REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/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:10-Jun-2009 12:08:58 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.005 -21.702 8.477 1.00 30.35 ATOM 2 CB MET 1 1.873 -21.628 8.373 1.00 64.00 ATOM 3 HB1 MET 1 1.949 -20.917 7.562 1.00 37.05 ATOM 4 HB2 MET 1 1.058 -21.333 9.024 1.00 51.30 ATOM 5 CG MET 1 1.543 -22.999 7.807 1.00 70.45 ATOM 6 HG1 MET 1 0.962 -23.532 8.541 1.00 37.05 ATOM 7 HG2 MET 1 2.457 -23.541 7.604 1.00 45.40 ATOM 8 SD MET 1 0.588 -22.909 6.280 1.00 50.41 ATOM 9 CE MET 1 0.817 -24.565 5.638 1.00 30.12 ATOM 10 HE1 MET 1 0.170 -25.248 6.167 1.00 30.40 ATOM 11 HE2 MET 1 1.846 -24.865 5.773 1.00 11.42 ATOM 12 HE3 MET 1 0.573 -24.580 4.586 1.00 71.32 ATOM 13 C MET 1 3.319 -20.256 9.885 1.00 14.23 ATOM 14 O MET 1 2.911 -20.120 11.038 1.00 30.31 ATOM 15 N MET 1 3.240 -22.702 10.104 1.00 73.20 ATOM 16 HT1 MET 1 2.389 -22.723 10.708 1.00 37.05 ATOM 17 HT2 MET 1 4.079 -22.614 10.719 1.00 37.05 ATOM 18 HT3 MET 1 3.312 -23.585 9.602 1.00 37.05 ATOM 19 CA MET 1 3.184 -21.591 9.161 1.00 64.43 ATOM 20 N GLY 2 3.893 -19.271 9.201 1.00 64.20 ATOM 21 HN GLY 2 4.228 -19.458 8.295 1.00 37.05 ATOM 22 CA GLY 2 4.071 -17.960 9.796 1.00 2.41 ATOM 23 HA1 GLY 2 4.635 -18.059 10.714 1.00 37.05 ATOM 24 HA2 GLY 2 3.101 -17.542 10.026 1.00 53.12 ATOM 25 C GLY 2 4.806 -17.002 8.879 1.00 10.34 ATOM 26 O GLY 2 5.568 -16.151 9.340 1.00 22.41 ATOM 27 N HIS 3 4.579 -17.140 7.577 1.00 54.31 ATOM 28 HN HIS 3 3.940 -17.815 7.256 1.00 37.05 ATOM 29 CA HIS 3 5.226 -16.280 6.593 1.00 50.24 ATOM 30 HA HIS 3 5.363 -15.295 7.028 1.00 52.13 ATOM 31 CB HIS 3 6.587 -16.854 6.200 1.00 44.04 ATOM 32 HB1 HIS 3 6.889 -16.501 5.224 1.00 37.05 ATOM 33 HB2 HIS 3 6.510 -17.926 6.173 1.00 0.21 ATOM 34 CG HIS 3 7.684 -16.506 7.159 1.00 52.55 ATOM 35 ND1 HIS 3 8.383 -15.318 7.103 1.00 32.14 ATOM 36 HD1 HIS 3 8.242 -14.600 6.451 1.00 12.13 ATOM 37 CD2 HIS 3 8.200 -17.196 8.202 1.00 14.24 ATOM 38 HD2 HIS 3 7.889 -18.175 8.539 1.00 44.35 ATOM 39 CE1 HIS 3 9.282 -15.294 8.071 1.00 42.13 ATOM 40 HE1 HIS 3 9.973 -14.488 8.272 1.00 31.40 ATOM 41 NE2 HIS 3 9.191 -16.422 8.752 1.00 3.55 ATOM 42 HE2 HIS 3 9.680 -16.625 9.577 1.00 37.05 ATOM 43 C HIS 3 4.351 -16.119 5.353 1.00 64.02 ATOM 44 O HIS 3 3.250 -16.665 5.282 1.00 31.34 ATOM 45 N HIS 4 4.849 -15.365 4.377 1.00 33.52 ATOM 46 HN HIS 4 5.719 -14.919 4.494 1.00 37.05 ATOM 47 CA HIS 4 4.112 -15.133 3.140 1.00 43.31 ATOM 48 HA HIS 4 3.273 -15.818 3.086 1.00 34.24 ATOM 49 CB HIS 4 3.578 -13.701 3.101 1.00 12.34 ATOM 50 HB1 HIS 4 3.128 -13.509 2.135 1.00 37.05 ATOM 51 HB2 HIS 4 4.398 -13.015 3.252 1.00 50.41 ATOM 52 CG HIS 4 2.542 -13.420 4.146 1.00 1.32 ATOM 53 ND1 HIS 4 2.709 -12.474 5.136 1.00 30.42 ATOM 54 HD1 HIS 4 3.497 -11.904 5.257 1.00 73.32 ATOM 55 CD2 HIS 4 1.320 -13.965 4.351 1.00 42.12 ATOM 56 HD2 HIS 4 0.858 -14.743 3.759 1.00 43.24 ATOM 57 CE1 HIS 4 1.635 -12.452 5.906 1.00 43.45 ATOM 58 HE1 HIS 4 1.484 -11.811 6.762 1.00 72.51 ATOM 59 NE2 HIS 4 0.777 -13.346 5.450 1.00 62.40 ATOM 60 HE2 HIS 4 -0.138 -13.470 5.779 1.00 37.05 ATOM 61 C HIS 4 4.997 -15.391 1.924 1.00 2.21 ATOM 62 O HIS 4 6.213 -15.539 2.049 1.00 63.51 ATOM 63 N HIS 5 4.379 -15.444 0.749 1.00 51.55 ATOM 64 HN HIS 5 3.399 -15.329 0.713 1.00 37.05 ATOM 65 CA HIS 5 5.111 -15.684 -0.490 1.00 52.01 ATOM 66 HA HIS 5 6.019 -15.091 -0.465 1.00 50.12 ATOM 67 CB HIS 5 5.493 -17.160 -0.603 1.00 23.01 ATOM 68 HB1 HIS 5 6.079 -17.437 0.261 1.00 37.05 ATOM 69 HB2 HIS 5 6.086 -17.309 -1.494 1.00 4.54 ATOM 70 CG HIS 5 4.314 -18.081 -0.673 1.00 10.34 ATOM 71 ND1 HIS 5 3.770 -18.692 0.437 1.00 15.32 ATOM 72 HD1 HIS 5 4.088 -18.593 1.359 1.00 2.45 ATOM 73 CD2 HIS 5 3.573 -18.492 -1.728 1.00 62.12 ATOM 74 HD2 HIS 5 3.717 -18.208 -2.761 1.00 23.52 ATOM 75 CE1 HIS 5 2.746 -19.440 0.067 1.00 30.41 ATOM 76 HE1 HIS 5 2.128 -20.034 0.724 1.00 44.14 ATOM 77 NE2 HIS 5 2.605 -19.336 -1.242 1.00 64.41 ATOM 78 HE2 HIS 5 1.983 -19.862 -1.787 1.00 37.05 ATOM 79 C HIS 5 4.281 -15.267 -1.701 1.00 23.21 ATOM 80 O HIS 5 3.100 -15.599 -1.801 1.00 33.50 ATOM 81 N HIS 6 4.908 -14.537 -2.618 1.00 74.13 ATOM 82 HN HIS 6 5.861 -14.313 -2.492 1.00 37.05 ATOM 83 CA HIS 6 4.227 -14.075 -3.823 1.00 11.33 ATOM 84 HA HIS 6 3.194 -13.852 -3.566 1.00 53.33 ATOM 85 CB HIS 6 4.885 -12.798 -4.348 1.00 20.43 ATOM 86 HB1 HIS 6 4.490 -12.563 -5.330 1.00 37.05 ATOM 87 HB2 HIS 6 5.950 -12.956 -4.424 1.00 74.54 ATOM 88 CG HIS 6 4.661 -11.605 -3.471 1.00 55.45 ATOM 89 ND1 HIS 6 4.208 -10.394 -3.951 1.00 1.51 ATOM 90 HD1 HIS 6 3.993 -10.193 -4.886 1.00 41.14 ATOM 91 CD2 HIS 6 4.827 -11.441 -2.138 1.00 62.22 ATOM 92 HD2 HIS 6 5.171 -12.190 -1.438 1.00 20.30 ATOM 93 CE1 HIS 6 4.108 -9.536 -2.951 1.00 32.32 ATOM 94 HE1 HIS 6 3.779 -8.510 -3.029 1.00 3.34 ATOM 95 NE2 HIS 6 4.477 -10.147 -1.840 1.00 22.34 ATOM 96 HE2 HIS 6 4.410 -9.769 -0.938 1.00 37.05 ATOM 97 C HIS 6 4.244 -15.151 -4.903 1.00 74.45 ATOM 98 O HIS 6 5.274 -15.776 -5.157 1.00 5.35 ATOM 99 N HIS 7 3.095 -15.364 -5.538 1.00 31.54 ATOM 100 HN HIS 7 2.300 -14.832 -5.304 1.00 37.05 ATOM 101 CA HIS 7 2.978 -16.366 -6.591 1.00 73.23 ATOM 102 HA HIS 7 3.916 -16.910 -6.661 1.00 51.44 ATOM 103 CB HIS 7 1.867 -17.362 -6.256 1.00 23.42 ATOM 104 HB1 HIS 7 0.906 -16.961 -6.552 1.00 37.05 ATOM 105 HB2 HIS 7 1.858 -17.532 -5.188 1.00 40.22 ATOM 106 CG HIS 7 2.037 -18.694 -6.920 1.00 74.11 ATOM 107 ND1 HIS 7 2.349 -19.846 -6.229 1.00 3.51 ATOM 108 HD1 HIS 7 2.489 -19.913 -5.261 1.00 13.22 ATOM 109 CD2 HIS 7 1.933 -19.054 -8.221 1.00 23.12 ATOM 110 HD2 HIS 7 1.696 -18.402 -9.050 1.00 73.24 ATOM 111 CE1 HIS 7 2.433 -20.856 -7.076 1.00 14.11 ATOM 112 HE1 HIS 7 2.664 -21.879 -6.819 1.00 40.21 ATOM 113 NE2 HIS 7 2.184 -20.402 -8.291 1.00 70.42 ATOM 114 HE2 HIS 7 2.010 -20.966 -9.072 1.00 37.05 ATOM 115 C HIS 7 2.696 -15.707 -7.938 1.00 63.44 ATOM 116 O HIS 7 1.597 -15.206 -8.178 1.00 45.23 ATOM 117 N HIS 8 3.696 -15.712 -8.814 1.00 43.42 ATOM 118 HN HIS 8 4.551 -16.142 -8.573 1.00 37.05 ATOM 119 CA HIS 8 3.556 -15.114 -10.137 1.00 62.14 ATOM 120 HA HIS 8 2.874 -14.272 -10.069 1.00 43.32 ATOM 121 CB HIS 8 4.910 -14.612 -10.639 1.00 43.04 ATOM 122 HB1 HIS 8 4.856 -14.422 -11.705 1.00 37.05 ATOM 123 HB2 HIS 8 5.660 -15.367 -10.455 1.00 30.44 ATOM 124 CG HIS 8 5.361 -13.345 -9.981 1.00 0.25 ATOM 125 ND1 HIS 8 4.704 -12.142 -10.133 1.00 61.14 ATOM 126 HD1 HIS 8 3.899 -11.994 -10.671 1.00 41.21 ATOM 127 CD2 HIS 8 6.409 -13.098 -9.161 1.00 3.44 ATOM 128 HD2 HIS 8 7.142 -13.817 -8.823 1.00 3.10 ATOM 129 CE1 HIS 8 5.330 -11.210 -9.438 1.00 12.44 ATOM 130 HE1 HIS 8 5.041 -10.171 -9.370 1.00 30.21 ATOM 131 NE2 HIS 8 6.368 -11.764 -8.838 1.00 12.45 ATOM 132 HE2 HIS 8 6.946 -11.319 -8.184 1.00 37.05 ATOM 133 C HIS 8 2.973 -16.118 -11.128 1.00 4.32 ATOM 134 O HIS 8 1.813 -16.012 -11.523 1.00 54.33 ATOM 135 N SER 9 3.787 -17.091 -11.525 1.00 2.21 ATOM 136 HN SER 9 4.697 -17.157 -11.160 1.00 37.05 ATOM 137 CA SER 9 3.354 -18.111 -12.473 1.00 12.34 ATOM 138 HA SER 9 2.334 -17.910 -12.777 1.00 11.34 ATOM 139 CB SER 9 4.239 -18.087 -13.720 1.00 52.33 ATOM 140 HB1 SER 9 5.239 -18.416 -13.468 1.00 37.05 ATOM 141 HB2 SER 9 4.283 -17.078 -14.102 1.00 74.20 ATOM 142 OG SER 9 3.716 -18.930 -14.733 1.00 3.35 ATOM 143 HG SER 9 4.051 -19.823 -14.617 1.00 43.54 ATOM 144 C SER 9 3.392 -19.496 -11.835 1.00 32.21 ATOM 145 O SER 9 4.015 -19.695 -10.792 1.00 24.32 ATOM 146 N HIS 10 2.720 -20.452 -12.470 1.00 11.54 ATOM 147 HN HIS 10 2.250 -20.239 -13.311 1.00 37.05 ATOM 148 CA HIS 10 2.676 -21.820 -11.966 1.00 5.45 ATOM 149 HA HIS 10 2.849 -21.802 -10.896 1.00 52.31 ATOM 150 CB HIS 10 1.296 -22.431 -12.208 1.00 24.30 ATOM 151 HB1 HIS 10 1.047 -22.338 -13.255 1.00 37.05 ATOM 152 HB2 HIS 10 0.565 -21.896 -11.621 1.00 34.43 ATOM 153 CG HIS 10 1.210 -23.881 -11.840 1.00 4.53 ATOM 154 ND1 HIS 10 0.272 -24.738 -12.374 1.00 24.51 ATOM 155 HD1 HIS 10 -0.416 -24.498 -13.029 1.00 63.24 ATOM 156 CD2 HIS 10 1.954 -24.623 -10.986 1.00 12.41 ATOM 157 HD2 HIS 10 2.782 -24.273 -10.386 1.00 12.23 ATOM 158 CE1 HIS 10 0.441 -25.945 -11.863 1.00 63.13 ATOM 159 HE1 HIS 10 -0.150 -26.818 -12.097 1.00 4.32 ATOM 160 NE2 HIS 10 1.456 -25.902 -11.019 1.00 13.25 ATOM 161 HE2 HIS 10 1.736 -26.637 -10.434 1.00 37.05 ATOM 162 C HIS 10 3.750 -22.677 -12.629 1.00 32.31 ATOM 163 O HIS 10 3.747 -22.860 -13.846 1.00 22.12 ATOM 164 N MET 11 4.666 -23.200 -11.820 1.00 41.14 ATOM 165 HN MET 11 4.611 -23.033 -10.849 1.00 37.05 ATOM 166 CA MET 11 5.745 -24.039 -12.330 1.00 0.52 ATOM 167 HA MET 11 5.939 -23.720 -13.342 1.00 63.40 ATOM 168 CB MET 11 7.018 -23.822 -11.510 1.00 24.22 ATOM 169 HB1 MET 11 7.022 -24.466 -10.645 1.00 37.05 ATOM 170 HB2 MET 11 7.023 -22.795 -11.162 1.00 31.13 ATOM 171 CG MET 11 8.296 -24.028 -12.307 1.00 25.35 ATOM 172 HG1 MET 11 9.129 -23.677 -11.716 1.00 37.05 ATOM 173 HG2 MET 11 8.240 -23.453 -13.221 1.00 23.00 ATOM 174 SD MET 11 8.580 -25.758 -12.729 1.00 24.12 ATOM 175 CE MET 11 8.452 -26.526 -11.116 1.00 3.24 ATOM 176 HE1 MET 11 8.979 -27.466 -11.130 1.00 44.01 ATOM 177 HE2 MET 11 7.416 -26.692 -10.885 1.00 34.42 ATOM 178 HE3 MET 11 8.894 -25.879 -10.381 1.00 71.14 ATOM 179 C MET 11 5.350 -25.512 -12.298 1.00 11.51 ATOM 180 O MET 11 4.993 -26.061 -11.256 1.00 14.35 ATOM 181 N PRO 12 5.414 -26.168 -13.466 1.00 4.11 ATOM 182 CA PRO 12 5.067 -27.586 -13.597 1.00 61.01 ATOM 183 HA PRO 12 4.080 -27.791 -13.205 1.00 30.25 ATOM 184 CB PRO 12 5.073 -27.814 -15.111 1.00 24.12 ATOM 185 HB1 PRO 12 4.073 -27.676 -15.493 1.00 37.05 ATOM 186 HB2 PRO 12 5.414 -28.812 -15.357 1.00 20.52 ATOM 187 CG PRO 12 5.992 -26.771 -15.647 1.00 53.12 ATOM 188 HG1 PRO 12 5.711 -26.519 -16.659 1.00 37.05 ATOM 189 HG2 PRO 12 7.011 -27.129 -15.617 1.00 32.12 ATOM 190 CD PRO 12 5.832 -25.576 -14.748 1.00 73.31 ATOM 191 HD1 PRO 12 5.065 -24.921 -15.134 1.00 37.05 ATOM 192 HD2 PRO 12 6.762 -25.049 -14.670 1.00 41.32 ATOM 193 C PRO 12 6.083 -28.497 -12.917 1.00 24.00 ATOM 194 O PRO 12 7.002 -29.006 -13.559 1.00 23.10 ATOM 195 N ASP 13 5.912 -28.699 -11.615 1.00 40.42 ATOM 196 HN ASP 13 5.140 -28.277 -11.173 1.00 37.05 ATOM 197 CA ASP 13 6.814 -29.550 -10.848 1.00 72.11 ATOM 198 HA ASP 13 7.770 -29.068 -10.804 1.00 4.22 ATOM 199 CB ASP 13 6.292 -29.727 -9.421 1.00 43.32 ATOM 200 HB1 ASP 13 7.082 -30.130 -8.804 1.00 37.05 ATOM 201 HB2 ASP 13 5.455 -30.415 -9.422 1.00 30.22 ATOM 202 CG ASP 13 5.827 -28.420 -8.809 1.00 23.12 ATOM 203 OD1 ASP 13 4.702 -28.386 -8.267 1.00 44.50 ATOM 204 OD2 ASP 13 6.589 -27.432 -8.871 1.00 35.45 ATOM 205 C ASP 13 6.975 -30.912 -11.516 1.00 40.12 ATOM 206 O ASP 13 5.991 -31.587 -11.818 1.00 74.43 ATOM 207 N HIS 14 8.223 -31.309 -11.745 1.00 73.15 ATOM 208 HN HIS 14 8.974 -30.731 -11.469 1.00 37.05 ATOM 209 CA HIS 14 8.513 -32.591 -12.379 1.00 10.43 ATOM 210 HA HIS 14 7.798 -32.737 -13.185 1.00 12.13 ATOM 211 CB HIS 14 9.921 -32.582 -12.974 1.00 42.22 ATOM 212 HB1 HIS 14 10.654 -32.623 -12.179 1.00 37.05 ATOM 213 HB2 HIS 14 10.060 -31.666 -13.531 1.00 14.50 ATOM 214 CG HIS 14 10.184 -33.723 -13.908 1.00 53.33 ATOM 215 ND1 HIS 14 10.747 -34.914 -13.502 1.00 2.22 ATOM 216 HD1 HIS 14 11.027 -35.133 -12.589 1.00 12.10 ATOM 217 CD2 HIS 14 9.955 -33.850 -15.236 1.00 73.42 ATOM 218 HD2 HIS 14 9.518 -33.104 -15.885 1.00 22.52 ATOM 219 CE1 HIS 14 10.855 -35.724 -14.540 1.00 21.15 ATOM 220 HE1 HIS 14 11.261 -36.725 -14.521 1.00 63.33 ATOM 221 NE2 HIS 14 10.381 -35.103 -15.604 1.00 52.13 ATOM 222 HE2 HIS 14 10.257 -35.510 -16.487 1.00 37.05 ATOM 223 C HIS 14 8.378 -33.734 -11.378 1.00 24.13 ATOM 224 O HIS 14 9.266 -33.962 -10.557 1.00 44.03 ATOM 225 N GLY 15 7.260 -34.450 -11.451 1.00 64.20 ATOM 226 HN GLY 15 6.577 -34.219 -12.125 1.00 37.05 ATOM 227 CA GLY 15 7.030 -35.560 -10.545 1.00 72.43 ATOM 228 HA1 GLY 15 6.877 -35.172 -9.548 1.00 37.05 ATOM 229 HA2 GLY 15 7.902 -36.204 -10.539 1.00 1.11 ATOM 230 C GLY 15 5.825 -36.390 -10.941 1.00 35.44 ATOM 231 O GLY 15 5.961 -37.419 -11.603 1.00 51.12 ATOM 232 N ASP 16 4.642 -35.945 -10.532 1.00 53.52 ATOM 233 HN ASP 16 4.591 -35.121 -9.992 1.00 37.05 ATOM 234 CA ASP 16 3.407 -36.654 -10.847 1.00 51.32 ATOM 235 HA ASP 16 3.608 -37.371 -11.638 1.00 21.24 ATOM 236 CB ASP 16 2.896 -37.404 -9.616 1.00 43.10 ATOM 237 HB1 ASP 16 1.832 -37.585 -9.711 1.00 37.05 ATOM 238 HB2 ASP 16 3.072 -36.806 -8.733 1.00 34.10 ATOM 239 CG ASP 16 3.579 -38.745 -9.431 1.00 2.34 ATOM 240 OD1 ASP 16 3.983 -39.052 -8.290 1.00 11.44 ATOM 241 OD2 ASP 16 3.711 -39.487 -10.427 1.00 12.23 ATOM 242 C ASP 16 2.338 -35.688 -11.349 1.00 3.40 ATOM 243 O ASP 16 1.944 -34.761 -10.641 1.00 43.43 ATOM 244 N TRP 17 1.875 -35.911 -12.573 1.00 52.43 ATOM 245 HN TRP 17 2.215 -36.679 -13.091 1.00 37.05 ATOM 246 CA TRP 17 0.852 -35.059 -13.170 1.00 43.32 ATOM 247 HA TRP 17 0.901 -34.076 -12.711 1.00 54.14 ATOM 248 CB TRP 17 1.094 -34.914 -14.674 1.00 34.33 ATOM 249 HB1 TRP 17 0.165 -34.657 -15.171 1.00 37.05 ATOM 250 HB2 TRP 17 1.454 -35.853 -15.070 1.00 33.43 ATOM 251 CG TRP 17 2.100 -33.858 -15.015 1.00 3.20 ATOM 252 CD1 TRP 17 3.322 -33.672 -14.434 1.00 64.13 ATOM 253 HD1 TRP 17 3.717 -34.284 -13.637 1.00 70.01 ATOM 254 CD2 TRP 17 1.970 -32.841 -16.014 1.00 41.13 ATOM 255 NE1 TRP 17 3.960 -32.601 -15.013 1.00 12.15 ATOM 256 HE1 TRP 17 4.849 -32.269 -14.769 1.00 34.33 ATOM 257 CE2 TRP 17 3.152 -32.074 -15.985 1.00 74.41 ATOM 258 CE3 TRP 17 0.972 -32.504 -16.932 1.00 73.54 ATOM 259 HE3 TRP 17 0.052 -33.066 -16.987 1.00 40.51 ATOM 260 CZ2 TRP 17 3.358 -30.993 -16.838 1.00 23.24 ATOM 261 HZ2 TRP 17 4.266 -30.409 -16.811 1.00 0.42 ATOM 262 CZ3 TRP 17 1.178 -31.431 -17.778 1.00 3.14 ATOM 263 HZ3 TRP 17 0.417 -31.156 -18.493 1.00 54.34 ATOM 264 CH2 TRP 17 2.364 -30.686 -17.726 1.00 60.13 ATOM 265 HH2 TRP 17 2.482 -29.855 -18.405 1.00 43.31 ATOM 266 C TRP 17 -0.541 -35.623 -12.918 1.00 75.13 ATOM 267 O TRP 17 -1.297 -35.097 -12.100 1.00 73.35 ATOM 268 N THR 18 -0.877 -36.698 -13.626 1.00 12.52 ATOM 269 HN THR 18 -0.234 -37.098 -14.255 1.00 37.05 ATOM 270 CA THR 18 -2.181 -37.333 -13.479 1.00 43.53 ATOM 271 HA THR 18 -2.727 -36.859 -12.670 1.00 74.34 ATOM 272 CB THR 18 -3.022 -37.192 -14.762 1.00 44.21 ATOM 273 HB THR 18 -3.985 -37.659 -14.612 1.00 1.32 ATOM 274 OG1 THR 18 -2.359 -37.836 -15.856 1.00 22.34 ATOM 275 HG1 THR 18 -1.505 -37.422 -16.038 1.00 52.01 ATOM 276 CG2 THR 18 -3.256 -35.727 -15.097 1.00 52.43 ATOM 277 HG21 THR 18 -3.783 -35.248 -14.284 1.00 54.43 ATOM 278 HG22 THR 18 -3.848 -35.656 -15.998 1.00 12.35 ATOM 279 HG23 THR 18 -2.307 -35.234 -15.252 1.00 45.14 ATOM 280 C THR 18 -2.037 -38.812 -13.139 1.00 43.54 ATOM 281 O THR 18 -0.924 -39.324 -13.014 1.00 73.20 ATOM 282 N TYR 19 -3.168 -39.493 -12.992 1.00 44.41 ATOM 283 HN TYR 19 -4.017 -39.012 -13.021 1.00 37.05 ATOM 284 CA TYR 19 -3.167 -40.913 -12.665 1.00 30.51 ATOM 285 HA TYR 19 -2.778 -41.016 -11.660 1.00 43.31 ATOM 286 CB TYR 19 -4.593 -41.466 -12.696 1.00 60.13 ATOM 287 HB1 TYR 19 -5.199 -40.902 -11.998 1.00 37.05 ATOM 288 HB2 TYR 19 -4.578 -42.503 -12.381 1.00 34.43 ATOM 289 CG TYR 19 -5.244 -41.384 -14.058 1.00 54.42 ATOM 290 CD1 TYR 19 -5.284 -42.489 -14.899 1.00 65.03 ATOM 291 HD1 TYR 19 -4.842 -43.420 -14.570 1.00 3.31 ATOM 292 CD2 TYR 19 -5.820 -40.200 -14.505 1.00 21.44 ATOM 293 HD2 TYR 19 -5.810 -39.330 -13.868 1.00 14.44 ATOM 294 CE1 TYR 19 -5.877 -42.418 -16.145 1.00 30.32 ATOM 295 HE1 TYR 19 -5.898 -43.289 -16.784 1.00 62.45 ATOM 296 CE2 TYR 19 -6.417 -40.121 -15.748 1.00 2.12 ATOM 297 HE2 TYR 19 -6.860 -39.192 -16.076 1.00 33.23 ATOM 298 CZ TYR 19 -6.443 -41.232 -16.564 1.00 63.33 ATOM 299 OH TYR 19 -7.035 -41.157 -17.804 1.00 51.20 ATOM 300 HH TYR 19 -6.477 -40.652 -18.403 1.00 50.23 ATOM 301 C TYR 19 -2.285 -41.695 -13.634 1.00 31.33 ATOM 302 O TYR 19 -2.458 -41.615 -14.849 1.00 60.13 ATOM 303 N GLU 20 -1.340 -42.452 -13.085 1.00 2.35 ATOM 304 HN GLU 20 -1.239 -42.469 -12.103 1.00 37.05 ATOM 305 CA GLU 20 -0.430 -43.248 -13.900 1.00 33.33 ATOM 306 HA GLU 20 -0.958 -43.582 -14.786 1.00 33.52 ATOM 307 CB GLU 20 0.776 -42.409 -14.326 1.00 22.15 ATOM 308 HB1 GLU 20 1.523 -43.044 -14.782 1.00 37.05 ATOM 309 HB2 GLU 20 1.202 -41.947 -13.448 1.00 1.11 ATOM 310 CG GLU 20 0.433 -41.309 -15.316 1.00 65.22 ATOM 311 HG1 GLU 20 -0.085 -40.524 -14.801 1.00 37.05 ATOM 312 HG2 GLU 20 -0.209 -41.714 -16.087 1.00 63.01 ATOM 313 CD GLU 20 1.662 -40.718 -15.979 1.00 42.24 ATOM 314 OE1 GLU 20 1.838 -40.929 -17.198 1.00 32.42 ATOM 315 OE2 GLU 20 2.448 -40.044 -15.281 1.00 32.11 ATOM 316 C GLU 20 0.039 -44.485 -13.140 1.00 25.41 ATOM 317 O GLU 20 -0.403 -44.744 -12.021 1.00 52.03 ATOM 318 N GLU 21 0.938 -45.246 -13.757 1.00 43.11 ATOM 319 HN GLU 21 1.225 -45.017 -14.670 1.00 37.05 ATOM 320 CA GLU 21 1.467 -46.457 -13.139 1.00 51.55 ATOM 321 HA GLU 21 0.648 -47.158 -13.045 1.00 44.31 ATOM 322 CB GLU 21 2.563 -47.066 -14.016 1.00 71.20 ATOM 323 HB1 GLU 21 3.524 -46.642 -13.751 1.00 37.05 ATOM 324 HB2 GLU 21 2.354 -46.816 -15.050 1.00 32.44 ATOM 325 CG GLU 21 2.664 -48.578 -13.901 1.00 12.10 ATOM 326 HG1 GLU 21 1.695 -48.989 -13.644 1.00 37.05 ATOM 327 HG2 GLU 21 3.370 -48.818 -13.121 1.00 54.53 ATOM 328 CD GLU 21 3.132 -49.231 -15.187 1.00 1.11 ATOM 329 OE1 GLU 21 2.541 -50.258 -15.581 1.00 41.30 ATOM 330 OE2 GLU 21 4.090 -48.714 -15.799 1.00 62.11 ATOM 331 C GLU 21 2.019 -46.161 -11.748 1.00 10.11 ATOM 332 O GLU 21 2.163 -45.002 -11.360 1.00 54.10 ATOM 333 N GLN 22 2.326 -47.218 -11.003 1.00 14.24 ATOM 334 HN GLN 22 2.165 -48.121 -11.357 1.00 37.05 ATOM 335 CA GLN 22 2.860 -47.072 -9.654 1.00 4.40 ATOM 336 HA GLN 22 2.125 -46.541 -9.061 1.00 40.21 ATOM 337 CB GLN 22 3.119 -48.446 -9.034 1.00 4.44 ATOM 338 HB1 GLN 22 3.995 -48.401 -8.405 1.00 37.05 ATOM 339 HB2 GLN 22 3.317 -49.155 -9.829 1.00 22.53 ATOM 340 CG GLN 22 1.948 -48.979 -8.225 1.00 54.22 ATOM 341 HG1 GLN 22 1.983 -50.058 -8.245 1.00 37.05 ATOM 342 HG2 GLN 22 1.018 -48.648 -8.668 1.00 41.44 ATOM 343 CD GLN 22 1.983 -48.528 -6.778 1.00 44.34 ATOM 344 OE1 GLN 22 1.006 -47.987 -6.260 1.00 51.13 ATOM 345 NE2 GLN 22 3.114 -48.748 -6.117 1.00 35.40 ATOM 346 HE21 GLN 22 3.865 -49.191 -6.567 1.00 25.04 ATOM 347 HE22 GLN 22 3.155 -48.452 -5.184 1.00 34.22 ATOM 348 C GLN 22 4.148 -46.254 -9.665 1.00 21.53 ATOM 349 O GLN 22 4.786 -46.096 -10.706 1.00 24.15 ATOM 350 N PHE 23 4.524 -45.737 -8.500 1.00 24.01 ATOM 351 HN PHE 23 3.981 -45.910 -7.694 1.00 37.05 ATOM 352 CA PHE 23 5.736 -44.935 -8.375 1.00 54.44 ATOM 353 HA PHE 23 5.967 -44.518 -9.349 1.00 54.14 ATOM 354 CB PHE 23 5.517 -43.794 -7.379 1.00 50.25 ATOM 355 HB1 PHE 23 5.874 -44.070 -6.394 1.00 37.05 ATOM 356 HB2 PHE 23 4.455 -43.593 -7.309 1.00 70.44 ATOM 357 CG PHE 23 6.176 -42.507 -7.787 1.00 62.44 ATOM 358 CD1 PHE 23 5.865 -41.908 -8.997 1.00 44.42 ATOM 359 HD1 PHE 23 5.140 -42.371 -9.653 1.00 14.44 ATOM 360 CD2 PHE 23 7.106 -41.897 -6.961 1.00 20.51 ATOM 361 HD2 PHE 23 7.359 -42.353 -6.014 1.00 10.34 ATOM 362 CE1 PHE 23 6.471 -40.724 -9.375 1.00 62.32 ATOM 363 HE1 PHE 23 6.221 -40.267 -10.321 1.00 41.54 ATOM 364 CE2 PHE 23 7.715 -40.714 -7.333 1.00 52.24 ATOM 365 HE2 PHE 23 8.439 -40.252 -6.696 1.00 44.12 ATOM 366 CZ PHE 23 7.396 -40.126 -8.542 1.00 0.02 ATOM 367 HZ PHE 23 7.870 -39.201 -8.836 1.00 51.31 ATOM 368 C PHE 23 6.915 -45.795 -7.930 1.00 15.12 ATOM 369 O PHE 23 7.110 -46.031 -6.737 1.00 44.04 ATOM 370 N LYS 24 7.697 -46.262 -8.897 1.00 2.23 ATOM 371 HN LYS 24 7.493 -46.033 -9.836 1.00 37.05 ATOM 372 CA LYS 24 8.858 -47.096 -8.607 1.00 13.53 ATOM 373 HA LYS 24 8.548 -47.871 -7.914 1.00 54.24 ATOM 374 CB LYS 24 9.377 -47.747 -9.890 1.00 72.24 ATOM 375 HB1 LYS 24 10.080 -47.080 -10.375 1.00 37.05 ATOM 376 HB2 LYS 24 8.545 -47.904 -10.567 1.00 71.14 ATOM 377 CG LYS 24 10.076 -49.075 -9.658 1.00 61.54 ATOM 378 HG1 LYS 24 10.618 -49.043 -8.721 1.00 37.05 ATOM 379 HG2 LYS 24 10.777 -49.229 -10.466 1.00 2.21 ATOM 380 CD LYS 24 9.086 -50.227 -9.619 1.00 30.40 ATOM 381 HD1 LYS 24 8.310 -50.069 -10.358 1.00 37.05 ATOM 382 HD2 LYS 24 8.642 -50.272 -8.636 1.00 34.23 ATOM 383 CE LYS 24 9.766 -51.557 -9.909 1.00 52.21 ATOM 384 HE1 LYS 24 9.118 -52.352 -9.571 1.00 37.05 ATOM 385 HE2 LYS 24 10.704 -51.611 -9.371 1.00 45.42 ATOM 386 NZ LYS 24 10.028 -51.740 -11.364 1.00 11.14 ATOM 387 HZ1 LYS 24 9.137 -51.696 -11.902 1.00 4.31 ATOM 388 HZ2 LYS 24 10.469 -52.667 -11.530 1.00 75.31 ATOM 389 HZ3 LYS 24 10.670 -51.000 -11.714 1.00 62.45 ATOM 390 C LYS 24 9.967 -46.276 -7.955 1.00 63.14 ATOM 391 O LYS 24 10.876 -46.828 -7.336 1.00 63.23 ATOM 392 N GLN 25 9.885 -44.957 -8.099 1.00 32.33 ATOM 393 HN GLN 25 9.168 -44.565 -8.643 1.00 37.05 ATOM 394 CA GLN 25 10.882 -44.063 -7.523 1.00 63.01 ATOM 395 HA GLN 25 11.812 -44.248 -8.039 1.00 72.12 ATOM 396 CB GLN 25 10.459 -42.605 -7.710 1.00 11.04 ATOM 397 HB1 GLN 25 9.878 -42.283 -6.857 1.00 37.05 ATOM 398 HB2 GLN 25 9.843 -42.522 -8.596 1.00 31.45 ATOM 399 CG GLN 25 11.629 -41.647 -7.869 1.00 72.54 ATOM 400 HG1 GLN 25 12.241 -41.696 -6.979 1.00 37.05 ATOM 401 HG2 GLN 25 11.239 -40.645 -7.979 1.00 4.43 ATOM 402 CD GLN 25 12.482 -41.965 -9.082 1.00 33.43 ATOM 403 OE1 GLN 25 12.083 -41.714 -10.219 1.00 54.11 ATOM 404 NE2 GLN 25 13.664 -42.521 -8.845 1.00 21.43 ATOM 405 HE21 GLN 25 13.933 -42.701 -7.916 1.00 23.13 ATOM 406 HE22 GLN 25 14.230 -42.733 -9.617 1.00 24.13 ATOM 407 C GLN 25 11.089 -44.359 -6.041 1.00 73.43 ATOM 408 O GLN 25 12.216 -44.567 -5.590 1.00 12.21 ATOM 409 N LEU 26 9.994 -44.377 -5.289 1.00 21.42 ATOM 410 HN LEU 26 9.118 -44.200 -5.709 1.00 37.05 ATOM 411 CA LEU 26 10.055 -44.648 -3.857 1.00 33.34 ATOM 412 HA LEU 26 10.598 -43.849 -3.403 1.00 44.45 ATOM 413 CB LEU 26 8.644 -44.705 -3.268 1.00 71.42 ATOM 414 HB1 LEU 26 8.671 -45.297 -2.362 1.00 37.05 ATOM 415 HB2 LEU 26 8.002 -45.210 -3.979 1.00 54.20 ATOM 416 CG LEU 26 8.008 -43.360 -2.918 1.00 55.24 ATOM 417 HG LEU 26 7.948 -42.755 -3.811 1.00 44.11 ATOM 418 CD1 LEU 26 6.595 -43.558 -2.391 1.00 71.31 ATOM 419 HD11 LEU 26 6.152 -42.596 -2.171 1.00 2.32 ATOM 420 HD12 LEU 26 6.621 -44.155 -1.490 1.00 33.42 ATOM 421 HD13 LEU 26 5.997 -44.062 -3.138 1.00 55.21 ATOM 422 CD2 LEU 26 8.859 -42.616 -1.900 1.00 42.32 ATOM 423 HD21 LEU 26 9.206 -43.293 -1.130 1.00 22.54 ATOM 424 HD22 LEU 26 8.279 -41.824 -1.442 1.00 2.11 ATOM 425 HD23 LEU 26 9.703 -42.177 -2.404 1.00 5.43 ATOM 426 C LEU 26 10.787 -45.958 -3.580 1.00 55.25 ATOM 427 O LEU 26 11.435 -46.112 -2.545 1.00 73.11 ATOM 428 N TYR 27 10.680 -46.897 -4.514 1.00 1.12 ATOM 429 HN TYR 27 10.142 -46.733 -5.314 1.00 37.05 ATOM 430 CA TYR 27 11.332 -48.194 -4.371 1.00 55.51 ATOM 431 HA TYR 27 11.292 -48.488 -3.327 1.00 62.31 ATOM 432 CB TYR 27 10.605 -49.248 -5.208 1.00 11.30 ATOM 433 HB1 TYR 27 11.213 -50.145 -5.263 1.00 37.05 ATOM 434 HB2 TYR 27 10.457 -48.868 -6.205 1.00 64.33 ATOM 435 CG TYR 27 9.250 -49.630 -4.657 1.00 13.21 ATOM 436 CD1 TYR 27 9.002 -50.918 -4.198 1.00 41.42 ATOM 437 HD1 TYR 27 9.790 -51.648 -4.248 1.00 52.40 ATOM 438 CD2 TYR 27 8.217 -48.702 -4.594 1.00 21.11 ATOM 439 HD2 TYR 27 8.376 -47.700 -4.949 1.00 3.25 ATOM 440 CE1 TYR 27 7.765 -51.271 -3.695 1.00 23.03 ATOM 441 HE1 TYR 27 7.586 -52.273 -3.345 1.00 41.45 ATOM 442 CE2 TYR 27 6.977 -49.046 -4.091 1.00 24.35 ATOM 443 HE2 TYR 27 6.187 -48.310 -4.051 1.00 31.42 ATOM 444 CZ TYR 27 6.756 -50.332 -3.643 1.00 3.03 ATOM 445 OH TYR 27 5.523 -50.680 -3.140 1.00 43.34 ATOM 446 HH TYR 27 5.584 -50.821 -2.190 1.00 10.40 ATOM 447 C TYR 27 12.796 -48.116 -4.790 1.00 64.33 ATOM 448 O TYR 27 13.644 -48.829 -4.255 1.00 24.13 ATOM 449 N GLU 28 13.085 -47.245 -5.752 1.00 12.21 ATOM 450 HN GLU 28 12.371 -46.714 -6.163 1.00 37.05 ATOM 451 CA GLU 28 14.447 -47.074 -6.244 1.00 11.04 ATOM 452 HA GLU 28 15.018 -47.971 -6.029 1.00 72.20 ATOM 453 CB GLU 28 14.443 -46.857 -7.758 1.00 74.43 ATOM 454 HB1 GLU 28 15.449 -46.617 -8.085 1.00 37.05 ATOM 455 HB2 GLU 28 13.791 -46.028 -7.989 1.00 42.43 ATOM 456 CG GLU 28 13.970 -48.068 -8.545 1.00 35.21 ATOM 457 HG1 GLU 28 12.934 -48.255 -8.305 1.00 37.05 ATOM 458 HG2 GLU 28 14.564 -48.925 -8.261 1.00 14.23 ATOM 459 CD GLU 28 14.093 -47.875 -10.044 1.00 2.22 ATOM 460 OE1 GLU 28 14.088 -46.711 -10.495 1.00 1.51 ATOM 461 OE2 GLU 28 14.195 -48.889 -10.766 1.00 4.13 ATOM 462 C GLU 28 15.131 -45.898 -5.553 1.00 23.04 ATOM 463 O GLU 28 15.973 -45.221 -6.143 1.00 45.54 ATOM 464 N LEU 29 14.763 -45.661 -4.298 1.00 65.13 ATOM 465 HN LEU 29 14.120 -46.244 -3.853 1.00 37.05 ATOM 466 CA LEU 29 15.341 -44.567 -3.525 1.00 52.24 ATOM 467 HA LEU 29 15.408 -43.696 -4.164 1.00 45.20 ATOM 468 CB LEU 29 14.452 -44.240 -2.324 1.00 74.03 ATOM 469 HB1 LEU 29 15.028 -43.643 -1.624 1.00 37.05 ATOM 470 HB2 LEU 29 14.197 -45.172 -1.842 1.00 42.32 ATOM 471 CG LEU 29 13.159 -43.483 -2.632 1.00 61.32 ATOM 472 HG LEU 29 12.617 -44.029 -3.364 1.00 55.11 ATOM 473 CD1 LEU 29 12.301 -43.362 -1.383 1.00 32.34 ATOM 474 HD11 LEU 29 11.441 -42.767 -1.594 1.00 21.14 ATOM 475 HD12 LEU 29 12.862 -42.896 -0.597 1.00 64.41 ATOM 476 HD13 LEU 29 11.988 -44.340 -1.060 1.00 72.34 ATOM 477 CD2 