00 42.23 ATOM 1708 HG1 LYS 109 14.719 -34.034 14.921 1.00 36.71 ATOM 1709 HG2 LYS 109 13.497 -33.419 13.810 1.00 72.54 ATOM 1710 CD LYS 109 13.168 -35.415 14.454 1.00 75.02 ATOM 1711 HD1 LYS 109 13.693 -35.823 13.603 1.00 36.71 ATOM 1712 HD2 LYS 109 12.108 -35.386 14.244 1.00 54.24 ATOM 1713 CE LYS 109 13.409 -36.313 15.657 1.00 35.14 ATOM 1714 HE1 LYS 109 12.913 -35.902 16.522 1.00 36.71 ATOM 1715 HE2 LYS 109 14.467 -36.358 15.839 1.00 24.53 ATOM 1716 NZ LYS 109 12.899 -37.694 15.430 1.00 12.33 ATOM 1717 HZ1 LYS 109 11.873 -37.676 15.249 1.00 15.54 ATOM 1718 HZ2 LYS 109 13.078 -38.281 16.269 1.00 53.43 ATOM 1719 HZ3 LYS 109 13.378 -38.127 14.613 1.00 51.32 ATOM 1720 C LYS 109 12.463 -31.263 17.159 1.00 64.55 ATOM 1721 O LYS 109 11.287 -30.940 17.320 1.00 35.22 ATOM 1722 N VAL 110 13.383 -31.148 18.112 1.00 55.21 ATOM 1723 HN VAL 110 14.312 -31.390 17.909 1.00 36.71 ATOM 1724 CA VAL 110 13.054 -30.622 19.431 1.00 14.32 ATOM 1725 HA VAL 110 12.236 -31.210 19.832 1.00 23.42 ATOM 1726 CB VAL 110 14.250 -30.735 20.395 1.00 52.01 ATOM 1727 HB VAL 110 15.021 -30.043 20.078 1.00 53.11 ATOM 1728 CG1 VAL 110 13.833 -30.364 21.810 1.00 51.12 ATOM 1729 HG11 VAL 110 14.712 -30.237 22.412 1.00 53.05 ATOM 1730 HG12 VAL 110 13.217 -31.146 22.232 1.00 70.55 ATOM 1731 HG13 VAL 110 13.276 -29.439 21.809 1.00 22.43 ATOM 1732 CG2 VAL 110 14.836 -32.138 20.354 1.00 73.24 ATOM 1733 HG21 VAL 110 14.061 -32.867 20.514 1.00 4.41 ATOM 1734 HG22 VAL 110 15.588 -32.240 21.125 1.00 31.44 ATOM 1735 HG23 VAL 110 15.299 -32.313 19.397 1.00 51.52 ATOM 1736 C VAL 110 12.618 -29.163 19.348 1.00 21.13 ATOM 1737 O VAL 110 11.646 -28.757 19.986 1.00 54.33 ATOM 1738 N LEU 111 13.344 -28.379 18.559 1.00 54.04 ATOM 1739 HN LEU 111 14.117 -28.758 18.076 1.00 36.71 ATOM 1740 CA LEU 111 13.032 -26.964 18.391 1.00 43.31 ATOM 1741 HA LEU 111 12.956 -26.521 19.375 1.00 21.44 ATOM 1742 CB LEU 111 14.143 -26.267 17.603 1.00 1.23 ATOM 1743 HB1 LEU 111 13.914 -26.343 16.545 1.00 36.71 ATOM 1744 HB2 LEU 111 15.071 -26.802 17.776 1.00 2.23 ATOM 1745 CG LEU 111 14.381 -24.794 17.938 1.00 54.20 ATOM 1746 HG LEU 111 13.434 -24.272 17.935 1.00 72.03 ATOM 1747 CD1 LEU 111 14.988 -24.653 19.325 1.00 12.31 ATOM 1748 HD11 LEU 111 16.064 -24.665 19.268 1.00 5.42 ATOM 1749 HD12 LEU 111 14.665 -25.458 19.970 1.00 73.35 ATOM 1750 HD13 LEU 111 14.668 -23.724 19.753 1.00 25.52 ATOM 1751 CD2 LEU 111 15.278 -24.147 16.893 1.00 71.33 ATOM 1752 HD21 LEU 111 14.815 -24.228 15.919 1.00 62.43 ATOM 1753 HD22 LEU 111 16.237 -24.646 16.875 1.00 32.24 ATOM 1754 HD23 LEU 111 15.422 -23.108 17.131 1.00 24.12 ATOM 1755 C LEU 111 11.696 -26.781 17.678 1.00 2.31 ATOM 1756 O LEU 111 10.829 -26.041 18.143 1.00 22.25 ATOM 1757 N SER 112 11.537 -27.461 16.547 1.00 15.04 ATOM 1758 HN SER 112 12.271 -28.036 16.222 1.00 36.71 ATOM 1759 CA SER 112 10.307 -27.372 15.769 1.00 35.42 ATOM 1760 HA SER 112 10.224 -26.364 15.389 1.00 24.21 ATOM 1761 CB SER 112 10.354 -28.345 14.589 1.00 54.30 ATOM 1762 HB1 SER 112 10.842 -29.261 14.893 1.00 36.71 ATOM 1763 HB2 SER 112 10.907 -27.897 13.777 1.00 13.00 ATOM 1764 OG SER 112 9.049 -28.658 14.134 1.00 53.44 ATOM 1765 HG SER 112 8.724 -27.950 13.571 1.00 22.34 ATOM 1766 C SER 112 9.090 -27.671 16.640 1.00 10.43 ATOM 1767 O SER 112 8.012 -27.114 16.432 1.00 70.13 ATOM 1768 N SER 113 9.272 -28.553 17.617 1.00 33.33 ATOM 1769 HN SER 113 10.146 -28.994 17.723 1.00 36.71 ATOM 1770 CA SER 113 8.189 -28.930 18.519 1.00 51.44 ATOM 1771 HA SER 113 7.344 -29.245 17.921 1.00 73.32 ATOM 1772 CB SER 113 8.621 -30.096 19.410 1.00 53.32 ATOM 1773 HB1 SER 113 9.403 -29.776 20.085 1.00 36.71 ATOM 1774 HB2 SER 113 8.994 -30.877 18.777 1.00 3.21 ATOM 1775 OG SER 113 7.529 -30.591 20.166 1.00 63.43 ATOM 1776 HG SER 113 7.388 -30.031 20.934 1.00 3.41 ATOM 1777 C SER 113 7.764 -27.745 19.382 1.00 61.43 ATOM 1778 O SER 113 6.578 -27.431 19.485 1.00 35.42 ATOM 1779 N LEU 114 8.741 -27.091 20.000 1.00 64.43 ATOM 1780 HN LEU 114 9.674 -27.379 19.860 1.00 36.71 ATOM 1781 CA LEU 114 8.471 -25.941 20.855 1.00 53.22 ATOM 1782 HA LEU 114 7.713 -26.222 21.575 1.00 60.11 ATOM 1783 CB LEU 114 9.738 -25.530 21.607 1.00 32.30 ATOM 1784 HB1 LEU 114 9.475 -24.758 22.314 1.00 36.71 ATOM 1785 HB2 LEU 114 10.436 -25.111 20.891 1.00 42.00 ATOM 1786 CG LEU 114 10.460 -26.645 22.364 1.00 30.41 ATOM 1787 HG LEU 114 10.843 -27.359 21.662 1.00 0.24 ATOM 1788 CD1 LEU 114 11.639 -26.084 23.144 1.00 34.33 ATOM 1789 HD11 LEU 114 12.355 -25.663 22.458 1.00 34.42 ATOM 1790 HD12 LEU 114 12.112 -26.878 23.696 1.00 62.52 ATOM 1791 HD13 LEU 114 11.299 -25.320 23.829 1.00 12.14 ATOM 1792 CD2 LEU 114 9.497 -27.368 23.295 1.00 63.21 ATOM 1793 HD21 LEU 114 8.710 -27.835 22.721 1.00 40.53 ATOM 1794 HD22 LEU 114 9.066 -26.666 23.994 1.00 54.13 ATOM 1795 HD23 LEU 114 10.032 -28.128 23.838 1.00 54.54 ATOM 1796 C LEU 114 7.948 -24.765 20.036 1.00 42.21 ATOM 1797 O LEU 114 7.182 -23.940 20.534 1.00 40.32 ATOM 1798 N VAL 115 8.366 -24.695 18.776 1.00 61.51 ATOM 1799 HN VAL 115 8.985 -25.376 18.427 1.00 36.71 ATOM 1800 CA VAL 115 7.938 -23.623 17.886 1.00 12.44 ATOM 1801 HA VAL 115 8.010 -22.683 18.424 1.00 32.42 ATOM 1802 CB VAL 115 8.839 -23.533 16.641 1.00 43.32 ATOM 1803 HB VAL 115 8.743 -24.452 16.077 1.00 53.33 ATOM 1804 CG1 VAL 115 8.404 -22.380 15.748 1.00 22.35 ATOM 1805 HG11 VAL 115 9.129 -22.239 14.956 1.00 14.04 ATOM 1806 HG12 VAL 115 8.333 -21.470 16.328 1.00 64.55 ATOM 1807 HG13 VAL 115 7.445 -22.600 15.305 1.00 35.43 ATOM 1808 CG2 VAL 115 10.297 -23.381 17.049 1.00 60.15 ATOM 1809 HG21 VAL 115 10.460 -23.720 18.059 1.00 21.22 ATOM 1810 HG22 VAL 115 10.599 -22.343 16.983 1.00 73.31 ATOM 1811 HG23 VAL 115 10.910 -23.967 16.380 1.00 5.41 ATOM 1812 C VAL 115 6.493 -23.821 17.441 1.00 23.35 ATOM 1813 O VAL 115 5.791 -22.860 17.125 1.00 31.41 ATOM 1814 N THR 116 6.054 -25.076 17.420 1.00 53.15 ATOM 1815 HN THR 116 6.654 -25.813 17.677 1.00 36.71 ATOM 1816 CA THR 116 4.693 -25.402 17.013 1.00 53.12 ATOM 1817 HA THR 116 4.404 -24.735 16.208 1.00 41.53 ATOM 1818 CB THR 116 4.594 -26.847 16.489 1.00 33.24 ATOM 1819 HB THR 116 4.908 -27.523 17.273 1.00 25.54 ATOM 1820 OG1 THR 116 5.453 -27.018 15.357 1.00 52.14 ATOM 1821 HG1 THR 116 6.352 -27.169 15.655 1.00 1.32 ATOM 1822 CG2 THR 116 3.162 -27.186 16.102 1.00 1.42 ATOM 1823 HG21 THR 116 2.557 -27.295 16.989 1.00 41.41 ATOM 1824 HG22 THR 116 3.155 -28.115 15.552 1.00 13.40 ATOM 1825 HG23 THR 116 2.752 -26.402 15.479 1.00 34.21 ATOM 1826 C THR 116 3.716 -25.224 18.169 1.00 32.35 ATOM 1827 O THR 116 2.622 -24.684 17.995 1.00 65.40 ATOM 1828 N LEU 117 4.116 -25.681 19.351 1.00 0.10 ATOM 1829 HN LEU 117 4.997 -26.118 19.430 1.00 36.71 ATOM 1830 CA LEU 117 3.275 -25.572 20.538 1.00 4.42 ATOM 1831 HA LEU 117 2.391 -26.155 20.377 1.00 21.31 ATOM 1832 CB LEU 117 4.009 -26.128 21.760 1.00 72.53 ATOM 1833 HB1 LEU 117 5.016 -25.731 21.751 1.00 36.71 ATOM 1834 HB2 LEU 117 4.068 -27.203 21.651 1.00 2.12 ATOM 1835 CG LEU 117 3.385 -25.812 23.119 1.00 1.43 ATOM 1836 HG LEU 117 3.336 -24.744 23.260 1.00 54.34 ATOM 1837 CD1 LEU 117 1.965 -26.352 23.194 1.00 3.51 ATOM 1838 HD11 LEU 117 1.887 -27.275 22.643 1.00 62.14 ATOM 1839 HD12 LEU 117 1.289 -25.638 22.767 1.00 40.31 ATOM 1840 HD13 LEU 117 1.682 -26.528 24.224 1.00 15.00 ATOM 1841 CD2 LEU 117 4.236 -26.385 24.243 1.00 33.41 ATOM 1842 HD21 LEU 117 4.077 -27.448 24.318 1.00 52.21 ATOM 1843 HD22 LEU 117 3.954 -25.917 25.169 1.00 73.41 ATOM 1844 HD23 LEU 117 5.282 -26.193 24.047 1.00 33.31 ATOM 1845 C LEU 117 2.874 -24.122 20.789 1.00 14.34 ATOM 1846 O LEU 117 1.797 -23.848 21.318 1.00 72.43 ATOM 1847 N ASN 118 3.747 -23.196 20.405 1.00 75.10 ATOM 1848 HN ASN 118 4.609 -23.465 20.011 1.00 36.71 ATOM 1849 CA ASN 118 3.482 -21.774 20.587 1.00 11.50 ATOM 1850 HA ASN 118 3.051 -21.628 21.570 1.00 54.44 ATOM 1851 CB ASN 118 4.785 -20.976 20.504 1.00 62.34 ATOM 1852 HB1 ASN 118 5.298 -21.236 19.590 1.00 36.71 ATOM 1853 HB2 ASN 118 5.412 -21.225 21.343 1.00 52.44 ATOM 1854 CG ASN 118 4.548 -19.479 20.507 1.00 40.50 ATOM 1855 OD1 ASN 118 4.661 -18.819 19.474 1.00 43.51 ATOM 1856 ND2 ASN 118 4.217 -18.935 21.672 1.00 1.34 ATOM 1857 HD21 ASN 118 4.122 -19.507 22.444 1.00 45.10 ATOM 1858 HD22 ASN 118 4.081 -17.965 21.702 1.00 24.41 ATOM 1859 C ASN 118 2.494 -21.266 19.541 1.00 2.30 ATOM 1860 O ASN 118 1.562 -20.527 19.858 1.00 11.31 ATOM 1861 N LYS 119 2.705 -21.668 18.292 1.00 12.42 ATOM 1862 HN LYS 119 3.473 -22.255 18.095 1.00 36.71 ATOM 1863 CA LYS 119 1.833 -21.256 17.198 1.00 21.02 ATOM 1864 HA LYS 119 1.758 -20.175 17.212 1.00 12.34 ATOM 1865 CB LYS 119 2.420 -21.701 15.856 1.00 14.15 ATOM 1866 HB1 LYS 119 1.642 -21.687 15.101 1.00 36.71 ATOM 1867 HB2 LYS 119 2.782 -22.716 15.960 1.00 53.34 ATOM 1868 CG LYS 119 3.553 -20.817 15.365 1.00 72.00 ATOM 1869 HG1 LYS 119 4.102 -20.431 16.216 1.00 36.71 ATOM 1870 HG2 LYS 119 3.141 -19.991 14.806 1.00 1.34 ATOM 1871 CD LYS 119 4.520 -21.589 14.483 1.00 32.01 ATOM 1872 HD1 LYS 119 4.918 -22.423 15.033 1.00 36.71 ATOM 1873 HD2 LYS 119 5.325 -20.933 14.189 1.00 4.31 ATOM 1874 CE LYS 119 3.835 -22.114 13.231 1.00 55.02 ATOM 1875 HE1 LYS 119 3.071 -22.823 13.511 1.00 36.71 ATOM 1876 HE2 LYS 119 4.573 -22.612 12.620 1.00 34.03 ATOM 1877 NZ LYS 119 3.217 -21.017 12.435 1.00 21.02 ATOM 1878 HZ1 LYS 119 2.947 -21.374 11.496 1.00 10.35 ATOM 1879 HZ2 LYS 119 3.886 -20.228 12.309 1.00 53.23 ATOM 1880 HZ3 LYS 119 2.363 -20.662 12.910 1.00 51.31 ATOM 1881 C LYS 119 0.433 -21.836 17.370 1.00 30.14 ATOM 1882 O LYS 119 -0.560 -21.109 17.333 1.00 21.33 ATOM 1883 N VAL 120 0.361 -23.150 17.560 1.00 13.21 ATOM 1884 HN VAL 120 1.192 -23.674 17.568 1.00 36.71 ATOM 1885 CA VAL 120 -0.918 -23.827 17.741 1.00 62.02 ATOM 1886 HA VAL 120 -1.477 -23.743 16.817 1.00 64.03 ATOM 1887 CB VAL 120 -0.721 -25.321 18.059 1.00 74.20 ATOM 1888 HB VAL 120 -1.690 -25.764 18.200 1.00 12.01 ATOM 1889 CG1 VAL 120 -0.055 -26.033 16.892 1.00 44.24 ATOM 1890 HG11 VAL 120 0.897 -25.584 16.675 1.00 24.34 ATOM 1891 HG12 VAL 120 -0.689 -25.959 16.020 1.00 23.10 ATOM 1892 HG13 VAL 120 0.088 -27.077 17.137 1.00 53.24 ATOM 1893 CG2 VAL 120 0.092 -25.492 19.333 1.00 1.20 ATOM 1894 HG21 VAL 120 -0.511 -25.217 20.183 1.00 71.25 ATOM 1895 HG22 VAL 120 0.947 -24.872 19.301 1.00 34.13 ATOM 1896 HG23 VAL 120 0.400 -26.524 19.442 1.00 41.31 ATOM 1897 C VAL 120 -1.728 -23.182 18.860 1.00 23.51 ATOM 1898 O VAL 120 -2.958 -23.146 18.811 1.00 63.13 ATOM 1899 N THR 121 -1.030 -22.673 19.871 1.00 62.33 ATOM 1900 HN THR 121 -0.048 -22.745 19.878 1.00 36.71 ATOM 1901 CA THR 121 -1.683 -22.030 21.003 1.00 33.15 ATOM 1902 HA THR 121 -2.626 -22.517 21.178 1.00 74.33 ATOM 1903 CB THR 121 -0.833 -22.147 22.283 1.00 52.43 ATOM 1904 HB THR 121 -1.265 -21.525 23.053 1.00 14.32 ATOM 1905 OG1 THR 121 0.504 -21.703 22.025 1.00 74.23 ATOM 1906 HG1 THR 121 0.537 -20.743 22.056 1.00 13.43 ATOM 1907 CG2 THR 121 -0.808 -23.582 22.787 1.00 15.42 ATOM 1908 HG21 THR 121 -1.408 -23.654 23.682 1.00 72.54 ATOM 1909 HG22 THR 121 0.196 -23.867 23.013 1.00 45.13 ATOM 1910 HG23 THR 121 -1.205 -24.258 22.041 1.00 60.32 ATOM 1911 C THR 121 -1.953 -20.557 20.719 1.00 73.12 ATOM 1912 O THR 121 -2.883 -19.969 21.270 1.00 72.11 ATOM 1913 N ALA 122 -1.135 -19.967 19.854 1.00 4.43 ATOM 1914 HN ALA 122 -0.383 -20.467 19.478 1.00 36.71 ATOM 1915 CA ALA 122 -1.287 -18.562 19.494 1.00 35.45 ATOM 1916 HA ALA 122 -1.179 -17.969 20.393 1.00 12.43 ATOM 1917 CB ALA 122 -0.193 -18.144 18.523 1.00 34.32 ATOM 1918 HB1 ALA 122 -0.266 -17.083 18.331 1.00 54.41 ATOM 1919 HB2 ALA 122 -0.300 -18.685 17.594 1.00 64.32 ATOM 1920 HB3 ALA 122 0.772 -18.362 18.955 1.00 53.14 ATOM 1921 C ALA 122 -2.663 -18.297 18.891 1.00 4.35 ATOM 1922 O ALA 122 -3.202 -17.196 19.012 1.00 22.51 ATOM 1923 N ASP 123 -3.224 -19.310 18.242 1.00 74.20 ATOM 1924 HN ASP 123 -2.743 -20.164 18.152 1.00 36.71 ATOM 1925 CA ASP 123 -4.538 -19.186 17.620 1.00 4.00 ATOM 1926 HA ASP 123 -4.601 -18.203 17.165 1.00 35.43 ATOM 1927 CB ASP 123 -4.714 -20.249 16.535 1.00 72.31 ATOM 1928 HB1 ASP 123 -4.853 -21.220 16.992 1.00 36.71 ATOM 1929 HB2 ASP 123 -3.825 -20.273 15.921 1.00 11.31 ATOM 1930 CG ASP 123 -5.900 -19.966 15.634 1.00 12.22 ATOM 1931 OD1 ASP 123 -6.347 -20.896 14.932 1.00 62.35 ATOM 1932 OD2 ASP 123 -6.381 -18.813 15.631 1.00 33.12 ATOM 1933 C ASP 123 -5.646 -19.314 18.660 1.00 21.14 ATOM 1934 O ASP 123 -6.744 -18.787 18.479 1.00 31.45 ATOM 1935 N ILE 124 -5.351 -20.017 19.748 1.00 24.53 ATOM 1936 HN ILE 124 -4.461 -20.405 19.843 1.00 36.71 ATOM 1937 CA ILE 124 -6.322 -20.214 20.817 1.00 71.40 ATOM 1938 HA ILE 124 -7.233 -20.607 20.377 1.00 74.30 ATOM 1939 CB ILE 124 -5.814 -21.227 21.860 1.00 3.35 ATOM 1940 HB ILE 124 -4.942 -20.811 22.346 1.00 54.32 ATOM 1941 CG1 ILE 124 -5.423 -22.540 21.180 1.00 30.45 ATOM 1942 HG11 ILE 124 -4.694 -22.353 20.408 1.00 36.71 ATOM 1943 HG12 ILE 124 -6.299 -22.987 20.733 1.00 71.23 ATOM 1944 CG2 ILE 124 -6.874 -21.469 22.924 1.00 75.23 ATOM 1945 HG21 ILE 124 -6.512 -22.182 23.651 1.00 43.14 ATOM 1946 HG22 ILE 124 -7.771 -21.857 22.463 1.00 23.15 ATOM 1947 HG23 ILE 124 -7.107 -20.546 23.434 1.00 32.13 ATOM 1948 CD1 ILE 124 -4.820 -23.555 22.127 1.00 51.21 ATOM 1949 HD11 ILE 124 -5.592 -23.951 22.769 1.00 30.11 ATOM 1950 HD12 ILE 124 -4.055 -23.087 22.731 1.00 54.13 ATOM 1951 HD13 ILE 124 -4.382 -24.360 21.556 1.00 24.44 ATOM 1952 C ILE 124 -6.644 -18.898 21.517 1.00 71.33 ATOM 1953 O ILE 124 -7.783 -18.657 21.915 1.00 23.55 ATOM 1954 N GLY 125 -5.632 -18.048 21.661 1.00 51.11 ATOM 1955 HN GLY 125 -4.733 -18.285 21.344 1.00 36.71 ATOM 1956 CA GLY 125 -5.828 -16.765 22.311 1.00 20.31 ATOM 1957 HA1 GLY 125 -6.847 -16.424 22.171 1.00 36.71 ATOM 1958 HA2 GLY 125 -5.162 -16.048 21.854 1.00 43.51 ATOM 1959 C GLY 125 -5.528 -16.816 23.796 1.00 63.10 ATOM 1960 O GLY 125 -6.169 -16.127 24.591 1.00 61.33 ATOM 1961 N LEU 126 -4.552 -17.635 24.173 1.00 42.22 ATOM 1962 HN LEU 126 -4.052 -18.144 23.493 1.00 36.71 ATOM 1963 HA LEU 126 -5.068 -17.858 26.167 1.00 2.44 ATOM 1964 CB LEU 126 -3.328 -19.038 25.769 1.00 52.20 ATOM 1965 HB1 LEU 126 -2.979 -19.064 26.796 1.00 36.71 ATOM 1966 HB2 LEU 126 -2.464 -18.960 25.121 1.00 72.30 ATOM 1967 CG LEU 126 -4.030 -20.363 25.471 1.00 22.43 ATOM 1968 HG LEU 126 -4.418 -20.338 24.463 1.00 20.43 ATOM 1969 CD1 LEU 126 -3.048 -21.521 25.568 1.00 2.41 ATOM 1970 HD11 LEU 126 -2.681 -21.605 26.582 1.00 43.31 ATOM 1971 HD12 LEU 126 -2.217 -21.349 24.904 1.00 54.33 ATOM 1972 HD13 LEU 126 -3.543 -22.440 25.289 1.00 42.12 ATOM 1973 CD2 LEU 126 -5.199 -20.573 26.422 1.00 73.10 ATOM 1974 HD21 LEU 126 -4.847 -20.556 27.444 1.00 11.41 ATOM 1975 HD22 LEU 126 -5.664 -21.529 26.220 1.00 11.41 ATOM 1976 HD23 LEU 126 -5.929 -19.791 26.280 1.00 63.33 ATOM 1977 CA LEU 126 -4.168 -17.775 25.573 1.00 15.44 ATOM 1978 C LEU 126 -3.389 -16.553 26.049 1.00 0.12 ATOM 1979 OT1 LEU 126 -3.813 -15.933 27.048 1.00 36.71 ATOM 1980 OT2 LEU 126 -2.366 -16.215 25.413 1.00 36.71 ATOM 1981 OH2 TIP3 1 -2.139 -37.601 -1.777 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -1.939 -37.177 -2.612 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -1.483 -37.258 -1.170 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -6.474 -39.133 8.648 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -5.854 -39.810 8.375 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -6.682 -39.351 9.556 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -3.073 -42.398 10.784 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -4.015 -42.340 10.945 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -2.797 -41.492 10.647 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -1.976 -44.150 14.395 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -1.836 -44.741 13.656 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -1.808 -43.277 14.039 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -5.776 -42.076 11.369 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.017 -41.414 12.017 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -5.974 -42.910 11.794 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -11.205 -43.180 15.352 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -11.517 -42.398 15.808 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -11.855 -43.333 14.666 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -12.966 -41.108 16.116 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -12.958 -41.244 15.168 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -13.882 -41.226 16.368 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 0.579 -41.469 15.972 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 0.530 -42.424 15.935 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -0.247 -41.201 16.374 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -8.442 -41.895 14.848 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -8.355 -41.069 15.323 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -9.306 -42.225 15.097 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -7.821 -44.935 14.761 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -8.167 -45.316 15.567 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -8.021 -44.001 14.832 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -5.571 -42.473 14.711 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -6.472 -42.290 14.443 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -5.537 -42.214 15.632 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -9.899 -40.494 12.589 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -9.536 -39.639 12.356 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -9.367 -40.786 13.330 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -6.355 -44.395 12.290 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.781 -44.622 13.116 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -5.774 -45.133 12.107 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -2.426 -39.589 10.726 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -2.582 -38.911 10.069 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -1.494 -39.517 10.929 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -12.115 -39.999 18.574 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -11.347 -40.458 18.915 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -12.136 -40.225 17.644 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -5.538 -41.619 17.303 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -5.889 -42.475 17.546 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -4.812 -41.476 17.910 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -4.415 -45.222 14.724 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -3.670 -44.634 14.604 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -5.172 -44.640 14.787 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 0.290 -38.939 10.955 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 0.268 -38.754 11.894 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 0.980 -38.370 10.614 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -0.147 -39.372 13.877 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -0.634 -40.107 13.506 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 0.402 -39.765 14.555 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -1.696 -43.582 18.515 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -2.562 -43.687 18.909 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -1.320 -42.823 18.962 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -1.755 -41.609 13.108 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -2.403 -41.284 13.733 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -2.273 -42.049 12.433 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -12.633 -40.945 13.329 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -13.058 -40.136 13.046 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -11.728 -40.860 13.027 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -12.764 -38.089 12.406 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -13.629 -38.017 12.810 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -12.819 -37.542 11.622 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -8.053 -38.201 11.582 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -8.510 -37.672 10.928 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -7.890 -37.598 12.307 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -11.138 -39.886 9.790 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -10.925 -40.774 9.503 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -11.073 -39.920 10.745 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -1.774 -40.318 16.685 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -2.556 -40.504 16.165 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -1.846 -39.389 16.902 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.224 -46.432 25.571 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.135 -45.488 25.439 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -6.863 -46.707 24.913 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -6.474 -39.133 27.504 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -5.854 -39.810 27.231 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -6.682 -39.351 28.412 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.427 -43.831 24.614 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -6.723 -44.153 23.763 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.751 -42.931 24.656 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.976 -44.150 33.251 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -1.836 -44.741 32.512 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.808 -43.277 32.895 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -0.134 -47.810 31.317 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -0.786 -47.115 31.406 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 0.331 -47.600 30.507 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -4.097 -46.978 23.975 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -4.829 -46.750 24.548 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -3.650 -47.692 24.430 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.776 -42.076 30.225 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.017 -41.414 30.873 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.974 -42.910 30.650 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -7.500 -41.079 25.095 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -7.026 -40.784 25.873 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -8.063 -40.341 24.862 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -0.338 -41.700 19.850 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -0.265 -40.761 20.020 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 0.567 -42.005 19.793 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -8.442 -41.895 33.704 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -8.355 -41.069 34.179 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -9.306 -42.225 33.953 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -8.028 -38.123 23.510 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -8.103 -38.244 22.564 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.995 -37.173 23.629 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -2.191 -45.986 31.166 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -1.549 -45.529 30.623 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -3.021 -45.873 30.704 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -7.821 -44.935 33.617 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -8.167 -45.316 34.423 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -8.021 -44.001 33.688 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 0.124 -44.428 34.771 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -0.728 -44.190 34.404 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 0.714 -44.445 34.018 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.384 -46.634 29.421 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -5.312 -46.866 29.394 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.933 -47.411 29.091 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -9.899 -40.494 31.445 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -9.536 -39.639 31.212 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -9.367 -40.786 32.186 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -6.355 -44.395 31.146 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.781 -44.622 31.972 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -5.774 -45.133 30.963 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -4.152 -43.466 20.220 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -3.799 -43.846 21.024 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -5.101 -43.559 20.306 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.286 -44.793 22.446 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.563 -45.521 23.002 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -2.359 -44.674 22.652 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -10.061 -42.354 18.667 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -9.822 -43.102 18.119 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -10.330 -42.742 19.499 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -8.386 -41.086 21.872 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -9.203 -40.589 21.925 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -7.857 -40.611 21.232 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -11.048 -40.043 21.854 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -10.887 -39.243 21.353 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -11.245 -39.736 22.739 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -3.513 -48.845 27.960 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.310 -49.260 27.631 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.068 -49.536 28.451 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -8.023 -40.491 18.805 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -8.667 -41.122 19.127 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -7.261 -41.022 18.573 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -3.419 -40.674 19.039 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -3.136 -41.468 19.492 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.679 -40.441 18.478 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -7.112 -43.717 18.632 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.380 -43.537 19.533 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -7.318 -44.643 18.501 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -4.415 -45.222 33.580 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.670 -44.634 33.460 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -5.172 -44.640 33.643 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -7.006 -46.428 36.836 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.053 -46.344 36.808 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -7.166 -47.139 37.455 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.960 -47.131 35.479 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.241 -46.422 34.901 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.017 -47.204 35.328 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -10.346 -37.858 20.466 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -9.413 -37.700 20.610 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -10.610 -37.183 19.841 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -1.696 -43.582 37.371 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -2.562 -43.687 37.765 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -1.320 -42.823 37.818 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -0.395 -45.325 22.885 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 0.455 -44.904 23.013 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -0.390 -46.065 23.493 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -0.001 -47.272 24.709 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -0.727 -47.751 25.107 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 0.580 -47.066 25.441 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -0.242 -44.487 29.657 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 0.592 -44.865 29.376 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -0.130 -43.544 29.538 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 0.267 -47.371 21.100 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -0.254 -47.014 20.381 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 0.234 -46.696 21.778 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -2.214 -48.751 25.272 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -2.364 -49.696 25.252 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.568 -48.470 26.116 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -1.358 -46.781 34.911 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -0.775 -47.515 35.102 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.794 -46.009 34.957 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 0.139 -48.878 35.595 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -0.724 -49.257 35.430 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 0.743 -49.617 35.521 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -8.322 -39.546 35.144 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -8.137 -39.880 36.022 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.475 -39.237 34.822 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -8.053 -38.201 30.438 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -8.510 -37.672 29.784 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -7.890 -37.598 31.163 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -5.726 -39.323 31.383 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -6.630 -39.158 31.117 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.297 -38.470 31.317 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -7.701 -38.632 20.711 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -6.835 -38.266 20.533 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -7.948 -39.072 19.898 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.427 -43.831 43.470 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -6.723 -44.153 42.619 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -6.751 -42.931 43.512 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -3.662 -42.716 43.630 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -3.919 -43.406 43.018 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -3.591 -43.159 44.475 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -7.500 -41.079 43.951 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -7.026 -40.784 44.729 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -8.063 -40.341 43.718 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -0.338 -41.700 38.706 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.265 -40.761 38.876 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 0.567 -42.005 38.649 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -8.028 -38.123 42.366 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -8.103 -38.244 41.420 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -7.995 -37.173 42.485 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -5.257 -39.043 42.118 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -6.192 -38.943 42.297 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -4.977 -39.752 42.696 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -3.749 -46.783 38.146 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -3.707 -47.006 37.216 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -2.900 -46.385 38.336 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.215 -43.660 40.261 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -7.510 -42.834 40.643 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -7.918 -44.280 40.457 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.544 -41.442 41.255 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.917 -42.268 41.565 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.267 -41.625 40.358 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -4.152 -43.466 39.076 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -3.799 -43.846 39.880 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -5.101 -43.559 39.162 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -3.286 -44.793 41.302 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -3.563 -45.521 41.858 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -2.359 -44.674 41.508 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -10.061 -42.354 37.523 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -9.822 -43.102 36.975 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -10.330 -42.742 38.355 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -8.386 -41.086 40.728 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -9.203 -40.589 40.781 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -7.857 -40.611 40.088 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -11.048 -40.043 40.710 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -10.887 -39.243 40.209 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -11.245 -39.736 41.595 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -8.023 -40.491 37.661 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -8.667 -41.122 37.983 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -7.261 -41.022 37.429 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -7.112 -43.717 37.488 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -7.380 -43.537 38.389 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -7.318 -44.643 37.357 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -0.854 -46.194 37.766 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -1.127 -46.619 36.953 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -0.814 -45.263 37.549 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -10.346 -37.858 39.322 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -9.413 -37.700 39.466 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -10.610 -37.183 38.697 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 0.267 -47.371 39.956 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -0.254 -47.014 39.237 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 0.234 -46.696 40.634 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -2.972 -38.849 44.239 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -2.319 -39.196 43.631 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -2.461 -38.360 44.885 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -7.701 -38.632 39.567 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -6.835 -38.266 39.389 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -7.948 -39.072 38.754 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -0.992 -39.069 42.247 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -1.186 -39.817 41.682 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -1.031 -38.311 41.663 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -6.224 -27.576 -12.141 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -6.135 -26.632 -12.273 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.863 -27.851 -12.799 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -7.291 -28.321 -8.722 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -7.329 -28.967 -8.017 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -7.614 -28.787 -9.493 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -3.585 -25.382 -10.420 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -4.026 -26.102 -9.970 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -3.598 -24.661 -9.790 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -0.239 -34.287 -7.455 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -0.190 -33.677 -6.719 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 0.187 -33.826 -8.178 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -5.761 -31.494 -7.988 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -5.618 -32.441 -7.968 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -5.867 -31.287 -8.917 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -3.120 -33.971 -10.334 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -3.335 -34.737 -9.802 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -2.464 -33.499 -9.821 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -3.073 -23.542 -8.072 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -4.015 -23.484 -7.911 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -2.797 -22.636 -8.209 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -2.773 -35.256 -6.655 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -3.509 -34.645 -6.693 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -2.089 -34.841 -7.181 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -4.821 -21.761 -11.447 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -4.396 -22.468 -11.932 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -4.504 -20.960 -11.864 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -3.662 -23.860 -12.938 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -3.919 -24.550 -13.550 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -3.591 -24.303 -12.093 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -1.976 -25.294 -4.461 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -1.836 -25.885 -5.200 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -1.808 -24.421 -4.817 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -4.097 -28.122 -13.737 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -4.829 -27.894 -13.164 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -3.650 -28.836 -13.282 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -4.200 -29.948 -4.669 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -4.120 -29.185 -4.097 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -4.801 -29.669 -5.360 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -5.776 -23.220 -7.487 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.017 -22.558 -6.839 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -5.974 -24.054 -7.062 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 0.579 -22.613 -2.884 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 0.530 -23.568 -2.921 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -0.247 -22.345 -2.482 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -2.269 -31.120 -2.404 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -2.676 -30.639 -3.124 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -2.228 -32.025 -2.711 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -4.512 -32.788 -4.183 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -5.026 -32.914 -3.386 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -4.667 -31.876 -4.428 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.873 -31.217 -10.773 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -6.068 -30.612 -11.488 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.691 -32.051 -11.208 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -6.609 -29.579 -6.102 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -6.285 -30.210 -6.745 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -7.049 -30.114 -5.441 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -5.571 -23.617 -4.145 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -6.472 -23.434 -4.413 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -5.537 -23.358 -3.224 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 0.124 -25.572 -2.941 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -0.728 -25.334 -3.308 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 0.714 -25.589 -3.694 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -4.384 -27.778 -8.291 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.312 -28.010 -8.318 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -3.933 -28.555 -8.621 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -6.355 -25.539 -6.566 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -6.781 -25.766 -5.740 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -5.774 -26.277 -6.749 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.696 -20.987 -4.097 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -4.298 -21.542 -4.592 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -3.415 -20.320 -4.723 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -2.115 -33.740 -3.848 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -3.031 -33.477 -3.936 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -1.779 -33.743 -4.745 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -3.513 -29.989 -9.752 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -4.310 -30.404 -10.081 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -3.068 -30.680 -9.261 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -2.426 -20.733 -8.130 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -2.582 -20.055 -8.787 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -1.494 -20.661 -7.927 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -4.415 -26.366 -4.132 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -3.670 -25.778 -4.252 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.172 -25.784 -4.069 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -3.960 -28.275 -2.233 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -4.241 -27.566 -2.811 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -3.017 -28.348 -2.384 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 0.290 -20.083 -7.901 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 0.268 -19.898 -6.962 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 0.980 -19.514 -8.242 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -0.147 -20.516 -4.979 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -0.634 -21.251 -5.350 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 0.402 -20.909 -4.301 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -1.696 -24.726 -0.341 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -2.562 -24.831 0.053 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -1.320 -23.967 0.106 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -0.395 -26.469 -14.827 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 0.455 -26.048 -14.699 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -0.390 -27.209 -14.219 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -0.001 -28.416 -13.003 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -0.727 -28.895 -12.605 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 0.580 -28.210 -12.271 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -1.755 -22.753 -5.748 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -2.403 -22.428 -5.123 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -2.273 -23.193 -6.423 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -2.214 -29.895 -12.440 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -2.364 -30.840 -12.460 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -2.568 -29.614 -11.596 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -1.358 -27.925 -2.801 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -0.775 -28.659 -2.610 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -0.794 -27.153 -2.755 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -1.892 -31.731 -8.542 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -0.959 -31.519 -8.576 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -2.127 -31.629 -7.619 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -1.863 -30.994 -5.766 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -2.706 -30.726 -5.400 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -1.420 -30.172 -5.977 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 0.420 -37.014 -0.412 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 0.770 -37.668 -1.018 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 0.567 -36.177 -0.852 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -1.059 -36.815 -4.244 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -1.872 -36.490 -4.632 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -0.826 -37.575 -4.777 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -1.774 -21.462 -2.171 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -2.556 -21.648 -2.691 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -1.846 -20.533 -1.954 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -3.585 -25.382 8.436 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -4.026 -26.102 8.886 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -3.598 -24.661 9.066 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -6.474 -20.277 8.648 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -5.854 -20.954 8.375 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -6.682 -20.495 9.556 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -8.902 -25.888 10.540 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -8.598 -26.574 9.946 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -8.180 -25.770 11.158 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -0.239 -34.287 11.401 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -0.190 -33.677 12.137 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 0.187 -33.826 10.678 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -5.761 -31.494 10.868 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -5.618 -32.441 10.888 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -5.867 -31.287 9.939 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -13.796 -34.475 12.214 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -14.015 -33.945 11.448 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -14.464 -34.248 12.862 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -3.120 -33.971 8.522 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -3.335 -34.737 9.054 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -2.464 -33.499 9.035 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.819 -24.835 13.289 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.825 -23.956 12.911 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -13.673 -24.918 13.714 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -3.073 -23.542 10.784 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -4.015 -23.484 10.945 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -2.797 -22.636 10.647 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -2.773 -35.256 12.201 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -3.509 -34.645 12.163 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -2.089 -34.841 11.675 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -9.770 -37.169 9.667 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -9.887 -38.118 9.613 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -10.625 -36.837 9.940 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -4.821 -21.761 7.409 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -4.396 -22.468 6.924 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -4.504 -20.960 6.992 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -3.662 -23.860 5.918 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -3.919 -24.550 5.306 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -3.591 -24.303 6.763 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -0.134 -28.954 12.461 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -0.786 -28.259 12.550 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 0.331 -28.744 11.651 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -4.097 -28.122 5.119 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -4.829 -27.894 5.692 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -3.650 -28.836 5.574 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -4.200 -29.948 14.187 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -4.120 -29.185 14.759 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -4.801 -29.669 13.496 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -11.085 -24.064 9.683 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -11.180 -24.642 8.926 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -10.356 -24.435 10.179 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -5.776 -23.220 11.369 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -6.017 -22.558 12.017 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -5.974 -24.054 11.794 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -11.205 -24.324 15.352 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -11.517 -23.542 15.808 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -11.855 -24.477 14.666 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -12.966 -22.252 16.116 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -12.958 -22.388 15.168 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -13.882 -22.370 16.368 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -0.338 -22.844 0.994 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -0.265 -21.905 1.164 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 0.567 -23.149 0.937 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -12.501 -36.266 10.445 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -13.362 -36.353 10.037 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -12.523 -35.410 10.872 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -3.749 -27.927 0.434 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -3.707 -28.150 -0.496 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -2.900 -27.529 0.624 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -7.775 -30.488 16.757 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -8.338 -31.192 17.077 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -6.949 -30.608 17.224 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -6.609 -29.579 12.754 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -6.285 -30.210 12.111 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.049 -30.114 13.415 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -5.426 -34.417 10.802 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -6.103 -34.286 11.466 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -5.912 -34.572 9.992 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -9.885 -32.476 11.839 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -10.720 -32.022 11.949 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -9.361 -32.200 12.591 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -2.191 -27.130 12.310 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -1.549 -26.673 11.767 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -3.021 -27.017 11.848 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -7.821 -26.079 14.761 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -8.167 -26.460 15.567 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -8.021 -25.145 14.832 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -10.191 -28.990 16.821 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -10.487 -29.156 15.926 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.260 -29.210 16.811 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 0.160 -31.372 3.078 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -0.394 -31.768 2.406 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 0.261 -30.462 2.801 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -1.544 -22.586 3.543 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -1.917 -23.412 3.853 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -1.267 -22.769 2.646 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -4.384 -27.778 10.565 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -5.312 -28.010 10.538 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -3.933 -28.555 10.235 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.899 -21.638 12.589 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.536 -20.783 12.356 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.367 -21.930 13.330 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -6.355 -25.539 12.290 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -6.781 -25.766 13.116 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.774 -26.277 12.107 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 0.352 -20.130 1.565 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 1.095 -19.544 1.425 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -0.343 -19.562 1.898 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -3.286 -25.937 3.590 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -3.563 -26.665 4.146 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -2.359 -25.818 3.796 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.319 -31.647 14.173 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -8.200 -31.073 14.930 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -7.664 -32.335 14.288 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -3.513 -29.989 9.104 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -4.310 -30.404 8.775 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -3.068 -30.680 9.595 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -2.426 -20.733 10.726 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -2.582 -20.055 10.069 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -1.494 -20.661 10.929 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -12.115 -21.143 18.574 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.347 -21.602 18.915 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -12.136 -21.369 17.644 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -10.150 -26.282 17.341 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -10.478 -26.011 16.483 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.998 -27.223 17.253 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -4.415 -26.366 14.724 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -3.670 -25.778 14.604 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -5.172 -25.784 14.787 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -7.006 -27.572 17.980 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -6.053 -27.488 17.952 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -7.166 -28.283 18.599 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -0.854 -27.338 0.054 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -1.127 -27.763 -0.759 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -0.814 -26.407 -0.163 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -11.686 -32.688 15.785 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.536 -33.417 15.182 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -11.684 -31.911 15.226 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -11.274 -34.318 13.277 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -10.738 -33.867 12.625 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -12.126 -34.426 12.855 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -10.468 -36.862 13.709 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -10.566 -35.915 13.603 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -11.211 -37.234 13.233 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -9.204 -32.540 17.272 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -9.440 -32.760 18.174 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -9.987 -32.747 16.763 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -9.893 -35.885 18.434 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.024 -36.361 17.613 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -10.492 -35.141 18.378 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -0.242 -25.631 10.801 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 0.592 -26.009 10.520 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -0.130 -24.688 10.682 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -1.755 -22.753 13.108 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -2.403 -22.428 13.733 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -2.273 -23.193 12.433 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -1.384 -31.275 0.795 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -1.287 -30.608 0.115 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -1.524 -32.091 0.313 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -2.214 -29.895 6.416 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -2.364 -30.840 6.396 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -2.568 -29.614 7.260 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -2.136 -33.867 -0.088 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -1.526 -34.239 0.549 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -2.973 -34.289 0.108 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -2.504 -32.312 4.878 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -2.224 -33.219 5.003 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -1.745 -31.878 4.489 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -1.892 -31.731 10.314 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -0.959 -31.519 10.280 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -2.127 -31.629 11.237 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -0.024 -34.982 1.455 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 0.389 -35.703 0.979 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 0.658 -34.312 1.513 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -12.633 -22.089 13.329 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -13.058 -21.280 13.046 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -11.728 -22.004 13.027 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -1.059 -36.815 14.612 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -1.872 -36.490 14.224 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -0.826 -37.575 14.079 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -12.764 -19.233 12.406 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -13.629 -19.161 12.810 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -12.819 -18.686 11.622 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -8.053 -19.345 11.582 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -8.510 -18.816 10.928 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -7.890 -18.742 12.307 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -3.121 -18.897 12.822 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -3.303 -17.981 12.611 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -2.945 -19.307 11.975 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -11.138 -21.030 9.790 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -10.925 -21.918 9.503 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -11.073 -21.064 10.745 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -7.629 -35.366 8.935 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -8.304 -35.995 9.190 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -7.065 -35.850 8.332 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -2.487 -37.259 9.047 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -1.883 -36.711 8.546 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -3.356 -36.939 8.807 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -5.166 -36.775 8.219 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -5.090 -36.680 7.270 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.442 -37.683 8.348 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -0.992 -20.213 4.535 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -1.186 -20.961 3.970 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -1.031 -19.455 3.951 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -13.372 -36.867 17.810 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -12.473 -37.141 17.625 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -13.758 -37.610 18.274 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -8.902 -25.888 29.396 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -8.598 -26.574 28.802 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.180 -25.770 30.014 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -12.606 -33.393 26.996 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -12.563 -32.533 26.578 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -13.064 -33.945 26.363 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.830 -29.446 26.974 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -10.214 -29.972 27.483 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -11.416 -30.086 26.570 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -11.227 -26.799 31.358 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -11.967 -26.201 31.461 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -10.513 -26.245 31.042 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -12.452 -27.492 25.858 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -12.782 -27.862 25.039 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -11.864 -28.162 26.204 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -11.085 -24.064 28.539 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -11.180 -24.642 27.782 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -10.356 -24.435 29.035 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -12.085 -28.723 29.491 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -11.520 -28.602 28.728 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -11.766 -28.086 30.130 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -11.205 -24.324 34.208 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -11.517 -23.542 34.664 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -11.855 -24.477 33.522 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -13.462 -28.422 23.447 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -13.754 -27.654 22.956 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -14.136 -29.082 23.284 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -8.442 -23.039 33.704 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -8.355 -22.213 34.179 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -9.306 -23.369 33.953 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -14.374 -20.478 25.291 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -14.222 -20.826 26.170 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -15.225 -20.834 25.036 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -7.838 -36.544 32.675 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -7.418 -36.959 33.428 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -8.771 -36.722 32.792 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -12.410 -31.300 30.396 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -13.052 -31.341 31.105 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -12.373 -30.374 30.158 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -12.413 -31.079 25.308 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -13.306 -31.420 25.249 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -11.962 -31.456 24.552 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -11.294 -33.606 19.061 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -11.725 -34.051 19.791 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -12.012 -33.234 18.549 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -9.831 -33.652 26.394 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -10.742 -33.595 26.683 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -9.326 -33.712 27.205 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -11.350 -32.023 22.877 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -10.418 -31.894 23.055 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.565 -31.353 22.228 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -12.676 -30.828 20.444 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -13.218 -31.208 19.753 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -11.842 -30.634 20.015 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -8.511 -30.864 28.281 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -7.947 -31.411 27.734 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -8.659 -31.386 29.070 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -9.885 -32.476 30.695 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -10.720 -32.022 30.805 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -9.361 -32.200 31.447 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -9.341 -26.263 22.380 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -10.085 -26.770 22.057 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -9.475 -26.214 23.326 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -10.191 -28.990 35.677 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -10.487 -29.156 34.782 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -9.260 -29.210 35.667 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.841 -23.450 25.554 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.314 -22.677 25.353 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -12.721 -23.225 25.252 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -10.414 -25.787 25.130 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -10.655 -24.862 25.172 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -11.154 -26.246 25.526 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -9.899 -21.638 31.445 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -9.536 -20.783 31.212 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -9.367 -21.930 32.186 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -11.730 -20.765 24.675 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -12.680 -20.660 24.727 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -11.379 -19.945 25.020 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -10.061 -23.498 18.667 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -9.822 -24.246 18.119 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -10.330 -23.886 19.499 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -11.124 -23.928 21.123 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -10.977 -24.448 21.913 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -11.127 -23.021 21.429 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -7.971 -35.552 24.782 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -8.318 -34.934 25.427 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -7.313 -35.051 24.301 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.048 -21.187 21.854 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.887 -20.387 21.353 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -11.245 -20.880 22.739 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -12.314 -34.489 21.470 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -12.397 -33.600 21.816 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -11.424 -34.754 21.701 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -5.538 -22.763 36.159 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -5.889 -23.619 36.402 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -4.812 -22.620 36.766 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -10.150 -26.282 36.197 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -10.478 -26.011 35.339 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -9.998 -27.223 36.109 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -11.315 -27.936 21.202 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -11.774 -28.420 21.888 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -11.060 -28.604 20.566 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -12.026 -30.043 33.558 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -12.644 -29.368 33.839 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -11.682 -29.722 32.725 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -10.244 -29.693 19.465 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -10.424 -29.847 18.537 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -9.293 -29.585 19.509 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -7.006 -27.572 36.836 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -6.053 -27.488 36.808 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -7.166 -28.283 37.455 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -11.686 -32.688 34.641 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -11.536 -33.417 34.038 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -11.684 -31.911 34.082 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -11.274 -34.318 32.133 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -10.738 -33.867 31.481 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -12.126 -34.426 31.711 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -9.692 -28.879 32.373 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -8.941 -29.035 31.800 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -10.031 -28.027 32.097 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -10.468 -36.862 32.565 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -10.566 -35.915 32.459 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -11.211 -37.234 32.089 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -9.204 -32.540 36.128 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -9.440 -32.760 37.030 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -9.987 -32.747 35.619 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.854 -34.779 37.209 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -4.951 -35.731 37.203 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -5.176 -34.510 38.070 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -10.246 -37.568 35.236 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -9.534 -38.208 35.222 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.347 -37.301 34.322 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -9.893 -35.885 37.290 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -10.024 -36.361 36.469 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -10.492 -35.141 37.234 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -1.696 -24.726 37.371 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -2.562 -24.831 37.765 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -1.320 -23.967 37.818 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.322 -20.690 35.144 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -8.137 -21.024 36.022 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -7.475 -20.381 34.822 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -5.977 -19.405 34.388 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -5.300 -20.037 34.148 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -5.655 -19.003 35.196 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -8.053 -19.345 30.438 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -8.510 -18.816 29.784 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -7.890 -18.742 31.163 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -5.726 -20.467 31.383 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -6.630 -20.302 31.117 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -5.297 -19.614 31.317 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -3.121 -18.897 31.678 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.303 -17.981 31.467 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -2.945 -19.307 30.831 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -11.138 -21.030 28.646 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -10.925 -21.918 28.359 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -11.073 -21.064 29.601 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -7.629 -35.366 27.791 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -8.304 -35.995 28.046 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -7.065 -35.850 27.188 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -10.723 -36.805 25.426 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -9.849 -36.417 25.396 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -10.859 -37.020 26.349 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -9.579 -34.725 22.316 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -9.401 -35.371 22.999 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -9.633 -33.891 22.783 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -14.747 -20.066 19.339 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -15.015 -19.779 20.212 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -13.976 -20.612 19.491 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -7.449 -29.874 38.918 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -6.748 -29.852 39.569 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -7.147 -30.502 38.262 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -4.097 -28.122 42.831 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -4.829 -27.894 43.404 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -3.650 -28.836 43.286 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -5.226 -28.960 40.516 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -4.647 -28.810 41.263 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -4.812 -28.489 39.793 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -0.338 -22.844 38.706 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -0.265 -21.905 38.876 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 0.567 -23.149 38.649 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -4.926 -20.113 39.369 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -4.551 -20.857 38.898 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -4.922 -20.383 40.287 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -3.749 -27.927 38.146 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.707 -28.150 37.216 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -2.900 -27.529 38.336 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -8.176 -34.051 38.816 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -8.430 -34.032 39.739 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -8.433 -34.923 38.515 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -5.443 -33.449 39.435 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -6.381 -33.337 39.284 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -5.146 -32.592 39.741 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -4.725 -31.582 41.096 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -3.833 -31.719 41.415 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -4.668 -30.791 40.559 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -7.215 -24.804 40.261 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -7.510 -23.978 40.643 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -7.918 -25.424 40.457 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 0.160 -31.372 40.790 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -0.394 -31.768 40.118 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 0.261 -30.462 40.513 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -1.544 -22.586 41.255 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.917 -23.412 41.565 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -1.267 -22.769 40.358 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -4.152 -24.610 39.076 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -3.799 -24.990 39.880 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -5.101 -24.703 39.162 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 0.352 -20.130 39.277 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 1.095 -19.544 39.137 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -0.343 -19.562 39.610 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -3.286 -25.937 41.302 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -3.563 -26.665 41.858 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -2.359 -25.818 41.508 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -10.061 -23.498 37.523 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -9.822 -24.246 36.975 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -10.330 -23.886 38.355 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -6.055 -34.361 41.865 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -5.835 -33.889 41.062 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -5.497 -33.966 42.536 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -8.023 -21.635 37.661 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -8.667 -22.266 37.983 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -7.261 -22.166 37.429 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -3.419 -21.818 37.895 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -3.136 -22.612 38.348 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -2.679 -21.585 37.334 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -7.112 -24.861 37.488 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -7.380 -24.681 38.389 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -7.318 -25.787 37.357 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -10.244 -29.693 38.321 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -10.424 -29.847 37.393 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -9.293 -29.585 38.365 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -0.395 -26.469 41.741 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 0.455 -26.048 41.869 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -0.390 -27.209 42.349 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -0.001 -28.416 43.565 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -0.727 -28.895 43.963 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 0.580 -28.210 44.297 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -2.504 -32.312 42.590 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -2.224 -33.219 42.715 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -1.745 -31.878 42.201 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -1.890 -35.049 42.639 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -1.708 -35.498 43.464 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -2.490 -35.634 42.175 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -0.760 -36.120 45.093 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -0.148 -36.634 44.566 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -0.377 -35.242 45.116 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -3.813 -36.749 41.624 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -4.516 -36.135 41.414 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -4.258 -37.587 41.755 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.992 -20.213 42.247 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -1.186 -20.961 41.682 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -1.031 -19.455 41.663 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -0.239 -15.431 11.401 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -0.190 -14.821 12.137 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 0.187 -14.970 10.678 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -5.761 -12.638 10.868 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -5.618 -13.585 10.888 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -5.867 -12.431 9.939 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 0.153 -13.953 13.637 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -0.536 -13.295 13.542 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 0.168 -14.150 14.574 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -2.773 -16.400 12.201 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -3.509 -15.789 12.163 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -2.089 -15.985 11.675 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -9.770 -18.313 9.667 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -9.887 -19.262 9.613 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -10.625 -17.981 9.940 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -4.200 -11.092 14.187 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -4.120 -10.329 14.759 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -4.801 -10.813 13.496 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -2.269 -12.264 16.452 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.676 -11.783 15.732 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.228 -13.169 16.145 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -4.512 -13.932 14.673 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -5.026 -14.058 15.470 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -4.667 -13.020 14.428 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -7.775 -11.632 16.757 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -8.338 -12.336 17.077 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -6.949 -11.752 17.224 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -5.426 -15.561 10.802 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -6.103 -15.430 11.466 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -5.912 -15.716 9.992 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -9.885 -13.620 11.839 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -10.720 -13.166 11.949 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -9.361 -13.344 12.591 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -6.839 -15.157 13.056 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -6.141 -15.083 13.706 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -7.220 -16.021 13.211 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -8.319 -12.791 14.173 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -8.200 -12.217 14.930 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -7.664 -13.479 14.288 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -2.115 -14.884 15.008 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -3.031 -14.621 14.920 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.779 -14.887 14.111 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -11.686 -13.832 15.785 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -11.536 -14.561 15.182 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -11.684 -13.055 15.226 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -11.274 -15.462 13.277 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -10.738 -15.011 12.625 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -12.126 -15.570 12.855 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -5.276 -12.208 18.545 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -5.084 -13.139 18.434 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -4.419 -11.783 18.535 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -10.468 -18.006 13.709 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -10.566 -17.059 13.603 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -11.211 -18.378 13.233 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -9.204 -13.684 17.272 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -9.440 -13.904 18.174 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -9.987 -13.891 16.763 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -6.488 -14.557 16.348 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -7.436 -14.525 16.480 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -6.176 -15.182 17.002 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 0.139 -11.166 16.739 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -0.724 -11.545 16.574 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 0.743 -11.905 16.665 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -1.863 -12.138 13.090 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -2.706 -11.870 13.456 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -1.420 -11.316 12.879 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -1.059 -17.959 14.612 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -1.872 -17.634 14.224 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -0.826 -18.719 14.079 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -7.629 -16.510 8.935 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -8.304 -17.139 9.190 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -7.065 -16.994 8.332 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -2.487 -18.403 9.047 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -1.883 -17.855 8.546 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -3.356 -18.083 8.807 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -0.760 -17.264 7.381 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -0.148 -17.778 6.854 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.377 -16.386 7.404 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -5.166 -17.919 8.219 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -5.090 -17.824 7.270 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -5.442 -18.827 8.348 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -13.372 -18.011 17.810 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -12.473 -18.285 17.625 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -13.758 -18.754 18.274 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 -6.224 -8.720 25.571 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 -6.135 -7.776 25.439 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 -6.863 -8.995 24.913 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 -7.291 -9.465 28.990 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 -7.329 -10.111 29.695 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 -7.614 -9.931 28.219 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -0.239 -15.431 30.257 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -0.190 -14.821 30.993 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 0.187 -14.970 29.534 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 -5.761 -12.638 29.724 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 -5.618 -13.585 29.744 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 -5.867 -12.431 28.795 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -12.606 -14.537 26.996 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -12.563 -13.677 26.578 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -13.064 -15.089 26.363 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -10.830 -10.590 26.974 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -10.214 -11.116 27.483 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 -11.416 -11.230 26.570 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 0.153 -13.953 32.493 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 -0.536 -13.295 32.398 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 0.168 -14.150 33.430 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 -2.773 -16.400 31.057 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 -3.509 -15.789 31.019 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 -2.089 -15.985 30.531 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 -9.770 -18.313 28.523 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 -9.887 -19.262 28.469 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -10.625 -17.981 28.796 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -7.503 -9.476 23.023 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -8.215 -8.941 22.672 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -6.812 -9.420 22.363 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 -7.449 -11.018 20.062 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 -6.748 -10.996 20.713 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 -7.147 -11.646 19.406 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 -0.134 -10.098 31.317 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -0.786 -9.403 31.406 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 0.331 -9.888 30.507 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -4.097 -9.266 23.975 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -4.829 -9.038 24.548 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -3.650 -9.980 24.430 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -4.200 -11.092 33.043 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -4.120 -10.329 33.615 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -4.801 -10.813 32.352 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -5.226 -10.104 21.660 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -4.647 -9.954 22.407 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -4.812 -9.633 20.937 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -2.269 -12.264 35.308 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -2.676 -11.783 34.588 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -2.228 -13.169 35.001 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 -12.501 -17.410 29.301 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -13.362 -17.497 28.893 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -12.523 -16.554 29.728 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -7.838 -17.688 32.675 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -7.418 -18.103 33.428 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -8.771 -17.866 32.792 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 -4.512 -13.932 33.529 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 -5.026 -14.058 34.326 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 -4.667 -13.020 33.284 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 -12.413 -12.223 25.308 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 -13.306 -12.564 25.249 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 -11.962 -12.600 24.552 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -6.877 -11.807 24.125 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -7.286 -10.992 23.833 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 -6.157 -11.947 23.510 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 -5.873 -12.361 26.939 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 -6.068 -11.756 26.224 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 -5.691 -13.195 26.504 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 -11.294 -14.750 19.061 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 -11.725 -15.195 19.791 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 -12.012 -14.378 18.549 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 -6.609 -10.723 31.610 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 -6.285 -11.354 30.967 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 -7.049 -11.258 32.271 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -9.831 -14.796 26.394 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -10.742 -14.739 26.683 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -9.326 -14.856 27.205 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 -11.350 -13.167 22.877 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 -10.418 -13.038 23.055 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 -11.565 -12.497 22.228 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -8.511 -12.008 28.281 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -7.947 -12.555 27.734 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -8.659 -12.530 29.070 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -13.509 -15.872 24.699 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 -13.826 -16.774 24.664 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 -12.728 -15.870 24.147 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 -9.885 -13.620 30.695 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 -10.720 -13.166 30.805 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 -9.361 -13.344 31.447 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 -4.725 -12.726 22.240 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 -3.833 -12.863 22.559 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 -4.668 -11.935 21.703 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 0.160 -12.516 21.934 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 -0.394 -12.912 21.262 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 0.261 -11.606 21.657 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 -4.384 -8.922 29.421 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 -5.312 -9.154 29.394 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 -3.933 -9.699 29.091 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 -6.839 -15.157 31.912 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 -6.141 -15.083 32.562 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 -7.220 -16.021 32.067 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 -12.314 -15.633 21.470 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 -12.397 -14.744 21.816 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 -11.424 -15.898 21.701 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -2.115 -14.884 33.864 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -3.031 -14.621 33.776 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -1.779 -14.887 32.967 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 -3.513 -11.133 27.960 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 -4.310 -11.548 27.631 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 -3.068 -11.824 28.451 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -10.244 -10.837 19.465 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -10.424 -10.991 18.537 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -9.293 -10.729 19.509 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 -4.854 -15.923 37.209 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 -4.951 -16.875 37.203 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 -5.176 -15.654 38.070 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -0.001 -9.560 24.709 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -0.727 -10.039 25.107 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 0.580 -9.354 25.441 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 -1.384 -12.419 19.651 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 -1.287 -11.752 18.971 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 -1.524 -13.235 19.169 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 -2.214 -11.039 25.272 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -2.364 -11.984 25.252 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -2.568 -10.758 26.116 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 0.139 -11.166 35.595 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 -0.724 -11.545 35.430 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 0.743 -11.905 35.521 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 -1.892 -12.875 29.170 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.959 -12.663 29.136 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 -2.127 -12.773 30.093 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 -1.863 -12.138 31.946 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 -2.706 -11.870 32.312 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 -1.420 -11.316 31.735 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 -10.723 -17.949 25.426 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 -9.849 -17.561 25.396 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 -10.859 -18.164 26.349 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -14.605 -16.162 19.859 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -14.114 -16.792 19.331 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -13.982 -15.866 20.522 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 -4.950 -18.679 36.848 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 -4.874 -19.105 37.702 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -4.057 -18.665 36.506 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -1.528 -18.354 40.329 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 -2.427 -18.215 40.624 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 -1.276 -17.523 39.927 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 -2.136 -15.011 37.624 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 -1.526 -15.383 38.261 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 -2.973 -15.433 37.820 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 -0.024 -16.126 39.167 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 0.389 -16.847 38.691 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 0.658 -15.456 39.225 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 2.144 -38.918 -1.902 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 2.684 -39.135 -1.143 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 1.663 -39.724 -2.092 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 3.625 -37.689 -5.480 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 2.905 -37.249 -5.931 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 3.259 -37.940 -4.631 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 6.092 -38.089 -6.450 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 5.227 -38.017 -6.046 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 6.037 -37.542 -7.234 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.382 -39.133 8.648 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 13.002 -39.810 8.375 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 12.174 -39.351 9.556 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 15.783 -42.398 10.784 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 14.841 -42.340 10.945 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 16.059 -41.492 10.647 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 16.880 -44.150 14.395 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 17.020 -44.741 13.656 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 17.048 -43.277 14.039 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 13.080 -42.076 11.369 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 12.839 -41.414 12.017 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 12.882 -42.910 11.794 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 7.651 -43.180 15.352 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 7.339 -42.398 15.808 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 7.001 -43.333 14.666 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 5.890 -41.108 16.116 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 5.898 -41.244 15.168 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 4.974 -41.226 16.368 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 10.414 -41.895 14.848 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 10.501 -41.069 15.323 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 9.550 -42.225 15.097 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 10.828 -38.123 4.654 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 10.753 -38.244 3.708 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 10.861 -37.173 4.773 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 3.736 -43.592 14.449 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 3.953 -43.953 15.309 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 2.881 -43.966 14.239 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 11.081 -49.344 16.757 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 10.518 -50.048 17.077 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 11.907 -49.464 17.224 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 4.315 -45.127 16.687 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 5.048 -44.873 17.248 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 3.535 -44.923 17.202 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 11.035 -44.935 14.761 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 10.689 -45.316 15.567 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 10.835 -44.001 14.832 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 8.665 -47.846 16.821 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 8.369 -48.012 15.926 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.596 -48.066 16.811 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 13.285 -42.473 14.711 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.384 -42.290 14.443 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 13.319 -42.214 15.632 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 18.980 -44.428 15.915 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 18.128 -44.190 15.548 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 19.570 -44.445 15.162 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 8.957 -40.494 12.589 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 9.320 -39.639 12.356 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 9.489 -40.786 13.330 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 12.501 -44.395 12.290 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 12.075 -44.622 13.116 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 13.082 -45.133 12.107 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 2.933 -40.805 12.601 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 3.150 -41.737 12.570 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 3.180 -40.531 13.485 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 16.430 -39.589 10.726 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 16.274 -38.911 10.069 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 17.362 -39.517 10.929 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 8.706 -45.138 17.341 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 8.378 -44.867 16.483 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 8.858 -46.079 17.253 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 14.441 -45.222 14.724 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 15.186 -44.634 14.604 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 13.684 -44.640 14.787 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 11.850 -46.428 17.980 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 12.803 -46.344 17.952 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 11.690 -47.139 18.599 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 13.580 -49.920 18.545 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 13.772 -50.851 18.434 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 14.437 -49.495 18.535 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 14.896 -47.131 16.623 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 14.615 -46.422 16.045 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 15.839 -47.204 16.472 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 8.510 -37.858 1.610 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 9.443 -37.700 1.754 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 8.246 -37.183 0.985 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 19.146 -38.939 10.955 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 19.124 -38.754 11.894 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 19.836 -38.370 10.614 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 17.160 -43.582 18.515 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 16.294 -43.687 18.909 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 17.536 -42.823 18.962 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 17.101 -41.609 13.108 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 16.453 -41.284 13.733 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 16.583 -42.049 12.433 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 17.498 -46.781 16.055 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 18.081 -47.515 16.246 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 18.062 -46.009 16.101 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 15.884 -38.849 6.527 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 16.537 -39.196 5.919 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 16.395 -38.360 7.173 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 3.269 -41.920 17.070 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 2.448 -41.745 16.610 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 3.017 -41.993 17.991 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 6.223 -40.945 13.329 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 5.798 -40.136 13.046 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 7.128 -40.860 13.027 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 3.625 -37.689 13.376 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 2.905 -37.249 12.925 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 3.259 -37.940 14.225 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 6.092 -38.089 12.406 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 5.227 -38.017 12.810 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 6.037 -37.542 11.622 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 10.803 -38.201 11.582 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 10.346 -37.672 10.928 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 10.966 -37.598 12.307 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 3.040 -39.066 10.287 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 3.021 -39.491 11.144 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 3.845 -39.384 9.878 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 7.718 -39.886 9.790 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 7.931 -40.774 9.503 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 7.783 -39.920 10.745 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 11.155 -38.632 1.855 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 12.021 -38.266 1.677 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 