LEU 29 13.470 -42.107 -3.203 1.00 73.44 ATOM 478 HD21 LEU 29 13.760 -42.215 -4.237 1.00 71.33 ATOM 479 HD22 LEU 29 14.279 -41.648 -2.662 1.00 52.32 ATOM 480 HD23 LEU 29 12.595 -41.472 -3.150 1.00 44.53 ATOM 481 C LEU 29 16.747 -44.918 -3.051 1.00 22.02 ATOM 482 O LEU 29 17.693 -44.159 -3.265 1.00 31.32 ATOM 483 N ASP 30 16.878 -46.073 -2.408 1.00 34.12 ATOM 484 HN ASP 30 16.084 -46.630 -2.247 1.00 37.05 ATOM 485 CA ASP 30 18.169 -46.527 -1.906 1.00 23.03 ATOM 486 HA ASP 30 18.921 -45.777 -2.121 1.00 53.11 ATOM 487 CB ASP 30 18.109 -46.730 -0.391 1.00 71.41 ATOM 488 HB1 ASP 30 17.386 -47.500 -0.160 1.00 37.05 ATOM 489 HB2 ASP 30 17.801 -45.806 0.075 1.00 11.53 ATOM 490 CG ASP 30 19.449 -47.133 0.193 1.00 73.41 ATOM 491 OD1 ASP 30 19.594 -48.309 0.589 1.00 63.13 ATOM 492 OD2 ASP 30 20.352 -46.273 0.253 1.00 32.43 ATOM 493 C ASP 30 18.593 -47.824 -2.589 1.00 52.51 ATOM 494 O ASP 30 19.769 -48.025 -2.886 1.00 45.23 ATOM 495 N GLY 31 17.624 -48.701 -2.834 1.00 65.14 ATOM 496 HN GLY 31 16.702 -48.520 -2.558 1.00 37.05 ATOM 497 CA GLY 31 17.917 -49.968 -3.480 1.00 2.34 ATOM 498 HA1 GLY 31 18.774 -49.867 -4.135 1.00 37.05 ATOM 499 HA2 GLY 31 17.063 -50.250 -4.078 1.00 63.13 ATOM 500 C GLY 31 18.190 -51.077 -2.483 1.00 11.32 ATOM 501 O GLY 31 19.159 -51.822 -2.624 1.00 22.54 ATOM 502 N ASP 32 17.335 -51.185 -1.472 1.00 75.02 ATOM 503 HN ASP 32 16.568 -50.569 -1.410 1.00 37.05 ATOM 504 CA ASP 32 17.488 -52.211 -0.447 1.00 42.21 ATOM 505 HA ASP 32 18.426 -52.723 -0.617 1.00 60.44 ATOM 506 CB ASP 32 17.507 -51.574 0.943 1.00 14.23 ATOM 507 HB1 ASP 32 17.159 -52.285 1.683 1.00 37.05 ATOM 508 HB2 ASP 32 16.853 -50.714 0.953 1.00 50.05 ATOM 509 CG ASP 32 18.893 -51.119 1.354 1.00 65.34 ATOM 510 OD1 ASP 32 19.062 -50.706 2.520 1.00 12.21 ATOM 511 OD2 ASP 32 19.811 -51.178 0.509 1.00 72.14 ATOM 512 C ASP 32 16.365 -53.239 -0.534 1.00 54.14 ATOM 513 O ASP 32 15.274 -52.962 -1.035 1.00 64.21 ATOM 514 N PRO 33 16.635 -54.455 -0.037 1.00 13.22 ATOM 515 CA PRO 33 15.659 -55.549 -0.048 1.00 23.15 ATOM 516 HA PRO 33 15.275 -55.727 -1.038 1.00 22.13 ATOM 517 CB PRO 33 16.481 -56.761 0.400 1.00 14.21 ATOM 518 HB1 PRO 33 16.855 -57.279 -0.470 1.00 37.05 ATOM 519 HB2 PRO 33 15.878 -57.440 0.990 1.00 11.34 ATOM 520 CG PRO 33 17.599 -56.186 1.200 1.00 74.13 ATOM 521 HG1 PRO 33 18.460 -56.836 1.149 1.00 37.05 ATOM 522 HG2 PRO 33 17.287 -56.055 2.226 1.00 65.21 ATOM 523 CD PRO 33 17.913 -54.855 0.575 1.00 50.00 ATOM 524 HD1 PRO 33 18.683 -54.963 -0.175 1.00 37.05 ATOM 525 HD2 PRO 33 18.222 -54.157 1.335 1.00 75.05 ATOM 526 C PRO 33 14.503 -55.304 0.916 1.00 72.23 ATOM 527 O PRO 33 13.505 -56.025 0.901 1.00 61.53 ATOM 528 N LYS 34 14.643 -54.282 1.753 1.00 54.11 ATOM 529 HN LYS 34 15.471 -53.762 1.771 1.00 37.05 ATOM 530 CA LYS 34 13.609 -53.940 2.723 1.00 40.22 ATOM 531 HA LYS 34 12.954 -54.789 2.852 1.00 5.33 ATOM 532 CB LYS 34 14.240 -53.616 4.079 1.00 42.03 ATOM 533 HB1 LYS 34 13.457 -53.362 4.781 1.00 37.05 ATOM 534 HB2 LYS 34 14.885 -52.754 3.957 1.00 31.25 ATOM 535 CG LYS 34 15.083 -54.747 4.643 1.00 14.21 ATOM 536 HG1 LYS 34 16.048 -54.348 4.909 1.00 37.05 ATOM 537 HG2 LYS 34 15.217 -55.518 3.893 1.00 0.52 ATOM 538 CD LYS 34 14.426 -55.377 5.860 1.00 63.51 ATOM 539 HD1 LYS 34 14.523 -56.450 5.780 1.00 37.05 ATOM 540 HD2 LYS 34 13.375 -55.121 5.906 1.00 31.32 ATOM 541 CE LYS 34 15.098 -54.931 7.150 1.00 53.15 ATOM 542 HE1 LYS 34 14.535 -55.323 7.984 1.00 37.05 ATOM 543 HE2 LYS 34 15.098 -53.851 7.196 1.00 71.34 ATOM 544 NZ LYS 34 16.501 -55.421 7.243 1.00 50.43 ATOM 545 HZ1 LYS 34 16.887 -55.205 8.184 1.00 71.15 ATOM 546 HZ2 LYS 34 17.098 -54.961 6.531 1.00 20.00 ATOM 547 HZ3 LYS 34 16.539 -56.453 7.099 1.00 45.12 ATOM 548 C LYS 34 12.781 -52.754 2.240 1.00 54.35 ATOM 549 O LYS 34 11.701 -52.483 2.766 1.00 71.24 ATOM 550 N ARG 35 13.292 -52.051 1.235 1.00 44.54 ATOM 551 HN ARG 35 14.163 -52.299 0.857 1.00 37.05 ATOM 552 CA ARG 35 12.599 -50.894 0.681 1.00 42.34 ATOM 553 HA ARG 35 12.533 -50.153 1.462 1.00 51.04 ATOM 554 CB ARG 35 13.375 -50.330 -0.511 1.00 5.42 ATOM 555 HB1 ARG 35 13.009 -50.747 -1.437 1.00 37.05 ATOM 556 HB2 ARG 35 14.419 -50.600 -0.414 1.00 54.02 ATOM 557 CG ARG 35 13.298 -48.816 -0.627 1.00 34.10 ATOM 558 HG1 ARG 35 12.263 -48.506 -0.577 1.00 37.05 ATOM 559 HG2 ARG 35 13.717 -48.518 -1.577 1.00 21.51 ATOM 560 CD ARG 35 14.075 -48.131 0.486 1.00 21.31 ATOM 561 HD1 ARG 35 15.098 -48.481 0.443 1.00 37.05 ATOM 562 HD2 ARG 35 13.642 -48.396 1.438 1.00 21.30 ATOM 563 NE ARG 35 14.057 -46.677 0.352 1.00 34.11 ATOM 564 HE ARG 35 13.358 -46.277 -0.215 1.00 51.11 ATOM 565 CZ ARG 35 14.919 -45.872 0.963 1.00 53.24 ATOM 566 NH1 ARG 35 15.863 -46.377 1.745 1.00 51.54 ATOM 567 HH11 ARG 35 15.949 -47.358 1.897 1.00 40.31 ATOM 568 HH12 ARG 35 16.510 -45.760 2.198 1.00 13.02 ATOM 569 NH2 ARG 35 14.838 -44.559 0.791 1.00 54.50 ATOM 570 HH21 ARG 35 14.125 -44.181 0.239 1.00 22.40 ATOM 571 HH22 ARG 35 15.522 -43.957 1.189 1.00 74.42 ATOM 572 C ARG 35 11.183 -51.264 0.250 1.00 50.44 ATOM 573 O ARG 35 10.203 -50.763 0.802 1.00 22.25 ATOM 574 N LYS 36 11.082 -52.143 -0.742 1.00 4.44 ATOM 575 HN LYS 36 11.893 -52.466 -1.162 1.00 37.05 ATOM 576 CA LYS 36 9.787 -52.581 -1.248 1.00 21.14 ATOM 577 HA LYS 36 9.258 -51.712 -1.591 1.00 13.45 ATOM 578 CB LYS 36 9.975 -53.554 -2.414 1.00 52.31 ATOM 579 HB1 LYS 36 10.740 -53.185 -3.072 1.00 37.05 ATOM 580 HB2 LYS 36 9.050 -53.603 -2.964 1.00 54.15 ATOM 581 CG LYS 36 10.312 -54.969 -1.978 1.00 2.11 ATOM 582 HG1 LYS 36 10.258 -55.614 -2.842 1.00 37.05 ATOM 583 HG2 LYS 36 9.600 -55.318 -1.248 1.00 42.52 ATOM 584 CD LYS 36 11.710 -55.052 -1.389 1.00 24.52 ATOM 585 HD1 LYS 36 11.897 -56.078 -1.110 1.00 37.05 ATOM 586 HD2 LYS 36 11.786 -54.438 -0.519 1.00 42.23 ATOM 587 CE LYS 36 12.767 -54.634 -2.400 1.00 20.13 ATOM 588 HE1 LYS 36 13.734 -54.864 -1.996 1.00 37.05 ATOM 589 HE2 LYS 36 12.706 -53.576 -2.579 1.00 35.43 ATOM 590 NZ LYS 36 12.610 -55.351 -3.695 1.00 54.14 ATOM 591 HZ1 LYS 36 13.474 -55.240 -4.264 1.00 3.31 ATOM 592 HZ2 LYS 36 11.812 -54.958 -4.233 1.00 60.53 ATOM 593 HZ3 LYS 36 12.444 -56.369 -3.539 1.00 51.55 ATOM 594 C LYS 36 8.969 -53.245 -0.145 1.00 33.21 ATOM 595 O LYS 36 7.741 -53.290 -0.213 1.00 70.20 ATOM 596 N GLU 37 9.657 -53.758 0.870 1.00 5.11 ATOM 597 HN GLU 37 10.630 -53.723 0.873 1.00 37.05 ATOM 598 CA GLU 37 8.993 -54.419 1.987 1.00 13.41 ATOM 599 HA GLU 37 8.254 -55.105 1.587 1.00 65.40 ATOM 600 CB GLU 37 10.007 -55.203 2.822 1.00 44.13 ATOM 601 HB1 GLU 37 9.623 -55.315 3.831 1.00 37.05 ATOM 602 HB2 GLU 37 10.924 -54.658 2.866 1.00 25.24 ATOM 603 CG GLU 37 10.307 -56.587 2.272 1.00 21.42 ATOM 604 HG1 GLU 37 11.150 -56.516 1.601 1.00 37.05 ATOM 605 HG2 GLU 37 9.447 -56.957 1.728 1.00 55.12 ATOM 606 CD GLU 37 10.641 -57.588 3.362 1.00 43.33 ATOM 607 OE1 GLU 37 9.703 -58.078 4.024 1.00 12.12 ATOM 608 OE2 GLU 37 11.840 -57.880 3.552 1.00 21.11 ATOM 609 C GLU 37 8.270 -53.403 2.868 1.00 73.44 ATOM 610 O GLU 37 7.088 -53.562 3.175 1.00 1.41 ATOM 611 N PHE 38 8.988 -52.361 3.271 1.00 43.34 ATOM 612 HN PHE 38 9.929 -52.286 2.987 1.00 37.05 ATOM 613 CA PHE 38 8.417 -51.320 4.117 1.00 10.21 ATOM 614 HA PHE 38 7.981 -51.792 4.988 1.00 14.14 ATOM 615 CB PHE 38 9.508 -50.352 4.579 1.00 45.03 ATOM 616 HB1 PHE 38 10.030 -49.982 3.707 1.00 37.05 ATOM 617 HB2 PHE 38 10.211 -50.889 5.204 1.00 73.34 ATOM 618 CG PHE 38 8.980 -49.176 5.350 1.00 63.31 ATOM 619 CD1 PHE 38 8.549 -48.036 4.691 1.00 23.03 ATOM 620 HD1 PHE 38 8.596 -47.995 3.616 1.00 74.12 ATOM 621 CD2 PHE 38 8.914 -49.212 6.733 1.00 2.34 ATOM 622 HD2 PHE 38 9.247 -50.095 7.262 1.00 72.44 ATOM 623 CE1 PHE 38 8.064 -46.953 5.399 1.00 54.43 ATOM 624 HE1 PHE 38 7.731 -46.070 4.874 1.00 42.13 ATOM 625 CE2 PHE 38 8.429 -48.131 7.446 1.00 30.43 ATOM 626 HE2 PHE 38 8.385 -48.171 8.516 1.00 4.34 ATOM 627 CZ PHE 38 8.002 -47.001 6.778 1.00 41.23 ATOM 628 HZ PHE 38 7.615 -46.162 7.324 1.00 44.54 ATOM 629 C PHE 38 7.324 -50.555 3.376 1.00 32.31 ATOM 630 O PHE 38 6.282 -50.229 3.947 1.00 62.30 ATOM 631 N LEU 39 7.569 -50.272 2.102 1.00 52.24 ATOM 632 HN LEU 39 8.425 -50.550 1.697 1.00 37.05 ATOM 633 CA LEU 39 6.606 -49.545 1.281 1.00 44.11 ATOM 634 HA LEU 39 6.323 -48.645 1.804 1.00 43.31 ATOM 635 CB LEU 39 7.231 -49.175 -0.066 1.00 21.15 ATOM 636 HB1 LEU 39 6.469 -48.729 -0.684 1.00 37.05 ATOM 637 HB2 LEU 39 7.564 -50.087 -0.542 1.00 35.42 ATOM 638 CG LEU 39 8.415 -48.209 -0.013 1.00 63.23 ATOM 639 HG LEU 39 9.245 -48.689 0.471 1.00 10.44 ATOM 640 CD1 LEU 39 8.852 -47.823 -1.418 1.00 70.40 ATOM 641 HD11 LEU 39 9.678 -47.137 -1.356 1.00 24.51 ATOM 642 HD12 LEU 39 8.031 -47.353 -1.941 1.00 52.05 ATOM 643 HD13 LEU 39 9.162 -48.707 -1.957 1.00 14.54 ATOM 644 CD2 LEU 39 8.058 -46.970 0.795 1.00 31.51 ATOM 645 HD21 LEU 39 7.174 -46.505 0.380 1.00 22.14 ATOM 646 HD22 LEU 39 8.879 -46.265 0.760 1.00 5.34 ATOM 647 HD23 LEU 39 7.875 -47.237 1.819 1.00 52.31 ATOM 648 C LEU 39 5.345 -50.373 1.059 1.00 71.23 ATOM 649 O LEU 39 4.242 -49.947 1.402 1.00 21.33 ATOM 650 N ASP 40 5.516 -51.559 0.484 1.00 14.31 ATOM 651 HN ASP 40 6.426 -51.843 0.227 1.00 37.05 ATOM 652 CA ASP 40 4.391 -52.449 0.219 1.00 3.20 ATOM 653 HA ASP 40 3.755 -51.968 -0.512 1.00 54.34 ATOM 654 CB ASP 40 4.889 -53.779 -0.349 1.00 1.04 ATOM 655 HB1 ASP 40 5.434 -54.321 0.412 1.00 37.05 ATOM 656 HB2 ASP 40 5.546 -53.577 -1.181 1.00 14.10 ATOM 657 CG ASP 40 3.758 -54.654 -0.852 1.00 15.53 ATOM 658 OD1 ASP 40 4.015 -55.835 -1.163 1.00 52.13 ATOM 659 OD2 ASP 40 2.615 -54.156 -0.935 1.00 33.35 ATOM 660 C ASP 40 3.582 -52.695 1.488 1.00 13.54 ATOM 661 O ASP 40 2.358 -52.561 1.492 1.00 52.24 ATOM 662 N ASP 41 4.273 -53.055 2.564 1.00 33.21 ATOM 663 HN ASP 41 5.254 -53.147 2.500 1.00 37.05 ATOM 664 CA ASP 41 3.618 -53.320 3.840 1.00 2.21 ATOM 665 HA ASP 41 2.873 -54.090 3.679 1.00 15.45 ATOM 666 CB ASP 41 4.637 -53.820 4.866 1.00 54.50 ATOM 667 HB1 ASP 41 5.307 -53.014 5.138 1.00 37.05 ATOM 668 HB2 ASP 41 5.212 -54.621 4.425 1.00 51.42 ATOM 669 CG ASP 41 3.978 -54.350 6.125 1.00 42.45 ATOM 670 OD1 ASP 41 4.122 -53.706 7.185 1.00 54.12 ATOM 671 OD2 ASP 41 3.320 -55.409 6.049 1.00 2.45 ATOM 672 C ASP 41 2.922 -52.067 4.364 1.00 25.30 ATOM 673 O ASP 41 1.835 -52.142 4.937 1.00 33.12 ATOM 674 N LEU 42 3.557 -50.917 4.165 1.00 71.42 ATOM 675 HN LEU 42 4.434 -50.916 3.713 1.00 37.05 ATOM 676 CA LEU 42 3.000 -49.648 4.618 1.00 53.40 ATOM 677 HA LEU 42 2.836 -49.713 5.685 1.00 72.11 ATOM 678 CB LEU 42 3.982 -48.509 4.340 1.00 4.32 ATOM 679 HB1 LEU 42 4.237 -48.546 3.294 1.00 37.05 ATOM 680 HB2 LEU 42 4.879 -48.699 4.911 1.00 51.32 ATOM 681 CG LEU 42 3.489 -47.100 4.674 1.00 63.30 ATOM 682 HG LEU 42 2.444 -47.016 4.466 1.00 72.42 ATOM 683 CD1 LEU 42 3.684 -46.803 6.153 1.00 45.14 ATOM 684 HD11 LEU 42 4.739 -46.741 6.381 1.00 61.01 ATOM 685 HD12 LEU 42 3.236 -47.590 6.745 1.00 62.00 ATOM 686 HD13 LEU 42 3.206 -45.869 6.395 1.00 10.55 ATOM 687 CD2 LEU 42 4.210 -46.067 3.821 1.00 52.25 ATOM 688 HD21 LEU 42 4.037 -46.277 2.774 1.00 5.34 ATOM 689 HD22 LEU 42 5.272 -46.102 4.023 1.00 11.23 ATOM 690 HD23 LEU 42 3.834 -45.080 4.052 1.00 44.31 ATOM 691 C LEU 42 1.667 -49.363 3.933 1.00 13.35 ATOM 692 O LEU 42 0.674 -49.051 4.591 1.00 54.42 ATOM 693 N PHE 43 1.652 -49.474 2.609 1.00 33.13 ATOM 694 HN PHE 43 2.477 -49.753 2.146 1.00 37.05 ATOM 695 CA PHE 43 0.440 -49.230 1.835 1.00 3.33 ATOM 696 HA PHE 43 0.094 -48.235 2.048 1.00 14.22 ATOM 697 CB PHE 43 0.737 -49.333 0.338 1.00 71.32 ATOM 698 HB1 PHE 43 -0.110 -48.949 -0.213 1.00 37.05 ATOM 699 HB2 PHE 43 0.885 -50.375 0.074 1.00 71.55 ATOM 700 CG PHE 43 1.952 -48.560 -0.087 1.00 64.14 ATOM 701 CD1 PHE 43 2.195 -47.293 0.417 1.00 52.53 ATOM 702 HD1 PHE 43 1.515 -46.864 1.129 1.00 42.00 ATOM 703 CD2 PHE 43 2.852 -49.101 -0.992 1.00 2.32 ATOM 704 HD2 PHE 43 2.677 -50.090 -1.394 1.00 44.10 ATOM 705 CE1 PHE 43 3.313 -46.578 0.028 1.00 75.42 ATOM 706 HE1 PHE 43 3.490 -45.591 0.429 1.00 31.12 ATOM 707 CE2 PHE 43 3.972 -48.392 -1.384 1.00 53.40 ATOM 708 HE2 PHE 43 4.662 -48.816 -2.087 1.00 2.30 ATOM 709 CZ PHE 43 4.202 -47.128 -0.875 1.00 34.44 ATOM 710 HZ PHE 43 5.076 -46.572 -1.181 1.00 53.43 ATOM 711 C PHE 43 -0.658 -50.218 2.217 1.00 2.12 ATOM 712 O PHE 43 -1.787 -49.825 2.510 1.00 0.03 ATOM 713 N SER 44 -0.318 -51.503 2.211 1.00 43.12 ATOM 714 HN SER 44 0.605 -51.757 1.970 1.00 37.05 ATOM 715 CA SER 44 -1.275 -52.549 2.552 1.00 41.30 ATOM 716 HA SER 44 -2.121 -52.464 1.883 1.00 75.13 ATOM 717 CB SER 44 -0.641 -53.929 2.370 1.00 3.02 ATOM 718 HB1 SER 44 -1.129 -54.653 3.014 1.00 37.05 ATOM 719 HB2 SER 44 0.409 -53.883 2.622 1.00 20.22 ATOM 720 OG SER 44 -0.764 -54.375 1.031 1.00 54.43 ATOM 721 HG SER 44 -1.646 -54.729 0.887 1.00 3.22 ATOM 722 C SER 44 -1.767 -52.388 3.987 1.00 1.42 ATOM 723 O SER 44 -2.893 -52.762 4.315 1.00 10.23 ATOM 724 N PHE 45 -0.914 -51.828 4.839 1.00 51.11 ATOM 725 HN PHE 45 -0.017 -51.562 4.532 1.00 37.05 ATOM 726 CA PHE 45 -1.260 -51.617 6.240 1.00 71.52 ATOM 727 HA PHE 45 -1.672 -52.539 6.632 1.00 61.23 ATOM 728 CB PHE 45 -0.011 -51.258 7.047 1.00 31.33 ATOM 729 HB1 PHE 45 0.569 -50.531 6.498 1.00 37.05 ATOM 730 HB2 PHE 45 0.588 -52.151 7.176 1.00 15.32 ATOM 731 CG PHE 45 -0.317 -50.696 8.406 1.00 22.32 ATOM 732 CD1 PHE 45 -0.577 -51.538 9.476 1.00 43.31 ATOM 733 HD1 PHE 45 -0.559 -52.610 9.330 1.00 20.21 ATOM 734 CD2 PHE 45 -0.344 -49.327 8.614 1.00 42.31 ATOM 735 HD2 PHE 45 -0.144 -48.657 7.789 1.00 14.13 ATOM 736 CE1 PHE 45 -0.859 -51.023 10.727 1.00 11.11 ATOM 737 HE1 PHE 45 -1.061 -51.691 11.547 1.00 74.21 ATOM 738 CE2 PHE 45 -0.625 -48.806 9.863 1.00 31.11 ATOM 739 HE2 PHE 45 -0.649 -47.753 9.991 1.00 12.51 ATOM 740 CZ PHE 45 -0.882 -49.656 10.921 1.00 11.43 ATOM 741 HZ PHE 45 -1.108 -49.254 11.892 1.00 62.13 ATOM 742 C PHE 45 -2.306 -50.515 6.382 1.00 22.31 ATOM 743 O PHE 45 -3.395 -50.743 6.907 1.00 73.01 ATOM 744 N MET 46 -1.965 -49.320 5.911 1.00 21.22 ATOM 745 HN MET 46 -1.062 -49.201 5.538 1.00 37.05 ATOM 746 CA MET 46 -2.874 -48.182 5.985 1.00 30.41 ATOM 747 HA MET 46 -3.154 -48.040 7.021 1.00 64.23 ATOM 748 CB MET 46 -2.179 -46.914 5.487 1.00 51.22 ATOM 749 HB1 MET 46 -1.384 -46.684 6.183 1.00 37.05 ATOM 750 HB2 MET 46 -2.871 -46.101 5.484 1.00 52.34 ATOM 751 CG MET 46 -1.584 -47.054 4.095 1.00 52.40 ATOM 752 HG1 MET 46 -2.318 -46.760 3.369 1.00 37.05 ATOM 753 HG2 MET 46 -1.303 -48.064 3.910 1.00 2.22 ATOM 754 SD MET 46 -0.118 -46.031 3.861 1.00 64.24 ATOM 755 CE MET 46 -0.816 -44.392 4.040 1.00 3.53 ATOM 756 HE1 MET 46 -1.856 -44.402 3.767 1.00 20.22 ATOM 757 HE2 MET 46 -0.297 -43.724 3.392 1.00 75.32 ATOM 758 HE3 MET 46 -0.715 -44.065 5.059 1.00 10.23 ATOM 759 C MET 46 -4.135 -48.440 5.167 1.00 73.22 ATOM 760 O MET 46 -5.248 -48.204 5.636 1.00 53.13 ATOM 761 N GLN 47 -3.953 -48.925 3.943 1.00 65.20 ATOM 762 HN GLN 47 -3.049 -49.138 3.632 1.00 37.05 ATOM 763 CA GLN 47 -5.077 -49.213 3.060 1.00 23.53 ATOM 764 HA GLN 47 -5.540 -48.277 2.794 1.00 44.33 ATOM 765 CB GLN 47 -4.588 -49.905 1.786 1.00 1.13 ATOM 766 HB1 GLN 47 -3.949 -50.728 2.069 1.00 37.05 ATOM 767 HB2 GLN 47 -4.009 -49.196 1.217 1.00 24.22 ATOM 768 CG GLN 47 -5.711 -50.466 0.929 1.00 31.14 ATOM 769 HG1 GLN 47 -6.604 -49.867 1.062 1.00 37.05 ATOM 770 HG2 GLN 47 -5.912 -51.479 1.242 1.00 60.44 ATOM 771 CD GLN 47 -5.368 -50.480 -0.547 1.00 44.11 ATOM 772 OE1 GLN 47 -4.322 -49.976 -0.958 1.00 0.43 ATOM 773 NE2 GLN 47 -6.248 -51.059 -1.355 1.00 33.13 ATOM 774 HE21 GLN 47 -7.068 -51.446 -0.972 1.00 53.21 ATOM 775 HE22 GLN 47 -6.043 -51.078 -2.313 1.00 11.44 ATOM 776 C GLN 47 -6.110 -50.088 3.763 1.00 52.32 ATOM 777 O GLN 47 -7.309 -49.983 3.501 1.00 63.53 ATOM 778 N LYS 48 -5.639 -50.950 4.657 1.00 63.22 ATOM 779 HN LYS 48 -4.668 -51.023 4.805 1.00 37.05 ATOM 780 CA LYS 48 -6.521 -51.843 5.399 1.00 50.12 ATOM 781 HA LYS 48 -7.245 -52.261 4.708 1.00 64.01 ATOM 782 CB LYS 48 -5.716 -52.982 6.028 1.00 2.25 ATOM 783 HB1 LYS 48 -6.285 -53.420 6.840 1.00 37.05 ATOM 784 HB2 LYS 48 -4.800 -52.580 6.428 1.00 21.42 ATOM 785 CG LYS 48 -5.376 -54.097 5.055 1.00 30.10 ATOM 786 HG1 LYS 48 -5.077 -53.668 4.108 1.00 37.05 ATOM 787 HG2 LYS 48 -6.256 -54.706 4.909 1.00 44.23 ATOM 788 CD LYS 48 -4.258 -54.979 5.585 1.00 0.24 ATOM 789 HD1 LYS 48 -4.631 -55.532 6.436 1.00 37.05 ATOM 790 HD2 LYS 48 -3.427 -54.366 5.900 1.00 1.10 ATOM 791 CE LYS 48 -3.772 -55.959 4.528 1.00 2.35 ATOM 792 HE1 LYS 48 -2.693 -55.990 4.564 1.00 37.05 ATOM 793 HE2 LYS 48 -4.082 -55.632 3.543 1.00 20.12 ATOM 794 NZ LYS 48 -4.293 -57.333 4.765 1.00 73.32 ATOM 795 HZ1 LYS 48 -3.944 -57.977 4.026 1.00 54.40 ATOM 796 HZ2 LYS 48 -5.334 -57.335 4.743 1.00 14.00 ATOM 797 HZ3 LYS 48 -3.976 -57.686 5.692 1.00 14.35 ATOM 798 C LYS 48 -7.279 -51.082 6.482 1.00 24.23 ATOM 799 O LYS 48 -8.431 -51.394 6.782 1.00 12.12 ATOM 800 N ARG 49 -6.624 -50.083 7.065 1.00 51.10 ATOM 801 HN ARG 49 -5.698 -49.890 6.803 1.00 37.05 ATOM 802 CA ARG 49 -7.237 -49.278 8.115 1.00 44.21 ATOM 803 HA ARG 49 -7.759 -49.940 8.796 1.00 75.25 ATOM 804 CB ARG 49 -6.163 -48.521 8.899 1.00 63.22 ATOM 805 HB1 ARG 49 -5.202 -48.996 8.743 1.00 37.05 ATOM 806 HB2 ARG 49 -6.411 -48.577 9.949 1.00 22.42 ATOM 807 CG ARG 49 -6.049 -47.055 8.516 1.00 50.40 ATOM 808 HG1 ARG 49 -6.948 -46.537 8.811 1.00 37.05 ATOM 809 HG2 ARG 49 -5.923 -46.986 7.464 1.00 64.35 ATOM 810 CD ARG 49 -4.867 -46.390 9.203 1.00 2.54 ATOM 811 HD1 ARG 49 -4.950 -45.318 9.104 1.00 37.05 ATOM 812 HD2 ARG 49 -3.961 -46.721 8.717 1.00 1.51 ATOM 813 NE ARG 49 -4.789 -46.739 10.619 1.00 33.12 ATOM 814 HE ARG 49 -4.103 -47.387 10.886 1.00 13.15 ATOM 815 CZ ARG 49 -5.598 -46.236 11.546 1.00 62.43 ATOM 816 NH1 ARG 49 -6.540 -45.367 11.207 1.00 22.01 ATOM 817 HH11 ARG 49 -6.665 -45.066 10.268 1.00 22.32 ATOM 818 HH12 ARG 49 -7.147 -45.000 11.915 1.00 11.25 ATOM 819 NH2 ARG 49 -5.465 -46.604 12.814 1.00 40.52 ATOM 820 HH21 ARG 49 -4.755 -47.261 13.076 1.00 51.12 ATOM 821 HH22 ARG 49 -6.073 -46.226 13.515 1.00 4.42 ATOM 822 C ARG 49 -8.242 -48.292 7.527 1.00 11.12 ATOM 823 O ARG 49 -9.066 -47.727 8.246 1.00 61.44 ATOM 824 N GLY 50 -8.167 -48.090 6.215 1.00 14.51 ATOM 825 HN GLY 50 -7.489 -48.541 5.675 1.00 37.05 ATOM 826 CA GLY 50 -9.076 -47.171 5.553 1.00 24.33 ATOM 827 HA1 GLY 50 -9.895 -46.900 6.208 1.00 37.05 ATOM 828 HA2 GLY 50 -9.486 -47.667 4.686 1.00 52.32 ATOM 829 C GLY 50 -8.384 -45.904 5.091 1.00 71.22 ATOM 830 O GLY 50 -8.947 -44.812 5.179 1.00 61.40 ATOM 831 N THR 51 -7.158 -46.047 4.597 1.00 20.31 ATOM 832 HN THR 51 -6.756 -46.943 4.537 1.00 37.05 ATOM 833 CA THR 51 -6.387 -44.905 4.122 1.00 73.41 ATOM 834 HA THR 51 -7.035 -44.269 3.532 1.00 72.30 ATOM 835 CB THR 51 -5.854 -44.060 5.294 1.00 32.22 ATOM 836 HB THR 51 -6.696 -43.625 5.815 1.00 22.40 ATOM 837 OG1 THR 51 -5.017 -43.009 4.799 1.00 31.15 ATOM 838 HG1 THR 51 -5.002 -42.284 5.429 1.00 14.45 ATOM 839 CG2 THR 51 -5.070 -44.923 6.271 1.00 65.44 ATOM 840 HG21 THR 51 -5.012 -45.940 5.939 1.00 53.34 ATOM 841 HG22 THR 51 -5.569 -44.873 7.209 1.00 70.34 ATOM 842 HG23 THR 51 -4.071 -44.525 6.385 1.00 40.24 ATOM 843 C THR 51 -5.214 -45.355 3.259 1.00 5.23 ATOM 844 O THR 51 -4.052 -45.281 3.662 1.00 73.33 ATOM 845 N PRO 52 -5.520 -45.831 2.044 1.00 61.35 ATOM 846 CA PRO 52 -4.503 -46.301 1.098 1.00 2.00 ATOM 847 HA PRO 52 -3.857 -47.042 1.546 1.00 32.42 ATOM 848 CB PRO 52 -5.328 -46.944 -0.019 1.00 64.54 ATOM 849 HB1 PRO 52 -5.434 -47.976 0.173 1.00 37.05 ATOM 850 HB2 PRO 52 -4.864 -46.808 -0.986 1.00 25.42 ATOM 851 CG PRO 52 -6.651 -46.263 0.046 1.00 21.42 ATOM 852 HG1 PRO 52 -7.423 -46.923 -0.322 1.00 37.05 ATOM 853 HG2 PRO 52 -6.625 -45.353 -0.536 1.00 4.22 ATOM 854 CD PRO 52 -6.883 -45.948 1.498 1.00 3.30 ATOM 855 HD1 PRO 52 -7.424 -46.751 1.977 1.00 37.05 ATOM 856 HD2 PRO 52 -7.423 -45.018 1.591 1.00 50.33 ATOM 857 C PRO 52 -3.655 -45.161 0.545 1.00 3.31 ATOM 858 O PRO 52 -3.770 -44.017 0.987 1.00 61.33 ATOM 859 N VAL 53 -2.803 -45.479 -0.424 1.00 62.13 ATOM 860 HN VAL 53 -2.736 -46.410 -0.734 1.00 37.05 ATOM 861 CA VAL 53 -1.936 -44.481 -1.039 1.00 11.41 ATOM 862 HA VAL 53 -2.122 -43.515 -0.576 1.00 41.53 ATOM 863 CB VAL 53 -0.449 -44.819 -0.823 1.00 11.21 ATOM 864 HB VAL 53 -0.250 -45.789 -1.258 1.00 43.01 ATOM 865 CG1 VAL 53 0.438 -43.796 -1.517 1.00 14.13 ATOM 866 HG11 VAL 53 1.470 -43.952 -1.227 1.00 12.23 ATOM 867 HG12 VAL 53 0.139 -42.796 -1.235 1.00 20.13 ATOM 868 HG13 VAL 53 0.359 -43.906 -2.588 1.00 73.13 ATOM 869 CG2 VAL 53 -0.130 -44.893 0.663 1.00 52.43 ATOM 870 HG21 VAL 53 -0.623 -44.097 1.191 1.00 63.24 ATOM 871 HG22 VAL 53 0.938 -44.821 0.822 1.00 11.43 ATOM 872 HG23 VAL 53 -0.482 -45.839 1.037 1.00 2.12 ATOM 873 C VAL 53 -2.207 -44.363 -2.535 1.00 33.44 ATOM 874 O VAL 53 -1.990 -45.309 -3.291 1.00 2.20 ATOM 875 N ASN 54 -2.683 -43.196 -2.954 1.00 54.43 ATOM 876 HN ASN 54 -2.820 -42.470 -2.304 1.00 37.05 ATOM 877 CA ASN 54 -2.985 -42.954 -4.361 1.00 23.04 ATOM 878 HA ASN 54 -2.986 -43.897 -4.895 1.00 74.31 ATOM 879 CB ASN 54 -4.370 -42.322 -4.506 1.00 14.35 ATOM 880 HB1 ASN 54 -5.108 -43.016 -4.129 1.00 37.05 ATOM 881 HB2 ASN 54 -4.572 -42.134 -5.553 1.00 43.10 ATOM 882 CG ASN 54 -4.499 -41.026 -3.728 1.00 44.24 ATOM 883 OD1 ASN 54 -4.325 -41.000 -2.510 1.00 10.11 ATOM 884 ND2 ASN 54 -4.804 -39.942 -4.432 1.00 54.11 ATOM 885 HD21 ASN 54 -4.930 -40.019 -5.405 1.00 35.53 ATOM 886 HD22 ASN 54 -4.897 -39.096 -3.946 1.00 1.40 ATOM 887 C ASN 54 -1.932 -42.050 -4.995 1.00 70.10 ATOM 888 O ASN 54 -1.436 -42.329 -6.086 1.00 64.34 ATOM 889 N ARG 55 -1.596 -40.966 -4.303 1.00 71.21 ATOM 890 HN ARG 55 -1.981 -40.807 -3.416 1.00 37.05 ATOM 891 CA ARG 55 -0.603 -40.021 -4.799 1.00 11.24 ATOM 892 HA ARG 55 -0.195 -40.382 -5.735 1.00 44.22 ATOM 893 CB ARG 55 -1.248 -38.656 -5.050 1.00 64.41 ATOM 894 HB1 ARG 55 -1.956 -38.758 -5.862 1.00 37.05 ATOM 895 HB2 ARG 55 -0.479 -37.954 -5.346 1.00 31.34 ATOM 896 CG ARG 55 -1.984 -38.099 -3.843 1.00 5.33 ATOM 897 HG1 ARG 55 -1.283 -37.980 -3.033 1.00 37.05 ATOM 898 HG2 ARG 55 -2.755 -38.787 -3.548 1.00 3.31 ATOM 899 CD ARG 55 -2.620 -36.752 -4.151 1.00 61.52 ATOM 900 HD1 ARG 55 -3.016 -36.329 -3.238 1.00 37.05 ATOM 901 HD2 ARG 55 -3.431 -36.911 -4.847 1.00 1.42 ATOM 902 NE ARG 55 -1.668 -35.822 -4.751 1.00 40.35 ATOM 903 HE ARG 55 -1.751 -35.653 -5.715 1.00 34.25 ATOM 904 CZ ARG 55 -0.712 -35.204 -4.066 1.00 71.32 ATOM 905 NH1 ARG 55 -0.582 -35.418 -2.764 1.00 64.12 ATOM 906 HH11 ARG 55 -1.187 -36.031 -2.268 1.00 15.03 ATOM 907 HH12 ARG 55 0.147 -34.950 -2.260 1.00 12.23 ATOM 908 NH2 ARG 55 0.116 -34.371 -4.683 1.00 60.35 ATOM 909 HH21 ARG 55 0.023 -34.205 -5.667 1.00 12.21 ATOM 910 HH22 ARG 55 0.838 -33.904 -4.168 1.00 32.00 ATOM 911 C ARG 55 0.550 -39.876 -3.810 1.00 64.03 ATOM 912 O ARG 55 0.463 -40.329 -2.669 1.00 11.04 ATOM 913 N ILE 56 1.630 -39.243 -4.257 1.00 53.13 ATOM 914 HN ILE 56 1.652 -38.906 -5.183 1.00 37.05 ATOM 915 CA ILE 56 2.800 -39.038 -3.412 1.00 74.42 ATOM 916 HA ILE 56 2.555 -39.384 -2.419 1.00 14.44 ATOM 917 CB ILE 56 4.003 -39.861 -3.908 1.00 61.51 ATOM 918 HB ILE 56 4.270 -39.510 -4.897 1.00 71.23 ATOM 919 CG1 ILE 56 3.637 -41.345 -3.984 1.00 64.32 ATOM 920 HG11 ILE 56 2.690 -41.465 -4.491 1.00 37.05 ATOM 921 HG12 ILE 56 3.553 -41.752 -2.986 1.00 45.34 ATOM 922 CG2 ILE 56 5.201 -39.652 -2.994 1.00 10.21 ATOM 923 HG21 ILE 56 5.448 -38.605 -2.918 1.00 63.02 ATOM 924 HG22 ILE 56 6.053 -40.176 -3.399 1.00 14.24 ATOM 925 HG23 ILE 56 4.984 -40.045 -2.013 1.00 21.34 ATOM 926 CD1 ILE 56 4.649 -42.179 -4.740 1.00 13.15 ATOM 927 HD11 ILE 56 4.607 -41.892 -5.771 1.00 50.54 ATOM 928 HD12 ILE 56 4.403 -43.226 -4.644 1.00 44.32 ATOM 929 HD13 ILE 56 5.640 -42.004 -4.359 1.00 1.24 ATOM 930 C ILE 56 3.191 -37.565 -3.363 1.00 21.44 ATOM 931 O ILE 56 3.270 -36.884 -4.385 1.00 14.53 ATOM 932 N PRO 57 3.445 -37.061 -2.146 1.00 30.42 ATOM 933 CA PRO 57 3.835 -35.664 -1.933 1.00 64.54 ATOM 934 HA PRO 57 3.122 -34.986 -2.384 1.00 75.44 ATOM 935 CB PRO 57 3.789 -35.511 -0.411 1.00 52.21 ATOM 936 HB1 PRO 57 2.821 -35.141 -0.131 1.00 37.05 ATOM 937 HB2 PRO 57 4.554 -34.826 -0.065 1.00 13.34 ATOM 938 CG PRO 57 4.004 -36.888 0.115 1.00 15.34 ATOM 939 HG1 PRO 57 3.526 -36.992 1.078 1.00 37.05 ATOM 940 HG2 PRO 57 5.062 -37.089 0.196 1.00 12.24 ATOM 941 CD PRO 57 3.371 -37.816 -0.884 1.00 30.52 ATOM 942 HD1 PRO 57 2.346 -38.012 -0.617 1.00 37.05 ATOM 943 HD2 PRO 57 3.924 -38.728 -0.926 1.00 10.35 ATOM 944 C PRO 57 5.237 -35.368 -2.456 1.00 31.30 ATOM 945 O PRO 57 6.173 -36.131 -2.215 1.00 61.12 ATOM 946 N ILE 58 5.374 -34.257 -3.171 1.00 61.03 ATOM 947 HN ILE 58 4.594 -33.678 -3.332 1.00 37.05 ATOM 948 CA ILE 58 6.662 -33.860 -3.726 1.00 62.31 ATOM 949 HA ILE 58 7.374 -34.667 -3.569 1.00 33.01 ATOM 950 CB ILE 58 6.569 -33.612 -5.243 1.00 43.51 ATOM 951 HB ILE 58 6.002 -32.705 -5.413 1.00 10.12 ATOM 952 CG1 ILE 58 5.850 -34.775 -5.930 1.00 4.34 ATOM 953 HG11 ILE 58 5.746 -34.550 -6.983 1.00 37.05 ATOM 954 HG12 ILE 58 4.866 -34.903 -5.505 1.00 73.04 ATOM 955 CG2 ILE 58 7.958 -33.417 -5.834 1.00 14.10 