10.908 -39.072 1.042 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 4.109 -38.922 0.483 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 3.841 -38.635 1.356 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 4.880 -39.468 0.635 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 12.632 -46.432 25.571 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 12.721 -45.488 25.439 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 11.993 -46.707 24.913 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 11.565 -47.177 28.990 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 11.527 -47.823 29.695 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 11.242 -47.643 28.219 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 3.933 -47.562 30.583 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 3.975 -48.188 31.307 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 4.636 -46.939 30.765 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 1.467 -49.452 24.511 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 1.019 -48.606 24.493 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 0.906 -50.032 23.996 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 2.177 -47.290 26.637 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 2.391 -48.060 27.164 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 2.915 -47.201 26.034 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 9.954 -44.744 29.396 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.258 -45.430 28.802 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 10.676 -44.626 30.014 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 13.095 -50.350 29.724 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 13.238 -51.297 29.744 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 12.989 -50.143 28.795 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 2.870 -49.852 27.758 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 3.524 -50.402 28.190 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 2.894 -50.126 26.842 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 8.026 -48.302 26.974 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 8.642 -48.828 27.483 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 7.440 -48.942 26.570 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 7.629 -45.655 31.358 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 6.889 -45.057 31.461 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 8.343 -45.101 31.042 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 2.158 -44.020 22.927 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 1.886 -43.791 22.038 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 2.203 -43.182 23.387 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 11.353 -47.188 23.023 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 10.641 -46.653 22.672 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 12.044 -47.132 22.363 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.407 -48.730 20.062 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.108 -48.708 20.713 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.709 -49.358 19.406 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 18.722 -47.810 31.317 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 18.070 -47.115 31.406 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 19.187 -47.600 30.507 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 14.759 -46.978 23.975 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 14.027 -46.750 24.548 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 15.206 -47.692 24.430 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.771 -47.579 29.491 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 7.336 -47.458 28.728 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 7.090 -46.942 30.130 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 13.630 -47.816 21.660 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 14.209 -47.666 22.407 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 14.044 -47.345 20.937 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 4.571 -46.982 33.437 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 4.641 -46.331 34.135 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 3.680 -46.879 33.102 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 1.487 -44.915 32.262 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 0.986 -44.943 31.447 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 1.493 -45.821 32.572 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 16.587 -49.976 35.308 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 16.180 -49.495 34.588 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 16.628 -50.881 35.001 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 14.344 -51.644 33.529 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 13.830 -51.770 34.326 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 14.189 -50.732 33.284 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 15.107 -46.783 19.290 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 15.149 -47.006 18.360 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 15.956 -46.385 19.480 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 6.446 -50.156 30.396 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 5.804 -50.197 31.105 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 6.483 -49.230 30.158 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 6.443 -49.935 25.308 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 5.550 -50.276 25.249 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 6.894 -50.312 24.552 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.979 -49.519 24.125 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.570 -48.704 23.833 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 12.699 -49.659 23.510 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 11.081 -49.344 35.613 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 10.518 -50.048 35.933 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 11.907 -49.464 36.080 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 12.983 -50.073 26.939 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 12.788 -49.468 26.224 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 13.165 -50.907 26.504 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 3.853 -50.879 25.221 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 2.964 -50.779 24.881 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 4.149 -51.721 24.875 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 7.506 -50.879 22.877 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 8.438 -50.750 23.055 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 7.291 -50.209 22.228 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 6.180 -49.684 20.444 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 5.638 -50.064 19.753 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 7.014 -49.490 20.015 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 10.345 -49.720 28.281 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 10.909 -50.267 27.734 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.197 -50.242 29.070 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 8.971 -51.332 30.695 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 8.136 -50.878 30.805 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 9.495 -51.056 31.447 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 14.131 -50.438 22.240 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 15.023 -50.575 22.559 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 14.188 -49.647 21.703 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 1.648 -47.363 33.464 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 1.871 -47.781 34.296 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 1.046 -47.976 33.042 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 8.665 -47.846 35.677 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 8.369 -48.012 34.782 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 9.596 -48.066 35.667 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 2.770 -47.444 20.141 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 3.386 -46.817 20.520 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 1.908 -47.128 20.412 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 4.185 -45.531 21.633 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 3.499 -45.179 22.200 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 4.708 -44.768 21.387 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 12.017 -52.869 31.912 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 12.715 -52.795 32.562 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 11.636 -53.733 32.067 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 10.537 -50.503 33.029 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 10.656 -49.929 33.786 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 11.192 -51.191 33.144 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 16.741 -52.596 33.864 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 15.825 -52.333 33.776 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 17.077 -52.599 32.967 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 15.343 -48.845 27.960 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 14.546 -49.260 27.631 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 15.788 -49.536 28.451 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 4.801 -42.917 20.530 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 5.393 -42.218 20.806 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 5.260 -43.350 19.811 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 6.392 -44.764 18.896 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.456 -45.558 19.427 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 7.045 -44.883 18.207 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 2.883 -47.908 36.184 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 3.291 -48.765 36.063 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 2.623 -47.893 37.105 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 7.541 -46.792 21.202 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 7.082 -47.276 21.888 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 7.796 -47.460 20.566 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.830 -48.899 33.558 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.212 -48.224 33.839 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 7.174 -48.578 32.725 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 8.612 -48.549 19.465 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 8.432 -48.703 18.537 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 9.563 -48.441 19.509 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 11.850 -46.428 36.836 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 12.803 -46.344 36.808 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 11.690 -47.139 37.455 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 18.002 -46.194 18.910 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 17.729 -46.619 18.097 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 18.042 -45.263 18.693 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 9.164 -47.735 32.373 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 9.915 -47.891 31.800 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 8.825 -46.883 32.097 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 13.580 -49.920 37.401 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 13.772 -50.851 37.290 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 14.437 -49.495 37.391 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.648 -50.346 36.552 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 4.881 -50.878 36.342 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 6.327 -50.656 35.953 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 9.652 -51.396 36.128 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 9.416 -51.616 37.030 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 8.869 -51.603 35.619 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 12.368 -52.269 35.204 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 11.420 -52.237 35.336 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 12.680 -52.894 35.858 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 2.078 -43.222 19.949 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 2.992 -43.143 20.222 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 2.085 -43.909 19.282 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 18.855 -47.272 24.709 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 18.129 -47.751 25.107 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 19.436 -47.066 25.441 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 19.123 -47.371 21.100 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 18.602 -47.014 20.381 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 19.090 -46.696 21.778 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 16.642 -48.751 25.272 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 16.492 -49.696 25.252 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 16.288 -48.470 26.116 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 1.677 -46.673 29.282 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 1.861 -46.755 28.347 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 2.526 -46.797 29.706 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 18.995 -48.878 35.595 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 18.132 -49.257 35.430 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 19.599 -49.617 35.521 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 16.964 -50.587 29.170 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 17.897 -50.375 29.136 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 16.729 -50.485 30.093 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 16.993 -49.850 31.946 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 16.150 -49.582 32.312 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 17.436 -49.028 31.735 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 12.632 -46.432 44.427 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 12.721 -45.488 44.295 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 11.993 -46.707 43.769 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 15.271 -44.238 46.148 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 14.830 -44.958 46.598 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 15.258 -43.517 46.778 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 9.954 -44.744 48.252 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 10.258 -45.430 47.658 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 10.676 -44.626 48.870 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 12.429 -43.831 43.470 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 12.133 -44.153 42.619 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 12.105 -42.931 43.512 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 2.158 -44.020 41.783 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 1.886 -43.791 40.894 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 2.203 -43.182 42.243 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 15.783 -42.398 48.496 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 14.841 -42.340 48.657 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 16.059 -41.492 48.359 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 11.353 -47.188 41.879 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 10.641 -46.653 41.528 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 12.044 -47.132 41.219 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 11.407 -48.730 38.918 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 12.108 -48.708 39.569 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 11.709 -49.358 38.262 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 14.759 -46.978 42.831 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 14.027 -46.750 43.404 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 15.206 -47.692 43.286 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 13.080 -42.076 49.081 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 12.839 -41.414 49.729 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 12.882 -42.910 49.506 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 13.630 -47.816 40.516 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.209 -47.666 41.263 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 14.044 -47.345 39.793 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 5.394 -47.278 42.303 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 5.102 -46.510 41.812 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 4.720 -47.938 42.140 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 4.482 -39.334 44.147 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 4.634 -39.682 45.026 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 3.631 -39.690 43.892 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 6.180 -49.684 39.300 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 5.638 -50.064 38.609 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 7.014 -49.490 38.871 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 9.515 -45.119 41.236 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 8.771 -45.626 40.913 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 9.381 -45.070 42.182 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.131 -50.438 41.096 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 15.023 -50.575 41.415 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.188 -49.647 40.559 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 19.016 -50.228 40.790 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 18.462 -50.624 40.118 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 19.117 -49.318 40.513 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 14.472 -46.634 48.277 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 13.544 -46.866 48.250 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 14.923 -47.411 47.947 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.015 -42.306 44.410 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 7.542 -41.533 44.209 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.135 -42.081 44.108 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 2.770 -47.444 38.997 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 3.386 -46.817 39.376 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 1.908 -47.128 39.268 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 8.442 -44.643 43.986 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 8.201 -43.718 44.028 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 7.702 -45.102 44.382 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 7.126 -39.621 43.531 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 6.176 -39.516 43.583 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 7.477 -38.801 43.876 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 12.501 -44.395 50.002 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 12.075 -44.622 50.828 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 13.082 -45.133 49.819 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 15.160 -39.843 52.471 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 14.558 -40.398 51.976 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 15.441 -39.176 51.845 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 4.185 -45.531 40.489 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 3.499 -45.179 41.056 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 4.708 -44.768 40.243 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 2.855 -41.531 43.336 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 2.023 -41.058 43.363 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 3.401 -41.021 42.737 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 7.541 -46.792 40.058 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 7.082 -47.276 40.744 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 7.796 -47.460 39.422 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 8.612 -48.549 38.321 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 8.432 -48.703 37.393 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 9.563 -48.441 38.365 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 0.727 -37.829 43.882 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 0.080 -38.291 43.349 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 1.082 -38.501 44.465 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 19.146 -38.939 48.667 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 19.124 -38.754 49.606 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 19.836 -38.370 48.326 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 18.709 -39.372 51.589 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 18.222 -40.107 51.218 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 19.258 -39.765 52.267 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 18.461 -45.325 41.741 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 19.311 -44.904 41.869 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 18.466 -46.065 42.349 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 18.855 -47.272 43.565 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 18.129 -47.751 43.963 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 19.436 -47.066 44.297 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 18.614 -44.487 48.513 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 19.448 -44.865 48.232 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 18.726 -43.544 48.394 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 17.101 -41.609 50.820 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 16.453 -41.284 51.445 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 16.583 -42.049 50.145 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 19.123 -47.371 39.956 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 18.602 -47.014 39.237 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 19.090 -46.696 40.634 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 17.472 -50.131 38.507 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 17.569 -49.464 37.827 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 17.332 -50.947 38.025 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 16.642 -48.751 44.128 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 16.492 -49.696 44.108 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 16.288 -48.470 44.972 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 10.803 -38.201 49.294 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 10.346 -37.672 48.640 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 10.966 -37.598 50.019 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.130 -39.323 50.239 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 12.226 -39.158 49.973 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 13.559 -38.470 50.173 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 15.735 -37.753 50.534 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 15.553 -36.837 50.323 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 15.911 -38.163 49.687 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 7.718 -39.886 47.502 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 7.931 -40.774 47.215 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 7.783 -39.920 48.457 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 12.632 -27.576 -12.141 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 12.721 -26.632 -12.273 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 11.993 -27.851 -12.799 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 11.565 -28.321 -8.722 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 11.527 -28.967 -8.017 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 11.242 -28.787 -9.493 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 15.271 -25.382 -10.420 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 14.830 -26.102 -9.970 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 15.258 -24.661 -9.790 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 4.857 -24.256 -8.594 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 4.487 -25.058 -8.963 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 5.798 -24.425 -8.547 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 1.467 -30.596 -13.201 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 1.019 -29.750 -13.219 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 0.906 -31.176 -13.716 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 12.382 -20.277 -10.208 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 13.002 -20.954 -10.481 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 12.174 -20.495 -9.300 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 13.095 -31.494 -7.988 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 13.238 -32.441 -7.968 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 12.989 -31.287 -8.917 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 6.250 -33.393 -10.716 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 6.293 -32.533 -11.134 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 5.792 -33.945 -11.349 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 8.026 -29.446 -10.738 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 8.642 -29.972 -10.229 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 7.440 -30.086 -11.142 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 5.060 -34.475 -6.642 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 4.841 -33.945 -7.408 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 4.392 -34.248 -5.994 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 2.158 -25.164 -14.785 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 1.886 -24.935 -15.674 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 2.203 -24.326 -14.325 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 15.783 -23.542 -8.072 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 14.841 -23.484 -7.911 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 16.059 -22.636 -8.209 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.880 -25.294 -4.461 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 17.020 -25.885 -5.200 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 17.048 -24.421 -4.817 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 14.656 -29.948 -4.669 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 14.736 -29.185 -4.097 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 14.055 -29.669 -5.360 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 6.404 -27.492 -11.854 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 6.074 -27.862 -12.673 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 6.992 -28.162 -11.508 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.771 -24.064 -9.173 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.676 -24.642 -9.930 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 8.500 -24.435 -8.677 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 13.080 -23.220 -7.487 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 12.839 -22.558 -6.839 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 12.882 -24.054 -7.062 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 5.890 -22.252 -2.740 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.898 -22.388 -3.688 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.974 -22.370 -2.488 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 5.394 -28.422 -14.265 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 5.102 -27.654 -14.756 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 4.720 -29.082 -14.428 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 16.587 -31.120 -2.404 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 16.180 -30.639 -3.124 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 16.628 -32.025 -2.711 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 6.355 -36.266 -8.411 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 5.494 -36.353 -8.819 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 6.333 -35.410 -7.984 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 11.018 -36.544 -5.037 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 11.438 -36.959 -4.284 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 10.085 -36.722 -4.920 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 14.344 -32.788 -4.183 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 13.830 -32.914 -3.386 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 14.189 -31.876 -4.428 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 6.443 -31.079 -12.404 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 5.550 -31.420 -12.463 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 6.894 -31.456 -13.160 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 12.983 -31.217 -10.773 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 12.788 -30.612 -11.488 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 13.165 -32.051 -11.208 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 0.804 -33.864 -11.599 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 1.435 -33.893 -10.879 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 1.254 -34.289 -12.329 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.025 -33.652 -11.318 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 8.114 -33.595 -11.029 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 9.530 -33.712 -10.507 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 3.853 -32.023 -12.491 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 2.964 -31.923 -12.831 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 4.149 -32.865 -12.837 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 13.430 -34.417 -8.054 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 12.753 -34.286 -7.390 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 12.944 -34.572 -8.864 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 10.345 -30.864 -9.431 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 10.909 -31.411 -9.978 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 10.197 -31.386 -8.642 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 16.665 -27.130 -6.546 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 17.307 -26.673 -7.089 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 15.835 -27.017 -7.008 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 14.472 -27.778 -8.291 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 13.544 -28.010 -8.318 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 14.923 -28.555 -8.621 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 8.442 -25.787 -12.582 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 8.201 -24.862 -12.540 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 7.702 -26.246 -12.186 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 15.160 -20.987 -4.097 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 14.558 -21.542 -4.592 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 15.441 -20.320 -4.723 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 2.933 -21.949 -6.255 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 3.150 -22.881 -6.286 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 3.180 -21.675 -5.371 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 12.017 -34.013 -5.800 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 12.715 -33.939 -5.150 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 11.636 -34.877 -5.645 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.343 -29.989 -9.752 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 14.546 -30.404 -10.081 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 15.788 -30.680 -9.261 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 3.925 -36.615 -9.393 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 3.696 -36.556 -10.320 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 3.482 -37.407 -9.086 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 2.855 -22.675 -13.232 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 2.023 -22.202 -13.205 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 3.401 -22.165 -13.831 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 6.741 -21.143 -0.282 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 7.509 -21.602 0.059 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 6.720 -21.369 -1.212 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 13.318 -22.763 -1.553 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 12.967 -23.619 -1.310 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 14.044 -22.620 -0.946 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 7.582 -34.318 -5.579 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 8.118 -33.867 -6.231 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 6.730 -34.426 -6.001 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 14.896 -28.275 -2.233 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 14.615 -27.566 -2.811 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 15.839 -28.348 -2.384 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 8.388 -36.862 -5.147 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 8.290 -35.915 -5.253 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 7.645 -37.234 -5.623 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 12.368 -33.413 -2.508 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 11.420 -33.381 -2.376 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 12.680 -34.038 -1.854 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 14.002 -34.779 -0.503 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 13.905 -35.731 -0.509 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 13.680 -34.510 0.358 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 8.610 -37.568 -2.476 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 9.322 -38.208 -2.490 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 8.509 -37.301 -3.390 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 8.963 -35.885 -0.422 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 8.832 -36.361 -1.243 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 8.364 -35.141 -0.478 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 1.597 -20.892 -10.881 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.263 -21.773 -10.709 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 1.819 -20.547 -10.017 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 17.160 -24.726 -0.341 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 16.294 -24.831 0.053 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 17.536 -23.967 0.106 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 17.101 -22.753 -5.748 