ATOM 956 HG21 ILE 58 8.561 -34.279 -5.642 1.00 63.32 ATOM 957 HG22 ILE 58 8.426 -32.547 -5.399 1.00 61.41 ATOM 958 HG23 ILE 58 7.877 -33.272 -6.903 1.00 61.31 ATOM 959 CD1 ILE 58 6.586 -36.092 -5.815 1.00 13.31 ATOM 960 HD11 ILE 58 7.571 -36.014 -6.243 1.00 55.41 ATOM 961 HD12 ILE 58 6.031 -36.851 -6.347 1.00 74.32 ATOM 962 HD13 ILE 58 6.658 -36.374 -4.778 1.00 71.22 ATOM 963 C ILE 58 7.189 -32.601 -3.047 1.00 12.40 ATOM 964 O ILE 58 6.571 -31.539 -3.121 1.00 41.15 ATOM 965 N MET 59 8.335 -32.726 -2.386 1.00 61.33 ATOM 966 HN MET 59 8.796 -33.597 -2.365 1.00 37.05 ATOM 967 CA MET 59 8.947 -31.597 -1.696 1.00 52.53 ATOM 968 HA MET 59 8.218 -30.799 -1.642 1.00 50.41 ATOM 969 CB MET 59 9.352 -31.997 -0.277 1.00 21.24 ATOM 970 HB1 MET 59 10.298 -32.524 -0.304 1.00 37.05 ATOM 971 HB2 MET 59 8.600 -32.665 0.123 1.00 62.34 ATOM 972 CG MET 59 9.493 -30.817 0.671 1.00 21.11 ATOM 973 HG1 MET 59 10.134 -30.076 0.212 1.00 37.05 ATOM 974 HG2 MET 59 9.956 -31.166 1.582 1.00 30.44 ATOM 975 SD MET 59 7.910 -30.047 1.061 1.00 3.41 ATOM 976 CE MET 59 7.812 -30.348 2.824 1.00 43.30 ATOM 977 HE1 MET 59 8.784 -30.197 3.270 1.00 52.01 ATOM 978 HE2 MET 59 7.489 -31.363 3.000 1.00 34.12 ATOM 979 HE3 MET 59 7.107 -29.665 3.266 1.00 23.41 ATOM 980 C MET 59 10.165 -31.087 -2.461 1.00 33.43 ATOM 981 O MET 59 11.043 -31.864 -2.836 1.00 11.35 ATOM 982 N ALA 60 10.210 -29.779 -2.689 1.00 3.24 ATOM 983 HN ALA 60 9.483 -29.199 -2.370 1.00 37.05 ATOM 984 CA ALA 60 11.321 -29.167 -3.407 1.00 2.33 ATOM 985 HA ALA 60 11.100 -28.117 -3.529 1.00 2.22 ATOM 986 CB ALA 60 12.604 -29.290 -2.598 1.00 42.02 ATOM 987 HB1 ALA 60 13.393 -28.738 -3.087 1.00 35.10 ATOM 988 HB2 ALA 60 12.892 -30.328 -2.514 1.00 22.40 ATOM 989 HB3 ALA 60 12.444 -28.883 -1.611 1.00 74.13 ATOM 990 C ALA 60 11.499 -29.797 -4.784 1.00 31.33 ATOM 991 O ALA 60 12.622 -29.998 -5.246 1.00 42.23 ATOM 992 N LYS 61 10.383 -30.109 -5.435 1.00 25.21 ATOM 993 HN LYS 61 9.506 -29.918 -5.035 1.00 37.05 ATOM 994 CA LYS 61 10.415 -30.717 -6.760 1.00 12.11 ATOM 995 HA LYS 61 9.400 -30.800 -7.112 1.00 51.34 ATOM 996 CB LYS 61 11.213 -29.840 -7.727 1.00 40.31 ATOM 997 HB1 LYS 61 10.990 -30.151 -8.738 1.00 37.05 ATOM 998 HB2 LYS 61 12.272 -29.971 -7.554 1.00 54.05 ATOM 999 CG LYS 61 10.899 -28.359 -7.605 1.00 51.35 ATOM 1000 HG1 LYS 61 11.554 -27.823 -8.278 1.00 37.05 ATOM 1001 HG2 LYS 61 11.093 -28.028 -6.602 1.00 21.32 ATOM 1002 CD LYS 61 9.463 -28.059 -8.000 1.00 75.04 ATOM 1003 HD1 LYS 61 8.848 -28.943 -7.925 1.00 37.05 ATOM 1004 HD2 LYS 61 9.463 -27.724 -9.017 1.00 13.23 ATOM 1005 CE LYS 61 8.856 -26.978 -7.119 1.00 2.20 ATOM 1006 HE1 LYS 61 9.474 -26.804 -6.248 1.00 37.05 ATOM 1007 HE2 LYS 61 7.883 -27.312 -6.792 1.00 63.13 ATOM 1008 NZ LYS 61 8.692 -25.692 -7.852 1.00 3.01 ATOM 1009 HZ1 LYS 61 8.471 -24.930 -7.179 1.00 50.45 ATOM 1010 HZ2 LYS 61 7.910 -25.767 -8.530 1.00 23.45 ATOM 1011 HZ3 LYS 61 9.566 -25.441 -8.363 1.00 54.14 ATOM 1012 C LYS 61 11.024 -32.114 -6.703 1.00 61.13 ATOM 1013 O LYS 61 11.399 -32.679 -7.730 1.00 50.14 ATOM 1014 N GLN 62 11.118 -32.665 -5.498 1.00 30.54 ATOM 1015 HN GLN 62 10.760 -32.216 -4.719 1.00 37.05 ATOM 1016 CA GLN 62 11.681 -33.997 -5.309 1.00 20.21 ATOM 1017 HA GLN 62 11.826 -34.460 -6.279 1.00 43.53 ATOM 1018 CB GLN 62 13.042 -33.905 -4.617 1.00 62.01 ATOM 1019 HB1 GLN 62 13.002 -33.125 -3.868 1.00 37.05 ATOM 1020 HB2 GLN 62 13.774 -33.630 -5.362 1.00 64.31 ATOM 1021 CG GLN 62 13.465 -35.194 -3.932 1.00 20.50 ATOM 1022 HG1 GLN 62 12.909 -36.033 -4.323 1.00 37.05 ATOM 1023 HG2 GLN 62 13.277 -35.104 -2.875 1.00 54.03 ATOM 1024 CD GLN 62 14.935 -35.506 -4.130 1.00 5.51 ATOM 1025 OE1 GLN 62 15.724 -34.631 -4.492 1.00 34.33 ATOM 1026 NE2 GLN 62 15.313 -36.756 -3.893 1.00 25.22 ATOM 1027 HE21 GLN 62 14.640 -37.414 -3.605 1.00 43.35 ATOM 1028 HE22 GLN 62 16.260 -36.977 -4.016 1.00 33.25 ATOM 1029 C GLN 62 10.740 -34.875 -4.491 1.00 30.24 ATOM 1030 O GLN 62 10.223 -34.453 -3.456 1.00 73.13 ATOM 1031 N VAL 63 10.522 -36.099 -4.961 1.00 73.20 ATOM 1032 HN VAL 63 10.937 -36.364 -5.814 1.00 37.05 ATOM 1033 CA VAL 63 9.643 -37.037 -4.273 1.00 23.44 ATOM 1034 HA VAL 63 8.648 -36.648 -4.325 1.00 63.11 ATOM 1035 CB VAL 63 9.661 -38.422 -4.948 1.00 53.51 ATOM 1036 HB VAL 63 9.278 -38.316 -5.952 1.00 40.41 ATOM 1037 CG1 VAL 63 11.083 -38.955 -5.036 1.00 55.24 ATOM 1038 HG11 VAL 63 11.456 -39.194 -4.053 1.00 71.14 ATOM 1039 HG12 VAL 63 11.734 -38.232 -5.500 1.00 42.42 ATOM 1040 HG13 VAL 63 11.081 -39.854 -5.635 1.00 11.44 ATOM 1041 CG2 VAL 63 8.764 -39.393 -4.195 1.00 41.41 ATOM 1042 HG21 VAL 63 9.140 -39.558 -3.197 1.00 31.44 ATOM 1043 HG22 VAL 63 8.738 -40.338 -4.713 1.00 11.43 ATOM 1044 HG23 VAL 63 7.762 -38.991 -4.138 1.00 22.14 ATOM 1045 C VAL 63 10.044 -37.193 -2.810 1.00 15.22 ATOM 1046 O VAL 63 11.190 -37.520 -2.500 1.00 33.44 ATOM 1047 N LEU 64 9.092 -36.956 -1.914 1.00 31.24 ATOM 1048 HN LEU 64 8.188 -36.705 -2.223 1.00 37.05 ATOM 1049 CA LEU 64 9.344 -37.070 -0.481 1.00 63.34 ATOM 1050 HA LEU 64 10.249 -36.520 -0.274 1.00 73.11 ATOM 1051 CB LEU 64 8.188 -36.458 0.311 1.00 74.23 ATOM 1052 HB1 LEU 64 7.351 -37.147 0.288 1.00 37.05 ATOM 1053 HB2 LEU 64 7.885 -35.548 -0.195 1.00 73.51 ATOM 1054 CG LEU 64 8.484 -36.110 1.770 1.00 54.32 ATOM 1055 HG LEU 64 8.763 -37.010 2.298 1.00 14.51 ATOM 1056 CD1 LEU 64 9.647 -35.134 1.860 1.00 15.13 ATOM 1057 HD11 LEU 64 9.774 -34.811 2.886 1.00 54.22 ATOM 1058 HD12 LEU 64 9.455 -34.276 1.240 1.00 74.21 ATOM 1059 HD13 LEU 64 10.553 -35.618 1.533 1.00 12.12 ATOM 1060 CD2 LEU 64 7.247 -35.532 2.442 1.00 55.34 ATOM 1061 HD21 LEU 64 7.467 -35.308 3.477 1.00 51.24 ATOM 1062 HD22 LEU 64 6.441 -36.252 2.398 1.00 72.41 ATOM 1063 HD23 LEU 64 6.946 -34.625 1.935 1.00 42.42 ATOM 1064 C LEU 64 9.537 -38.528 -0.077 1.00 22.41 ATOM 1065 O LEU 64 8.596 -39.322 -0.111 1.00 5.15 ATOM 1066 N ASP 65 10.761 -38.873 0.307 1.00 62.42 ATOM 1067 HN ASP 65 11.475 -38.191 0.318 1.00 37.05 ATOM 1068 CA ASP 65 11.077 -40.235 0.721 1.00 21.44 ATOM 1069 HA ASP 65 10.755 -40.909 -0.067 1.00 20.13 ATOM 1070 CB ASP 65 12.586 -40.395 0.915 1.00 71.31 ATOM 1071 HB1 ASP 65 12.788 -41.361 1.352 1.00 37.05 ATOM 1072 HB2 ASP 65 12.945 -39.622 1.577 1.00 1.12 ATOM 1073 CG ASP 65 13.350 -40.302 -0.391 1.00 42.20 ATOM 1074 OD1 ASP 65 14.378 -40.998 -0.529 1.00 33.52 ATOM 1075 OD2 ASP 65 12.920 -39.532 -1.276 1.00 25.54 ATOM 1076 C ASP 65 10.345 -40.594 2.011 1.00 65.41 ATOM 1077 O ASP 65 10.746 -40.182 3.100 1.00 0.32 ATOM 1078 N LEU 66 9.271 -41.364 1.880 1.00 32.35 ATOM 1079 HN LEU 66 9.000 -41.666 0.980 1.00 37.05 ATOM 1080 CA LEU 66 8.482 -41.779 3.035 1.00 13.44 ATOM 1081 HA LEU 66 8.185 -40.895 3.576 1.00 65.24 ATOM 1082 CB LEU 66 7.235 -42.540 2.580 1.00 44.42 ATOM 1083 HB1 LEU 66 6.770 -42.991 3.451 1.00 37.05 ATOM 1084 HB2 LEU 66 7.558 -43.334 1.920 1.00 70.14 ATOM 1085 CG LEU 66 6.174 -41.714 1.852 1.00 71.44 ATOM 1086 HG LEU 66 6.610 -41.284 0.962 1.00 61.25 ATOM 1087 CD1 LEU 66 5.011 -42.597 1.425 1.00 64.21 ATOM 1088 HD11 LEU 66 4.547 -43.037 2.297 1.00 43.34 ATOM 1089 HD12 LEU 66 5.372 -43.383 0.776 1.00 15.42 ATOM 1090 HD13 LEU 66 4.281 -42.003 0.892 1.00 61.15 ATOM 1091 CD2 LEU 66 5.685 -40.576 2.735 1.00 50.32 ATOM 1092 HD21 LEU 66 5.325 -40.970 3.676 1.00 4.05 ATOM 1093 HD22 LEU 66 4.880 -40.050 2.238 1.00 23.33 ATOM 1094 HD23 LEU 66 6.491 -39.885 2.919 1.00 64.33 ATOM 1095 C LEU 66 9.308 -42.650 3.975 1.00 23.14 ATOM 1096 O LEU 66 9.300 -42.452 5.191 1.00 73.44 ATOM 1097 N PHE 67 10.024 -43.614 3.405 1.00 55.23 ATOM 1098 HN PHE 67 9.983 -43.733 2.426 1.00 37.05 ATOM 1099 CA PHE 67 10.857 -44.515 4.191 1.00 22.25 ATOM 1100 HA PHE 67 10.202 -45.113 4.810 1.00 35.43 ATOM 1101 CB PHE 67 11.658 -45.438 3.270 1.00 4.52 ATOM 1102 HB1 PHE 67 12.425 -44.864 2.762 1.00 37.05 ATOM 1103 HB2 PHE 67 10.988 -45.850 2.525 1.00 13.52 ATOM 1104 CG PHE 67 12.324 -46.574 3.992 1.00 63.23 ATOM 1105 CD1 PHE 67 11.844 -47.868 3.867 1.00 53.21 ATOM 1106 HD1 PHE 67 10.982 -48.059 3.244 1.00 72.34 ATOM 1107 CD2 PHE 67 13.431 -46.349 4.794 1.00 21.23 ATOM 1108 HD2 PHE 67 13.829 -45.352 4.898 1.00 55.22 ATOM 1109 CE1 PHE 67 12.454 -48.915 4.530 1.00 22.24 ATOM 1110 HE1 PHE 67 12.084 -49.918 4.421 1.00 5.05 ATOM 1111 CE2 PHE 67 14.046 -47.393 5.460 1.00 41.11 ATOM 1112 HE2 PHE 67 14.909 -47.206 6.080 1.00 64.42 ATOM 1113 CZ PHE 67 13.557 -48.678 5.327 1.00 45.22 ATOM 1114 HZ PHE 67 14.035 -49.495 5.846 1.00 31.45 ATOM 1115 C PHE 67 11.805 -43.731 5.094 1.00 41.31 ATOM 1116 O PHE 67 11.898 -43.994 6.292 1.00 11.14 ATOM 1117 N MET 68 12.507 -42.766 4.508 1.00 25.41 ATOM 1118 HN MET 68 12.367 -42.588 3.549 1.00 37.05 ATOM 1119 CA MET 68 13.448 -41.943 5.259 1.00 41.21 ATOM 1120 HA MET 68 14.127 -42.596 5.786 1.00 43.32 ATOM 1121 CB MET 68 14.243 -41.044 4.309 1.00 31.34 ATOM 1122 HB1 MET 68 14.979 -40.488 4.866 1.00 37.05 ATOM 1123 HB2 MET 68 13.552 -40.354 3.846 1.00 71.12 ATOM 1124 CG MET 68 14.937 -41.805 3.191 1.00 1.04 ATOM 1125 HG1 MET 68 15.523 -41.108 2.610 1.00 37.05 ATOM 1126 HG2 MET 68 14.195 -42.260 2.560 1.00 62.31 ATOM 1127 SD MET 68 16.029 -43.101 3.807 1.00 5.31 ATOM 1128 CE MET 68 16.922 -42.214 5.082 1.00 52.11 ATOM 1129 HE1 MET 68 17.281 -41.277 4.684 1.00 54.24 ATOM 1130 HE2 MET 68 17.761 -42.809 5.413 1.00 63.01 ATOM 1131 HE3 MET 68 16.266 -42.023 5.918 1.00 13.32 ATOM 1132 C MET 68 12.719 -41.091 6.293 1.00 4.22 ATOM 1133 O MET 68 13.118 -41.034 7.458 1.00 74.25 ATOM 1134 N LEU 69 11.651 -40.430 5.862 1.00 42.53 ATOM 1135 HN LEU 69 11.387 -40.511 4.915 1.00 37.05 ATOM 1136 CA LEU 69 10.867 -39.580 6.751 1.00 54.32 ATOM 1137 HA LEU 69 11.509 -38.784 7.091 1.00 40.30 ATOM 1138 CB LEU 69 9.662 -39.002 6.005 1.00 23.22 ATOM 1139 HB1 LEU 69 8.776 -39.561 6.287 1.00 37.05 ATOM 1140 HB2 LEU 69 9.808 -39.140 4.946 1.00 33.04 ATOM 1141 CG LEU 69 9.376 -37.518 6.239 1.00 25.41 ATOM 1142 HG LEU 69 9.268 -37.342 7.300 1.00 75.05 ATOM 1143 CD1 LEU 69 10.532 -36.667 5.738 1.00 43.43 ATOM 1144 HD11 LEU 69 10.405 -35.656 6.097 1.00 33.23 ATOM 1145 HD12 LEU 69 10.511 -36.659 4.666 1.00 40.53 ATOM 1146 HD13 LEU 69 11.481 -37.048 6.080 1.00 1.33 ATOM 1147 CD2 LEU 69 8.078 -37.112 5.559 1.00 55.24 ATOM 1148 HD21 LEU 69 7.284 -37.785 5.828 1.00 53.04 ATOM 1149 HD22 LEU 69 8.208 -37.137 4.486 1.00 70.14 ATOM 1150 HD23 LEU 69 7.815 -36.109 5.863 1.00 30.13 ATOM 1151 C LEU 69 10.396 -40.360 7.974 1.00 15.31 ATOM 1152 O LEU 69 10.414 -39.848 9.094 1.00 60.30 ATOM 1153 N TYR 70 9.976 -41.600 7.753 1.00 71.35 ATOM 1154 HN TYR 70 9.979 -41.958 6.834 1.00 37.05 ATOM 1155 CA TYR 70 9.500 -42.451 8.837 1.00 71.24 ATOM 1156 HA TYR 70 8.767 -41.905 9.408 1.00 3.03 ATOM 1157 CB TYR 70 8.840 -43.711 8.272 1.00 4.24 ATOM 1158 HB1 TYR 70 9.466 -44.112 7.485 1.00 37.05 ATOM 1159 HB2 TYR 70 7.882 -43.452 7.851 1.00 34.14 ATOM 1160 CG TYR 70 8.626 -44.796 9.303 1.00 1.25 ATOM 1161 CD1 TYR 70 7.437 -44.878 10.018 1.00 63.03 ATOM 1162 HD1 TYR 70 6.656 -44.154 9.831 1.00 40.15 ATOM 1163 CD2 TYR 70 9.613 -45.739 9.563 1.00 74.43 ATOM 1164 HD2 TYR 70 10.546 -45.693 9.017 1.00 31.32 ATOM 1165 CE1 TYR 70 7.238 -45.867 10.961 1.00 33.21 ATOM 1166 HE1 TYR 70 6.314 -45.929 11.487 1.00 33.25 ATOM 1167 CE2 TYR 70 9.421 -46.733 10.503 1.00 22.03 ATOM 1168 HE2 TYR 70 10.200 -47.457 10.690 1.00 11.41 ATOM 1169 CZ TYR 70 8.232 -46.792 11.200 1.00 24.41 ATOM 1170 OH TYR 70 8.037 -47.780 12.138 1.00 31.11 ATOM 1171 HH TYR 70 8.562 -47.594 12.923 1.00 74.40 ATOM 1172 C TYR 70 10.644 -42.837 9.769 1.00 1.21 ATOM 1173 O TYR 70 10.538 -42.706 10.989 1.00 51.14 ATOM 1174 N VAL 71 11.740 -43.313 9.186 1.00 54.23 ATOM 1175 HN VAL 71 11.770 -43.381 8.203 1.00 37.05 ATOM 1176 CA VAL 71 12.906 -43.716 9.962 1.00 34.33 ATOM 1177 HA VAL 71 12.600 -44.490 10.654 1.00 12.05 ATOM 1178 CB VAL 71 14.012 -44.290 9.057 1.00 11.01 ATOM 1179 HB VAL 71 14.282 -43.539 8.328 1.00 33.45 ATOM 1180 CG1 VAL 71 15.250 -44.626 9.874 1.00 20.02 ATOM 1181 HG11 VAL 71 15.950 -45.183 9.263 1.00 2.11 ATOM 1182 HG12 VAL 71 14.976 -45.224 10.732 1.00 23.23 ATOM 1183 HG13 VAL 71 15.729 -43.717 10.207 1.00 61.42 ATOM 1184 CG2 VAL 71 13.507 -45.515 8.311 1.00 72.53 ATOM 1185 HG21 VAL 71 12.528 -45.347 7.908 1.00 34.40 ATOM 1186 HG22 VAL 71 13.466 -46.363 8.982 1.00 0.40 ATOM 1187 HG23 VAL 71 14.190 -45.731 7.511 1.00 50.23 ATOM 1188 C VAL 71 13.471 -42.543 10.755 1.00 35.24 ATOM 1189 O VAL 71 13.925 -42.707 11.889 1.00 52.14 ATOM 1190 N LEU 72 13.439 -41.360 10.153 1.00 10.53 ATOM 1191 HN LEU 72 13.069 -41.288 9.244 1.00 37.05 ATOM 1192 CA LEU 72 13.947 -40.157 10.803 1.00 5.35 ATOM 1193 HA LEU 72 14.906 -40.394 11.215 1.00 63.32 ATOM 1194 CB LEU 72 14.087 -39.023 9.786 1.00 75.11 ATOM 1195 HB1 LEU 72 13.860 -38.098 10.270 1.00 37.05 ATOM 1196 HB2 LEU 72 13.361 -39.162 8.999 1.00 41.22 ATOM 1197 CG LEU 72 15.466 -38.861 9.146 1.00 12.11 ATOM 1198 HG LEU 72 15.450 -38.007 8.485 1.00 4.44 ATOM 1199 CD1 LEU 72 16.522 -38.610 10.211 1.00 21.41 ATOM 1200 HD11 LEU 72 16.223 -37.778 10.835 1.00 1.43 ATOM 1201 HD12 LEU 72 17.460 -38.370 9.731 1.00 35.21 ATOM 1202 HD13 LEU 72 16.654 -39.489 10.823 1.00 45.20 ATOM 1203 CD2 LEU 72 15.819 -40.090 8.321 1.00 52.32 ATOM 1204 HD21 LEU 72 15.189 -40.125 7.451 1.00 23.41 ATOM 1205 HD22 LEU 72 15.685 -40.990 8.904 1.00 24.13 ATOM 1206 HD23 LEU 72 16.851 -40.028 8.000 1.00 64.23 ATOM 1207 C LEU 72 13.029 -39.724 11.942 1.00 5.50 ATOM 1208 O LEU 72 13.476 -39.525 13.072 1.00 13.30 ATOM 1209 N VAL 73 11.744 -39.581 11.637 1.00 75.10 ATOM 1210 HN VAL 73 11.446 -39.758 10.713 1.00 37.05 ATOM 1211 CA VAL 73 10.761 -39.175 12.635 1.00 5.02 ATOM 1212 HA VAL 73 11.040 -38.196 13.006 1.00 50.51 ATOM 1213 CB VAL 73 9.349 -39.081 12.027 1.00 3.24 ATOM 1214 HB VAL 73 9.130 -40.018 11.540 1.00 54.34 ATOM 1215 CG1 VAL 73 8.313 -38.851 13.117 1.00 61.21 ATOM 1216 HG11 VAL 73 8.663 -38.118 13.818 1.00 53.34 ATOM 1217 HG12 VAL 73 8.121 -39.778 13.636 1.00 33.44 ATOM 1218 HG13 VAL 73 7.386 -38.505 12.676 1.00 72.30 ATOM 1219 CG2 VAL 73 9.292 -37.976 10.984 1.00 54.52 ATOM 1220 HG21 VAL 73 10.121 -38.054 10.303 1.00 3.54 ATOM 1221 HG22 VAL 73 9.338 -37.013 11.475 1.00 5.14 ATOM 1222 HG23 VAL 73 8.370 -38.046 10.436 1.00 23.34 ATOM 1223 C VAL 73 10.734 -40.149 13.808 1.00 63.25 ATOM 1224 O VAL 73 10.540 -39.751 14.957 1.00 45.24 ATOM 1225 N THR 74 10.931 -41.430 13.510 1.00 34.13 ATOM 1226 HN THR 74 11.073 -41.698 12.572 1.00 37.05 ATOM 1227 CA THR 74 10.928 -42.462 14.539 1.00 62.51 ATOM 1228 HA THR 74 10.055 -42.319 15.168 1.00 64.51 ATOM 1229 CB THR 74 10.854 -43.871 13.921 1.00 62.43 ATOM 1230 HB THR 74 11.006 -44.610 14.700 1.00 54.01 ATOM 1231 OG1 THR 74 11.874 -44.024 12.927 1.00 74.24 ATOM 1232 HG1 THR 74 12.087 -44.955 12.823 1.00 3.14 ATOM 1233 CG2 THR 74 9.489 -44.117 13.296 1.00 20.44 ATOM 1234 HG21 THR 74 9.581 -44.872 12.537 1.00 3.42 ATOM 1235 HG22 THR 74 9.103 -43.208 12.853 1.00 61.40 ATOM 1236 HG23 THR 74 8.805 -44.461 14.058 1.00 60.40 ATOM 1237 C THR 74 12.172 -42.369 15.415 1.00 43.12 ATOM 1238 O THR 74 12.079 -42.360 16.642 1.00 71.44 ATOM 1239 N GLU 75 13.336 -42.298 14.776 1.00 21.21 ATOM 1240 HN GLU 75 13.347 -42.311 13.789 1.00 37.05 ATOM 1241 CA GLU 75 14.599 -42.205 15.499 1.00 30.22 ATOM 1242 HA GLU 75 14.700 -43.090 16.113 1.00 42.33 ATOM 1243 CB GLU 75 15.771 -42.150 14.517 1.00 4.35 ATOM 1244 HB1 GLU 75 15.595 -42.856 13.718 1.00 37.05 ATOM 1245 HB2 GLU 75 16.662 -42.448 15.052 1.00 51.24 ATOM 1246 CG GLU 75 15.988 -40.776 13.905 1.00 2.04 ATOM 1247 HG1 GLU 75 15.663 -39.990 14.557 1.00 37.05 ATOM 1248 HG2 GLU 75 15.433 -40.734 13.002 1.00 73.34 ATOM 1249 CD GLU 75 17.441 -40.514 13.560 1.00 2.11 ATOM 1250 OE1 GLU 75 17.795 -39.338 13.333 1.00 20.14 ATOM 1251 OE2 GLU 75 18.225 -41.486 13.517 1.00 13.41 ATOM 1252 C GLU 75 14.619 -40.976 16.403 1.00 43.32 ATOM 1253 O GLU 75 15.398 -40.902 17.354 1.00 70.33 ATOM 1254 N LYS 76 13.758 -40.011 16.099 1.00 51.15 ATOM 1255 HN LYS 76 13.195 -40.081 15.300 1.00 37.05 ATOM 1256 CA LYS 76 13.675 -38.784 16.882 1.00 54.12 ATOM 1257 HA LYS 76 14.653 -38.565 17.292 1.00 42.40 ATOM 1258 CB LYS 76 13.230 -37.618 15.996 1.00 74.12 ATOM 1259 HB1 LYS 76 12.975 -36.767 16.618 1.00 37.05 ATOM 1260 HB2 LYS 76 12.353 -37.919 15.443 1.00 34.31 ATOM 1261 CG LYS 76 14.286 -37.173 14.999 1.00 23.55 ATOM 1262 HG1 LYS 76 13.868 -36.388 14.389 1.00 37.05 ATOM 1263 HG2 LYS 76 14.564 -38.007 14.381 1.00 44.51 ATOM 1264 CD LYS 76 15.532 -36.657 15.701 1.00 74.34 ATOM 1265 HD1 LYS 76 16.147 -37.507 15.960 1.00 37.05 ATOM 1266 HD2 LYS 76 15.271 -36.131 16.602 1.00 64.12 ATOM 1267 CE LYS 76 16.343 -35.743 14.795 1.00 73.30 ATOM 1268 HE1 LYS 76 15.740 -34.900 14.500 1.00 37.05 ATOM 1269 HE2 LYS 76 16.631 -36.299 13.913 1.00 52.21 ATOM 1270 NZ LYS 76 17.578 -35.252 15.466 1.00 63.24 ATOM 1271 HZ1 LYS 76 18.207 -36.051 15.691 1.00 54.43 ATOM 1272 HZ2 LYS 76 17.342 -34.753 16.348 1.00 42.53 ATOM 1273 HZ3 LYS 76 18.085 -34.596 14.838 1.00 50.20 ATOM 1274 C LYS 76 12.706 -38.948 18.049 1.00 40.04 ATOM 1275 O LYS 76 12.732 -38.172 19.003 1.00 75.00 ATOM 1276 N GLY 77 11.853 -39.965 17.966 1.00 41.33 ATOM 1277 HN GLY 77 11.849 -40.545 17.188 1.00 37.05 ATOM 1278 CA GLY 77 10.889 -40.213 19.022 1.00 4.40 ATOM 1279 HA1 GLY 77 10.875 -39.392 19.729 1.00 37.05 ATOM 1280 HA2 GLY 77 11.180 -41.110 19.547 1.00 32.10 ATOM 1281 C GLY 77 9.483 -40.405 18.490 1.00 21.33 ATOM 1282 O GLY 77 8.672 -41.103 19.098 1.00 2.31 ATOM 1283 N GLY 78 9.192 -39.784 17.352 1.00 40.55 ATOM 1284 HN GLY 78 9.869 -39.231 16.900 1.00 37.05 ATOM 1285 CA GLY 78 7.873 -39.901 16.758 1.00 32.23 ATOM 1286 HA1 GLY 78 7.157 -40.254 17.491 1.00 37.05 ATOM 1287 HA2 GLY 78 7.921 -40.618 15.953 1.00 4.53 ATOM 1288 C GLY 78 7.369 -38.585 16.200 1.00 72.22 ATOM 1289 O GLY 78 7.957 -37.531 16.446 1.00 22.52 ATOM 1290 N LEU 79 6.278 -38.644 15.444 1.00 31.21 ATOM 1291 HN LEU 79 5.853 -39.520 15.279 1.00 37.05 ATOM 1292 CA LEU 79 5.695 -37.448 14.847 1.00 1.40 ATOM 1293 HA LEU 79 6.394 -37.076 14.113 1.00 44.52 ATOM 1294 CB LEU 79 4.374 -37.790 14.156 1.00 20.01 ATOM 1295 HB1 LEU 79 3.716 -38.234 14.891 1.00 37.05 ATOM 1296 HB2 LEU 79 4.586 -38.530 13.404 1.00 43.14 ATOM 1297 CG LEU 79 3.637 -36.622 13.500 1.00 43.12 ATOM 1298 HG LEU 79 3.292 -35.962 14.269 1.00 41.03 ATOM 1299 CD1 LEU 79 4.571 -35.851 12.579 1.00 21.35 ATOM 1300 HD11 LEU 79 5.294 -35.314 13.175 1.00 4.00 ATOM 1301 HD12 LEU 79 4.006 -35.141 11.988 1.00 1.22 ATOM 1302 HD13 LEU 79 5.089 -36.529 11.923 1.00 11.03 ATOM 1303 CD2 LEU 79 2.422 -37.122 12.732 1.00 12.55 ATOM 1304 HD21 LEU 79 2.735 -37.773 11.929 1.00 63.14 ATOM 1305 HD22 LEU 79 1.890 -36.279 12.330 1.00 4.33 ATOM 1306 HD23 LEU 79 1.769 -37.666 13.401 1.00 44.40 ATOM 1307 C LEU 79 5.466 -36.369 15.901 1.00 22.22 ATOM 1308 O LEU 79 5.933 -35.239 15.760 1.00 42.11 ATOM 1309 N VAL 80 4.746 -36.727 16.960 1.00 51.14 ATOM 1310 HN VAL 80 4.424 -37.656 17.023 1.00 37.05 ATOM 1311 CA VAL 80 4.458 -35.791 18.040 1.00 73.11 ATOM 1312 HA VAL 80 3.859 -34.984 17.635 1.00 53.24 ATOM 1313 CB VAL 80 3.661 -36.468 19.171 1.00 10.11 ATOM 1314 HB VAL 80 4.253 -37.276 19.559 1.00 21.11 ATOM 1315 CG1 VAL 80 3.401 -35.486 20.303 1.00 51.51 ATOM 1316 HG11 VAL 80 3.275 -34.485 19.907 1.00 12.34 ATOM 1317 HG12 VAL 80 4.239 -35.494 20.982 1.00 71.44 ATOM 1318 HG13 VAL 80 2.513 -35.758 20.838 1.00 1.23 ATOM 1319 CG2 VAL 80 2.355 -37.036 18.636 1.00 11.33 ATOM 1320 HG21 VAL 80 1.789 -36.249 18.183 1.00 44.41 ATOM 1321 HG22 VAL 80 1.779 -37.459 19.440 1.00 74.42 ATOM 1322 HG23 VAL 80 2.557 -37.799 17.903 1.00 64.33 ATOM 1323 C VAL 80 5.742 -35.206 18.617 1.00 14.12 ATOM 1324 O VAL 80 5.880 -33.989 18.740 1.00 61.43 ATOM 1325 N GLU 81 6.678 -36.081 18.970 1.00 43.03 ATOM 1326 HN GLU 81 6.506 -37.046 18.850 1.00 37.05 ATOM 1327 CA GLU 81 7.952 -35.650 19.535 1.00 54.03 ATOM 1328 HA GLU 81 7.750 -35.153 20.474 1.00 72.14 ATOM 1329 CB GLU 81 8.853 -36.858 19.798 1.00 42.14 ATOM 1330 HB1 GLU 81 9.082 -37.332 18.852 1.00 37.05 ATOM 1331 HB2 GLU 81 8.303 -37.562 20.405 1.00 32.01 ATOM 1332 CG GLU 81 10.164 -36.502 20.478 1.00 21.25 ATOM 1333 HG1 GLU 81 10.153 -35.462 20.780 1.00 37.05 ATOM 1334 HG2 GLU 81 10.968 -36.656 19.776 1.00 43.44 ATOM 1335 CD GLU 81 10.431 -37.349 21.708 1.00 45.22 ATOM 1336 OE1 GLU 81 9.473 -37.624 22.459 1.00 30.12 ATOM 1337 OE2 GLU 81 11.600 -37.736 21.918 1.00 61.01 ATOM 1338 C GLU 81 8.656 -34.669 18.602 1.00 3.12 ATOM 1339 O GLU 81 9.349 -33.756 19.052 1.00 50.11 ATOM 1340 N VAL 82 8.475 -34.865 17.300 1.00 14.40 ATOM 1341 HN VAL 82 7.925 -35.621 16.989 1.00 37.05 ATOM 1342 CA VAL 82 9.092 -33.998 16.303 1.00 13.12 ATOM 1343 HA VAL 82 10.116 -33.831 16.595 1.00 43.34 ATOM 1344 CB VAL 82 9.082 -34.651 14.908 1.00 21.13 ATOM 1345 HB VAL 82 8.060 -34.867 14.635 1.00 11.03 ATOM 1346 CG1 VAL 82 9.657 -33.701 13.869 1.00 2.54 ATOM 1347 HG11 VAL 82 9.065 -33.782 12.971 1.00 73.35 ATOM 1348 HG12 VAL 82 10.674 -33.979 13.630 1.00 54.12 ATOM 1349 HG13 VAL 82 9.651 -32.677 14.194 1.00 12.35 ATOM 1350 CG2 VAL 82 9.854 -35.962 14.929 1.00 51.20 ATOM 1351 HG21 VAL 82 9.454 -36.618 15.666 1.00 53.21 ATOM 1352 HG22 VAL 82 10.891 -35.764 15.162 1.00 24.21 ATOM 1353 HG23 VAL 82 9.795 -36.428 13.958 1.00 43.31 ATOM 1354 C VAL 82 8.378 -32.653 16.227 1.00 3.33 ATOM 1355 O VAL 82 9.018 -31.601 16.192 1.00 15.10 ATOM 1356 N ILE 83 7.050 -32.694 16.203 1.00 24.11 ATOM 1357 HN ILE 83 6.594 -33.566 16.248 1.00 37.05 ATOM 1358 CA ILE 83 6.250 -31.478 16.133 1.00 31.01 ATOM 1359 HA ILE 83 6.542 -30.932 15.243 1.00 4.53 ATOM 1360 CB ILE 83 4.747 -31.798 16.033 1.00 72.50 ATOM 1361 HB ILE 83 4.464 -32.358 16.915 1.00 0.05 ATOM 1362 CG1 ILE 83 4.464 -32.639 14.786 1.00 23.43 ATOM 1363 HG11 ILE 83 5.253 -33.350 14.624 1.00 37.05 ATOM 1364 HG12 ILE 83 4.413 -32.003 13.930 1.00 34.21 ATOM 1365 CG2 ILE 83 3.932 -30.514 16.008 1.00 50.02 ATOM 1366 HG21 ILE 83 4.390 -29.804 15.338 1.00 45.44 ATOM 1367 HG22 ILE 83 3.889 -30.092 17.001 1.00 13.50 ATOM 1368 HG23 ILE 83 2.923 -30.720 15.674 1.00 71.21 ATOM 1369 CD1 ILE 83 3.172 -33.421 14.865 1.00 31.41 ATOM 1370 HD11 ILE 83 2.352 -32.749 15.068 1.00 64.31 ATOM 1371 HD12 ILE 83 3.242 -34.149 15.659 1.00 14.23 ATOM 1372 HD13 ILE 83 2.996 -33.927 13.932 1.00 42.24 ATOM 1373 C ILE 83 6.489 -30.592 17.351 1.00 42.55 ATOM 1374 O ILE 83 6.452 -29.366 17.255 1.00 3.41 ATOM 1375 N ASN 84 6.736 -31.221 18.495 1.00 64.13 ATOM 1376 HN ASN 84 6.750 -32.206 18.520 1.00 37.05 ATOM 1377 CA ASN 84 6.984 -30.489 19.732 1.00 74.32 ATOM 1378 HA ASN 84 6.357 -29.603 19.742 1.00 22.41 ATOM 1379 CB ASN 84 6.631 -31.357 20.941 1.00 31.34 ATOM 1380 HB1 ASN 84 6.972 -30.871 21.848 1.00 37.05 ATOM 1381 HB2 ASN 84 7.130 -32.310 20.844 1.00 52.23 ATOM 1382 CG ASN 84 5.138 -31.593 21.068 1.00 2.14 ATOM 1383 OD1 ASN 84 4.336 -30.679 20.879 1.00 51.42 ATOM 1384 ND2 ASN 84 4.759 -32.824 21.391 1.00 21.01 ATOM 1385 HD21 ASN 84 5.444 -33.516 21.532 1.00 33.03 ATOM 1386 HD22 ASN 84 3.798 -32.996 21.477 1.00 31.32 ATOM 1387 C ASN 84 8.440 -30.044 19.819 1.00 62.03 ATOM 1388 O ASN 84 8.737 -28.939 20.272 1.00 4.41 ATOM 1389 N LYS 85 9.346 -30.912 19.380 1.00 34.15 ATOM 1390 HN LYS 85 9.053 -31.788 19.034 1.00 37.05 ATOM 1391 CA LYS 85 10.772 -30.610 19.406 1.00 13.51 ATOM 1392 HA LYS 85 11.023 -30.231 20.391 1.00 52.44 ATOM 1393 CB LYS 85 11.588 -31.875 19.134 1.00 74.32 ATOM 1394 HB1 LYS 85 12.574 -31.596 18.778 1.00 37.05 ATOM 1395 HB2 LYS 85 11.098 -32.440 18.361 1.00 33.13 ATOM 1396 CG LYS 85 11.745 -32.771 20.350 1.00 2.14 ATOM 1397 HG1 LYS 85 11.462 -33.776 20.077 1.00 37.05 ATOM 1398 HG2 LYS 85 11.107 -32.430 21.156 1.00 5.34 ATOM 1399 CD LYS 85 13.185 -32.804 20.835 1.00 33.45 ATOM 1400 HD1 LYS 85 13.833 -33.087 20.016 1.00 37.05 ATOM 1401 HD2 LYS 85 13.266 -33.537 21.625 1.00 0.32 ATOM 1402 CE LYS 85 13.624 -31.450 21.371 1.00 30.44 ATOM 1403 HE1 LYS 85 12.788 -30.962 21.858 1.00 37.05 ATOM 1404 HE2 LYS 85 13.959 -30.843 20.544 1.00 62.54 ATOM 1405 NZ LYS 85 14.735 -31.577 22.355 1.00 41.13 ATOM 1406 HZ1 LYS 85 15.011 -30.636 22.701 1.00 51.21 ATOM 1407 HZ2 LYS 85 15.563 -32.024 21.911 1.00 61.45 ATOM 1408 HZ3 LYS 85 14.435 -32.156 23.167 1.00 53.34 ATOM 1409 C LYS 85 11.119 -29.537 18.378 1.00 31.32 ATOM 1410 O LYS 85 12.188 -28.929 18.437 1.00 13.11 ATOM 1411 N LYS 86 10.209 -29.309 17.437 1.00 32.34 ATOM 1412 HN LYS 86 9.393 -29.844 17.387 1.00 37.05 ATOM 1413 CA LYS 86 10.417 -28.308 16.398 1.00 73.43 ATOM 1414 HA LYS 86 9.619 -28.407 15.680 1.00 61.10 ATOM 1415 CB LYS 86 10.383 -26.902 17.001 1.00 73.25 ATOM 1416 HB1 LYS 86 10.599 -26.179 16.227 1.00 37.05 ATOM 1417 HB2 LYS 86 11.146 -26.830 17.763 1.00 44.54 ATOM 1418 CG LYS 86 9.051 -26.546 17.639 1.00 62.13 ATOM 1419 HG1 LYS 86 9.184 -25.662 18.248 1.00 37.05 ATOM 1420 HG2 LYS 86 8.732 -27.364 18.272 1.00 1.12 ATOM 1421 CD LYS 86 7.980 -26.296 16.591 1.00 53.32 ATOM 1422 HD1 LYS 86 7.047 -26.667 16.978 1.00 37.05 ATOM 1423 HD2 LYS 86 8.215 -26.816 15.673 1.00 15.04 ATOM 1424 CE LYS 86 7.829 -24.812 16.291 1.00 32.14 ATOM 1425 HE1 LYS 86 7.870 -24.246 17.212 1.00 37.05 ATOM 1426 HE2 LYS 86 6.876 -24.648 15.820 1.00 42.53 ATOM 1427 NZ LYS 86 8.892 -24.321 15.372 1.00 41.22 ATOM 1428 HZ1 LYS 86 9.801 -24.270 15.871 1.00 52.31 ATOM 1429 HZ2 LYS 86 8.650 -23.369 15.030 1.00 34.04 ATOM 1430 HZ3 LYS 86 8.991 -24.953 14.549 1.00 22.12 ATOM 1431 C LYS 86 11.745 -28.534 15.683 1.00 70.43 ATOM 1432 O LYS 86 12.347 -27.596 15.158 1.00 73.51 ATOM 1433 N LEU 87 12.197 -29.784 15.664 1.00 14.43 ATOM 1434 HN LEU 87 11.653 -30.492 16.041 1.00 37.05 ATOM 1435 CA LEU 87 13.454 -30.133 15.012 1.00 74.22 ATOM 1436 HA LEU 87 14.095 -29.259 14.988 1.00 14.03 ATOM 1437 CB LEU 87 14.171 -31.232 15.798 1.00 1.43 ATOM 1438 HB1 LEU 87 14.002 -31.057 16.854 1.00 37.05 ATOM 1439 HB2 LEU 87 15.231 -31.137 15.606 1.00 72.04 ATOM 1440 CG LEU 87 13.760 -32.668 15.473 1.00 51.02 ATOM 1441 HG LEU 87 14.095 -32.935 14.486 1.00 50.31 ATOM 1442 CD1 LEU 87 14.418 -33.643 16.436 1.00 24.13 ATOM 1443 HD11 LEU 87 14.025 -34.626 16.262 1.00 73.21 ATOM 1444 HD12 LEU 87 14.202 -33.351 17.456 1.00 31.23 ATOM 1445 HD13 LEU 87 15.483 -33.640 16.281 1.00 1.12 ATOM 1446 CD2 LEU 87 12.246 -32.812 15.517 1.00 34.30 ATOM 1447 HD21 LEU 87 11.781 -32.224 14.751 1.00 75.31 ATOM 1448 HD22 LEU 87 11.882 -32.501 16.476 1.00 15.20 ATOM 1449 HD23 LEU 87 11.984 -33.851 15.366 1.00 10.41 ATOM 1450 C LEU 87 13.213 -30.593 13.578 1.00 60.35 ATOM 1451 O LEU 87 14.050 -31.274 12.985 1.00 4.01 ATOM 1452 N TRP 88 12.066 -30.216 13.025 1.00 12.44 ATOM 1453 HN TRP 88 11.426 -29.681 13.527 1.00 37.05 ATOM 1454 CA TRP 88 11.716 -30.588 11.659 1.00 3.12 ATOM 1455 HA TRP 88 11.503 -31.648 11.651 1.00 52.10 ATOM 1456 CB TRP 88 10.482 -29.812 11.197 1.00 11.32 ATOM 1457 HB1 TRP 88 10.528 -29.652 10.127 1.00 37.05 ATOM 1458 HB2 TRP 88 10.469 -28.855 11.694 1.00 61.32 ATOM 1459 CG TRP 88 9.192 -30.516 11.494 1.00 43.35 ATOM 1460 CD1 TRP 88 8.194 -30.084 12.319 1.00 53.21 ATOM 1461 HD1 TRP 88 8.220 -29.162 12.878 1.00 44.43 ATOM 1462 CD2 TRP 88 8.764 -31.777 10.968 1.00 0.20 ATOM 1463 NE1 TRP 88 7.170 -31.001 12.338 1.00 3.52 ATOM 1464 HE1 TRP 88 6.341 -30.918 12.855 1.00 4.41 ATOM 1465 CE2 TRP 88 7.495 -32.048 11.517 1.00 3.41 ATOM 1466 CE3 TRP 88 9.327 -32.702 10.086 1.00 65.43 ATOM 1467 HE3 TRP 88 10.292 -32.529 9.643 1.00 51.31 ATOM 1468 CZ2 TRP 88 6.784 -33.205 11.212 1.00 25.34 ATOM 1469 HZ2 TRP 88 5.814 -33.407 11.639 1.00 15.13 ATOM 1470 CZ3 TRP 88 8.621 -33.851 9.785 1.00 72.04 ATOM 1471 HZ3 TRP 88 9.037 -34.575 9.104 1.00 74.20 ATOM 1472 CH2 TRP 88 7.360 -34.094 10.346 1.00 61.32 ATOM 1473 HH2 TRP 88 6.844 -35.006 10.083 1.00 3.35 ATOM 1474 C TRP 88 12.880 -30.328 10.709 1.00 3.04 ATOM 1475 O TRP 88 13.047 -31.029 9.711 1.00 2.02 ATOM 1476 N ARG 89 13.683 -29.317 11.026 1.00 33.03 ATOM 1477 HN ARG 89 13.481 -28.776 11.816 1.00 37.05 ATOM 1478 CA ARG 89 14.831 -28.965 10.200 1.00 52.23 ATOM 1479 HA ARG 89 14.460 -28.594 9.256 1.00 23.41 ATOM 1480 CB ARG 89 15.655 -27.867 10.875 1.00 30.22 ATOM 1481 HB1 ARG 89 16.375 -27.494 10.161 1.00 37.05 ATOM 1482 HB2 ARG 89 16.189 -28.296 11.716 1.00 25.03 ATOM 1483 CG ARG 89 14.817 -26.713 11.401 1.00 24.01 ATOM 1484 HG1 ARG 89 14.940 -26.655 12.473 1.00 37.05 ATOM 1485 HG2 ARG 89 13.772 -26.858 11.166 1.00 52.41 ATOM 1486 CD ARG 89 15.246 -25.389 10.788 1.00 71.11 ATOM 1487 HD1 ARG 89 14.828 -25.314 9.795 1.00 37.05 ATOM 1488 HD2 ARG 89 16.328 -25.370 10.726 1.00 34.20 ATOM 1489 NE ARG 89 14.797 -24.248 11.581 1.00 3.12 ATOM 1490 HE ARG 89 14.092 -24.402 12.253 1.00 32.45 ATOM 1491 CZ ARG 89 15.283 -23.019 11.442 1.00 61.43 ATOM 1492 NH1 ARG 89 16.228 -22.775 10.544 1.00 13.51 ATOM 1493 HH11 ARG 89 16.591 -23.494 9.957 1.00 10.21 ATOM 1494 HH12 ARG 89 16.590 -21.845 10.449 1.00 20.32 ATOM 1495 NH2 ARG 89 14.824 -22.033 12.201 1.00 53.22 ATOM 1496 HH21 ARG 89 14.110 -22.211 12.881 1.00 15.44 ATOM 1497 HH22 ARG 89 15.189 -21.105 12.098 1.00 0.12 ATOM 1498 C ARG 89 15.708 -30.186 9.938 1.00 14.02 ATOM 1499 O ARG 89 16.177 -30.396 8.820 1.00 22.35 ATOM 1500 N GLU 90 15.924 -30.987 10.977 1.00 15.43 ATOM 1501 HN GLU 90 15.502 -30.777 11.842 1.00 37.05 ATOM 1502 CA GLU 90 16.745 -32.186 10.859 1.00 10.42 ATOM 1503 HA GLU 90 17.704 -31.898 10.460 1.00 25.44 ATOM 1504 CB GLU 90 16.945 -32.831 12.232 1.00 3.31 ATOM 1505 HB1 GLU 90 17.600 -33.688 12.131 1.00 37.05 ATOM 1506 HB2 GLU 90 15.985 -33.168 12.602 1.00 52.11 ATOM 1507 CG GLU 90 17.536 -31.888 13.267 1.00 25.31 ATOM 1508 HG1 GLU 90 17.413 -32.336 14.242 1.00 37.05 ATOM 1509 HG2 GLU 90 17.017 -30.943 13.248 1.00 22.22 ATOM 1510 CD GLU 90 19.015 -31.633 13.047 1.00 70.41 ATOM 1511 OE1 GLU 90 19.695 -31.218 14.008 1.00 45.33 ATOM 1512 OE2 GLU 90 19.491 -31.850 11.913 1.00 62.12 ATOM 1513 C GLU 90 16.109 -33.189 9.902 1.00 53.14 ATOM 1514 O GLU 90 16.785 -33.763 9.048 1.00 43.34 ATOM 1515 N ILE 91 14.805 -33.395 10.051 1.00 74.21 ATOM 1516 HN ILE 91 14.319 -32.880 10.731 1.00 37.05 ATOM 1517 CA ILE 91 14.077 -34.328 9.200 1.00 71.32 ATOM 1518 HA ILE 91 14.505 -35.312 9.337 1.00 33.14 ATOM 1519 CB ILE 91 12.583 -34.381 9.570 1.00 10.34 ATOM 1520 HB ILE 91 12.141 -33.426 9.336 1.00 3.41 ATOM 1521 CG1 ILE 91 12.416 -34.651 11.067 1.00 33.11 ATOM 1522 HG11 ILE 91 11.361 -34.720 11.299 1.00 37.05 ATOM 1523 HG12 ILE 91 12.840 -33.842 11.636 1.00 45.14 ATOM 1524 CG2 ILE 91 11.871 -35.447 8.751 1.00 1.22 ATOM 1525 HG21 ILE 91 10.872 -35.596 9.132 1.00 52.31 ATOM 1526 HG22 ILE 91 12.413 -36.381 8.811 1.00 23.41 ATOM 1527 HG23 ILE 91 11.810 -35.133 7.720 1.00 61.24 ATOM 1528 CD1 ILE 91 13.069 -35.936 11.526 1.00 45.32 ATOM 1529 HD11 ILE 91 12.878 -36.067 12.577 1.00 13.32 ATOM 1530 HD12 ILE 91 14.134 -35.899 11.361 1.00 14.15 ATOM 1531 HD13 ILE 91 12.642 -36.764 10.989 1.00 65.34 ATOM 1532 C ILE 91 14.211 -33.950 7.729 1.00 42.23 ATOM 1533 O ILE 91 14.468 -34.802 6.877 1.00 13.22 ATOM 1534 N THR 92 14.038 -32.665 7.436 1.00 51.44 ATOM 1535 HN THR 92 13.830 -32.026 8.159 1.00 37.05 ATOM 1536 CA THR 92 14.140 -32.172 6.068 1.00 62.12 ATOM 1537 HA THR 92 13.465 -32.757 5.453 1.00 60.10 ATOM 1538 CB THR 92 13.748 -30.685 5.975 1.00 21.42 ATOM 1539 HB THR 92 14.557 -30.117 5.527 1.00 35.11 ATOM 1540 OG1 THR 92 13.499 -30.162 7.285 1.00 45.24 ATOM 1541 HG1 THR 92 13.628 -29.210 7.284 1.00 52.34 ATOM 1542 CG2 THR 92 12.511 -30.505 5.108 1.00 2.11 ATOM 1543 HG21 THR 92 11.820 -31.314 5.267 1.00 73.44 ATOM 1544 HG22 THR 92 12.806 -30.490 4.069 1.00 2.02 ATOM 1545 HG23 THR 92 12.039 -29.568 5.353 1.00 43.30 ATOM 1546 C THR 92 15.554 -32.348 5.524 1.00 15.14 ATOM 1547 O THR 92 15.747 -32.857 4.420 1.00 33.11 ATOM 1548 N LYS 93 16.540 -31.924 6.307 1.00 62.21 ATOM 1549 HN LYS 93 16.322 -31.522 7.182 1.00 37.05 ATOM 1550 CA LYS 93 17.938 -32.036 5.906 1.00 75.32 ATOM 1551 HA LYS 93 18.055 -31.507 4.967 1.00 72.42 ATOM 1552 CB LYS 93 18.845 -31.402 6.962 1.00 23.53 ATOM 1553 HB1 LYS 93 19.143 -32.155 7.682 1.00 37.05 ATOM 1554 HB2 LYS 93 18.290 -30.637 7.492 1.00 23.13 ATOM 1555 CG LYS 93 20.108 -30.784 6.388 1.00 71.25 ATOM 1556 HG1 LYS 93 20.392 -31.303 5.480 1.00 37.05 ATOM 1557 HG2 LYS 93 20.897 -30.894 7.120 1.00 72.44 ATOM 1558 CD LYS 93 19.915 -29.310 6.076 1.00 12.50 ATOM 1559 HD1 LYS 93 19.290 -28.854 6.835 1.00 37.05 ATOM 1560 HD2 LYS 93 19.430 -29.221 5.115 1.00 65.43 ATOM 1561 CE LYS 93 21.243 -28.569 6.041 1.00 53.31 ATOM 1562 HE1 LYS 93 22.065 -29.271 6.117 1.00 37.05 ATOM 1563 HE2 LYS 93 21.280 -27.891 6.880 1.00 35.43 ATOM 1564 NZ LYS 93 21.406 -27.781 4.787 1.00 35.34 ATOM 1565 HZ1 LYS 93 22.322 -27.287 4.795 1.00 21.40 ATOM 1566 HZ2 LYS 93 20.647 -27.073 4.702 1.00 54.41 ATOM 1567 HZ3 LYS 93 21.373 -28.410 3.957 1.00 73.11 ATOM 1568 C LYS 93 18.328 -33.496 5.695 1.00 54.23 ATOM 1569 O LYS 93 19.190 -33.805 4.874 1.00 24.43 ATOM 1570 N GLY 94 17.684 -34.390 6.440 1.00 5.52 ATOM 1571 HN GLY 94 17.015 -34.104 7.099 1.00 37.05 ATOM 1572 CA GLY 94 17.977 -35.806 6.318 1.00 4.42 ATOM 1573 HA1 GLY 94 17.306 -36.356 6.960 1.00 37.05 ATOM 1574 HA2 GLY 94 18.993 -35.985 6.641 1.00 3.04 ATOM 1575 C GLY 94 17.817 -36.311 4.898 1.00 44.40 ATOM 1576 O GLY 94 18.584 -37.160 4.443 1.00 23.41 ATOM 1577 N LEU 95 16.818 -35.789 4.195 1.00 1.34 ATOM 1578 HN LEU 95 16.269 -35.074 4.590 1.00 37.05 ATOM 1579 CA LEU 95 16.558 -36.193 2.818 1.00 44.10 ATOM 1580 HA LEU 95 16.954 -37.190 2.661 1.00 72.43 ATOM 1581 CB LEU 95 15.053 -36.229 2.552 1.00 75.04 ATOM 1582 HB1 LEU 95 14.869 -37.008 1.825 1.00 37.05 ATOM 1583 HB2 LEU 95 14.751 -35.295 2.116 1.00 3.21 ATOM 1584 CG LEU 95 14.162 -36.496 3.766 1.00 43.21 ATOM 1585 HG LEU 95 14.339 -35.746 4.520 1.00 23.21 ATOM 1586 CD1 LEU 95 12.694 -36.408 3.381 1.00 52.42 ATOM 1587 HD11 LEU 95 12.242 -35.585 3.912 1.00 33.31 ATOM 1588 HD12 LEU 95 12.180 -37.325 3.635 1.00 72.43 ATOM 1589 HD13 LEU 95 12.589 -36.236 2.317 1.00 64.14 ATOM 1590 CD2 LEU 95 14.477 -37.857 4.369 1.00 73.11 ATOM 1591 HD21 LEU 95 13.692 -38.159 5.051 1.00 15.44 ATOM 1592 HD22 LEU 95 15.411 -37.804 4.907 1.00 62.20 ATOM 1593 HD23 LEU 95 14.565 -38.579 3.577 1.00 5.41 ATOM 1594 C LEU 95 17.238 -35.245 1.835 1.00 54.21 ATOM 1595 O LEU 95 16.965 -35.279 0.636 1.00 42.22 ATOM 1596 N ASN 96 18.125 -34.401 2.352 1.00 52.23 ATOM 1597 HN ASN 96 18.332 -34.410 3.291 1.00 37.05 ATOM 1598 CA ASN 96 18.845 -33.444 1.519 1.00 72.10 ATOM 1599 HA ASN 96 19.527 -32.907 2.163 1.00 42.41 ATOM 1600 CB ASN 96 19.632 -34.176 0.429 1.00 15.55 ATOM 1601 HB1 ASN 96 18.990 -34.402 -0.413 1.00 37.05 ATOM 1602 HB2 ASN 96 20.015 -35.103 0.833 1.00 62.20 ATOM 1603 CG ASN 96 20.813 -33.367 -0.072 1.00 74.22 ATOM 1604 OD1 ASN 96 20.889 -33.027 -1.253 1.00 4.22 ATOM 1605 ND2 ASN 96 21.741 -33.056 0.825 1.00 34.44 ATOM 1606 HD21 ASN 96 21.629 -33.356 1.755 1.00 3.41 ATOM 1607 HD22 ASN 96 22.511 -32.532 0.520 1.00 14.13 ATOM 1608 C ASN 96 17.883 -32.444 0.883 1.00 23.54 ATOM 1609 O ASN 96 17.961 -32.167 -0.314 1.00 42.51 ATOM 1610 N LEU 97 16.978 -31.907 1.693 1.00 54.42 ATOM 1611 HN LEU 97 16.972 -32.148 2.649 1.00 37.05 ATOM 1612 CA LEU 97 16.001 -30.937 1.211 1.00 54.44 ATOM 1613 HA LEU 97 15.945 -31.023 0.134 1.00 14.24 ATOM 1614 CB LEU 97 14.618 -31.247 1.786 1.00 13.01 ATOM 1615 HB1 LEU 97 13.890 -30.660 1.251 1.00 37.05 ATOM 1616 HB2 LEU 97 14.604 -30.939 2.826 1.00 30.21 ATOM 1617 CG LEU 97 14.182 -32.712 1.733 1.00 51.30 ATOM 1618 HG LEU 97 14.838 -33.293 2.351 1.00 20.41 ATOM 1619 CD1 LEU 97 12.766 -32.867 2.267 1.00 63.24 ATOM 1620 HD11 LEU 97 12.465 -33.904 2.205 1.00 43.15 ATOM 1621 HD12 LEU 97 12.086 -32.262 1.683 1.00 62.54 ATOM 1622 HD13 LEU 97 12.733 -32.551 3.298 1.00 34.01 ATOM 1623 CD2 LEU 97 14.280 -33.246 0.311 1.00 33.05 ATOM 1624 HD21 LEU 97 15.307 -33.217 -0.022 1.00 15.54 ATOM 1625 HD22 LEU 97 13.671 -32.643 -0.349 1.00 20.24 ATOM 1626 HD23 LEU 97 13.929 -34.270 0.283 1.00 35.51 ATOM 1627 C LEU 97 16.413 -29.516 1.585 1.00 74.51 ATOM 1628 O LEU 97 17.113 -29.287 2.571 1.00 11.41 ATOM 1629 N PRO 98 15.967 -28.539 0.781 1.00 21.52 ATOM 1630 CA PRO 98 16.275 -27.125 1.010 1.00 51.55 ATOM 1631 HA PRO 98 17.342 -26.966 1.093 1.00 4.21 ATOM 1632 CB PRO 98 15.759 -26.440 -0.259 1.00 32.23 ATOM 1633 HB1 PRO 98 16.567 -26.352 -0.970 1.00 37.05 ATOM 1634 HB2 PRO 98 15.368 -25.455 -0.035 1.00 51.32 ATOM 1635 CG PRO 98 14.694 -27.347 -0.772 1.00 11.21 ATOM 1636 HG1 PRO 98 14.619 -27.249 -1.845 1.00 37.05 ATOM 1637 HG2 PRO 98 13.768 -27.104 -0.319 1.00 32.10 ATOM 1638 CD PRO 98 15.128 -28.741 -0.412 1.00 41.21 ATOM 1639 HD1 PRO 98 15.701 -29.177 -1.217 1.00 37.05 ATOM 1640 HD2 PRO 98 14.268 -29.346 -0.192 1.00 74.44 ATOM 1641 C PRO 98 15.567 -26.569 2.240 1.00 1.45 ATOM 1642 O PRO 98 14.353 -26.713 2.390 1.00 2.51 ATOM 1643 N THR 99 16.333 -25.932 3.121 1.00 42.10 ATOM 1644 HN THR 99 17.294 -25.860 2.940 1.00 37.05 ATOM 1645 CA THR 99 15.780 -25.355 4.339 1.00 14.14 ATOM 1646 HA THR 99 15.093 -26.069 4.778 1.00 44.51 ATOM 1647 CB THR 99 16.882 -25.063 5.374 1.00 25.34 ATOM 1648 HB THR 99 17.317 -26.002 5.687 1.00 63.44 ATOM 1649 OG1 THR 99 16.322 -24.403 6.515 1.00 70.12 ATOM 1650 HG1 THR 99 16.874 -24.563 7.285 1.00 1.45 ATOM 1651 CG2 THR 99 17.978 -24.198 4.769 1.00 72.50 ATOM 1652 HG21 THR 99 18.533 -24.765 4.040 1.00 72.11 ATOM 1653 HG22 THR 99 18.650 -23.884 5.554 1.00 72.42 ATOM 1654 HG23 THR 99 17.555 -23.322 4.299 1.00 10.33 ATOM 1655 C THR 99 15.023 -24.065 4.043 1.00 62.15 ATOM 1656 O THR 99 14.230 -23.598 4.859 1.00 15.31 ATOM 1657 N SER 100 15.274 -23.494 2.869 1.00 71.34 ATOM 1658 HN SER 100 15.938 -23.888 2.261 1.00 37.05 ATOM 1659 CA SER 100 14.618 -22.256 2.465 1.00 2.22 ATOM 1660 HA SER 100 14.857 -21.495 3.195 1.00 33.14 ATOM 1661 CB SER 100 15.133 -21.804 1.097 1.00 11.54 ATOM 1662 HB1 SER 100 16.187 -22.030 1.010 1.00 37.05 ATOM 1663 HB2 SER 100 14.987 -20.739 0.997 1.00 53.14 ATOM 1664 OG SER 100 14.436 -22.455 0.049 1.00 25.34 ATOM 1665 HG SER 100 14.804 -23.330 -0.088 1.00 32.33 ATOM 1666 C SER 100 13.104 -22.433 2.418 1.00 33.41 ATOM 1667 O SER 100 12.352 -21.460 2.472 1.00 12.31 ATOM 1668 N ILE 101 12.664 -23.683 2.317 1.00 73.12 ATOM 1669 HN ILE 101 13.302 -24.416 2.241 1.00 37.05 ATOM 1670 CA ILE 101 11.240 -23.989 2.263 1.00 34.14 ATOM 1671 HA ILE 101 10.862 -23.619 1.317 1.00 52.33 ATOM 1672 CB ILE 101 10.988 -25.507 2.321 1.00 35.32 ATOM 1673 HB ILE 101 11.389 -25.878 3.250 1.00 11.12 ATOM 1674 CG1 ILE 101 11.698 -26.209 1.162 1.00 50.12 ATOM 1675 HG11 ILE 101 12.693 -25.826 1.040 1.00 37.05 ATOM 1676 HG12 ILE 101 11.151 -26.030 0.246 1.00 53.33 ATOM 1677 CG2 ILE 101 9.495 -25.798 2.288 1.00 15.14 ATOM 1678 HG21 ILE 101 9.048 -25.322 1.426 1.00 4.22 ATOM 1679 HG22 ILE 101 9.025 -25.429 3.186 1.00 74.13 ATOM 1680 HG23 ILE 101 9.330 -26.864 2.228 1.00 14.14 ATOM 1681 CD1 ILE 101 11.806 -27.707 1.337 1.00 31.43 ATOM 1682 HD11 ILE 101 12.365 -28.135 0.524 1.00 30.32 ATOM 1683 HD12 ILE 101 10.817 -28.137 1.346 1.00 64.42 ATOM 1684 HD13 ILE 101 12.298 -27.932 2.271 1.00 1.01 ATOM 1685 C ILE 101 10.489 -23.317 3.408 1.00 5.41 ATOM 1686 O ILE 101 10.755 -23.583 4.581 1.00 55.11 ATOM 1687 N THR 102 9.549 -22.443 3.060 1.00 22.41 ATOM 1688 HN THR 102 9.373 -22.275 2.104 1.00 37.05 ATOM 1689 CA THR 102 8.759 -21.733 4.058 1.00 43.33 ATOM 1690 HA THR 102 9.447 -21.350 4.808 1.00 12.53 ATOM 1691 CB THR 102 8.006 -20.542 3.434 1.00 23.42 ATOM 1692 HB THR 102 7.030 -20.867 3.092 1.00 53.14 ATOM 1693 OG1 THR 102 8.732 -20.041 2.306 1.00 55.30 ATOM 1694 HG1 THR 102 9.615 -19.747 2.565 1.00 72.11 ATOM 1695 CG2 THR 102 7.812 -19.431 4.454 1.00 5.51 ATOM 1696 HG21 THR 102 7.274 -18.614 3.996 1.00 71.22 ATOM 1697 HG22 THR 102 8.775 -19.080 4.795 1.00 63.34 ATOM 1698 HG23 THR 102 7.246 -19.806 5.295 1.00 12.23 ATOM 1699 C THR 102 7.753 -22.662 4.726 1.00 31.22 ATOM 1700 O THR 102 7.042 -23.409 4.054 1.00 33.12 ATOM 1701 N SER 103 7.697 -22.611 6.053 1.00 4.32 ATOM 1702 HN SER 103 8.284 -21.994 6.546 1.00 37.05 ATOM 1703 CA SER 103 6.779 -23.451 6.813 1.00 3.11 ATOM 1704 HA SER 103 6.946 -23.260 7.862 1.00 55.34 ATOM 1705 CB SER 103 5.330 -23.102 6.468 1.00 44.41 ATOM 1706 HB1 SER 103 4.682 -23.440 7.263 1.00 37.05 ATOM 1707 HB2 SER 103 5.042 -23.581 5.540 1.00 54.43 ATOM 1708 OG SER 103 5.166 -21.703 6.313 1.00 41.31 ATOM 1709 HG SER 103 5.482 -21.235 7.093 1.00 64.42 ATOM 1710 C SER 103 7.038 -24.928 6.535 1.00 64.52 ATOM 1711 O SER 103 6.141 -25.761 6.660 1.00 62.44 ATOM 1712 N ALA 104 8.272 -25.245 6.157 1.00 64.44 ATOM 1713 HN ALA 104 8.969 -24.552 6.118 1.00 37.05 ATOM 1714 CA ALA 104 8.651 -26.622 5.862 1.00 5.32 ATOM 1715 HA ALA 104 8.125 -26.930 4.969 1.00 65.13 ATOM 1716 CB ALA 104 10.145 -26.710 5.585 1.00 52.15 ATOM 1717 HB1 ALA 104 10.367 -27.648 5.098 1.00 61.01 ATOM 1718 HB2 ALA 104 10.699 -26.645 6.513 1.00 55.44 ATOM 1719 HB3 ALA 104 10.433 -25.901 4.951 1.00 61.13 ATOM 1720 C ALA 104 8.268 -27.553 7.007 1.00 63.51 ATOM 1721 O ALA 104 7.765 -28.654 6.782 1.00 2.22 ATOM 1722 N ALA 105 8.510 -27.106 8.235 1.00 45.34 ATOM 1723 HN ALA 105 8.928 -26.220 8.355 1.00 37.05 ATOM 1724 CA ALA 105 8.189 -27.899 9.414 1.00 24.33 ATOM 1725 HA ALA 105 8.742 -28.820 9.356 1.00 52.42 ATOM 1726 CB ALA 105 8.614 -27.164 10.677 1.00 40.33 ATOM 1727 HB1 ALA 105 8.277 -26.138 10.618 1.00 73.35 ATOM 1728 HB2 ALA 105 9.688 -27.175 10.754 1.00 20.13 ATOM 1729 HB3 ALA 105 8.186 -27.620 11.546 1.00 64.11 ATOM 1730 C ALA 105 6.701 -28.228 9.466 1.00 3.15 ATOM 1731 O ALA 105 6.314 -29.347 9.804 1.00 12.21 ATOM 1732 N PHE 106 5.871 -27.246 9.131 1.00 61.01 ATOM 1733 HN PHE 106 6.236 -26.366 8.874 1.00 37.05 ATOM 1734 CA PHE 106 4.425 -27.431 9.141 1.00 14.23 ATOM 1735 HA PHE 106 4.153 -27.878 10.091 1.00 4.44 ATOM 1736 CB PHE 106 3.716 -26.082 8.999 1.00 71.30 ATOM 1737 HB1 PHE 106 3.656 -25.804 7.951 1.00 37.05 ATOM 1738 HB2 PHE 106 4.304 -25.336 9.517 1.00 2.32 ATOM 1739 CG PHE 106 2.332 -26.067 9.584 1.00 64.53 ATOM 1740 CD1 PHE 106 1.219 -26.174 8.766 1.00 41.53 ATOM 1741 HD1 PHE 106 1.350 -26.273 7.700 1.00 53.40 ATOM 1742 CD2 PHE 106 2.145 -25.948 10.951 1.00 23.13 ATOM 1743 HD2 PHE 106 3.004 -25.864 11.602 1.00 51.30 ATOM 1744 CE1 PHE 106 -0.055 -26.159 9.301 1.00 21.32 ATOM 1745 HE1 PHE 106 -0.915 -26.243 8.652 1.00 35.31 ATOM 1746 CE2 PHE 106 0.874 -25.934 11.493 1.00 55.33 ATOM 1747 HE2 PHE 106 0.742 -25.836 12.557 1.00 42.35 ATOM 1748 CZ PHE 106 -0.228 -26.041 10.666 1.00 1.54 ATOM 1749 HZ PHE 106 -1.215 -26.032 11.074 1.00 12.11 ATOM 1750 C PHE 106 3.988 -28.368 8.020 1.00 60.55 ATOM 1751 O PHE 106 3.273 -29.344 8.252 1.00 0.10 ATOM 1752 N THR 107 4.423 -28.066 6.800 1.00 10.32 ATOM 1753 HN THR 107 4.993 -27.270 6.674 1.00 37.05 ATOM 1754 CA THR 107 4.077 -28.879 5.641 1.00 13.14 ATOM 1755 HA THR 107 3.006 -28.819 5.498 1.00 63.24 ATOM 1756 CB THR 107 4.764 -28.359 4.365 1.00 54.34 ATOM 1757 HB THR 107 5.835 -28.391 4.510 1.00 31.23 ATOM 1758 OG1 THR 107 4.370 -27.005 4.113 1.00 32.21 ATOM 1759 HG1 THR 107 5.044 -26.564 3.590 1.00 53.33 ATOM 1760 CG2 THR 107 4.408 -29.227 3.167 1.00 51.52 ATOM 1761 HG21 THR 107 3.342 -29.415 3.147 1.00 51.33 ATOM 1762 HG22 THR 107 4.940 -30.165 3.222 1.00 73.12 ATOM 1763 HG23 THR 107 4.693 -28.712 2.261 1.00 73.05 ATOM 1764 C THR 107 4.466 -30.337 5.856 1.00 4.25 ATOM 1765 O THR 107 3.646 -31.241 5.689 1.00 3.42 ATOM 1766 N LEU 108 5.722 -30.560 6.229 1.00 51.12 ATOM 1767 HN LEU 108 6.334 -29.793 6.343 1.00 37.05 ATOM 1768 CA LEU 108 6.221 -31.910 6.468 1.00 53.30 ATOM 1769 HA LEU 108 6.238 -32.431 5.522 1.00 51.33 ATOM 1770 CB LEU 108 7.642 -31.857 7.031 1.00 61.22 ATOM 1771 HB1 LEU 108 7.925 -32.856 7.343 1.00 37.05 ATOM 1772 HB2 LEU 108 7.607 -31.231 7.914 1.00 32.32 ATOM 1773 CG LEU 108 8.719 -31.322 6.086 1.00 72.51 ATOM 1774 HG LEU 108 8.296 -30.562 5.451 1.00 50.23 ATOM 1775 CD1 LEU 108 9.852 -30.685 6.874 1.00 23.14 ATOM 1776 HD11 LEU 108 10.249 -29.869 6.302 1.00 3.14 ATOM 1777 HD12 LEU 108 10.635 -31.405 7.072 1.00 12.44 ATOM 1778 HD13 LEU 108 9.488 -30.296 7.817 1.00 13.04 ATOM 1779 CD2 LEU 108 9.247 -32.437 5.195 1.00 44.14 ATOM 1780 HD21 LEU 108 9.952 -32.031 4.486 1.00 44.44 ATOM 1781 HD22 LEU 108 8.426 -32.891 4.656 1.00 63.10 ATOM 1782 HD23 LEU 108 9.737 -33.188 5.800 1.00 61.34 ATOM 1783 C LEU 108 5.308 -32.665 7.429 1.00 5.13 ATOM 1784 O LEU 108 4.977 -33.828 7.201 1.00 21.53 ATOM 1785 N ARG 109 4.904 -31.994 8.503 1.00 24.53 ATOM 1786 HN ARG 109 5.210 -31.066 8.639 1.00 37.05 ATOM 1787 CA ARG 109 4.029 -32.602 9.499 1.00 44.13 ATOM 1788 HA ARG 109 4.530 -33.457 9.915 1.00 43.15 ATOM 1789 CB ARG 109 3.722 -31.603 10.616 1.00 22.31 ATOM 1790 HB1 ARG 109 3.253 -30.733 10.182 1.00 37.05 ATOM 1791 HB2 ARG 109 4.653 -31.306 11.077 1.00 44.30 ATOM 1792 CG ARG 109 2.811 -32.161 11.697 1.00 11.54 ATOM 1793 HG1 ARG 109 3.392 -32.788 12.324 1.00 37.05 ATOM 1794 HG2 ARG 109 2.014 -32.739 11.254 1.00 64.54 ATOM 1795 CD ARG 109 2.179 -31.049 12.521 1.00 61.02 ATOM 1796 HD1 ARG 109 1.732 -31.488 13.394 1.00 37.05 ATOM 1797 HD2 ARG 109 1.415 -30.584 11.917 1.00 41.42 ATOM 1798 NE ARG 109 3.161 -30.052 12.939 1.00 32.13 ATOM 1799 HE ARG 109 4.110 -30.306 12.946 1.00 20.40 ATOM 1800 CZ ARG 109 2.841 -28.818 13.314 1.00 25.42 ATOM 1801 NH1 ARG 109 1.573 -28.432 13.323 1.00 22.13 ATOM 1802 HH11 ARG 109 0.849 -29.045 13.037 1.00 51.21 ATOM 1803 HH12 ARG 109 1.338 -27.519 13.652 1.00 3.03 ATOM 1804 NH2 ARG 109 3.792 -27.968 13.682 1.00 72.43 ATOM 1805 HH21 ARG 109 4.752 -28.254 13.678 1.00 20.13 ATOM 1806 HH22 ARG 109 3.554 -27.037 13.965 1.00 34.45 ATOM 1807 C ARG 109 2.730 -33.082 8.860 1.00 73.05 ATOM 1808 O ARG 109 2.204 -34.139 9.212 1.00 3.42 ATOM 1809 N THR 110 2.215 -32.298 7.917 1.00 32.41 ATOM 1810 HN THR 110 2.672 -31.459 7.675 1.00 37.05 ATOM 1811 CA THR 110 0.976 -32.642 7.230 1.00 43.11 ATOM 1812 HA THR 110 0.253 -32.970 7.969 1.00 32.21 ATOM 1813 CB THR 110 0.385 -31.424 6.495 1.00 63.02 ATOM 1814 HB THR 110 1.121 -31.049 5.797 1.00 31.44 ATOM 1815 OG1 THR 110 0.067 -30.391 7.435 1.00 64.54 ATOM 1816 HG1 THR 110 -0.576 -30.701 8.087 1.00 21.42 ATOM 1817 CG2 THR 110 -0.864 -31.814 5.720 1.00 54.20 ATOM 1818 HG21 THR 110 -1.404 -30.919 5.448 1.00 53.41 ATOM 1819 HG22 THR 110 -1.501 -32.442 6.329 1.00 2.42 ATOM 1820 HG23 THR 110 -0.586 -32.344 4.821 1.00 12.54 ATOM 1821 C THR 110 1.198 -33.768 6.227 1.00 63.02 ATOM 1822 O THR 110 0.562 -34.818 6.309 1.00 73.03 ATOM 1823 N GLN 111 2.105 -33.542 5.282 1.00 61.23 ATOM 1824 HN GLN 111 2.591 -32.686 5.288 1.00 37.05 ATOM 1825 CA GLN 111 2.410 -34.539 4.263 1.00 63.54 ATOM 1826 HA GLN 111 1.531 -34.697 3.674 1.00 42.32 ATOM 1827 CB GLN 111 3.549 -34.051 3.366 1.00 51.14 ATOM 1828 HB1 GLN 111 3.682 -34.753 2.555 1.00 37.05 ATOM 1829 HB2 GLN 111 4.462 -34.004 3.945 1.00 45.24 ATOM 1830 CG GLN 111 3.304 -32.676 2.766 1.00 11.41 ATOM 1831 HG1 GLN 111 3.941 -32.562 1.901 1.00 37.05 ATOM 1832 HG2 GLN 111 3.554 -31.924 3.488 1.00 23.33 ATOM 1833 CD GLN 111 1.866 -32.477 2.329 1.00 31.40 ATOM 1834 OE1 GLN 111 1.233 -31.478 2.672 1.00 72.42 ATOM 1835 NE2 GLN 111 1.342 -33.430 1.567 1.00 34.54 ATOM 1836 HE21 GLN 111 1.884 -34.204 1.323 1.00 51.32 ATOM 1837 HE22 GLN 111 0.414 -33.316 1.274 1.00 30.43 ATOM 1838 C GLN 111 2.786 -35.873 4.901 1.00 42.41 ATOM 1839 O GLN 111 2.474 -36.938 4.367 1.00 1.45 ATOM 1840 N TYR 112 3.458 -35.806 6.045 1.00 60.52 ATOM 1841 HN TYR 112 3.692 -34.928 6.425 1.00 37.05 ATOM 1842 CA TYR 112 3.879 -37.009 6.755 1.00 41.55 ATOM 1843 HA TYR 112 4.284 -37.709 6.034 1.00 2.04 ATOM 1844 CB TYR 112 4.971 -36.670 7.770 1.00 25.14 ATOM 1845 HB1 TYR 112 4.624 -35.858 8.394 1.00 37.05 ATOM 1846 HB2 TYR 112 5.858 -36.349 7.240 1.00 43.20 ATOM 1847 CG TYR 112 5.339 -37.827 8.672 1.00 11.43 ATOM 1848 CD1 TYR 112 4.627 -38.076 9.840 1.00 44.14 ATOM 1849 HD1 TYR 112 3.804 -37.431 10.103 1.00 34.32 ATOM 1850 CD2 TYR 112 6.398 -38.669 8.358 1.00 32.42 ATOM 1851 HD2 TYR 112 6.959 -38.503 7.472 1.00 3.21 ATOM 1852 CE1 TYR 112 4.960 -39.131 10.667 1.00 12.12 ATOM 1853 HE1 TYR 112 4.392 -39.312 11.560 1.00 12.04 ATOM 1854 CE2 TYR 112 6.736 -39.728 9.179 1.00 3.40 ATOM 1855 HE2 TYR 112 7.560 -40.364 8.917 1.00 35.03 ATOM 1856 CZ TYR 112 6.015 -39.954 10.332 1.00 34.14 ATOM 1857 OH TYR 112 6.350 -41.006 11.153 1.00 34.45 ATOM 1858 HH TYR 112 7.170 -40.820 11.610 1.00 54.30 ATOM 1859 C TYR 112 2.698 -37.666 7.461 1.00 13.13 ATOM 1860 O TYR 112 2.383 -38.830 7.216 1.00 23.24 ATOM 1861 N MET 113 2.047 -36.910 8.339 1.00 13.14 ATOM 1862 HN MET 113 2.349 -35.982 8.493 1.00 37.05 ATOM 1863 CA MET 113 0.898 -37.417 9.081 1.00 23.51 ATOM 1864 HA MET 113 1.231 -38.243 9.684 1.00 50.23 ATOM 1865 CB MET 113 0.338 -36.332 10.002 1.00 43.52 ATOM 1866 HB1 MET 113 -0.168 -35.589 9.397 1.00 37.05 ATOM 1867 HB2 MET 113 1.160 -35.859 10.511 1.00 53.42 ATOM 1868 CG MET 113 -0.621 -36.863 11.054 1.00 12.44 ATOM 1869 HG1 MET 113 -0.071 -37.104 11.942 1.00 37.05 ATOM 1870 HG2 MET 113 -1.110 -37.754 10.694 1.00 73.02 ATOM 1871 SD MET 113 -1.901 -35.670 11.493 1.00 64.12 ATOM 1872 CE MET 113 -0.905 -34.234 11.885 1.00 43.11 ATOM 1873 HE1 MET 113 -0.182 -34.493 12.644 1.00 63.22 ATOM 1874 HE2 MET 113 -1.544 -33.445 12.250 1.00 45.02 ATOM 1875 HE3 MET 113 -0.392 -33.895 10.998 1.00 53.51 ATOM 1876 C MET 113 -0.190 -37.906 8.131 1.00 52.34 ATOM 1877 O MET 113 -1.050 -38.701 8.511 1.00 52.43 ATOM 1878 N LYS 114 -0.148 -37.425 6.893 1.00 43.13 ATOM 1879 HN LYS 114 0.505 -36.734 6.656 1.00 37.05 ATOM 1880 CA LYS 114 -1.129 -37.813 5.887 1.00 54.53 ATOM 1881 HA LYS 114 -2.113 -37.561 6.264 1.00 22.14 ATOM 1882 CB LYS 114 -0.875 -37.058 4.579 1.00 34.54 ATOM 1883 HB1 LYS 114 -1.090 -37.713 3.744 1.00 37.05 ATOM 1884 HB2 LYS 114 0.160 -36.770 4.530 1.00 2.04 ATOM 1885 CG LYS 114 -1.721 -35.806 4.425 1.00 33.52 ATOM 1886 HG1 LYS 114 -1.501 -35.128 5.231 1.00 37.05 ATOM 1887 HG2 LYS 114 -2.766 -36.083 4.470 1.00 10.44 ATOM 1888 CD LYS 114 -1.449 -35.109 3.103 1.00 4.53 ATOM 1889 HD1 LYS 114 -0.397 -34.896 3.020 1.00 37.05 ATOM 1890 HD2 LYS 114 -2.004 -34.182 3.084 1.00 52.02 ATOM 1891 CE LYS 114 -1.874 -35.967 1.922 1.00 51.43 ATOM 1892 HE1 LYS 114 -2.651 -36.658 2.227 1.00 37.05 ATOM 1893 HE2 LYS 114 -1.020 -36.521 1.578 1.00 51.53 ATOM 1894 NZ LYS 114 -2.390 -35.142 0.794 1.00 4.32 ATOM 1895 HZ1 LYS 114 -1.654 -34.485 0.459 1.00 2.32 ATOM 1896 HZ2 LYS 114 -3.219 -34.591 1.098 1.00 62.15 ATOM 1897 HZ3 LYS 114 -2.672 -35.758 0.004 1.00 61.20 ATOM 1898 C LYS 114 -1.086 -39.316 5.635 1.00 21.31 ATOM 1899 O LYS 114 -2.114 -39.993 5.680 1.00 4.12 ATOM 1900 N TYR 115 0.109 -39.833 5.372 1.00 61.12 ATOM 1901 HN TYR 115 0.902 -39.247 5.360 1.00 37.05 ATOM 1902 CA TYR 115 0.286 -41.257 5.112 1.00 12.14 ATOM 1903 HA TYR 115 -0.682 -41.715 4.947 1.00 53.24 ATOM 1904 CB TYR 115 1.132 -41.467 3.856 1.00 41.44 ATOM 1905 HB1 TYR 115 1.161 -42.514 3.610 1.00 37.05 ATOM 1906 HB2 TYR 115 2.146 -41.137 4.059 1.00 51.51 ATOM 1907 CG TYR 115 0.632 -40.698 2.653 1.00 13.05 ATOM 1908 CD1 TYR 115 -0.244 -41.282 1.746 1.00 22.22 ATOM 1909 HD1 TYR 115 -0.573 -42.288 1.907 1.00 33.41 ATOM 1910 CD2 TYR 115 1.035 -39.388 2.424 1.00 32.33 ATOM 1911 HD2 TYR 115 1.716 -38.917 3.117 1.00 14.24 ATOM 1912 CE1 TYR 115 -0.703 -40.584 0.646 1.00 32.21 ATOM 1913 HE1 TYR 115 -1.384 -41.056 -0.047 1.00 65.12 ATOM 1914 CE2 TYR 115 0.579 -38.682 1.328 1.00 64.32 ATOM 1915 HE2 TYR 115 0.903 -37.664 1.168 1.00 11.31 ATOM 1916 CZ TYR 115 -0.289 -39.284 0.442 1.00 71.55 ATOM 1917 OH TYR 115 -0.744 -38.585 -0.653 1.00 1.02 ATOM 1918 HH TYR 115 -1.665 -38.339 -0.524 1.00 15.12 ATOM 1919 C TYR 115 0.942 -41.950 6.302 1.00 21.25 ATOM 1920 O TYR 115 0.434 -42.951 6.811 1.00 44.30 ATOM 1921 N LEU 116 2.074 -41.411 6.742 1.00 33.03 ATOM 1922 HN LEU 116 2.427 -40.600 6.303 1.00 37.05 ATOM 1923 CA LEU 116 2.801 -41.976 7.874 1.00 42.24 ATOM 1924 HA LEU 116 2.712 -43.056 7.830 1.00 14.14 ATOM 1925 CB LEU 116 4.284 -41.613 7.784 1.00 45.30 ATOM 1926 HB1 LEU 116 4.791 -42.015 8.654 1.00 37.05 ATOM 1927 HB2 LEU 116 4.359 -40.532 7.820 1.00 11.02 ATOM 1928 CG LEU 116 5.020 -42.099 6.535 1.00 63.20 ATOM 1929 HG LEU 116 4.474 -41.783 5.658 1.00 71.21 ATOM 1930 CD1 LEU 116 6.412 -41.491 6.465 1.00 43.24 ATOM 1931 HD11 LEU 116 6.330 -40.423 6.356 1.00 71.42 ATOM 1932 HD12 LEU 116 6.939 -41.891 5.610 1.00 51.34 ATOM 1933 HD13 LEU 116 6.958 -41.722 7.360 1.00 21.10 ATOM 1934 CD2 LEU 116 5.099 -43.619 6.520 1.00 10.23 ATOM 1935 HD21 LEU 116 4.104 -44.027 6.508 1.00 63.20 ATOM 1936 HD22 LEU 116 5.621 -43.968 7.400 1.00 2.02 ATOM 1937 HD23 LEU 116 5.628 -43.948 5.635 1.00 40.02 ATOM 1938 C LEU 116 2.223 -41.480 9.195 1.00 5.42 ATOM 1939 O LEU 116 2.202 -40.278 9.463 1.00 41.12 ATOM 1940 N TYR 117 1.758 -42.412 10.019 1.00 71.25 ATOM 1941 HN TYR 117 1.868 -43.363 9.778 1.00 37.05 ATOM 1942 CA TYR 117 1.180 -42.070 11.313 1.00 53.25 ATOM 1943 HA TYR 117 1.955 -41.622 11.918 1.00 10.11 ATOM 1944 CB TYR 117 0.043 -41.062 11.136 1.00 74.10 ATOM 1945 HB1 TYR 117 -0.431 -41.180 10.176 1.00 37.05 ATOM 1946 HB2 TYR 117 0.472 -40.070 11.180 1.00 73.02 ATOM 1947 CG TYR 117 -1.001 -41.129 12.228 1.00 3.03 ATOM 1948 CD1 TYR 117 -2.344 -41.306 11.923 1.00 35.40 ATOM 1949 HD1 TYR 117 -2.648 -41.389 10.890 1.00 15.55 ATOM 1950 CD2 TYR 117 -0.642 -41.016 13.566 1.00 13.30 ATOM 1951 HD2 TYR 117 0.399 -40.878 13.825 1.00 73.42 ATOM 1952 CE1 TYR 117 -3.301 -41.367 12.918 1.00 60.22 ATOM 1953 HE1 TYR 117 -4.340 -41.505 12.660 1.00 22.03 ATOM 1954 CE2 TYR 117 -1.592 -41.077 14.568 1.00 41.04 ATOM 1955 HE2 TYR 117 -1.293 -40.987 15.602 1.00 51.31 ATOM 1956 CZ TYR 117 -2.920 -41.252 14.238 1.00 22.34 ATOM 1957 OH TYR 117 -3.869 -41.314 15.232 1.00 15.14 ATOM 1958 HH TYR 117 -4.177 -42.220 15.334 1.00 63.41 ATOM 1959 C TYR 117 0.664 -43.316 12.026 1.00 51.14 ATOM 1960 O TYR 117 1.078 -43.642 13.138 1.00 20.22 ATOM 1961 N PRO 118 -0.263 -44.031 11.370 1.00 43.50 ATOM 1962 CA PRO 118 -0.855 -45.253 11.921 1.00 73.15 ATOM 1963 HA PRO 118 -1.263 -45.087 12.908 1.00 54.22 ATOM 1964 CB PRO 118 -1.990 -45.569 10.943 1.00 51.42 ATOM 1965 HB1 PRO 118 -2.903 -45.126 11.310 1.00 37.05 ATOM 1966 HB2 PRO 118 -2.126 -46.634 10.839 1.00 3.22 ATOM 1967 CG PRO 118 -1.573 -44.935 9.661 1.00 64.02 ATOM 1968 HG1 PRO 118 -2.445 -44.670 9.082 1.00 37.05 ATOM 1969 HG2 PRO 118 -0.943 -45.613 9.104 1.00 43.21 ATOM 1970 CD PRO 118 -0.803 -43.700 10.040 1.00 23.44 ATOM 1971 HD1 PRO 118 -1.477 -42.880 10.074 1.00 37.05 ATOM 1972 HD2 PRO 118 -0.038 -43.531 9.313 1.00 3.32 ATOM 1973 C PRO 118 0.140 -46.407 11.972 1.00 33.31 ATOM 1974 O PRO 118 0.024 -47.302 12.810 1.00 62.33 ATOM 1975 N TYR 119 1.117 -46.381 11.072 1.00 14.45 ATOM 1976 HN TYR 119 1.162 -45.646 10.418 1.00 37.05 ATOM 1977 CA TYR 119 2.131 -47.426 11.015 1.00 61.35 ATOM 1978 HA TYR 119 1.643 -48.386 11.090 1.00 34.14 ATOM 1979 CB TYR 119 2.890 -47.357 9.688 1.00 75.30 ATOM 1980 HB1 TYR 119 3.499 -46.460 9.667 1.00 37.05 ATOM 1981 HB2 TYR 119 2.170 -47.305 8.881 1.00 64.41 ATOM 1982 CG TYR 119 3.779 -48.554 9.436 1.00 51.20 ATOM 1983 CD1 TYR 119 5.162 -48.444 9.509 1.00 31.23 ATOM 1984 HD1 TYR 119 5.599 -47.492 9.743 1.00 30.31 ATOM 1985 CD2 TYR 119 3.236 -49.795 9.125 1.00 13.55 ATOM 1986 HD2 TYR 119 2.175 -49.903 9.067 1.00 32.35 ATOM 1987 CE1 TYR 119 5.978 -49.535 9.279 1.00 1.40 ATOM 1988 HE1 TYR 119 7.044 -49.438 9.353 1.00 22.21 ATOM 1989 CE2 TYR 119 4.044 -50.891 8.895 1.00 2.21 ATOM 1990 HE2 TYR 119 3.601 -51.844 8.658 1.00 65.22 ATOM 1991 CZ TYR 119 5.415 -50.756 8.973 1.00 54.34 ATOM 1992 OH TYR 119 6.224 -51.845 8.744 1.00 42.31 ATOM 1993 HH TYR 119 6.599 -52.154 9.574 1.00 2.01 ATOM 1994 C TYR 119 3.109 -47.302 12.179 1.00 33.02 ATOM 1995 O TYR 119 3.403 -48.282 12.863 1.00 43.30 ATOM 1996 N GLU 120 3.607 -46.089 12.398 1.00 63.20 ATOM 1997 HN GLU 120 3.332 -45.340 11.816 1.00 37.05 ATOM 1998 CA GLU 120 4.552 -45.836 13.480 1.00 71.14 ATOM 1999 HA GLU 120 5.354 -46.560 13.408 1.00 55.32 ATOM 2000 CB GLU 120 5.147 -44.433 13.348 1.00 4.35 ATOM 2001 HB1 GLU 120 5.489 -44.289 12.337 1.00 37.05 ATOM 2002 HB2 GLU 120 5.989 -44.349 14.019 1.00 53.23 ATOM 2003 CG GLU 120 4.162 -43.321 13.669 1.00 64.10 ATOM 2004 HG1 GLU 120 3.778 -43.446 14.667 1.00 37.05 ATOM 2005 HG2 GLU 120 3.357 -43.364 12.962 1.00 44.51 ATOM 2006 CD GLU 120 4.791 -41.943 13.588 1.00 73.52 ATOM 2007 OE1 GLU 120 4.051 -40.967 13.346 1.00 3.23 ATOM 2008 OE2 GLU 120 6.023 -41.843 13.766 1.00 13.44 ATOM 2009 C GLU 120 3.876 -45.989 14.839 1.00 11.32 ATOM 2010 O GLU 120 4.492 -46.447 15.802 1.00 13.35 ATOM 2011 N CYS 121 2.607 -45.601 14.909 1.00 62.40 ATOM 2012 HN CYS 121 2.163 -45.233 14.109 1.00 37.05 ATOM 2013 CA CYS 121 1.847 -45.693 16.150 1.00 30.44 ATOM 2014 HA CYS 121 2.475 -45.318 16.944 1.00 1.12 ATOM 2015 CB CYS 121 0.582 -44.838 16.063 1.00 42.02 ATOM 2016 HB1 CYS 121 -0.201 -45.381 15.548 1.00 37.05 ATOM 2017 HB2 CYS 121 0.805 -43.938 15.511 1.00 31.30 ATOM 2018 SG CYS 121 -0.068 -44.316 17.667 1.00 54.21 ATOM 2019 HG CYS 121 -1.318 -44.745 17.761 1.00 14.31 ATOM 2020 C CYS 121 1.476 -47.141 16.455 1.00 63.20 ATOM 2021 O CYS 121 1.549 -47.582 17.601 1.00 23.14 ATOM 2022 N GLU 122 1.077 -47.875 15.421 1.00 50.44 ATOM 2023 HN GLU 122 1.035 -47.469 14.523 1.00 37.05 ATOM 2024 CA GLU 122 0.692 -49.272 15.579 1.00 23.11 ATOM 2025 HA GLU 122 0.055 -49.345 16.449 1.00 71.23 ATOM 2026 CB GLU 122 -0.077 -49.755 14.348 1.00 64.44 ATOM 2027 HB1 GLU 122 0.592 -49.795 13.498 1.00 37.05 ATOM 2028 HB2 GLU 122 -0.867 -49.049 14.137 1.00 42.24 ATOM 2029 CG GLU 122 -0.711 -51.125 14.525 1.00 41.32 ATOM 2030 HG1 GLU 122 0.051 -51.840 14.796 1.00 37.05 ATOM 2031 HG2 GLU 122 -1.159 -51.419 13.593 1.00 73.54 ATOM 2032 CD GLU 122 -1.789 -51.135 15.591 1.00 52.41 ATOM 2033 OE1 GLU 122 -2.195 -50.039 16.034 1.00 25.50 ATOM 2034 OE2 GLU 122 -2.228 -52.236 15.982 1.00 25.41 ATOM 2035 C GLU 122 1.919 -50.152 15.804 1.00 13.11 ATOM 2036 O GLU 122 1.925 -51.016 16.681 1.00 71.44 ATOM 2037 N LYS 123 2.956 -49.925 15.006 1.00 63.54 ATOM 2038 HN LYS 123 2.893 -49.221 14.320 1.00 37.05 ATOM 2039 CA LYS 123 4.190 -50.695 15.116 1.00 74.41 ATOM 2040 HA LYS 123 3.933 -51.746 15.134 1.00 23.42 ATOM 2041 CB LYS 123 5.095 -50.421 13.913 1.00 25.42 ATOM 2042 HB1 LYS 123 6.075 -50.849 14.099 1.00 37.05 ATOM 2043 HB2 LYS 123 5.209 -49.357 13.798 1.00 33.34 ATOM 2044 CG LYS 123 4.567 -50.996 12.610 1.00 12.13 ATOM 2045 HG1 LYS 123 5.108 -50.543 11.791 1.00 37.05 ATOM 2046 HG2 LYS 123 3.515 -50.753 12.520 1.00 44.40 ATOM 2047 CD LYS 123 4.756 -52.502 12.548 1.00 72.33 ATOM 2048 HD1 LYS 123 4.684 -52.928 13.540 1.00 37.05 ATOM 2049 HD2 LYS 123 5.734 -52.709 12.141 1.00 24.41 ATOM 2050 CE LYS 123 3.706 -53.159 11.664 1.00 23.45 ATOM 2051 HE1 LYS 123 3.432 -52.497 10.862 1.00 37.05 ATOM 2052 HE2 LYS 123 2.834 -53.365 12.265 1.00 1.54 ATOM 2053 NZ LYS 123 4.195 -54.440 11.082 1.00 53.24 ATOM 2054 HZ1 LYS 123 5.041 -54.273 10.498 1.00 12.52 ATOM 2055 HZ2 LYS 123 3.457 -54.863 10.484 1.00 34.43 ATOM 2056 HZ3 LYS 123 4.436 -55.113 11.839 1.00 43.02 ATOM 2057 C LYS 123 4.927 -50.359 16.408 1.00 21.21 ATOM 2058 O LYS 123 5.538 -51.229 17.029 1.00 4.21 ATOM 2059 N ARG 124 4.864 -49.093 16.808 1.00 61.30 ATOM 2060 HN ARG 124 4.379 -48.427 16.271 1.00 37.05 ATOM 2061 CA ARG 124 5.526 -48.643 18.027 1.00 72.24 ATOM 2062 HA ARG 124 5.959 -49.495 18.522 1.00 62.53 ATOM 2063 CB ARG 124 6.617 -47.624 17.693 1.00 12.02 ATOM 2064 HB1 ARG 124 6.575 -46.786 18.378 1.00 37.05 ATOM 2065 HB2 ARG 124 6.467 -47.253 16.693 1.00 33.15 ATOM 2066 CG ARG 124 8.024 -48.196 17.753 1.00 74.35 ATOM 2067 HG1 ARG 124 8.720 -47.433 17.435 1.00 37.05 ATOM 2068 HG2 ARG 124 8.090 -49.042 17.083 1.00 53.02 ATOM 2069 CD ARG 124 8.387 -48.635 19.162 1.00 23.53 ATOM 2070 HD1 ARG 124 7.745 -48.145 19.884 1.00 37.05 ATOM 2071 HD2 ARG 124 9.410 -48.336 19.341 1.00 1.54 ATOM 2072 NE ARG 124 8.277 -50.082 19.331 1.00 70.05 ATOM 2073 HE ARG 124 7.775 -50.590 18.652 1.00 13.34 ATOM 2074 CZ ARG 124 8.818 -50.747 20.345 1.00 65.32 ATOM 2075 NH1 ARG 124 9.504 -50.099 21.276 1.00 31.35 ATOM 2076 HH11 ARG 124 9.628 -49.110 21.242 1.00 23.33 ATOM 2077 HH12 ARG 124 9.911 -50.611 22.036 1.00 74.51 ATOM 2078 NH2 ARG 124 8.674 -52.064 20.429 1.00 43.33 ATOM 2079 HH21 ARG 124 8.157 -52.560 19.728 1.00 0.44 ATOM 2080 HH22 ARG 124 9.082 -52.568 21.193 1.00 22.42 ATOM 2081 C ARG 124 4.520 -48.029 18.996 1.00 22.12 ATOM 2082 O ARG 124 4.148 -48.646 19.993 1.00 14.23 ATOM 2083 N GLY 125 4.085 -46.809 18.696 1.00 42.02 ATOM 2084 HN GLY 125 4.385 -46.358 17.876 1.00 37.05 ATOM 2085 CA GLY 125 3.128 -46.132 19.550 1.00 13.54 ATOM 2086 HA1 GLY 125 2.538 -46.854 20.101 1.00 37.05 ATOM 2087 HA2 GLY 125 2.462 -45.553 18.935 1.00 4.44 ATOM 2088 C GLY 125 3.794 -45.195 20.539 1.00 71.20 ATOM 2089 O GLY 125 3.303 -45.004 21.653 1.00 60.35 ATOM 2090 N LEU 126 4.916 -44.610 20.134 1.00 73.53 ATOM 2091 HN LEU 126 5.226 -44.763 19.214 1.00 37.05 ATOM 2092 CA LEU 126 5.652 -43.690 20.993 1.00 41.42 ATOM 2093 HA LEU 126 6.057 -44.257 21.819 1.00 25.30 ATOM 2094 CB LEU 126 6.805 -43.049 20.218 1.00 72.14 ATOM 2095 HB1 LEU 126 7.427 -42.529 20.935 1.00 37.05 ATOM 2096 HB2 LEU 126 6.382 -42.303 19.551 1.00 74.41 ATOM 2097 CG LEU 126 7.678 -44.004 19.402 1.00 14.22 ATOM 2098 HG LEU 126 7.278 -45.007 19.440 1.00 62.11 ATOM 2099 CD1 LEU 126 7.712 -43.580 17.942 1.00 72.30 ATOM 2100 HD11 LEU 126 6.730 -43.253 17.623 1.00 55.23 ATOM 2101 HD12 LEU 126 8.003 -44.430 17.343 1.00 2.14 ATOM 2102 HD13 LEU 126 8.421 -42.792 17.784 1.00 63.30 ATOM 2103 CD2 LEU 126 9.086 -44.061 19.976 1.00 12.31 ATOM 2104 HD21 LEU 126 9.544 -43.087 19.940 1.00 61.30 ATOM 2105 HD22 LEU 126 9.682 -44.757 19.402 1.00 55.20 ATOM 2106 HD23 LEU 126 9.043 -44.397 21.003 1.00 61.21 ATOM 2107 C LEU 126 4.731 -42.606 21.545 1.00 25.01 ATOM 2108 O LEU 126 4.701 -42.359 22.751 1.00 54.25 ATOM 2109 N SER 127 3.981 -41.964 20.655 1.00 22.12 ATOM 2110 HN SER 127 4.037 -42.207 19.701 1.00 37.05 ATOM 2111 CA SER 127 3.060 -40.906 21.053 1.00 4.22 ATOM 2112 HA SER 127 3.225 -40.668 22.094 1.00 12.35 ATOM 2113 CB SER 127 3.311 -39.644 20.224 1.00 31.54 ATOM 2114 HB1 SER 127 4.257 -39.214 20.518 1.00 37.05 ATOM 2115 HB2 SER 127 2.527 -38.940 20.412 1.00 10.22 ATOM 2116 OG SER 127 3.359 -39.945 18.840 1.00 5.04 ATOM 2117 HG SER 127 2.466 -40.019 18.495 1.00 51.41 ATOM 2118 C SER 127 1.612 -41.356 20.890 1.00 71.02 ATOM 2119 O SER 127 1.333 -42.362 20.239 1.00 50.00 ATOM 2120 N ASN 128 0.694 -40.603 21.486 1.00 12.44 ATOM 2121 HN ASN 128 0.971 -39.821 21.978 1.00 37.05 ATOM 2122 CA ASN 128 -0.727 -40.923 21.408 1.00 22.52 ATOM 2123 HA ASN 128 -0.831 -41.918 20.996 1.00 32.24 ATOM 2124 CB ASN 128 -1.350 -40.916 22.805 1.00 12.04 ATOM 2125 HB1 ASN 128 -2.062 -41.722 22.874 1.00 37.05 ATOM 2126 HB2 ASN 128 -1.864 -39.979 22.986 1.00 20.12 ATOM 2127 CG ASN 128 -0.320 -41.120 23.899 1.00 21.34 ATOM 2128 OD1 ASN 128 0.147 -42.236 24.127 1.00 31.41 ATOM 2129 ND2 ASN 128 0.039 -40.040 24.583 1.00 43.22 ATOM 2130 HD21 ASN 128 -0.367 -39.172 24.359 1.00 25.34 ATOM 2131 HD22 ASN 128 0.704 -40.152 25.294 1.00 22.22 ATOM 2132 C ASN 128 -1.459 -39.934 20.507 1.00 32.00 ATOM 2133 O ASN 128 -0.994 -38.822 20.257 1.00 10.23 ATOM 2134 N PRO 129 -2.633 -40.346 20.007 1.00 75.41 ATOM 2135 CA PRO 129 -3.456 -39.511 19.127 1.00 71.32 ATOM 2136 HA PRO 129 -2.891 -39.151 18.279 1.00 73.11 ATOM 2137 CB PRO 129 -4.548 -40.471 18.646 1.00 2.31 ATOM 2138 HB1 PRO 129 -4.247 -40.911 17.707 1.00 37.05 ATOM 2139 HB2 PRO 129 -5.489 -39.951 18.514 1.00 61.14 ATOM 2140 CG PRO 129 -4.640 -41.505 19.714 1.00 13.03 ATOM 2141 HG1 PRO 129 -4.982 -42.439 19.293 1.00 37.05 ATOM 2142 HG2 PRO 129 -5.314 -41.173 20.490 1.00 32.14 ATOM 2143 CD PRO 129 -3.249 -41.660 20.263 1.00 42.43 ATOM 2144 HD1 PRO 129 -2.721 -42.444 19.740 1.00 37.05 ATOM 2145 HD2 PRO 129 -3.303 -41.877 21.310 1.00 4.53 ATOM 2146 C PRO 129 -4.074 -38.327 19.862 1.00 22.04 ATOM 2147 O PRO 129 -4.663 -37.440 19.246 1.00 61.32 ATOM 2148 N ASN 130 -3.935 -38.319 21.184 1.00 24.31 ATOM 2149 HN ASN 130 -3.495 -39.061 21.642 1.00 37.05 ATOM 2150 CA ASN 130 -4.480 -37.243 22.004 1.00 65.22 ATOM 2151 HA ASN 130 -5.377 -36.861 21.526 1.00 42.43 ATOM 2152 CB ASN 130 -4.839 -37.766 23.396 1.00 24.21 ATOM 2153 HB1 ASN 130 -4.753 -36.966 24.122 1.00 37.05 ATOM 2154 HB2 ASN 130 -4.158 -38.559 23.673 1.00 23.23 ATOM 2155 CG ASN 130 -6.258 -38.296 23.466 1.00 2.05 ATOM 2156 OD1 ASN 130 -7.205 -37.539 23.679 1.00 1.15 ATOM 2157 ND2 ASN 130 -6.411 -39.603 23.287 1.00 2.15 ATOM 2158 HD21 ASN 130 -5.617 -40.160 23.120 1.00 1.34 ATOM 2159 HD22 ASN 130 -7.321 -39.965 23.328 1.00 3.02 ATOM 2160 C ASN 130 -3.485 -36.092 22.122 1.00 71.14 ATOM 2161 O ASN 130 -3.850 -34.926 21.973 1.00 33.55 ATOM 2162 N GLU 131 -2.227 -36.429 22.388 1.00 11.03 ATOM 2163 HN GLU 131 -2.005 -37.379 22.514 1.00 37.05 ATOM 2164 CA GLU 131 -1.180 -35.423 22.526 1.00 74.00 ATOM 2165 HA GLU 131 -1.529 -34.660 23.210 1.00 35.11 ATOM 2166 CB GLU 131 0.090 -36.052 23.102 1.00 33.14 ATOM 2167 HB1 GLU 131 -0.139 -36.461 24.076 1.00 37.05 ATOM 2168 HB2 GLU 131 0.843 -35.282 23.215 1.00 60.22 ATOM 2169 CG GLU 131 0.661 -37.167 22.243 1.00 72.23 ATOM 2170 HG1 GLU 131 0.802 -36.821 21.239 1.00 37.05 ATOM 2171 HG2 GLU 131 -0.037 -37.982 22.244 1.00 74.31 ATOM 2172 CD GLU 131 1.989 -37.682 22.762 1.00 62.11 ATOM 2173 OE1 GLU 131 2.060 -38.873 23.130 1.00 30.43 ATOM 2174 OE2 GLU 131 2.957 -36.895 22.800 1.00 4.51 ATOM 2175 C GLU 131 -0.873 -34.770 21.181 1.00 22.43 ATOM 2176 O GLU 131 -0.548 -33.584 21.114 1.00 62.22 ATOM 2177 N LEU 132 -0.977 -35.553 20.113 1.00 31.10 ATOM 2178 HN LEU 132 -1.217 -36.503 20.225 1.00 37.05 ATOM 2179 CA LEU 132 -0.710 -35.053 18.769 1.00 42.10 ATOM 2180 HA LEU 132 0.340 -34.823 18.706 1.00 31.14 ATOM 2181 CB LEU 132 -1.056 -36.119 17.728 1.00 20.34 ATOM 2182 HB1 LEU 132 -2.090 -36.401 17.877 1.00 37.05 ATOM 2183 HB2 LEU 132 -0.438 -36.986 17.922 1.00 71.31 ATOM 2184 CG LEU 132 -0.875 -35.713 16.265 1.00 35.03 ATOM 2185 HG LEU 132 -1.490 -34.861 16.061 1.00 52.24 ATOM 2186 CD1 LEU 132 0.574 -35.348 15.988 1.00 44.22 ATOM 2187 HD11 LEU 132 0.884 -34.540 16.634 1.00 75.31 ATOM 2188 HD12 LEU 132 0.673 -35.031 14.959 1.00 74.54 ATOM 2189 HD13 LEU 132 1.206 -36.208 16.155 1.00 10.01 ATOM 2190 CD2 LEU 132 -1.332 -36.832 15.341 1.00 61.31 ATOM 2191 HD21 LEU 132 -2.372 -37.058 15.533 1.00 13.22 ATOM 2192 HD22 LEU 132 -0.735 -37.717 15.515 1.00 44.11 ATOM 2193 HD23 LEU 132 -1.220 -36.521 14.311 1.00 71.50 ATOM 2194 C LEU 132 -1.504 -33.780 18.494 1.00 75.44 ATOM 2195 O LEU 132 -0.942 -32.760 18.097 1.00 61.43 ATOM 2196 N GLN 133 -2.814 -33.849 18.709 1.00 12.51 ATOM 2197 HN GLN 133 -3.207 -34.698 19.025 1.00 37.05 ATOM 2198 CA GLN 133 -3.685 -32.701 18.485 1.00 14.12 ATOM 2199 HA GLN 133 -3.666 -32.478 17.427 1.00 4.04 ATOM 2200 CB GLN 133 -5.118 -33.031 18.907 1.00 31.52 ATOM 2201 HB1 GLN 133 -5.180 -33.046 19.988 1.00 37.05 ATOM 2202 HB2 GLN 133 -5.372 -34.015 18.536 1.00 12.53 ATOM 2203 CG GLN 133 -6.149 -32.044 18.386 1.00 52.33 ATOM 2204 HG1 GLN 133 -5.855 -31.042 18.670 1.00 37.05 ATOM 2205 HG2 GLN 133 -7.102 -32.276 18.838 1.00 71.14 ATOM 2206 CD GLN 133 -6.308 -32.106 16.879 1.00 23.34 ATOM 2207 OE1 GLN 133 -7.048 -32.940 16.355 1.00 4.55 ATOM 2208 NE2 GLN 133 -5.612 -31.223 16.173 1.00 2.34 ATOM 2209 HE21 GLN 133 -5.035 -30.580 16.645 1.00 64.35 ATOM 2210 HE22 GLN 133 -5.702 -31.247 15.197 1.00 24.11 ATOM 2211 C GLN 133 -3.186 -31.481 19.251 1.00 2.54 ATOM 2212 O GLN 133 -3.064 -30.391 18.692 1.00 71.31 ATOM 2213 N ALA 134 -2.898 -31.671 20.535 1.00 53.21 ATOM 2214 HN ALA 134 -3.019 -32.568 20.930 1.00 37.05 ATOM 2215 CA ALA 134 -2.410 -30.586 21.377 1.00 14.04 ATOM 2216 HA ALA 134 -3.146 -29.792 21.366 1.00 22.21 ATOM 2217 CB ALA 134 -2.256 -31.062 22.814 1.00 32.03 ATOM 2218 HB1 ALA 134 -1.950 -30.236 23.441 1.00 14.41 ATOM 2219 HB2 ALA 134 -1.512 -31.845 22.861 1.00 52.45 ATOM 2220 HB3 ALA 134 -3.202 -31.446 23.166 1.00 52.21 ATOM 2221 C ALA 134 -1.087 -30.038 20.855 1.00 41.22 ATOM 2222 O ALA 134 -0.818 -28.841 20.953 1.00 2.02 ATOM 2223 N ALA 135 -0.264 -30.921 20.300 1.00 63.32 ATOM 2224 HN ALA 135 -0.522 -31.872 20.261 1.00 37.05 ATOM 2225 CA ALA 135 1.031 -30.525 19.761 1.00 63.03 ATOM 2226 HA ALA 135 1.585 -30.021 20.543 1.00 2.44 ATOM 2227 CB ALA 135 1.827 -31.753 19.342 1.00 53.30 ATOM 2228 HB1 ALA 135 2.829 -31.457 19.071 1.00 73.20 ATOM 2229 HB2 ALA 135 1.356 -32.229 18.496 1.00 62.32 ATOM 2230 HB3 ALA 135 1.871 -32.449 20.166 1.00 64.53 ATOM 2231 C ALA 135 0.867 -29.572 18.582 1.00 11.41 ATOM 2232 O ALA 135 1.486 -28.508 18.541 1.00 11.13 ATOM 2233 N ILE 136 0.030 -29.960 17.626 1.00 42.44 ATOM 2234 HN ILE 136 -0.438 -30.825 17.714 1.00 37.05 ATOM 2235 CA ILE 136 -0.215 -29.138 16.447 1.00 71.34 ATOM 2236 HA ILE 136 0.736 -28.941 15.966 1.00 52.40 ATOM 2237 CB ILE 136 -1.127 -29.861 15.437 1.00 10.53 ATOM 2238 HB ILE 136 -2.052 -30.103 15.941 1.00 11.41 ATOM 2239 CG1 ILE 136 -0.453 -31.137 14.931 1.00 72.43 ATOM 2240 HG11 ILE 136 0.524 -31.248 15.386 1.00 37.05 ATOM 2241 HG12 ILE 136 -0.327 -31.096 13.858 1.00 52.42 ATOM 2242 CG2 ILE 136 -1.467 -28.938 14.276 1.00 21.12 ATOM 2243 HG21 ILE 136 -2.389 -28.424 14.507 1.00 34.31 ATOM 2244 HG22 ILE 136 -1.606 -29.500 13.362 1.00 33.54 ATOM 2245 HG23 ILE 136 -0.696 -28.204 14.129 1.00 35.23 ATOM 2246 CD1 ILE 136 -1.236 -32.395 15.236 1.00 63.51 ATOM 2247 HD11 ILE 136 -2.041 -32.197 15.931 1.00 24.23 ATOM 2248 HD12 ILE 136 -0.568 -33.098 15.671 1.00 10.40 ATOM 2249 HD13 ILE 136 -1.641 -32.800 14.322 1.00 25.13 ATOM 2250 C ILE 136 -0.852 -27.806 16.827 1.00 22.14 ATOM 2251 O ILE 136 -0.384 -26.743 16.418 1.00 72.41 ATOM 2252 N ASP 137 -1.920 -27.871 17.615 1.00 41.14 ATOM 2253 HN ASP 137 -2.251 -28.754 17.907 1.00 37.05 ATOM 2254 CA ASP 137 -2.620 -26.669 18.054 1.00 61.31 ATOM 2255 HA ASP 137 -3.043 -26.191 17.182 1.00 4.14 ATOM 2256 CB ASP 137 -3.752 -27.036 19.015 1.00 52.44 ATOM 2257 HB1 ASP 137 -3.355 -27.649 19.811 1.00 37.05 ATOM 2258 HB2 ASP 137 -4.505 -27.593 18.478 1.00 70.31 ATOM 2259 CG ASP 137 -4.407 -25.815 19.630 1.00 1.51 ATOM 2260 OD1 ASP 137 -5.422 -25.344 19.077 1.00 75.03 ATOM 2261 OD2 ASP 137 -3.903 -25.329 20.665 1.00 52.22 ATOM 2262 C ASP 137 -1.658 -25.696 18.729 1.00 72.32 ATOM 2263 O ASP 137 -1.648 -24.504 18.422 1.00 73.43 ATOM 2264 N SER 138 -0.852 -26.213 19.651 1.00 43.14 ATOM 2265 HN SER 138 -0.909 -27.177 19.859 1.00 37.05 ATOM 2266 CA SER 138 0.110 -25.389 20.373 1.00 44.12 ATOM 2267 HA SER 138 -0.440 -24.647 20.935 1.00 34.45 ATOM 2268 CB SER 138 0.920 -26.248 21.346 1.00 10.44 ATOM 2269 HB1 SER 138 1.899 -25.810 21.504 1.00 37.05 ATOM 2270 HB2 SER 138 1.042 -27.243 20.944 1.00 4.02 ATOM 2271 OG SER 138 0.274 -26.339 22.604 1.00 33.42 ATOM 2272 HG SER 138 -0.422 -27.000 22.563 1.00 21.40 ATOM 2273 C SER 138 1.049 -24.675 19.405 1.00 62.22 ATOM 2274 O SER 138 1.573 -23.604 19.707 1.00 12.13 ATOM 2275 N ASN 139 1.257 -25.278 18.239 1.00 72.32 ATOM 2276 HN ASN 139 0.857 -26.153 18.064 1.00 37.05 ATOM 2277 CA ASN 139 2.133 -24.702 17.225 1.00 12.33 ATOM 2278 HA ASN 139 2.976 -24.236 17.725 1.00 30.53 ATOM 2279 CB ASN 139 2.644 -25.793 16.283 1.00 50.15 ATOM 2280 HB1 ASN 139 2.736 -25.402 15.277 1.00 37.05 ATOM 2281 HB2 ASN 139 1.958 -26.622 16.269 1.00 64.22 ATOM 2282 CG ASN 139 4.004 -26.322 16.694 1.00 3.02 ATOM 2283 OD1 ASN 139 5.018 -26.013 16.068 1.00 22.30 ATOM 2284 ND2 ASN 139 4.032 -27.124 17.752 1.00 35.03 ATOM 2285 HD21 ASN 139 3.190 -27.337 18.214 1.00 45.31 ATOM 2286 HD22 ASN 139 4.902 -27.476 18.034 1.00 51.24 ATOM 2287 C ASN 139 1.405 -23.624 16.427 1.00 65.01 ATOM 2288 O ASN 139 1.961 -22.561 16.151 1.00 51.33 ATOM 2289 N ARG 140 0.160 -23.907 16.060 1.00 52.31 ATOM 2290 HN ARG 140 -0.236 -24.767 16.333 1.00 37.05 ATOM 2291 CA ARG 140 -0.644 -22.962 15.293 1.00 64.30 ATOM 2292 HA ARG 140 -0.084 -22.677 14.412 1.00 42.11 ATOM 2293 CB ARG 140 -1.954 -23.616 14.851 1.00 32.11 ATOM 2294 HB1 ARG 140 -2.411 -22.984 14.102 1.00 37.05 ATOM 2295 HB2 ARG 140 -2.621 -23.688 15.703 1.00 61.22 ATOM 2296 CG ARG 140 -1.776 -25.015 14.284 1.00 31.01 ATOM 2297 HG1 ARG 140 -2.017 -25.729 15.054 1.00 37.05 ATOM 2298 HG2 ARG 140 -0.756 -25.159 13.962 1.00 12.04 ATOM 2299 CD ARG 140 -2.700 -25.258 13.101 1.00 63.23 ATOM 2300 HD1 ARG 140 -2.469 -26.226 12.684 1.00 37.05 ATOM 2301 HD2 ARG 140 -2.525 -24.493 12.356 1.00 53.51 ATOM 2302 NE ARG 140 -4.106 -25.247 13.493 1.00 54.31 ATOM 2303 HE ARG 140 -4.317 -25.245 14.456 1.00 55.21 ATOM 2304 CZ ARG 140 -5.111 -25.243 12.624 1.00 35.43 ATOM 2305 NH1 ARG 140 -4.866 -25.251 11.321 1.00 31.24 ATOM 2306 HH11 ARG 140 -3.934 -25.262 10.965 1.00 34.23 ATOM 2307 HH12 ARG 140 -5.632 -25.246 10.674 1.00 2.15 ATOM 2308 NH2 ARG 140 -6.365 -25.233 13.059 1.00 53.13 ATOM 2309 HH21 ARG 140 -6.557 -25.228 14.043 1.00 31.22 ATOM 2310 HH22 ARG 140 -7.125 -25.230 12.406 1.00 22.34 ATOM 2311 C ARG 140 -0.939 -21.709 16.112 1.00 63.02 ATOM 2312 O ARG 140 -1.046 -20.610 15.567 1.00 60.43 ATOM 2313 N ARG 141 -1.069 -21.882 17.423 1.00 32.30 ATOM 2314 HN ARG 141 -0.986 -22.786 17.808 1.00 37.05 ATOM 2315 CA ARG 141 -1.354 -20.766 18.317 1.00 44.04 ATOM 2316 HA ARG 141 -2.237 -20.256 17.953 1.00 51.53 ATOM 2317 CB ARG 141 -1.631 -21.276 19.732 1.00 52.11 ATOM 2318 HB1 ARG 141 -0.775 -21.847 20.068 1.00 37.05 ATOM 2319 HB2 ARG 141 -2.496 -21.924 19.702 1.00 52.40 ATOM 2320 CG ARG 141 -1.898 -20.168 20.737 1.00 0.52 ATOM 2321 HG1 ARG 141 -2.781 -19.627 20.430 1.00 37.05 ATOM 2322 HG2 ARG 141 -1.054 -19.494 20.760 1.00 2.44 ATOM 2323 CD ARG 141 -2.099 -20.723 22.138 1.00 12.15 ATOM 2324 HD1 ARG 141 -1.307 -20.330 22.760 1.00 37.05 ATOM 2325 HD2 ARG 141 -2.038 -21.805 22.125 1.00 4.42 ATOM 2326 NE ARG 141 -3.389 -20.334 22.701 1.00 15.13 ATOM 2327 HE ARG 141 -4.093 -20.033 22.080 1.00 74.03 ATOM 2328 CZ ARG 141 -3.667 -20.373 24.000 1.00 63.12 ATOM 2329 NH1 ARG 141 -2.749 -20.781 24.865 1.00 23.40 ATOM 2330 HH11 ARG 141 -1.842 -21.068 24.570 1.00 52.12 ATOM 2331 HH12 ARG 141 -2.968 -20.803 25.843 1.00 4.24 ATOM 2332 NH2 ARG 141 -4.864 -20.003 24.435 1.00 12.13 ATOM 2333 HH21 ARG 141 -5.562 -19.693 23.786 1.00 23.41 ATOM 2334 HH22 ARG 141 -5.076 -20.032 25.414 1.00 42.15 ATOM 2335 C ARG 141 -0.191 -19.778 18.339 1.00 11.12 ATOM 2336 O ARG 141 -0.391 -18.568 18.238 1.00 51.01 ATOM 2337 N GLU 142 1.023 -20.303 18.473 1.00 12.04 ATOM 2338 HN GLU 142 1.122 -21.282 18.552 1.00 37.05 ATOM 2339 CA GLU 142 2.216 -19.466 18.511 1.00 64.33 ATOM 2340 HA GLU 142 2.072 -18.717 19.284 1.00 64.41 ATOM 2341 CB GLU 142 3.445 -20.308 18.862 1.00 43.33 ATOM 2342 HB1 GLU 142 4.342 -19.787 18.548 1.00 37.05 ATOM 2343 HB2 GLU 142 3.385 -21.247 18.327 1.00 23.34 ATOM 2344 CG GLU 142 3.579 -20.600 20.347 1.00 50.22 ATOM 2345 HG1 GLU 142 2.607 -20.862 20.747 1.00 37.05 ATOM 2346 HG2 GLU 142 3.942 -19.713 20.843 1.00 3.14 ATOM 2347 CD GLU 142 4.539 -21.738 20.633 1.00 31.14 ATOM 2348 OE1 GLU 142 5.648 -21.737 20.058 1.00 34.43 