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 16.453 -22.428 -5.123 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 16.583 -23.193 -6.423 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 17.498 -27.925 -2.801 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 18.081 -28.659 -2.610 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 18.062 -27.153 -2.755 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 16.993 -30.994 -5.766 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 16.150 -30.726 -5.400 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 17.436 -30.172 -5.977 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 2.496 -34.234 -9.398 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 2.941 -35.026 -9.096 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 2.962 -33.518 -8.967 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 1.077 -36.239 -5.930 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 0.412 -36.485 -5.287 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 0.634 -35.617 -6.507 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 3.269 -23.064 -1.786 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 2.448 -22.889 -2.246 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 3.017 -23.137 -0.865 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 6.223 -22.089 -5.527 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 5.798 -21.280 -5.810 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 7.128 -22.004 -5.829 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 10.534 -20.690 -2.568 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 10.719 -21.024 -1.690 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 11.381 -20.381 -2.890 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 12.879 -19.405 -3.324 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 13.556 -20.037 -3.564 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.201 -19.003 -2.516 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 6.092 -19.233 -6.450 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 5.227 -19.161 -6.046 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 6.037 -18.686 -7.234 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 10.803 -19.345 -7.274 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 10.346 -18.816 -7.928 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 10.966 -18.742 -6.549 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.130 -20.467 -6.329 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 12.226 -20.302 -6.595 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.559 -19.614 -6.395 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 15.735 -18.897 -6.034 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 15.553 -17.981 -6.245 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.911 -19.307 -6.881 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 3.040 -20.210 -8.569 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 3.021 -20.635 -7.712 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 3.845 -20.528 -8.978 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 5.181 -21.500 -9.914 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 4.962 -22.416 -9.745 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 6.005 -21.360 -9.448 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 7.718 -21.030 -9.066 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 7.931 -21.918 -9.353 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 7.783 -21.064 -8.111 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 11.227 -35.366 -9.921 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 10.552 -35.995 -9.666 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 11.791 -35.850 -10.524 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 3.511 -36.218 -2.582 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 3.145 -36.983 -2.139 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 4.424 -36.189 -2.295 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 5.484 -36.867 -1.046 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 6.383 -37.141 -1.231 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 5.098 -37.610 -0.582 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 13.906 -37.535 -0.864 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 13.982 -37.961 -0.010 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 14.799 -37.521 -1.206 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 17.082 -21.462 -2.171 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 16.300 -21.648 -2.691 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 17.010 -20.533 -1.954 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 13.972 -33.262 6.541 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 14.618 -33.591 7.166 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 14.482 -32.744 5.918 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 15.736 -33.971 8.522 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 15.521 -34.737 9.054 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 16.392 -33.499 9.035 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 9.086 -37.169 9.667 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 8.969 -38.118 9.613 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 8.231 -36.837 9.940 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 4.482 -20.478 6.435 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 4.634 -20.826 7.314 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 3.631 -20.834 6.180 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 13.930 -20.113 1.657 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 14.305 -20.857 1.186 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 13.934 -20.383 2.575 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 6.355 -36.266 10.445 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 5.494 -36.353 10.037 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 6.333 -35.410 10.872 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 15.107 -27.927 0.434 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 15.149 -28.150 -0.496 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 15.956 -27.529 0.624 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 12.983 -31.217 8.083 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 12.788 -30.612 7.368 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 13.165 -32.051 7.648 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 0.804 -33.864 7.257 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 1.435 -33.893 7.977 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 1.254 -34.289 6.527 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 2.079 -33.118 2.681 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 2.553 -32.527 2.096 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 1.361 -32.587 3.028 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 9.025 -33.652 7.538 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 8.114 -33.595 7.827 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 9.530 -33.712 8.349 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 5.347 -34.728 5.843 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 5.030 -35.630 5.808 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 6.128 -34.726 5.291 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 8.971 -32.476 11.839 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 8.136 -32.022 11.949 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 9.495 -32.200 12.591 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 19.016 -31.372 3.078 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 18.462 -31.768 2.406 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 19.117 -30.462 2.801 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 17.312 -22.586 3.543 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 16.939 -23.412 3.853 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 17.589 -22.769 2.646 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 14.704 -24.610 1.364 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 15.057 -24.990 2.168 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 13.755 -24.703 1.450 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 19.208 -20.130 1.565 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 19.951 -19.544 1.425 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 18.513 -19.562 1.898 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 15.570 -25.937 3.590 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 15.293 -26.665 4.146 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 16.497 -25.818 3.796 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 12.801 -34.361 4.153 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 13.021 -33.889 3.350 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 13.359 -33.966 4.824 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 10.885 -35.552 5.926 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 10.538 -34.934 6.571 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 11.543 -35.051 5.445 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 7.808 -21.187 2.998 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 7.969 -20.387 2.497 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 7.611 -20.880 3.883 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 6.542 -34.489 2.614 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 6.459 -33.600 2.960 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 7.432 -34.754 2.845 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 3.925 -36.615 9.463 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 3.696 -36.556 8.536 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 3.482 -37.407 9.770 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 10.833 -21.635 -0.051 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 10.189 -22.266 0.271 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 11.595 -22.166 -0.283 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 15.437 -21.818 0.183 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 15.720 -22.612 0.636 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 16.177 -21.585 -0.378 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 18.002 -27.338 0.054 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 17.729 -27.763 -0.759 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 18.042 -26.407 -0.163 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.510 -19.002 1.610 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.443 -18.844 1.754 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.246 -18.327 0.985 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 2.078 -24.366 1.093 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 2.992 -24.287 1.366 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 2.085 -25.053 0.426 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 0.727 -18.973 6.170 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 0.080 -19.435 5.637 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 1.082 -19.645 6.753 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 1.597 -20.892 7.975 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 1.263 -21.773 8.147 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 1.819 -20.547 8.839 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 18.461 -26.469 4.029 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 19.311 -26.048 4.157 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 18.466 -27.209 4.637 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 18.855 -28.416 5.853 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 18.129 -28.895 6.251 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 19.436 -28.210 6.585 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 18.614 -25.631 10.801 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 19.448 -26.009 10.520 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 18.726 -24.688 10.682 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 17.101 -22.753 13.108 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 16.453 -22.428 13.733 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 16.583 -23.193 12.433 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 17.472 -31.275 0.795 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 17.569 -30.608 0.115 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 17.332 -32.091 0.313 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 16.642 -29.895 6.416 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 16.492 -30.840 6.396 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 16.288 -29.614 7.260 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 1.677 -27.817 10.426 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 1.861 -27.899 9.491 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 2.526 -27.941 10.850 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 16.720 -33.867 -0.088 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 17.330 -34.239 0.549 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 15.883 -34.289 0.108 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 16.352 -32.312 4.878 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 16.632 -33.219 5.003 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 17.111 -31.878 4.489 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 16.966 -35.049 4.927 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 17.148 -35.498 5.752 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 16.366 -35.634 4.463 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 2.496 -34.234 9.458 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 2.941 -35.026 9.760 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 2.962 -33.518 9.889 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 0.800 -31.235 10.527 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 1.292 -31.456 9.737 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 1.162 -30.394 10.808 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 1.113 -34.977 4.582 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 0.188 -34.768 4.452 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 1.567 -34.493 3.892 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 1.077 -36.239 12.926 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 0.412 -36.485 13.569 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 0.634 -35.617 12.349 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.227 -35.366 8.935 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.552 -35.995 9.190 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.791 -35.850 8.332 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 16.369 -37.259 9.047 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 16.973 -36.711 8.546 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 15.500 -36.939 8.807 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 18.096 -36.120 7.381 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 18.708 -36.634 6.854 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 18.479 -35.242 7.404 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 3.553 -36.732 6.757 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 2.776 -36.966 6.249 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 4.084 -37.529 6.765 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 2.390 -36.934 2.560 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 2.829 -36.323 1.969 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 1.756 -36.396 3.034 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 8.133 -36.805 6.570 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 9.007 -36.417 6.540 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 7.997 -37.020 7.493 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 13.690 -36.775 8.219 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 13.766 -36.680 7.270 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 13.414 -37.683 8.348 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 15.043 -36.749 3.912 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.340 -36.135 3.702 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 14.598 -37.587 4.043 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 2.291 -20.986 3.458 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 1.606 -21.024 2.790 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 2.294 -20.073 3.746 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 11.155 -19.776 1.855 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.021 -19.410 1.677 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 10.908 -20.216 1.042 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 17.864 -20.213 4.535 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 17.670 -20.961 3.970 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 17.825 -19.455 3.951 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 4.109 -20.066 0.483 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 3.841 -19.779 1.356 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 4.880 -20.612 0.635 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 18.980 -25.572 34.771 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 18.128 -25.334 34.404 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 19.570 -25.589 34.018 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 12.632 -27.576 44.427 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 12.721 -26.632 44.295 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 11.993 -27.851 43.769 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 11.565 -28.321 47.846 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 11.527 -28.967 48.551 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 11.242 -28.787 47.075 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 15.271 -25.382 46.148 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 14.830 -26.102 46.598 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 15.258 -24.661 46.778 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 1.467 -30.596 43.367 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 1.019 -29.750 43.349 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 0.906 -31.176 42.852 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 18.617 -34.287 49.113 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 18.666 -33.677 49.849 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 19.043 -33.826 48.390 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 13.095 -31.494 48.580 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 13.238 -32.441 48.600 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 12.989 -31.287 47.651 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 6.250 -33.393 45.852 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 6.293 -32.533 45.434 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 5.792 -33.945 45.219 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.026 -29.446 45.830 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.642 -29.972 46.339 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 7.440 -30.086 45.426 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 12.429 -24.975 43.470 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 12.133 -25.297 42.619 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 12.105 -24.075 43.512 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 2.158 -25.164 41.783 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 1.886 -24.935 40.894 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 2.203 -24.326 42.243 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 16.083 -35.256 49.913 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 15.347 -34.645 49.875 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 16.767 -34.841 49.387 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 9.086 -37.169 47.379 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 8.969 -38.118 47.325 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 8.231 -36.837 47.652 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 15.194 -23.860 43.630 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 14.937 -24.550 43.018 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 15.265 -24.303 44.475 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 14.759 -28.122 42.831 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 14.027 -27.894 43.404 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 15.206 -28.836 43.286 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 14.656 -29.948 51.899 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 14.736 -29.185 52.471 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 14.055 -29.669 51.208 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 6.404 -27.492 44.714 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.074 -27.862 43.895 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 6.992 -28.162 45.060 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 11.356 -22.223 43.951 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 11.830 -21.928 44.729 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 10.793 -21.485 43.718 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 5.394 -28.422 42.303 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 5.102 -27.654 41.812 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 4.720 -29.082 42.140 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 10.828 -19.267 42.366 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 10.753 -19.388 41.420 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 10.861 -18.317 42.485 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 13.930 -20.113 39.369 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 14.305 -20.857 38.898 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 13.934 -20.383 40.287 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.599 -20.187 42.118 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.664 -20.087 42.297 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 13.879 -20.896 42.696 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 6.355 -36.266 48.157 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 5.494 -36.353 47.749 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 6.333 -35.410 48.584 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 11.018 -36.544 51.531 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 11.438 -36.959 52.284 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 10.085 -36.722 51.648 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 14.344 -32.788 52.385 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 13.830 -32.914 53.182 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 14.189 -31.876 52.140 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 15.107 -27.927 38.146 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 15.149 -28.150 37.216 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 15.956 -27.529 38.336 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 6.443 -31.079 44.164 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 5.550 -31.420 44.105 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 6.894 -31.456 43.408 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 0.804 -33.864 44.969 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.435 -33.893 45.689 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 1.254 -34.289 44.239 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 2.079 -33.118 40.393 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 2.553 -32.527 39.808 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 1.361 -32.587 40.740 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 12.247 -29.579 50.466 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 12.571 -30.210 49.823 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 11.807 -30.114 51.127 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 3.853 -32.023 44.077 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 2.964 -31.923 43.737 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 4.149 -32.865 43.731 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 10.345 -30.864 47.137 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 10.909 -31.411 46.590 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 10.197 -31.386 47.926 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 5.347 -34.728 43.555 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.030 -35.630 43.520 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 6.128 -34.726 43.003 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 8.971 -32.476 49.551 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 8.136 -32.022 49.661 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 9.495 -32.200 50.303 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 19.016 -31.372 40.790 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 18.462 -31.768 40.118 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 19.117 -30.462 40.513 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 17.312 -22.586 41.255 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 16.939 -23.412 41.565 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 17.589 -22.769 40.358 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 14.472 -27.778 48.277 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 13.544 -28.010 48.250 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 14.923 -28.555 47.947 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 7.015 -23.450 44.410 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 7.542 -22.677 44.209 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 6.135 -23.225 44.108 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 8.442 -25.787 43.986 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 8.201 -24.862 44.028 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 7.702 -26.246 44.382 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 14.704 -24.610 39.076 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 15.057 -24.990 39.880 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 13.755 -24.703 39.162 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 15.570 -25.937 41.302 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 15.293 -26.665 41.858 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 16.497 -25.818 41.508 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 4.185 -26.675 40.489 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 3.499 -26.323 41.056 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 4.708 -25.912 40.243 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 12.017 -34.013 50.768 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 12.715 -33.939 51.418 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 11.636 -34.877 50.923 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 10.470 -22.230 40.728 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 9.653 -21.733 40.781 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 10.999 -21.755 40.088 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 10.537 -31.647 51.885 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 10.656 -31.073 52.642 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 11.192 -32.335 52.000 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 7.808 -21.187 40.710 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 7.969 -20.387 40.209 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 7.611 -20.880 41.595 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 4.801 -24.061 39.386 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 5.393 -23.362 39.662 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 5.260 -24.494 38.667 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 18.002 -27.338 37.766 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 17.729 -27.763 36.953 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 18.042 -26.407 37.549 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 8.510 -19.002 39.322 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 9.443 -18.844 39.466 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 8.246 -18.327 38.697 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 2.078 -24.366 38.805 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 2.992 -24.287 39.078 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 2.085 -25.053 38.138 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 18.461 -26.469 41.741 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 19.311 -26.048 41.869 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 18.466 -27.209 42.349 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 18.855 -28.416 43.565 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 18.129 -28.895 43.963 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 19.436 -28.210 44.297 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 19.123 -28.515 39.956 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 18.602 -28.158 39.237 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 19.090 -27.840 40.634 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 17.472 -31.275 38.507 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 17.569 -30.608 37.827 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 17.332 -32.091 38.025 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 16.642 -29.895 44.128 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 16.492 -30.840 44.108 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 16.288 -29.614 44.972 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 16.964 -31.731 48.026 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 17.897 -31.519 47.992 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 16.729 -31.629 48.949 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 16.993 -30.994 50.802 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 16.150 -30.726 51.168 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 17.436 -30.172 50.591 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 1.113 -34.977 42.294 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 0.188 -34.768 42.164 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 1.567 -34.493 41.604 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 15.884 -19.993 44.239 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 16.537 -20.340 43.631 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 16.395 -19.504 44.885 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 17.797 -36.815 52.324 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 16.984 -36.490 51.936 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 18.030 -37.575 51.791 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 3.553 -36.732 44.469 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 2.776 -36.966 43.961 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 4.084 -37.529 44.477 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 8.133 -36.805 44.282 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 9.007 -36.417 44.252 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 7.997 -37.020 45.205 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 2.291 -20.986 41.170 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 1.606 -21.024 40.502 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 2.294 -20.073 41.458 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 11.155 -19.776 39.567 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 12.021 -19.410 39.389 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 10.908 -20.216 38.754 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 17.864 -20.213 42.247 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 17.670 -20.961 41.682 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 17.825 -19.455 41.663 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 9.086 -18.313 -9.189 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 8.969 -19.262 -9.243 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 8.231 -17.981 -8.916 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 11.018 -17.688 -5.037 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 11.438 -18.103 -4.284 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 10.085 -17.866 -4.920 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 8.388 -18.006 -5.147 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 8.290 -17.059 -5.253 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 7.645 -18.378 -5.623 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 8.610 -18.712 -2.476 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 9.322 -19.352 -2.490 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 8.509 -18.445 -3.390 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 8.963 -17.029 -0.422 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 8.832 -17.505 -1.243 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 8.364 -16.285 -0.478 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 13.906 -18.679 -0.864 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 13.982 -19.105 -0.010 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 14.799 -18.665 -1.206 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 11.565 -9.465 10.134 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 11.527 -10.111 10.839 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 11.242 -9.931 9.363 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 13.095 -12.638 10.868 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 13.238 -13.585 10.888 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 12.989 -12.431 9.939 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 6.250 -14.537 8.140 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 6.293 -13.677 7.722 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 5.792 -15.089 7.507 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 13.972 -14.406 6.541 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 14.618 -14.735 7.166 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 14.482 -13.888 5.918 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 8.026 -10.590 8.118 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 8.642 -11.116 8.627 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 7.440 -11.230 7.714 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 5.060 -15.619 12.214 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 4.841 -15.089 11.448 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 4.392 -15.392 12.862 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 4.654 -13.727 10.167 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 5.267 -13.094 10.540 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 5.166 -14.199 9.510 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 18.722 -10.098 12.461 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 18.070 -9.403 12.550 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 19.187 -9.888 11.651 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 14.656 -11.092 14.187 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 14.736 -10.329 14.759 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 14.055 -10.813 13.496 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 6.771 -9.867 10.635 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 7.336 -9.746 9.872 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 7.090 -9.230 11.274 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 17.328 -18.354 2.617 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 16.429 -18.215 2.912 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 17.580 -17.523 2.215 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 10.680 -15.195 1.104 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 10.426 -15.176 2.027 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 10.423 -16.067 0.803 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 6.446 -12.444 11.540 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 5.804 -12.485 12.249 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 6.483 -11.518 11.302 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 6.443 -12.223 6.452 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 5.550 -12.564 6.393 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 6.894 -12.600 5.696 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 11.979 -11.807 5.269 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 11.570 -10.992 4.977 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 12.699 -11.947 4.654 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 11.081 -11.632 16.757 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 10.518 -12.336 17.077 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 11.907 -11.752 17.224 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 12.983 -12.361 8.083 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 12.788 -11.756 7.368 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 13.165 -13.195 7.648 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 4.196 -12.124 13.407 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.158 -11.724 14.275 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 3.705 -12.941 13.497 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 12.247 -10.723 12.754 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 12.571 -11.354 12.111 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 11.807 -11.258 13.415 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 7.506 -13.167 4.021 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 8.438 -13.038 4.199 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 7.291 -12.497 3.372 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 10.345 -12.008 9.425 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 10.909 -12.555 8.878 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 10.197 -12.530 10.214 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 5.347 -15.872 5.843 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 5.030 -16.774 5.808 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 6.128 -15.870 5.291 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 16.665 -8.274 12.310 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 17.307 -7.817 11.767 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.835 -8.161 11.848 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 13.413 -14.593 1.723 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 12.475 -14.481 1.572 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 13.710 -13.736 2.029 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 14.131 -12.726 3.384 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 15.023 -12.863 3.703 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 14.188 -11.935 2.847 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 8.665 -10.134 16.821 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 8.369 -10.300 15.926 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 9.596 -10.354 16.811 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 19.016 -12.516 3.078 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 18.462 -12.912 2.406 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 19.117 -11.606 2.801 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 18.980 -6.716 15.915 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 18.128 -6.478 15.548 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 19.570 -6.733 15.162 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 3.282 -14.898 14.166 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 2.389 -14.559 14.099 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 3.183 -15.753 14.584 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 12.801 -15.505 4.153 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 13.021 -15.033 3.350 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 13.359 -15.110 4.824 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 10.001 -13.777 4.988 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 10.813 -13.273 5.034 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 9.756 -13.922 5.902 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 10.537 -12.791 14.173 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 10.656 -12.217 14.930 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 11.192 -13.479 14.288 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 6.542 -15.633 2.614 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 6.459 -14.744 2.960 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 7.432 -15.898 2.845 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 15.343 -11.133 9.104 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.546 -11.548 8.775 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 15.788 -11.824 9.595 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 3.925 -17.759 9.463 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 3.696 -17.700 8.536 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 3.482 -18.551 9.770 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 6.830 -11.187 14.702 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 6.212 -10.512 14.983 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 7.174 -10.866 13.869 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 7.170 -13.832 15.785 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 7.320 -14.561 15.182 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 7.172 -13.055 15.226 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 9.164 -10.023 13.517 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 9.915 -10.179 12.944 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 8.825 -9.171 13.241 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 13.580 -12.208 18.545 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 13.772 -13.139 18.434 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 14.437 -11.783 18.535 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 14.896 -9.419 16.623 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 14.615 -8.710 16.045 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.839 -9.492 16.472 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 5.648 -12.634 17.696 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 4.881 -13.166 17.486 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 6.327 -12.944 17.097 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 9.652 -13.684 17.272 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 9.416 -13.904 18.174 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 8.869 -13.891 16.763 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 3.829 -14.713 17.401 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 4.040 -15.420 16.790 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 3.717 -15.151 18.245 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 18.855 -9.560 5.853 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 18.129 -10.039 6.251 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 19.436 -9.354 6.585 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.642 -11.039 6.416 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.492 -11.984 6.396 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.288 -10.758 7.260 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 17.498 -9.069 16.055 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 18.081 -9.803 16.246 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 18.062 -8.297 16.101 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 16.352 -13.456 4.878 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 16.632 -14.363 5.003 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.111 -13.022 4.489 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 16.964 -12.875 10.314 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 17.897 -12.663 10.280 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 16.729 -12.773 11.237 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 1.275 -13.690 16.567 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 2.194 -13.812 16.803 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 0.825 -14.440 16.956 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 16.966 -16.193 4.927 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 17.148 -16.642 5.752 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 16.366 -16.778 4.463 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 2.496 -15.378 9.458 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 2.941 -16.170 9.760 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 2.962 -14.662 9.889 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 18.832 -16.126 1.455 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 19.245 -16.847 0.979 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 19.514 -15.456 1.513 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 1.077 -17.383 12.926 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 0.412 -17.629 13.569 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 0.634 -16.761 12.349 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 3.553 -17.876 6.757 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 2.776 -18.110 6.249 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 4.084 -18.673 6.765 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 2.390 -18.078 2.560 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 2.829 -17.467 1.969 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 1.756 -17.540 3.034 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 15.043 -17.893 3.912 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 14.340 -17.279 3.702 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 14.598 -18.731 4.043 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 9.277 -15.869 3.460 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 9.455 -16.515 4.143 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 9.223 -15.035 3.927 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 12.632 -8.720 25.571 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 12.721 -7.776 25.439 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 11.993 -8.995 24.913 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 11.565 -9.465 28.990 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 11.527 -10.111 29.695 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 11.242 -9.931 28.219 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 3.933 -9.850 30.583 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 3.975 -10.476 31.307 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 4.636 -9.227 30.765 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 1.467 -11.740 24.511 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 1.019 -10.894 24.493 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 0.906 -12.320 23.996 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 2.177 -9.578 26.637 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 2.391 -10.348 27.164 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 2.915 -9.489 26.034 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 9.954 -7.032 29.396 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 10.258 -7.718 28.802 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 10.676 -6.914 30.014 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 12.429 -6.119 24.614 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 12.133 -6.441 23.763 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 12.105 -5.219 24.656 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 7.629 -7.943 31.358 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 6.889 -7.345 31.461 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 8.343 -7.389 31.042 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 11.353 -9.476 23.023 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 10.641 -8.941 22.672 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 12.044 -9.420 22.363 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 11.407 -11.018 20.062 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 12.108 -10.996 20.713 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 11.709 -11.646 19.406 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 18.722 -10.098 31.317 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 18.070 -9.403 31.406 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 19.187 -9.888 30.507 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 14.759 -9.266 23.975 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 14.027 -9.038 24.548 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 15.206 -9.980 24.430 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 14.656 -11.092 33.043 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 14.736 -10.329 33.615 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 14.055 -10.813 32.352 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 6.404 -8.636 25.858 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 6.074 -9.006 25.039 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 6.992 -9.306 26.204 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 6.771 -9.867 29.491 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 7.336 -9.746 28.728 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 7.090 -9.230 30.130 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 13.630 -10.104 21.660 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 14.209 -9.954 22.407 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 14.044 -9.633 20.937 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 4.571 -9.270 33.437 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 4.641 -8.619 34.135 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 3.680 -9.167 33.102 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 5.394 -9.566 23.447 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 5.102 -8.798 22.956 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 4.720 -10.226 23.284 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 15.107 -9.071 19.290 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 15.149 -9.294 18.360 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 15.956 -8.673 19.480 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 11.081 -11.632 35.613 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 10.518 -12.336 35.933 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 11.907 -11.752 36.080 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 2.079 -14.262 21.537 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 2.553 -13.671 20.952 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 1.361 -13.731 21.884 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 12.247 -10.723 31.610 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 12.571 -11.354 30.967 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 11.807 -11.258 32.271 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 3.853 -13.167 25.221 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 2.964 -13.067 24.881 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 4.149 -14.009 24.875 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 7.506 -13.167 22.877 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 8.438 -13.038 23.055 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 7.291 -12.497 22.228 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 6.180 -11.972 20.444 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 5.638 -12.352 19.753 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 7.014 -11.778 20.015 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 9.515 -7.407 22.380 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 8.771 -7.914 22.057 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 9.381 -7.358 23.326 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 16.665 -8.274 31.166 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 17.307 -7.817 30.623 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 15.835 -8.161 30.704 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 4.640 -8.112 28.149 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 5.385 -8.114 27.548 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 4.718 -8.936 28.631 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 1.648 -9.651 33.464 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 1.871 -10.069 34.296 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 1.046 -10.264 33.042 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 8.665 -10.134 35.677 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 8.369 -10.300 34.782 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 9.596 -10.354 35.667 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 18.980 -6.716 34.771 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 18.128 -6.478 34.404 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 19.570 -6.733 34.018 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 14.472 -8.922 29.421 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 13.544 -9.154 29.394 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 14.923 -9.699 29.091 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 8.442 -6.931 25.130 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 8.201 -6.006 25.172 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 7.702 -7.390 25.526 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 6.542 -15.633 21.470 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 6.459 -14.744 21.816 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 7.432 -15.898 21.701 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 15.343 -11.133 27.960 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 14.546 -11.548 27.631 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 15.788 -11.824 28.451 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 3.117 -12.541 19.646 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 3.072 -11.602 19.825 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 2.229 -12.777 19.376 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 14.441 -7.510 33.580 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 15.186 -6.922 33.460 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 13.684 -6.928 33.643 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 2.883 -10.196 36.184 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 3.291 -11.053 36.063 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 2.623 -10.181 37.105 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 7.541 -9.080 21.202 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 7.082 -9.564 21.888 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 7.796 -9.748 20.566 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 6.830 -11.187 33.558 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 6.212 -10.512 33.839 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 7.174 -10.866 32.725 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 8.612 -10.837 19.465 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 8.432 -10.991 18.537 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 9.563 -10.729 19.509 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 18.002 -8.482 18.910 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 17.729 -8.907 18.097 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 18.042 -7.551 18.693 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 7.170 -13.832 34.641 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 7.320 -14.561 34.038 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 7.172 -13.055 34.082 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 9.164 -10.023 32.373 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 9.915 -10.179 31.800 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 8.825 -9.171 32.097 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 13.580 -12.208 37.401 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 13.772 -13.139 37.290 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 14.437 -11.783 37.391 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 14.896 -9.419 35.479 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 14.615 -8.710 34.901 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 15.839 -9.492 35.328 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 5.648 -12.634 36.552 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 4.881 -13.166 36.342 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 6.327 -12.944 35.953 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 9.652 -13.684 36.128 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 9.416 -13.904 37.030 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 8.869 -13.891 35.619 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 14.002 -15.923 37.209 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 13.905 -16.875 37.203 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 13.680 -15.654 38.070 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 3.829 -14.713 36.257 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 4.040 -15.420 35.646 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 3.717 -15.151 37.101 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 8.963 -17.029 37.290 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 8.832 -17.505 36.469 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 8.364 -16.285 37.234 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 18.461 -7.613 22.885 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 19.311 -7.192 23.013 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 18.466 -8.353 23.493 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 18.855 -9.560 24.709 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 18.129 -10.039 25.107 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 19.436 -9.354 25.441 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 19.123 -9.659 21.100 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 18.602 -9.302 20.381 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 19.090 -8.984 21.778 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 16.642 -11.039 25.272 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 16.492 -11.984 25.252 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 16.288 -10.758 26.116 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 1.677 -8.961 29.282 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 1.861 -9.043 28.347 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 2.526 -9.085 29.706 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 17.498 -9.069 34.911 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 18.081 -9.803 35.102 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 18.062 -8.297 34.957 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 18.995 -11.166 35.595 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 18.132 -11.545 35.430 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 19.599 -11.905 35.521 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 1.275 -13.690 35.423 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 2.194 -13.812 35.659 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 0.825 -14.440 35.812 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 2.496 -15.378 28.314 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 2.941 -16.170 28.616 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 2.962 -14.662 28.745 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 0.800 -12.379 29.383 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 1.292 -12.600 28.593 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 1.162 -11.538 29.664 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 1.113 -16.121 23.438 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 0.188 -15.912 23.308 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 1.567 -15.637 22.748 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 17.328 -18.354 40.329 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 16.429 -18.215 40.624 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 17.580 -17.523 39.927 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 15.107 -9.071 38.146 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 15.149 -9.294 37.216 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 15.956 -8.673 38.336 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 10.680 -15.195 38.816 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 10.426 -15.176 39.739 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 10.423 -16.067 38.515 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 7.562 -14.750 37.917 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 7.131 -15.195 38.647 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 6.844 -14.378 37.405 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 2.079 -14.262 40.393 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 2.553 -13.671 39.808 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 1.361 -13.731 40.740 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 13.413 -14.593 39.435 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 12.475 -14.481 39.284 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 13.710 -13.736 39.741 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 19.016 -12.516 40.790 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 18.462 -12.912 40.118 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 19.117 -11.606 40.513 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 6.542 -15.633 40.326 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 6.459 -14.744 40.672 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 7.432 -15.898 40.557 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 3.117 -12.541 38.502 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 3.072 -11.602 38.681 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 2.229 -12.777 38.232 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 18.002 -8.482 37.766 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 17.729 -8.907 36.953 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 18.042 -7.551 37.549 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 19.123 -9.659 39.956 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 18.602 -9.302 39.237 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 19.090 -8.984 40.634 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 17.472 -12.419 38.507 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 17.569 -11.752 37.827 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 17.332 -13.235 38.025 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 16.720 -15.011 37.624 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 17.330 -15.383 38.261 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 15.883 -15.433 37.820 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 16.966 -16.193 42.639 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 17.148 -16.642 43.464 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 16.366 -16.778 42.175 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 18.832 -16.126 39.167 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 19.245 -16.847 38.691 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 19.514 -15.456 39.225 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 2.390 -18.078 40.272 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 2.829 -17.467 39.681 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 1.756 -17.540 40.746 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 15.043 -17.893 41.624 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 14.340 -17.279 41.414 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 14.598 -18.731 41.755 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 4.251 -16.162 38.715 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 4.742 -16.792 38.187 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 4.874 -15.866 39.378 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 9.277 -15.869 41.172 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 9.455 -16.515 41.855 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 9.223 -15.035 41.639 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 23.713 -43.112 10.262 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 23.343 -43.914 9.893 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.654 -43.281 10.309 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 24.893 -43.691 13.289 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 24.887 -42.812 12.911 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 24.039 -43.774 13.714 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 26.507 -43.180 15.352 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 26.195 -42.398 15.808 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 25.857 -43.333 14.666 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 23.427 -46.982 14.581 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 23.497 -46.331 15.279 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 22.536 -46.879 14.246 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 20.343 -44.915 13.406 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 19.842 -44.943 12.591 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 20.349 -45.821 13.716 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 20.094 -42.135 10.290 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 21.040 -42.279 10.271 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 19.981 -41.351 10.827 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 29.270 -41.895 14.848 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 29.357 -41.069 15.323 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 28.406 -42.225 15.097 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 22.592 -43.592 14.449 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 22.809 -43.953 15.309 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 21.737 -43.966 14.239 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 23.171 -45.127 16.687 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 23.904 -44.873 17.248 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 22.391 -44.923 17.202 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.504 -47.363 14.608 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 20.727 -47.781 15.440 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 19.902 -47.976 14.186 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 27.813 -40.494 12.589 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 28.176 -39.639 12.356 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 28.345 -40.786 13.330 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.789 -40.805 12.601 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 22.006 -41.737 12.570 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 22.036 -40.531 13.485 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.907 -45.108 17.908 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.051 -46.010 17.622 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 20.134 -44.822 17.420 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 27.562 -45.138 17.341 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 27.234 -44.867 16.483 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 27.714 -46.079 17.253 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 20.453 -39.748 7.975 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 20.119 -40.629 8.147 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.675 -39.403 8.839 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.079 -40.945 13.329 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 24.654 -40.136 13.046 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 25.984 -40.860 13.027 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 29.390 -39.546 16.288 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 29.575 -39.880 17.166 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 30.237 -39.237 15.966 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 24.948 -38.089 12.406 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 24.083 -38.017 12.810 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 24.893 -37.542 11.622 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 21.896 -39.066 10.287 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 21.877 -39.491 11.144 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 22.701 -39.384 9.878 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 22.789 -47.562 30.583 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 22.831 -48.188 31.307 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 23.492 -46.939 30.765 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 20.323 -49.452 24.511 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 19.875 -48.606 24.493 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.762 -50.032 23.996 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 21.033 -47.290 26.637 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.247 -48.060 27.164 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 21.771 -47.201 26.034 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 21.726 -49.852 27.758 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 22.380 -50.402 28.190 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 21.750 -50.126 26.842 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 26.485 -45.655 31.358 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 25.745 -45.057 31.461 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 27.199 -45.101 31.042 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 24.893 -43.691 32.145 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.887 -42.812 31.767 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 24.039 -43.774 32.570 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 25.260 -46.348 25.858 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 24.930 -46.718 25.039 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 25.848 -47.018 26.204 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 26.627 -42.920 28.539 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 26.532 -43.498 27.782 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 27.356 -43.291 29.035 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.627 -47.579 29.491 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 26.192 -47.458 28.728 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 25.946 -46.942 30.130 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 26.507 -43.180 34.208 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 26.195 -42.398 34.664 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 25.857 -43.333 33.522 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 23.427 -46.982 33.437 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 23.497 -46.331 34.135 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 22.536 -46.879 33.102 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 30.212 -41.079 25.095 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 30.686 -40.784 25.873 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 29.649 -40.341 24.862 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 24.746 -41.108 34.972 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 24.754 -41.244 34.024 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 23.830 -41.226 35.224 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 24.250 -47.278 23.447 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 23.958 -46.510 22.956 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 23.576 -47.938 23.284 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 29.684 -38.123 23.510 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 29.609 -38.244 22.564 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 29.717 -37.173 23.629 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 23.052 -49.836 32.263 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 23.014 -49.436 33.131 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 22.561 -50.653 32.353 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 23.171 -45.127 35.543 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 23.904 -44.873 36.104 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 22.391 -44.923 36.058 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 28.371 -45.119 22.380 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 27.627 -45.626 22.057 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 28.237 -45.070 23.326 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 23.496 -45.824 28.149 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 24.241 -45.826 27.548 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.574 -46.648 28.631 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 20.504 -47.363 33.464 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 20.727 -47.781 34.296 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 19.902 -47.976 33.042 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 21.626 -47.444 20.141 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 22.242 -46.817 20.520 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 20.764 -47.128 20.412 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 27.298 -44.643 25.130 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 27.057 -43.718 25.172 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 26.558 -45.102 25.526 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 27.813 -40.494 31.445 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 28.176 -39.639 31.212 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 28.345 -40.786 32.186 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 27.651 -42.354 18.667 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 27.890 -43.102 18.119 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 27.382 -42.742 19.499 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 26.588 -42.784 21.123 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 26.735 -43.304 21.913 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 26.585 -41.877 21.429 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 23.041 -45.531 21.633 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 22.355 -45.179 22.200 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 23.564 -44.768 21.387 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 29.326 -41.086 21.872 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 28.509 -40.589 21.925 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 29.855 -40.611 21.232 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 21.000 -38.918 35.810 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 21.540 -39.135 36.569 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 20.519 -39.724 35.620 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 25.597 -39.999 37.430 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 26.365 -40.458 37.771 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 25.576 -40.225 36.500 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 29.689 -40.491 18.805 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 29.045 -41.122 19.127 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 30.451 -41.022 18.573 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 25.248 -44.764 18.896 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.312 -45.558 19.427 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 25.901 -44.883 18.207 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 21.739 -47.908 36.184 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.147 -48.765 36.063 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 21.479 -47.893 37.105 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 26.397 -46.792 21.202 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.938 -47.276 21.888 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.652 -47.460 20.566 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 27.366 -37.858 20.466 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 28.299 -37.700 20.610 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 27.102 -37.183 19.841 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 20.934 -43.222 19.949 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 21.848 -43.143 20.222 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 20.941 -43.909 19.282 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 20.131 -51.402 35.423 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.050 -51.524 35.659 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 19.681 -52.152 35.812 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 19.656 -50.091 29.383 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 20.148 -50.312 28.593 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 20.018 -49.250 29.664 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 25.079 -40.945 32.185 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 24.654 -40.136 31.902 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 25.984 -40.860 31.883 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 24.948 -38.089 31.262 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 24.083 -38.017 31.666 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 24.893 -37.542 30.478 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 26.574 -39.886 28.646 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 26.787 -40.774 28.359 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 26.639 -39.920 29.601 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 30.011 -38.632 20.711 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 30.877 -38.266 20.533 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 29.764 -39.072 19.898 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 21.014 -44.020 41.783 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 20.742 -43.791 40.894 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 21.059 -43.182 42.243 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 20.094 -42.135 48.002 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 21.040 -42.279 47.983 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 19.981 -41.351 48.539 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 23.338 -39.334 44.147 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 23.490 -39.682 45.026 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 22.487 -39.690 43.892 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 21.626 -47.444 38.997 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 22.242 -46.817 39.376 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 20.764 -47.128 39.268 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 26.588 -42.784 39.979 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.735 -43.304 40.769 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 26.585 -41.877 40.285 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 23.041 -45.531 40.489 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 22.355 -45.179 41.056 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 23.564 -44.768 40.243 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 26.664 -40.043 40.710 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 26.825 -39.243 40.209 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 26.467 -39.736 41.595 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 23.657 -42.917 39.386 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 24.249 -42.218 39.662 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 24.116 -43.350 38.667 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 21.973 -50.253 38.502 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 21.928 -49.314 38.681 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 21.085 -50.489 38.232 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 21.711 -41.531 43.336 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 20.879 -41.058 43.363 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 22.257 -41.021 42.737 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 25.248 -44.764 37.752 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 25.312 -45.558 38.283 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 25.901 -44.883 37.063 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 20.453 -39.748 45.687 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 20.119 -40.629 45.859 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 20.675 -39.403 46.551 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 21.896 -39.066 47.999 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.877 -39.491 48.856 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 22.701 -39.384 47.590 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 22.965 -38.922 38.195 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 22.697 -38.635 39.068 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 23.736 -39.468 38.347 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 22.789 -28.706 11.727 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 22.831 -29.332 12.451 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 23.492 -28.083 11.909 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 23.713 -24.256 10.262 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 23.343 -25.058 9.893 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 24.654 -24.425 10.309 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 21.033 -28.434 7.781 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 21.247 -29.204 8.308 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 21.771 -28.345 7.178 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 21.726 -30.996 8.902 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 22.380 -31.546 9.334 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 21.750 -31.270 7.986 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.916 -34.475 12.214 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.697 -33.945 11.448 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.248 -34.248 12.862 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 26.485 -26.799 12.502 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 25.745 -26.201 12.605 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.199 -26.245 12.186 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 23.510 -32.583 10.167 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 24.123 -31.950 10.540 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 24.022 -33.055 9.510 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 26.627 -24.064 9.683 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 26.532 -24.642 8.926 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 27.356 -24.435 10.179 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 25.627 -28.723 10.635 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 26.192 -28.602 9.872 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 25.946 -28.086 11.274 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 26.507 -24.324 15.352 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 26.195 -23.542 15.808 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 25.857 -24.477 14.666 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 23.427 -28.126 14.581 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 23.497 -27.475 15.279 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 22.536 -28.023 14.246 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 20.094 -23.279 10.290 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 21.040 -23.423 10.271 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 19.981 -22.495 10.827 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 29.270 -23.039 14.848 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 29.357 -22.213 15.323 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 28.406 -23.369 15.097 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 23.338 -20.478 6.435 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 23.490 -20.826 7.314 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.487 -20.834 6.180 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.211 -36.266 10.445 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 24.350 -36.353 10.037 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.189 -35.410 10.872 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 25.302 -31.300 11.540 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 24.660 -31.341 12.249 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 25.339 -30.374 11.302 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.052 -30.980 13.407 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.014 -30.580 14.275 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 22.561 -31.797 13.497 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 19.660 -33.864 7.257 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 20.291 -33.893 7.977 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 20.110 -34.289 6.527 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 29.891 -26.079 14.761 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 29.545 -26.460 15.567 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 29.691 -25.145 14.832 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 23.496 -26.968 9.293 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 24.241 -26.970 8.692 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 23.574 -27.792 9.775 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 20.504 -28.507 14.608 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 20.727 -28.925 15.440 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.902 -29.120 14.186 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 27.521 -28.990 16.821 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 27.225 -29.156 15.926 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 28.452 -29.210 16.811 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 27.813 -21.638 12.589 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 28.176 -20.783 12.356 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 28.345 -21.930 13.330 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 21.789 -21.949 12.601 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 22.006 -22.881 12.570 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 22.036 -21.675 13.485 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 22.781 -36.615 9.463 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 22.552 -36.556 8.536 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 22.338 -37.407 9.770 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 21.711 -22.675 5.624 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 20.879 -22.202 5.651 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.257 -22.165 5.025 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 32.174 -22.763 17.303 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 31.823 -23.619 17.546 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 32.900 -22.620 17.910 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 27.562 -26.282 17.341 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 27.234 -26.011 16.483 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 27.714 -27.223 17.253 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 25.686 -30.043 14.702 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 25.068 -29.368 14.983 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 26.030 -29.722 13.869 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 30.706 -27.572 17.980 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 31.659 -27.488 17.952 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 30.546 -28.283 18.599 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 26.026 -32.688 15.785 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 26.176 -33.417 15.182 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 26.028 -31.911 15.226 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 26.438 -34.318 13.277 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 26.974 -33.867 12.625 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 25.586 -34.426 12.855 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 28.020 -28.879 13.517 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 28.771 -29.035 12.944 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 27.681 -28.027 13.241 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 27.244 -36.862 13.709 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 27.146 -35.915 13.603 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 26.501 -37.234 13.233 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 28.508 -32.540 17.272 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 28.272 -32.760 18.174 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 27.725 -32.747 16.763 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 27.466 -37.568 16.380 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 28.178 -38.208 16.366 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 27.365 -37.301 15.466 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 27.819 -35.885 18.434 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 27.688 -36.361 17.613 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 27.220 -35.141 18.378 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 20.533 -27.817 10.426 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 20.717 -27.899 9.491 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.382 -27.941 10.850 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 21.352 -34.234 9.458 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 21.797 -35.026 9.760 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 21.818 -33.518 9.889 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 19.656 -31.235 10.527 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 20.148 -31.456 9.737 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 20.018 -30.394 10.808 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.079 -22.089 13.329 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 24.654 -21.280 13.046 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 25.984 -22.004 13.027 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 29.390 -20.690 16.288 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 29.575 -21.024 17.166 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 30.237 -20.381 15.966 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 31.735 -19.405 15.532 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 32.412 -20.037 15.292 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 32.057 -19.003 16.340 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 22.481 -18.833 13.376 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 21.761 -18.393 12.925 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 22.115 -19.084 14.225 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 24.948 -19.233 12.406 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 24.083 -19.161 12.810 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 24.893 -18.686 11.622 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 21.896 -20.210 10.287 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 21.877 -20.635 11.144 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 22.701 -20.528 9.878 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 24.037 -21.500 8.942 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 23.818 -22.416 9.111 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.861 -21.360 9.408 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 21.147 -20.986 3.458 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 20.462 -21.024 2.790 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 21.150 -20.073 3.746 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 31.488 -27.576 25.571 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 31.577 -26.632 25.439 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 30.849 -27.851 24.913 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 31.238 -20.277 27.504 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 31.858 -20.954 27.231 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 31.030 -20.495 28.412 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 28.810 -25.888 29.396 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 29.114 -26.574 28.802 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 29.532 -25.770 30.014 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.106 -33.393 26.996 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 25.149 -32.533 26.578 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.648 -33.945 26.363 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 26.882 -29.446 26.974 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 27.498 -29.972 27.483 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 26.296 -30.086 26.570 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 31.285 -24.975 24.614 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 30.989 -25.297 23.763 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 30.961 -24.075 24.656 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 26.485 -26.799 31.358 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 25.745 -26.201 31.461 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 27.199 -26.245 31.042 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.893 -24.835 32.145 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.887 -23.956 31.767 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.039 -24.918 32.570 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 27.942 -37.169 28.523 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 27.825 -38.118 28.469 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 27.087 -36.837 28.796 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 32.891 -21.761 26.265 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 33.316 -22.468 25.780 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 33.208 -20.960 25.848 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 30.209 -28.332 23.023 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 29.497 -27.797 22.672 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 30.900 -28.276 22.363 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 30.263 -29.874 20.062 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 30.964 -29.852 20.713 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 30.565 -30.502 19.406 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 26.627 -24.064 28.539 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 26.532 -24.642 27.782 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 27.356 -24.435 29.035 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.627 -28.723 29.491 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 26.192 -28.602 28.728 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.946 -28.086 30.130 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 31.936 -23.220 30.225 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 31.695 -22.558 30.873 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 31.738 -24.054 30.650 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 23.427 -28.126 33.437 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.497 -27.475 34.135 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 22.536 -28.023 33.102 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 30.212 -22.223 25.095 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 30.686 -21.928 25.873 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 29.649 -21.485 24.862 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.746 -22.252 34.972 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 24.754 -22.388 34.024 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 23.830 -22.370 35.224 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 29.270 -23.039 33.704 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 29.357 -22.213 34.179 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 28.406 -23.369 33.953 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 32.786 -20.113 20.513 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 33.161 -20.857 20.042 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 32.790 -20.383 21.431 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 32.455 -20.187 23.262 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 31.520 -20.087 23.441 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 32.735 -20.896 23.840 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 22.592 -24.736 33.305 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 22.809 -25.097 34.165 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 21.737 -25.110 33.095 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.211 -36.266 29.301 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 24.350 -36.353 28.893 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.189 -35.410 29.728 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 29.536 -34.051 19.960 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 29.282 -34.032 20.883 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 29.279 -34.923 19.659 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 25.302 -31.300 30.396 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 24.660 -31.341 31.105 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 25.339 -30.374 30.158 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 26.418 -33.606 19.061 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 25.987 -34.051 19.791 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 25.700 -33.234 18.549 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 27.881 -33.652 26.394 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 26.970 -33.595 26.683 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 28.386 -33.712 27.205 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 26.362 -32.023 22.877 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 27.294 -31.894 23.055 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 26.147 -31.353 22.228 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 25.036 -30.828 20.444 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 24.494 -31.208 19.753 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 25.870 -30.634 20.015 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 23.171 -26.271 35.543 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 23.904 -26.017 36.104 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 22.391 -26.067 36.058 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 29.201 -30.864 28.281 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 29.765 -31.411 27.734 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 29.053 -31.386 29.070 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 27.827 -32.476 30.695 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 26.992 -32.022 30.805 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 28.351 -32.200 31.447 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 30.497 -24.804 21.405 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 30.202 -23.978 21.787 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 29.794 -25.424 21.601 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 27.298 -25.787 25.130 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 27.057 -24.862 25.172 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 26.558 -26.246 25.526 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 27.813 -21.638 31.445 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 28.176 -20.783 31.212 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 28.345 -21.930 32.186 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 33.560 -24.610 20.220 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 33.913 -24.990 21.024 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 32.611 -24.703 20.306 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 34.016 -20.987 33.615 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 33.414 -21.542 33.120 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 34.297 -20.320 32.989 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 28.857 -32.633 23.844 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 29.669 -32.129 23.890 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 28.612 -32.778 24.758 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 29.741 -35.552 24.782 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 29.394 -34.934 25.427 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 30.399 -35.051 24.301 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 35.286 -20.733 29.582 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 35.130 -20.055 28.925 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 36.218 -20.661 29.785 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 25.597 -21.143 37.430 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 26.365 -21.602 37.771 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 25.576 -21.369 36.500 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 29.689 -21.635 18.805 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 29.045 -22.266 19.127 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 30.451 -22.166 18.573 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 20.907 -26.252 36.764 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.051 -27.154 36.478 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 20.134 -25.966 36.276 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 30.600 -24.861 18.632 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 30.332 -24.681 19.533 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 30.394 -25.787 18.501 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 21.739 -29.052 36.184 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 22.147 -29.909 36.063 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 21.479 -29.037 37.105 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 26.397 -27.936 21.202 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 25.938 -28.420 21.888 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 26.652 -28.604 20.566 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 25.686 -30.043 33.558 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 25.068 -29.368 33.839 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 26.030 -29.722 32.725 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.468 -29.693 19.465 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 27.288 -29.847 18.537 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 28.419 -29.585 19.509 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 26.026 -32.688 34.641 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 26.176 -33.417 34.038 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.028 -31.911 34.082 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 26.438 -34.318 32.133 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 26.974 -33.867 31.481 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 25.586 -34.426 31.711 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 28.020 -28.879 32.373 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 28.771 -29.035 31.800 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 27.681 -28.027 32.097 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.504 -31.490 36.552 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 23.737 -32.022 36.342 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 25.183 -31.800 35.953 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 27.244 -36.862 32.565 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 27.146 -35.915 32.459 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 26.501 -37.234 32.089 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 22.685 -33.569 36.257 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 22.896 -34.276 35.646 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.573 -34.007 37.101 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 22.125 -23.064 35.926 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 21.304 -22.889 35.466 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 21.873 -23.137 36.847 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.079 -22.089 32.185 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.654 -21.280 31.902 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 25.984 -22.004 31.883 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.390 -20.690 35.144 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 29.575 -21.024 36.022 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 30.237 -20.381 34.822 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 31.735 -19.405 34.388 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 32.412 -20.037 34.148 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 32.057 -19.003 35.196 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 24.948 -19.233 31.262 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 24.083 -19.161 31.666 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 24.893 -18.686 30.478 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 31.986 -20.467 31.383 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 31.082 -20.302 31.117 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 32.415 -19.614 31.317 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 34.591 -18.897 31.678 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 34.409 -17.981 31.467 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 34.767 -19.307 30.831 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 26.574 -21.030 28.646 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.787 -21.918 28.359 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 26.639 -21.064 29.601 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 26.989 -36.805 25.426 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 27.863 -36.417 25.396 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 26.853 -37.020 26.349 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.133 -34.725 22.316 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 28.311 -35.371 22.999 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.079 -33.891 22.783 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 22.367 -36.218 35.130 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 22.001 -36.983 35.573 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 23.280 -36.189 35.417 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 24.340 -36.867 36.666 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 25.239 -37.141 36.481 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 23.954 -37.610 37.130 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 20.323 -30.596 43.367 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 19.875 -29.750 43.349 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 19.762 -31.176 42.852 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.014 -25.164 41.783 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 20.742 -24.935 40.894 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.059 -24.326 42.243 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 19.660 -33.864 44.969 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 20.291 -33.893 45.689 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.110 -34.289 44.239 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 20.935 -33.118 40.393 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 21.409 -32.527 39.808 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 20.217 -32.587 40.740 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 21.626 -28.588 38.997 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 22.242 -27.961 39.376 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 20.764 -28.272 39.268 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 26.664 -21.187 40.710 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 26.825 -20.387 40.209 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 26.467 -20.880 41.595 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 23.657 -24.061 39.386 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 24.249 -23.362 39.662 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 24.116 -24.494 38.667 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 21.973 -31.397 38.502 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 21.928 -30.458 38.681 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 21.085 -31.633 38.232 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 22.781 -36.615 47.175 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 22.552 -36.556 46.248 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 22.338 -37.407 47.482 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 21.711 -22.675 43.336 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 20.879 -22.202 43.363 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 22.257 -22.165 42.737 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 27.366 -19.002 39.322 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 28.299 -18.844 39.466 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 27.102 -18.327 38.697 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 20.934 -24.366 38.805 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 21.848 -24.287 39.078 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 20.941 -25.053 38.138 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 19.583 -18.973 43.882 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 18.936 -19.435 43.349 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 19.938 -19.645 44.465 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 21.352 -34.234 47.170 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 21.797 -35.026 47.472 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 21.818 -33.518 47.601 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 19.656 -31.235 48.239 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 20.148 -31.456 47.449 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 20.018 -30.394 48.520 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 19.969 -34.977 42.294 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 19.044 -34.768 42.164 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 20.423 -34.493 41.604 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 19.933 -36.239 50.638 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 19.268 -36.485 51.281 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 19.490 -35.617 50.061 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 22.409 -36.732 44.469 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 21.632 -36.966 43.961 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 22.940 -37.529 44.477 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 21.246 -36.934 40.272 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 21.685 -36.323 39.681 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.612 -36.396 40.746 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 21.147 -20.986 41.170 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 20.462 -21.024 40.502 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 21.150 -20.073 41.458 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 23.107 -35.018 38.715 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 23.598 -35.648 38.187 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 23.730 -34.722 39.378 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 30.011 -19.776 39.567 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 30.877 -19.410 39.389 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 29.764 -20.216 38.754 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 22.965 -20.066 38.195 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 22.697 -19.779 39.068 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 23.736 -20.612 38.347 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 22.789 -9.850 11.727 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.831 -10.476 12.451 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 23.492 -9.227 11.909 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 20.323 -11.740 5.655 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 19.875 -10.894 5.637 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 19.762 -12.320 5.140 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 21.033 -9.578 7.781 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 21.247 -10.348 8.308 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 21.771 -9.489 7.178 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 25.106 -14.537 8.140 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 25.149 -13.677 7.722 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 24.648 -15.089 7.507 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 21.726 -12.140 8.902 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 22.380 -12.690 9.334 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.750 -12.414 7.986 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 23.916 -15.619 12.214 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 23.697 -15.089 11.448 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.248 -15.392 12.862 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 23.510 -13.727 10.167 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.123 -13.094 10.540 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 24.022 -14.199 9.510 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 23.427 -9.270 14.581 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 23.497 -8.619 15.279 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 22.536 -9.167 14.246 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 20.343 -7.203 13.406 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 19.842 -7.231 12.591 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 20.349 -8.109 13.716 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 25.211 -17.410 10.445 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 24.350 -17.497 10.037 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 25.189 -16.554 10.872 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 29.874 -17.688 13.819 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 30.294 -18.103 14.572 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 28.941 -17.866 13.936 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 25.302 -12.444 11.540 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 24.660 -12.485 12.249 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 25.339 -11.518 11.302 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.299 -12.223 6.452 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.406 -12.564 6.393 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 25.750 -12.600 5.696 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 29.937 -11.632 16.757 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 29.374 -12.336 17.077 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 30.763 -11.752 17.224 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 23.052 -12.124 13.407 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 23.014 -11.724 14.275 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 22.561 -12.941 13.497 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 20.935 -14.262 2.681 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.409 -13.671 2.096 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 20.217 -13.731 3.028 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 22.709 -13.167 6.365 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 21.820 -13.067 6.025 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 23.005 -14.009 6.019 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 24.203 -15.872 5.843 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 23.886 -16.774 5.808 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 24.984 -15.870 5.291 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 20.504 -9.651 14.608 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 20.727 -10.069 15.440 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 19.902 -10.264 14.186 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 27.521 -10.134 16.821 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 27.225 -10.300 15.926 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 28.452 -10.354 16.811 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.781 -17.759 9.463 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 22.552 -17.700 8.536 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 22.338 -18.551 9.770 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 20.907 -7.396 17.908 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 21.051 -8.298 17.622 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 20.134 -7.110 17.420 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.739 -10.196 17.328 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 22.147 -11.053 17.207 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 21.479 -10.181 18.249 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 25.686 -11.187 14.702 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 25.068 -10.512 14.983 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 26.030 -10.866 13.869 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 26.026 -13.832 15.785 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 26.176 -14.561 15.182 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 26.028 -13.055 15.226 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 26.438 -15.462 13.277 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.974 -15.011 12.625 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.586 -15.570 12.855 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 32.436 -12.208 18.545 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 32.628 -13.139 18.434 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 33.293 -11.783 18.535 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 24.504 -12.634 17.696 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 23.737 -13.166 17.486 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 25.183 -12.944 17.097 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 27.244 -18.006 13.709 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 27.146 -17.059 13.603 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 26.501 -18.378 13.233 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 28.508 -13.684 17.272 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 28.272 -13.904 18.174 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 27.725 -13.891 16.763 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 31.224 -14.557 16.348 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 30.276 -14.525 16.480 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 31.536 -15.182 17.002 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 32.858 -15.923 18.353 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 32.761 -16.875 18.347 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 32.536 -15.654 19.214 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 22.685 -14.713 17.401 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 22.896 -15.420 16.790 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 22.573 -15.151 18.245 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 27.466 -18.712 16.380 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 28.178 -19.352 16.366 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 27.365 -18.445 15.466 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 20.533 -8.961 10.426 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 20.717 -9.043 9.491 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 21.382 -9.085 10.850 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 19.656 -12.379 10.527 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 20.148 -12.600 9.737 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 20.018 -11.538 10.808 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 19.969 -16.121 4.582 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 19.044 -15.912 4.452 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 20.423 -15.637 3.892 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.409 -17.876 6.757 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 21.632 -18.110 6.249 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 22.940 -18.673 6.765 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 21.246 -18.078 2.560 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 21.685 -17.467 1.969 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 20.612 -17.540 3.034 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 32.762 -18.679 17.992 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 32.838 -19.105 18.846 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 33.655 -18.665 17.650 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 31.488 -8.720 25.571 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 31.577 -7.776 25.439 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 30.849 -8.995 24.913 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 30.421 -9.465 28.990 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 30.383 -10.111 29.695 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 30.098 -9.931 28.219 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 23.713 -5.400 29.118 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 23.343 -6.202 28.749 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 24.654 -5.569 29.165 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.323 -11.740 24.511 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 19.875 -10.894 24.493 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 19.762 -12.320 23.996 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 21.033 -9.578 26.637 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 21.247 -10.348 27.164 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 21.771 -9.489 26.034 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 28.810 -7.032 29.396 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 29.114 -7.718 28.802 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 29.532 -6.914 30.014 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 31.951 -12.638 29.724 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 32.094 -13.585 29.744 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 31.845 -12.431 28.795 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 32.828 -14.406 25.397 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 33.474 -14.735 26.022 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 33.338 -13.888 24.774 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 31.285 -6.119 24.614 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 30.989 -6.441 23.763 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 30.961 -5.219 24.656 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 26.485 -7.943 31.358 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.745 -7.345 31.461 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 27.199 -7.389 31.042 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 34.592 -15.115 27.378 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 34.377 -15.881 27.910 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 35.248 -14.643 27.891 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 24.893 -5.979 32.145 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 24.887 -5.100 31.767 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 24.039 -6.062 32.570 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 21.014 -6.308 22.927 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.742 -6.079 22.038 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 21.059 -5.470 23.387 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 34.939 -16.400 31.057 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 34.203 -15.789 31.019 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 35.623 -15.985 30.531 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 30.209 -9.476 23.023 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 29.497 -8.941 22.672 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 30.900 -9.420 22.363 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 30.263 -11.018 20.062 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 30.964 -10.996 20.713 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 30.565 -11.646 19.406 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 33.512 -11.092 33.043 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 33.592 -10.329 33.615 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 32.911 -10.813 32.352 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 26.627 -5.208 28.539 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 26.532 -5.786 27.782 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 27.356 -5.579 29.035 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 26.507 -5.468 34.208 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 26.195 -4.686 34.664 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 25.857 -5.621 33.522 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 20.343 -7.203 32.262 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 19.842 -7.231 31.447 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 20.349 -8.109 32.572 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 22.592 -5.880 33.305 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 22.809 -6.241 34.165 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 21.737 -6.254 33.095 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 33.200 -13.932 33.529 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 32.686 -14.058 34.326 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 33.045 -13.020 33.284 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 30.835 -11.807 24.125 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 30.426 -10.992 23.833 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 31.555 -11.947 23.510 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 29.937 -11.632 35.613 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 29.374 -12.336 35.933 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 30.763 -11.752 36.080 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 31.839 -12.361 26.939 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 31.644 -11.756 26.224 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 32.021 -13.195 26.504 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 31.103 -10.723 31.610 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 31.427 -11.354 30.967 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 30.663 -11.258 32.271 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 32.286 -15.561 29.658 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 31.609 -15.430 30.322 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 31.800 -15.716 28.848 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 23.171 -7.415 35.543 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 23.904 -7.161 36.104 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 22.391 -7.211 36.058 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 28.371 -7.407 22.380 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 27.627 -7.914 22.057 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 28.237 -7.358 23.326 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 32.269 -14.593 20.579 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 31.331 -14.481 20.428 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 32.566 -13.736 20.885 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 32.987 -12.726 22.240 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 33.879 -12.863 22.559 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 33.044 -11.935 21.703 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 20.504 -9.651 33.464 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 20.727 -10.069 34.296 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 19.902 -10.264 33.042 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 27.521 -10.134 35.677 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 27.225 -10.300 34.782 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 28.452 -10.354 35.667 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 33.328 -8.922 29.421 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 32.400 -9.154 29.394 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 33.779 -9.699 29.091 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 25.871 -4.594 25.554 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 26.398 -3.821 25.353 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.991 -4.369 25.252 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 21.626 -9.732 20.141 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 22.242 -9.105 20.520 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 20.764 -9.416 20.412 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 27.298 -6.931 25.130 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 27.057 -6.006 25.172 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 26.558 -7.390 25.526 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 26.588 -5.072 21.123 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 26.735 -5.592 21.913 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 26.585 -4.165 21.429 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 23.041 -7.819 21.633 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 22.355 -7.467 22.200 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.564 -7.056 21.387 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 31.657 -15.505 23.009 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 31.877 -15.033 22.206 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 32.215 -15.110 23.680 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 28.857 -13.777 23.844 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.669 -13.273 23.890 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 28.612 -13.922 24.758 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 29.393 -12.791 33.029 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 29.512 -12.217 33.786 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 30.048 -13.479 33.144 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 34.199 -11.133 27.960 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 33.402 -11.548 27.631 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 34.644 -11.824 28.451 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 23.657 -5.205 20.530 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.249 -4.506 20.806 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 24.116 -5.638 19.811 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 21.711 -3.819 24.480 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 20.879 -3.346 24.507 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 22.257 -3.309 23.881 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.907 -7.396 36.764 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.051 -8.298 36.478 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.134 -7.110 36.276 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 25.248 -7.052 18.896 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 25.312 -7.846 19.427 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 25.901 -7.171 18.207 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 27.562 -7.426 36.197 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 27.234 -7.155 35.339 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 27.714 -8.367 36.109 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 21.739 -10.196 36.184 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 22.147 -11.053 36.063 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 21.479 -10.181 37.105 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 26.397 -9.080 21.202 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 25.938 -9.564 21.888 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 26.652 -9.748 20.566 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 27.468 -10.837 19.465 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 27.288 -10.991 18.537 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 28.419 -10.729 19.509 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 30.706 -8.716 36.836 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 31.659 -8.632 36.808 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 30.546 -9.427 37.455 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 28.020 -10.023 32.373 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 28.771 -10.179 31.800 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 27.681 -9.171 32.097 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 32.436 -12.208 37.401 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 32.628 -13.139 37.290 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 33.293 -11.783 37.391 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 31.224 -14.557 35.204 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 30.276 -14.525 35.336 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 31.536 -15.182 35.858 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 32.858 -15.923 37.209 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 32.761 -16.875 37.203 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 32.536 -15.654 38.070 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 27.466 -18.712 35.236 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 28.178 -19.352 35.222 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 27.365 -18.445 34.322 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 20.533 -8.961 29.282 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 20.717 -9.043 28.347 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 21.382 -9.085 29.706 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 35.225 -18.403 27.903 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 35.829 -17.855 27.402 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 34.356 -18.083 27.663 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 32.546 -17.919 27.075 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 32.622 -17.824 26.126 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 32.270 -18.827 27.204 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 33.899 -17.893 22.768 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 33.196 -17.279 22.558 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 33.454 -18.731 22.899 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 20.323 -11.740 43.367 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 19.875 -10.894 43.349 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 19.762 -12.320 42.852 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 25.106 -14.537 45.852 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 25.149 -13.677 45.434 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 24.648 -15.089 45.219 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 30.209 -9.476 41.879 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 29.497 -8.941 41.528 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 30.900 -9.420 41.219 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 30.263 -11.018 38.918 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 30.964 -10.996 39.569 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 30.565 -11.646 38.262 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 24.250 -9.566 42.303 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 23.958 -8.798 41.812 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 23.576 -10.226 42.140 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 29.536 -15.195 38.816 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 29.282 -15.176 39.739 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 29.279 -16.067 38.515 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 25.299 -12.223 44.164 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 24.406 -12.564 44.105 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 25.750 -12.600 43.408 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 30.835 -11.807 42.981 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 30.426 -10.992 42.689 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 31.555 -11.947 42.366 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 20.935 -14.262 40.393 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 21.409 -13.671 39.808 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 20.217 -13.731 40.740 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 27.881 -14.796 45.250 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 26.970 -14.739 45.539 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 28.386 -14.856 46.061 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 22.709 -13.167 44.077 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 21.820 -13.067 43.737 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.005 -14.009 43.731 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 26.362 -13.167 41.733 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 27.294 -13.038 41.911 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 26.147 -12.497 41.084 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 24.203 -15.872 43.555 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 23.886 -16.774 43.520 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 24.984 -15.870 43.003 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 28.371 -7.407 41.236 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 27.627 -7.914 40.913 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 28.237 -7.358 42.182 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 32.269 -14.593 39.435 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 31.331 -14.481 39.284 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 32.566 -13.736 39.741 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 21.626 -9.732 38.997 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 22.242 -9.105 39.376 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 20.764 -9.416 39.268 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 23.041 -7.819 40.489 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 22.355 -7.467 41.056 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 23.564 -7.056 40.243 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 31.657 -15.505 41.865 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 31.877 -15.033 41.062 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 32.215 -15.110 42.536 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 28.857 -13.777 42.700 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 29.669 -13.273 42.746 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 28.612 -13.922 43.614 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 29.741 -16.696 43.638 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 29.394 -16.078 44.283 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 30.399 -16.195 43.157 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 25.248 -7.052 37.752 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 25.312 -7.846 38.283 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 25.901 -7.171 37.063 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 26.397 -9.080 40.058 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 25.938 -9.564 40.744 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 26.652 -9.748 39.422 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.969 -16.121 42.294 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 19.044 -15.912 42.164 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 20.423 -15.637 41.604 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 21.246 -18.078 40.272 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 21.685 -17.467 39.681 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 20.612 -17.540 40.746 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 26.989 -17.949 44.282 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 27.863 -17.561 44.252 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 26.853 -18.164 45.205 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 28.133 -15.869 41.172 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 28.311 -16.515 41.855 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 28.079 -15.035 41.639 0.00 0.00 WAT1 END