ATOM 2349 OE2 GLU 142 4.182 -22.629 21.432 1.00 72.32 ATOM 2350 C GLU 142 2.432 -18.765 17.172 1.00 33.54 ATOM 2351 O GLU 142 2.644 -19.412 16.148 1.00 65.23 ATOM 2352 N GLY 143 2.374 -17.437 17.190 1.00 32.13 ATOM 2353 HN GLY 143 2.211 -16.963 18.039 1.00 37.05 ATOM 2354 CA GLY 143 2.563 -16.670 15.973 1.00 4.12 ATOM 2355 HA1 GLY 143 2.453 -17.306 15.102 1.00 37.05 ATOM 2356 HA2 GLY 143 3.563 -16.263 15.975 1.00 3.24 ATOM 2357 C GLY 143 1.577 -15.525 15.850 1.00 63.31 ATOM 2358 O GLY 143 1.973 -14.373 15.672 1.00 14.02 ATOM 2359 N ARG 144 0.290 -15.843 15.943 1.00 41.34 ATOM 2360 HN ARG 144 0.033 -16.783 16.103 1.00 37.05 ATOM 2361 CA ARG 144 -0.755 -14.832 15.837 1.00 35.22 ATOM 2362 HA ARG 144 -0.440 -14.080 15.123 1.00 21.54 ATOM 2363 CB ARG 144 -2.055 -15.463 15.334 1.00 51.01 ATOM 2364 HB1 ARG 144 -2.772 -14.680 15.136 1.00 37.05 ATOM 2365 HB2 ARG 144 -2.450 -16.115 16.105 1.00 34.11 ATOM 2366 CG ARG 144 -1.884 -16.279 14.063 1.00 41.42 ATOM 2367 HG1 ARG 144 -1.108 -17.017 14.211 1.00 37.05 ATOM 2368 HG2 ARG 144 -1.601 -15.616 13.259 1.00 52.11 ATOM 2369 CD ARG 144 -3.172 -16.990 13.679 1.00 12.53 ATOM 2370 HD1 ARG 144 -3.125 -17.200 12.619 1.00 37.05 ATOM 2371 HD2 ARG 144 -4.020 -16.346 13.877 1.00 21.24 ATOM 2372 NE ARG 144 -3.342 -18.244 14.407 1.00 73.54 ATOM 2373 HE ARG 144 -2.779 -18.396 15.202 1.00 22.32 ATOM 2374 CZ ARG 144 -4.215 -19.183 14.058 1.00 31.33 ATOM 2375 NH1 ARG 144 -4.993 -19.010 12.998 1.00 4.14 ATOM 2376 HH11 ARG 144 -4.946 -18.182 12.445 1.00 4.13 ATOM 2377 HH12 ARG 144 -5.646 -19.727 12.742 1.00 72.05 ATOM 2378 NH2 ARG 144 -4.311 -20.299 14.771 1.00 52.35 ATOM 2379 HH21 ARG 144 -3.726 -20.436 15.573 1.00 25.11 ATOM 2380 HH22 ARG 144 -4.969 -21.009 14.510 1.00 73.52 ATOM 2381 C ARG 144 -0.994 -14.155 17.183 1.00 14.34 ATOM 2382 O ARG 144 -0.340 -14.475 18.176 1.00 61.24 ATOM 2383 N ARG 145 -1.935 -13.217 17.209 1.00 14.41 ATOM 2384 HN ARG 145 -2.403 -12.986 16.375 1.00 37.05 ATOM 2385 HA ARG 145 -1.339 -12.106 18.852 1.00 41.13 ATOM 2386 CB ARG 145 -3.189 -11.318 18.124 1.00 13.21 ATOM 2387 HB1 ARG 145 -2.667 -10.630 17.475 1.00 37.05 ATOM 2388 HB2 ARG 145 -3.425 -10.807 19.051 1.00 34.45 ATOM 2389 CG ARG 145 -4.481 -11.728 17.436 1.00 41.33 ATOM 2390 HG1 ARG 145 -4.865 -12.637 17.877 1.00 37.05 ATOM 2391 HG2 ARG 145 -4.281 -11.899 16.389 1.00 21.25 ATOM 2392 CD ARG 145 -5.546 -10.649 17.561 1.00 25.11 ATOM 2393 HD1 ARG 145 -5.472 -10.188 18.539 1.00 37.05 ATOM 2394 HD2 ARG 145 -6.516 -11.115 17.462 1.00 71.12 ATOM 2395 NE ARG 145 -5.412 -9.626 16.528 1.00 50.41 ATOM 2396 HE ARG 145 -4.833 -9.824 15.755 1.00 54.21 ATOM 2397 CZ ARG 145 -6.031 -8.451 16.573 1.00 72.24 ATOM 2398 NH1 ARG 145 -6.822 -8.153 17.594 1.00 31.42 ATOM 2399 HH11 ARG 145 -6.974 -8.794 18.343 1.00 5.24 ATOM 2400 HH12 ARG 145 -7.281 -7.262 17.619 1.00 52.20 ATOM 2401 NH2 ARG 145 -5.859 -7.572 15.594 1.00 14.40 ATOM 2402 HH21 ARG 145 -5.263 -7.791 14.819 1.00 22.53 ATOM 2403 HH22 ARG 145 -6.325 -6.685 15.625 1.00 22.34 ATOM 2404 CA ARG 145 -2.259 -12.493 18.432 1.00 14.35 ATOM 2405 C ARG 145 -2.913 -13.418 19.455 1.00 51.03 ATOM 2406 OT1 ARG 145 -2.455 -14.567 19.631 1.00 37.05 ATOM 2407 OT2 ARG 145 -3.886 -12.993 20.130 1.00 37.05 ATOM 2408 OH2 TIP3 1 -1.533 -53.491 -12.685 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.582 -54.446 -12.722 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.359 -53.223 -12.283 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -4.251 -49.623 -11.578 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -4.051 -49.199 -12.413 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.595 -49.280 -10.971 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -4.538 -51.611 -17.931 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -4.694 -50.933 -18.588 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -3.606 -51.539 -17.728 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -1.822 -50.961 -17.702 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -1.844 -50.776 -16.763 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -1.132 -50.392 -18.043 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -2.259 -51.394 -14.780 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -2.746 -52.129 -15.151 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -1.710 -51.787 -14.102 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -3.867 -53.631 -15.549 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -4.515 -53.306 -14.924 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -4.385 -54.071 -16.224 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -5.233 -49.775 -15.835 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -5.415 -48.859 -16.046 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -5.057 -50.185 -16.682 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -3.886 -52.340 -11.972 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -4.668 -52.526 -12.492 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -3.958 -51.411 -11.755 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -8.336 -58.454 -3.086 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -8.247 -57.510 -3.218 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -8.975 -58.729 -3.744 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -9.403 -59.199 0.333 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -9.441 -59.845 1.038 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -9.726 -59.665 -0.438 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -5.697 -56.260 -1.365 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -6.138 -56.980 -0.915 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -5.710 -55.539 -0.735 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -11.014 -56.766 0.739 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.710 -57.452 0.145 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -10.292 -56.648 1.357 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.873 -62.372 1.067 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -7.730 -63.319 1.087 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.979 -62.165 0.138 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -1.959 -63.687 3.836 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -2.648 -63.029 3.741 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -1.944 -63.884 4.773 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -8.539 -55.853 -4.043 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.835 -56.175 -4.894 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -8.863 -54.953 -4.001 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -5.774 -54.738 -3.883 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -6.031 -55.428 -4.495 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -5.703 -55.181 -3.038 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -6.312 -60.826 4.386 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -6.232 -60.063 4.958 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -6.913 -60.547 3.695 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -7.888 -54.098 1.568 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -8.129 -53.436 2.216 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -8.086 -54.932 1.993 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -13.317 -55.202 5.551 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -13.629 -54.420 6.007 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -13.967 -55.355 4.865 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -9.612 -53.101 -3.562 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -9.138 -52.806 -2.784 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -10.175 -52.363 -3.795 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -15.078 -53.130 6.315 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -15.070 -53.266 5.367 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -15.994 -53.248 6.567 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -2.450 -53.722 -8.807 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -2.377 -52.783 -8.637 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -1.545 -54.027 -8.864 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -10.140 -50.145 -5.147 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.215 -50.266 -6.093 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -10.107 -49.195 -5.028 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -7.038 -50.991 -8.144 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -6.663 -51.735 -8.615 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -7.034 -51.261 -7.226 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -7.369 -51.065 -5.395 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -8.304 -50.965 -5.216 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -7.089 -51.774 -4.817 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -4.381 -61.998 6.651 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -4.788 -61.517 5.931 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -4.340 -62.903 6.344 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -6.624 -63.666 4.872 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -7.138 -63.792 5.669 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -6.779 -62.754 4.627 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -9.887 -61.366 6.956 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -10.450 -62.070 7.276 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -9.061 -61.486 7.423 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -8.721 -60.457 2.953 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -8.397 -61.088 2.310 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -9.161 -60.992 3.614 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -9.933 -56.957 4.960 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -10.279 -57.338 5.766 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -10.133 -56.023 5.031 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -3.656 -53.464 -6.258 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -4.029 -54.290 -5.948 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -3.379 -53.647 -7.155 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -6.496 -58.656 0.764 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -7.424 -58.888 0.737 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -6.045 -59.433 0.434 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -12.011 -52.516 2.788 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -11.648 -51.661 2.555 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -11.479 -52.808 3.529 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -8.467 -56.417 2.489 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -8.893 -56.644 3.315 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -7.886 -57.155 2.306 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -1.760 -51.008 -8.236 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -1.017 -50.422 -8.376 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -2.455 -50.440 -7.903 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -5.398 -56.815 -6.211 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -5.675 -57.543 -5.655 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -4.471 -56.696 -6.005 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -10.498 -53.108 -6.785 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -11.315 -52.611 -6.732 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -9.969 -52.633 -7.425 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -4.227 -64.618 5.207 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -5.143 -64.355 5.119 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -3.891 -64.621 4.310 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -5.625 -60.867 -0.697 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -6.422 -61.282 -1.026 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -5.180 -61.558 -0.206 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -14.227 -52.021 8.773 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -13.459 -52.480 9.114 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -14.248 -52.247 7.843 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -12.262 -57.160 7.540 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -12.590 -56.889 6.682 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -12.110 -58.101 7.452 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -9.118 -58.450 8.179 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -8.165 -58.366 8.151 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -9.278 -59.161 8.798 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -11.804 -59.757 3.716 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -11.053 -59.913 3.143 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -12.143 -58.905 3.440 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -7.388 -61.942 8.744 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -7.196 -62.873 8.633 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -6.531 -61.517 8.734 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -2.507 -57.347 -5.772 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -1.657 -56.926 -5.644 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -2.502 -58.087 -5.164 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -2.113 -59.294 -3.948 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -2.839 -59.773 -3.550 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -1.532 -59.088 -3.216 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -1.973 -60.900 6.938 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -2.836 -61.279 6.773 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -1.369 -61.639 6.864 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -4.004 -62.609 0.513 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -3.071 -62.397 0.479 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -4.239 -62.507 1.436 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -3.975 -61.872 3.289 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -4.818 -61.604 3.655 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.532 -61.050 3.078 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -14.745 -52.967 3.528 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -15.170 -52.158 3.245 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -13.840 -52.882 3.226 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -14.876 -50.111 2.605 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -15.741 -50.039 3.009 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -14.931 -49.564 1.821 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -13.250 -51.908 -0.011 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -13.037 -52.796 -0.298 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -13.185 -51.942 0.944 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -9.813 -50.654 -7.946 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -8.947 -50.288 -8.124 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -10.060 -51.094 -8.759 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -3.104 -51.091 -5.266 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -3.298 -51.839 -5.831 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -3.143 -50.333 -5.850 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -5.697 -56.260 17.491 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -6.138 -56.980 17.941 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -5.710 -55.539 18.121 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -8.586 -51.155 17.703 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -7.966 -51.832 17.430 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -8.794 -51.373 18.611 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -8.539 -55.853 14.813 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -8.835 -56.175 13.962 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -8.863 -54.953 14.855 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -5.185 -54.420 19.839 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -6.127 -54.362 20.000 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.909 -53.514 19.702 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -6.933 -52.639 16.464 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -6.508 -53.346 15.979 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -6.616 -51.838 16.047 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.774 -54.738 14.973 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -6.031 -55.428 14.361 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -5.703 -55.181 15.818 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -7.888 -54.098 20.424 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -8.129 -53.436 21.072 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -8.086 -54.932 20.849 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -9.612 -53.101 15.294 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -9.138 -52.806 16.072 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -10.175 -52.363 15.061 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -10.140 -50.145 13.709 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -10.215 -50.266 12.763 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -10.107 -49.195 13.828 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -7.369 -51.065 13.461 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -8.304 -50.965 13.640 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -7.089 -51.774 14.039 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -5.861 -58.805 9.489 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -5.819 -59.028 8.559 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -5.012 -58.407 9.679 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -9.327 -55.682 11.604 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -9.622 -54.856 11.986 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -10.030 -56.302 11.800 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -6.264 -55.488 10.419 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -5.911 -55.868 11.223 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -7.213 -55.581 10.505 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -5.398 -56.815 12.645 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -5.675 -57.543 13.201 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -4.471 -56.696 12.851 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -12.173 -54.376 8.866 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -11.934 -55.124 8.318 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -12.442 -54.764 9.698 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -13.236 -54.806 11.322 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -13.089 -55.326 12.112 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -13.239 -53.899 11.628 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -10.498 -53.108 12.071 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -11.315 -52.611 12.124 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -9.969 -52.633 11.431 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -13.160 -52.065 12.053 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -12.999 -51.265 11.552 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -13.357 -51.758 12.938 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -4.538 -51.611 19.781 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -4.694 -50.933 19.124 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -3.606 -51.539 19.984 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -9.224 -55.739 8.831 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -9.492 -55.559 9.732 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -9.430 -56.665 8.700 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -2.966 -58.216 9.109 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -3.239 -58.641 8.296 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -2.926 -57.285 8.892 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -12.458 -49.880 10.665 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -11.525 -49.722 10.809 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -12.722 -49.205 10.040 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -1.822 -50.961 20.010 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -1.844 -50.776 20.949 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -1.132 -50.392 19.669 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.259 -51.394 22.932 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -2.746 -52.129 22.561 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -1.710 -51.787 23.610 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.507 -57.347 13.084 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -1.657 -56.926 13.212 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -2.502 -58.087 13.692 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -2.113 -59.294 14.908 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.839 -59.773 15.306 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -1.532 -59.088 15.640 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -2.354 -56.509 19.856 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -1.520 -56.887 19.575 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -2.242 -55.566 19.737 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -3.867 -53.631 22.163 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -4.515 -53.306 22.788 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -4.385 -54.071 21.488 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -1.845 -59.393 11.299 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -2.366 -59.036 10.580 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -1.878 -58.718 11.977 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -3.496 -62.153 9.850 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -3.399 -61.486 9.170 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -3.636 -62.969 9.368 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -7.838 -51.345 21.582 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -8.742 -51.180 21.316 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -7.409 -50.492 21.516 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -5.233 -49.775 21.877 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -5.415 -48.859 21.666 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -5.057 -50.185 21.030 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -9.813 -50.654 10.910 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -8.947 -50.288 10.732 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -10.060 -51.094 10.097 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -8.336 -39.598 -21.942 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -8.247 -38.654 -22.074 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -8.975 -39.873 -22.600 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -5.697 -37.404 -20.221 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -6.138 -38.124 -19.771 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -5.710 -36.683 -19.591 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -11.014 -37.910 -18.117 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -10.710 -38.596 -18.711 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -10.292 -37.792 -17.499 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -2.351 -46.309 -17.256 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -2.302 -45.699 -16.520 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -1.925 -45.848 -17.979 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -6.996 -45.284 -22.116 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -6.350 -45.613 -21.491 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -6.486 -44.766 -22.739 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -12.942 -41.468 -20.539 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -12.326 -41.994 -20.030 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -13.528 -42.108 -20.943 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -8.539 -36.997 -22.899 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -8.835 -37.319 -23.750 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -8.863 -36.097 -22.857 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -13.339 -38.821 -16.155 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -14.079 -38.223 -16.052 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -12.625 -38.267 -16.471 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -5.232 -45.993 -20.135 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -5.447 -46.759 -19.603 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -4.576 -45.521 -19.622 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -4.885 -47.278 -16.456 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -5.621 -46.667 -16.494 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -4.201 -46.863 -16.982 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.933 -33.783 -21.248 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.508 -34.490 -21.733 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -6.616 -32.982 -21.665 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -5.774 -35.882 -22.739 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -6.031 -36.572 -23.351 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -5.703 -36.325 -21.894 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -9.615 -40.354 -24.490 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -10.327 -39.819 -24.841 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -8.924 -40.298 -25.150 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -6.209 -40.144 -23.538 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -6.941 -39.916 -22.965 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -5.762 -40.858 -23.083 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -14.197 -40.745 -18.022 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -13.632 -40.624 -18.785 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -13.878 -40.108 -17.383 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.888 -35.242 -17.288 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.129 -34.580 -16.640 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -8.086 -36.076 -16.863 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -10.554 -35.061 -13.809 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -10.467 -34.235 -13.334 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -11.418 -35.391 -13.560 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -9.950 -48.566 -14.838 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -9.530 -48.981 -14.085 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -10.883 -48.744 -14.721 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -14.522 -43.322 -17.117 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -15.164 -43.363 -16.408 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -14.485 -42.396 -17.355 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -8.989 -42.685 -23.388 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -9.398 -41.870 -23.680 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -8.269 -42.825 -24.003 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -9.887 -42.510 -11.900 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -10.450 -43.214 -11.580 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -9.061 -42.630 -11.433 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -11.943 -45.674 -21.119 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -12.854 -45.617 -20.830 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -11.438 -45.734 -20.308 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -7.538 -46.439 -17.855 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -8.215 -46.308 -17.191 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -8.024 -46.594 -18.665 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -4.251 -30.767 -11.578 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -4.051 -30.343 -12.413 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -3.595 -30.424 -10.971 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -10.623 -42.886 -19.232 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -10.059 -43.433 -19.779 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -10.771 -43.408 -18.443 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -11.997 -44.498 -16.818 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -12.832 -44.044 -16.708 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -11.473 -44.222 -16.066 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -9.933 -38.101 -13.896 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -10.279 -38.482 -13.090 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -10.133 -37.167 -13.825 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.837 -43.604 -25.273 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -5.945 -43.741 -24.954 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -6.780 -42.813 -25.810 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -12.303 -41.012 -11.836 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -12.599 -41.178 -12.731 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -11.372 -41.232 -11.846 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -7.683 -35.639 -13.946 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -8.584 -35.456 -14.214 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -7.649 -35.380 -13.025 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -12.526 -37.809 -22.383 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -12.767 -36.884 -22.341 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -13.266 -38.268 -21.987 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.951 -46.035 -15.601 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -8.253 -45.961 -14.951 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -9.332 -46.899 -15.446 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -10.967 -44.655 -23.669 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.155 -44.151 -23.623 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -11.212 -44.800 -22.755 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -10.431 -43.669 -14.484 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -10.312 -43.095 -13.727 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -9.776 -44.357 -14.369 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -4.538 -32.755 -17.931 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -4.694 -32.077 -18.588 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -3.606 -32.683 -17.728 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -7.650 -34.785 -11.354 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -8.001 -35.641 -11.111 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -6.924 -34.642 -10.747 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -12.262 -38.304 -11.316 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -12.590 -38.033 -12.174 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -12.110 -39.245 -11.404 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -9.118 -39.594 -10.677 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -8.165 -39.510 -10.705 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -9.278 -40.305 -10.058 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -11.804 -40.901 -15.140 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -11.053 -41.057 -15.713 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -12.143 -40.049 -15.416 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -7.388 -43.086 -10.112 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -7.196 -44.017 -10.223 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.531 -42.661 -10.122 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -11.316 -44.562 -11.385 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -11.552 -44.782 -10.483 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -12.099 -44.769 -11.894 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -8.600 -45.435 -12.309 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.548 -45.403 -12.177 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -8.288 -46.060 -11.655 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -6.966 -46.801 -10.304 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -7.063 -47.753 -10.310 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -7.288 -46.532 -9.443 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -2.113 -40.438 -22.804 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -2.839 -40.917 -22.406 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -1.532 -40.232 -22.072 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -4.326 -41.917 -22.241 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -4.476 -42.862 -22.261 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -4.680 -41.636 -21.397 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -4.616 -44.334 -23.779 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -4.336 -45.241 -23.654 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -3.857 -43.900 -24.168 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -1.692 -49.036 -10.213 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -1.342 -49.690 -10.819 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -1.545 -48.199 -10.653 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -5.084 -32.015 -22.130 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -4.431 -32.362 -22.738 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -4.573 -31.526 -21.484 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -8.089 -31.427 -13.125 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -7.412 -32.059 -13.365 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -7.767 -31.025 -12.317 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -3.171 -48.837 -14.045 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -3.984 -48.512 -14.433 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -2.938 -49.597 -14.578 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -7.838 -32.489 -16.130 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -8.742 -32.324 -16.396 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -7.409 -31.636 -16.196 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -5.233 -30.919 -15.835 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -5.415 -30.003 -16.046 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -5.057 -31.329 -16.682 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -9.741 -47.388 -19.722 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.416 -48.017 -19.467 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.177 -47.872 -20.325 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -4.599 -49.281 -19.610 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -3.995 -48.733 -20.111 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -5.468 -48.961 -19.850 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.278 -48.797 -20.438 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -7.202 -48.702 -21.387 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -7.554 -49.705 -20.309 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -3.104 -32.235 -24.122 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -3.298 -32.983 -24.687 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -3.143 -31.477 -24.706 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -9.403 -40.343 0.333 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -9.441 -40.989 1.038 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.726 -40.809 -0.438 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -5.697 -37.404 -1.365 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -6.138 -38.124 -0.915 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -5.710 -36.683 -0.735 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -8.586 -32.299 -1.153 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -7.966 -32.976 -1.426 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -8.794 -32.517 -0.245 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -15.908 -46.497 2.413 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -16.127 -45.967 1.647 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -16.576 -46.270 3.061 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -8.539 -36.997 -4.043 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -8.835 -37.319 -4.894 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -8.863 -36.097 -4.001 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -13.339 -38.821 2.701 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -14.079 -38.223 2.804 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -12.625 -38.267 2.385 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -11.882 -49.191 -0.134 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -11.999 -50.140 -0.188 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -12.737 -48.859 0.139 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -6.933 -33.783 -2.392 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -6.508 -34.490 -2.877 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -6.616 -32.982 -2.809 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -9.615 -40.354 -5.634 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -10.327 -39.819 -5.985 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -8.924 -40.298 -6.294 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -9.561 -41.896 -8.595 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -8.860 -41.874 -7.944 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -9.259 -42.524 -9.251 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -14.197 -40.745 0.834 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -13.632 -40.624 0.071 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -13.878 -40.108 1.473 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -7.888 -35.242 1.568 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -8.129 -34.580 2.216 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -8.086 -36.076 1.993 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -9.612 -34.245 -3.562 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -9.138 -33.950 -2.784 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -10.175 -33.507 -3.795 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -3.640 -49.232 -7.184 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.539 -49.093 -6.889 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -3.388 -48.401 -7.586 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -7.038 -32.135 -8.144 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -6.663 -32.879 -8.615 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -7.034 -32.405 -7.226 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -7.369 -32.209 -5.395 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -8.304 -32.109 -5.216 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -7.089 -32.918 -4.817 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -14.613 -48.288 0.644 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -15.474 -48.375 0.236 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -14.635 -47.432 1.071 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -14.522 -43.322 1.739 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -15.164 -43.363 2.448 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -14.485 -42.396 1.501 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -8.989 -42.685 -4.532 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -9.398 -41.870 -4.824 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -8.269 -42.825 -5.147 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -11.943 -45.674 -2.263 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -12.854 -45.617 -1.974 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -11.438 -45.734 -1.452 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -10.623 -42.886 -0.376 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.059 -43.433 -0.923 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -10.771 -43.408 0.413 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -11.997 -44.498 2.038 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -12.832 -44.044 2.148 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -11.473 -44.222 2.790 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -11.453 -38.285 -6.277 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -12.197 -38.792 -6.600 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -11.587 -38.236 -5.331 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -7.555 -45.471 -8.078 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -8.493 -45.359 -8.229 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -7.258 -44.614 -7.772 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -9.933 -38.101 4.960 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -10.279 -38.482 5.766 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -10.133 -37.167 5.031 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -9.327 -36.826 -7.252 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -9.622 -36.000 -6.870 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -10.030 -37.446 -7.056 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -12.303 -41.012 7.020 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -12.599 -41.178 6.125 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -11.372 -41.232 7.010 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -7.683 -35.639 4.910 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -8.584 -35.456 4.642 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -7.649 -35.380 5.831 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -6.496 -39.800 0.764 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -7.424 -40.032 0.737 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -6.045 -40.577 0.434 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -8.467 -37.561 2.489 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.893 -37.788 3.315 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -7.886 -38.299 2.306 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -6.264 -36.632 -8.437 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -5.911 -37.012 -7.633 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -7.213 -36.725 -8.351 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -5.808 -33.009 4.958 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -6.410 -33.564 4.463 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -5.527 -32.342 4.332 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -1.760 -32.152 -8.236 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -1.017 -31.566 -8.376 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -2.455 -31.584 -7.903 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -8.167 -46.383 -5.648 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -7.947 -45.911 -6.451 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -7.609 -45.988 -4.977 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -10.967 -44.655 -4.813 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -10.155 -44.151 -4.767 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -11.212 -44.800 -3.899 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -10.083 -47.574 -3.875 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -10.430 -46.956 -3.230 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -9.425 -47.073 -4.356 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -7.650 -34.785 7.502 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -8.001 -35.641 7.745 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -6.924 -34.642 8.109 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -5.531 -33.840 -9.618 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -5.248 -34.634 -9.165 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -4.791 -33.607 -10.179 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -12.262 -38.304 7.540 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -12.590 -38.033 6.682 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -12.110 -39.245 7.452 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -9.224 -36.883 -10.025 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -9.492 -36.703 -9.124 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -9.430 -37.809 -10.156 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -6.527 -38.388 4.923 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -5.782 -37.800 4.803 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -7.284 -37.806 4.986 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -14.138 -42.065 4.901 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -14.756 -41.390 5.182 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -13.794 -41.744 4.068 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.118 -39.594 8.179 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.165 -39.510 8.151 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.278 -40.305 8.798 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -13.798 -44.710 5.984 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -13.648 -45.439 5.381 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -13.796 -43.933 5.425 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -13.386 -46.340 3.476 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -12.850 -45.889 2.824 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -14.238 -46.448 3.054 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -11.804 -40.901 3.716 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -11.053 -41.057 3.143 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -12.143 -40.049 3.440 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -15.320 -43.512 7.895 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -16.087 -44.044 7.685 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -14.641 -43.822 7.296 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -12.580 -48.884 3.908 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -12.678 -47.937 3.802 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -13.323 -49.256 3.432 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -12.358 -49.590 6.579 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -11.646 -50.230 6.565 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -12.459 -49.323 5.665 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -4.248 -45.889 -9.889 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -3.638 -46.261 -9.252 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -5.085 -46.311 -9.693 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -5.084 -32.015 -3.274 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -4.431 -32.362 -3.882 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -4.573 -31.526 -2.628 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -8.089 -31.427 5.731 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -7.412 -32.059 5.491 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -7.767 -31.025 6.539 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -7.838 -32.489 2.726 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -8.742 -32.324 2.460 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -7.409 -31.636 2.660 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -5.233 -30.919 3.021 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -5.415 -30.003 2.810 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -5.057 -31.329 2.174 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -12.835 -48.827 -3.231 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -11.961 -48.439 -3.261 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -12.971 -49.042 -2.308 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -5.925 -48.771 -5.889 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -6.628 -48.157 -6.099 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -6.370 -49.609 -5.758 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -15.484 -48.889 8.009 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -14.585 -49.163 7.824 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -15.870 -49.632 8.473 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.336 -39.598 15.770 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.247 -38.654 15.638 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.975 -39.873 15.112 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -9.403 -40.343 19.189 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -9.441 -40.989 19.894 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -9.726 -40.809 18.418 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -11.014 -37.910 19.595 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -10.710 -38.596 19.001 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -10.292 -37.792 20.213 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -2.351 -46.309 20.456 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -2.302 -45.699 21.192 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -1.925 -45.848 19.733 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -8.539 -36.997 14.813 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -8.835 -37.319 13.962 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -8.863 -36.097 14.855 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -13.339 -38.821 21.557 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -14.079 -38.223 21.660 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -12.625 -38.267 21.241 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -5.232 -45.993 17.577 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -5.447 -46.759 18.109 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -4.576 -45.521 18.090 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -14.931 -36.857 22.344 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -14.937 -35.978 21.966 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -15.785 -36.940 22.769 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -4.885 -47.278 21.256 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -5.621 -46.667 21.218 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -4.201 -46.863 20.730 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -9.615 -40.354 13.222 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -10.327 -39.819 12.871 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -8.924 -40.298 12.562 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -9.561 -41.896 10.261 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -8.860 -41.874 10.912 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -9.259 -42.524 9.605 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -13.197 -36.086 18.738 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -13.292 -36.664 17.981 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -12.468 -36.457 19.234 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -13.317 -36.346 24.407 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.629 -35.564 24.863 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -13.967 -36.499 23.721 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -7.338 -40.982 11.859 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -6.759 -40.832 12.606 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -6.924 -40.511 11.136 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -10.554 -35.061 23.903 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.467 -34.235 24.378 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.418 -35.391 24.152 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -10.140 -31.289 13.709 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -10.215 -31.410 12.763 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -10.107 -30.339 13.828 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -7.038 -32.135 10.712 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -6.663 -32.879 10.241 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -7.034 -32.405 11.630 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -4.381 -43.142 25.507 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -4.788 -42.661 24.787 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -4.340 -44.047 25.200 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -6.624 -44.810 23.728 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -7.138 -44.936 24.525 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -6.779 -43.898 23.483 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -5.861 -39.949 9.489 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -5.819 -40.172 8.559 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -5.012 -39.551 9.679 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -8.989 -42.685 14.324 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -9.398 -41.870 14.032 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -8.269 -42.825 13.709 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.887 -42.510 25.812 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -10.450 -43.214 26.132 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.061 -42.630 26.279 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -7.985 -43.239 17.138 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -8.180 -42.634 16.423 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -7.803 -44.073 16.703 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -13.406 -45.628 9.260 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -13.837 -46.073 9.990 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -14.124 -45.256 8.748 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -11.943 -45.674 16.593 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -12.854 -45.617 16.882 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -11.438 -45.734 17.404 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -13.462 -44.045 13.076 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -12.530 -43.916 13.254 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -13.677 -43.375 12.427 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -7.538 -46.439 19.857 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -8.215 -46.308 20.521 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -8.024 -46.594 19.047 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -14.788 -42.850 10.643 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -15.330 -43.230 9.952 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -13.954 -42.656 10.214 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.623 -42.886 18.480 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -10.059 -43.433 17.933 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -10.771 -43.408 19.269 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -11.997 -44.498 20.894 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -12.832 -44.044 21.004 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -11.473 -44.222 21.646 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -11.453 -38.285 12.579 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -12.197 -38.792 12.256 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -11.587 -38.236 13.525 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -9.327 -36.826 11.604 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -9.622 -36.000 11.986 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -10.030 -37.446 11.800 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -12.303 -41.012 25.876 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -12.599 -41.178 24.981 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -11.372 -41.232 25.866 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -13.953 -35.472 15.753 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -13.426 -34.699 15.552 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -14.833 -35.247 15.451 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.526 -37.809 15.329 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -12.767 -36.884 15.371 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -13.266 -38.268 15.725 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -12.011 -33.660 21.644 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -11.648 -32.805 21.411 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -11.479 -33.952 22.385 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -13.842 -32.787 14.874 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -14.792 -32.682 14.926 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -13.491 -31.967 15.219 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -6.264 -36.632 10.419 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -5.911 -37.012 11.223 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -7.213 -36.725 10.505 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -5.398 -37.959 12.645 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -5.675 -38.687 13.201 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -4.471 -37.840 12.851 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -8.951 -46.035 22.111 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -8.253 -45.961 22.761 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -9.332 -46.899 22.266 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -10.498 -34.252 12.071 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -11.315 -33.755 12.124 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -9.969 -33.777 11.431 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -10.967 -44.655 14.043 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -10.155 -44.151 14.089 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -11.212 -44.800 14.957 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -10.431 -43.669 23.228 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -10.312 -43.095 23.985 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -9.776 -44.357 23.343 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.083 -47.574 14.981 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.430 -46.956 15.626 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.425 -47.073 14.500 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -13.160 -33.209 12.053 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -12.999 -32.409 11.552 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -13.357 -32.902 12.938 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -14.426 -46.511 11.669 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -14.509 -45.622 12.015 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -13.536 -46.776 11.900 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -4.227 -45.762 24.063 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -5.143 -45.499 23.975 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -3.891 -45.765 23.166 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -5.531 -33.840 9.238 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -5.248 -34.634 9.691 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -4.791 -33.607 8.677 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -12.262 -38.304 26.396 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -12.590 -38.033 25.538 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -12.110 -39.245 26.308 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -9.224 -36.883 8.831 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -9.492 -36.703 9.732 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -9.430 -37.809 8.700 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -12.356 -41.715 9.664 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -12.536 -41.869 8.736 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -11.405 -41.607 9.708 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -9.118 -39.594 27.035 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -8.165 -39.510 27.007 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -9.278 -40.305 27.654 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -11.804 -40.901 22.572 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -11.053 -41.057 21.999 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -12.143 -40.049 22.296 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -7.388 -43.086 27.600 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -7.196 -44.017 27.489 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -6.531 -42.661 27.590 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -11.316 -44.562 26.327 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -11.552 -44.782 27.229 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -12.099 -44.769 25.818 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -8.600 -45.435 25.403 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -9.548 -45.403 25.535 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -8.288 -46.060 26.057 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -3.808 -36.748 27.570 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -4.674 -36.853 27.964 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -3.432 -35.989 28.017 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -1.692 -49.036 27.499 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -1.342 -49.690 26.893 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -1.545 -48.199 27.059 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -2.172 -46.927 25.848 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -3.089 -46.656 25.812 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -2.049 -47.462 25.064 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -10.434 -32.712 25.343 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -10.249 -33.046 26.221 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -9.587 -32.403 25.021 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -8.089 -31.427 24.587 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -7.412 -32.059 24.347 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -7.767 -31.025 25.395 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -3.171 -48.837 23.667 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -3.984 -48.512 23.279 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -2.938 -49.597 23.134 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -10.165 -31.367 20.637 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -10.622 -30.838 19.983 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -10.002 -30.764 21.362 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -13.250 -33.052 18.845 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -13.037 -33.940 18.558 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -13.185 -33.086 19.800 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -9.741 -47.388 17.990 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -10.416 -48.017 18.245 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -9.177 -47.872 17.387 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -7.278 -48.797 17.274 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -7.202 -48.702 16.325 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -7.554 -49.705 17.403 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -16.717 -47.040 10.058 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -16.226 -47.670 9.530 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -16.094 -46.744 10.721 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -11.691 -46.747 12.515 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -11.513 -47.393 13.198 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -11.745 -45.913 12.982 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -9.813 -31.798 10.910 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -8.947 -31.432 10.732 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -10.060 -32.238 10.097 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -3.886 -33.484 25.740 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -4.668 -33.670 25.220 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -3.958 -32.555 25.957 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -9.561 -41.896 29.117 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -8.860 -41.874 29.768 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -9.259 -42.524 28.461 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -7.338 -40.982 30.715 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -6.759 -40.832 31.462 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -6.924 -40.511 29.992 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -2.450 -34.866 28.905 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -2.377 -33.927 29.075 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -1.545 -35.171 28.848 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -7.038 -32.135 29.568 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -6.663 -32.879 29.097 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -7.034 -32.405 30.486 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -5.861 -39.949 28.345 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -5.819 -40.172 27.415 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -5.012 -39.551 28.535 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -9.327 -36.826 30.460 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -9.622 -36.000 30.842 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -10.030 -37.446 30.656 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -1.952 -43.394 30.989 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -2.506 -43.790 30.317 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -1.851 -42.484 30.712 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -6.264 -36.632 29.275 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.911 -37.012 30.079 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -7.213 -36.725 29.361 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -1.760 -32.152 29.476 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -1.017 -31.566 29.336 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -2.455 -31.584 29.809 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -12.173 -35.520 27.722 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -11.934 -36.268 27.174 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -12.442 -35.908 28.554 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -10.135 -33.657 27.860 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -10.779 -34.288 28.182 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -9.373 -34.188 27.628 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -5.531 -33.840 28.094 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -5.248 -34.634 28.547 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -4.791 -33.607 27.533 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -9.224 -36.883 27.687 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -9.492 -36.703 28.588 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -9.430 -37.809 27.556 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -2.966 -39.360 27.965 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -3.239 -39.785 27.152 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -2.926 -38.429 27.748 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -2.507 -38.491 31.940 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -1.657 -38.070 32.068 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -2.502 -39.231 32.548 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -1.845 -40.537 30.155 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -2.366 -40.180 29.436 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -1.878 -39.862 30.833 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -3.496 -43.297 28.706 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -3.399 -42.630 28.026 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -3.636 -44.113 28.224 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -4.248 -45.889 27.823 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.638 -46.261 28.460 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -5.085 -46.311 28.019 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.136 -47.004 29.366 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -1.723 -47.725 28.890 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.454 -46.334 29.424 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -2.351 -27.453 -17.256 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -2.302 -26.843 -16.520 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -1.925 -26.992 -17.979 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -4.885 -28.422 -16.456 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -5.621 -27.811 -16.494 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -4.201 -28.007 -16.982 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -4.088 -18.460 -14.262 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -3.948 -19.051 -15.001 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -3.920 -17.587 -14.618 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -2.246 -22.120 -16.196 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -2.898 -21.425 -16.107 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -1.781 -21.910 -17.006 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.312 -23.114 -14.470 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -6.232 -22.351 -13.898 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -6.913 -22.835 -15.161 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -4.381 -24.286 -12.205 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -4.788 -23.805 -12.925 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -4.340 -25.191 -12.512 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.624 -25.954 -13.984 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -7.138 -26.080 -13.187 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.779 -25.042 -14.229 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -4.251 -11.911 -11.578 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -4.051 -11.487 -12.413 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -3.595 -11.568 -10.971 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.303 -20.296 -16.347 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -3.661 -19.839 -16.890 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -5.133 -20.183 -16.809 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -1.988 -18.738 -12.742 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -2.840 -18.500 -13.109 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -1.398 -18.755 -13.495 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.227 -26.906 -13.649 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.143 -26.643 -13.737 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -3.891 -26.909 -14.546 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -6.072 -21.441 -12.034 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.353 -20.732 -12.612 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -5.129 -21.514 -12.185 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -6.966 -27.945 -10.304 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -7.063 -28.897 -10.310 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -7.288 -27.676 -9.443 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -1.822 -13.249 -17.702 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -1.844 -13.064 -16.763 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -1.132 -12.680 -18.043 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -2.259 -13.682 -14.780 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -2.746 -14.417 -15.151 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -1.710 -14.075 -14.102 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.808 -17.892 -10.142 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.674 -17.997 -9.748 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -3.432 -17.133 -9.695 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.354 -18.797 -17.856 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -1.520 -19.175 -18.137 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.242 -17.854 -17.975 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -3.867 -15.919 -15.549 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -4.515 -15.594 -14.924 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -4.385 -16.359 -16.224 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -3.470 -21.091 -12.602 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -2.887 -21.825 -12.411 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -2.906 -20.319 -12.556 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.004 -24.897 -18.343 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -3.071 -24.685 -18.377 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -4.239 -24.795 -17.420 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.975 -24.160 -15.567 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.818 -23.892 -15.201 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.532 -23.338 -15.778 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -1.692 -30.180 -10.213 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -1.342 -30.834 -10.819 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -1.545 -29.343 -10.653 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -3.171 -29.981 -14.045 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -3.984 -29.656 -14.433 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -2.938 -30.741 -14.578 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -4.599 -30.425 -19.610 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -3.995 -29.877 -20.111 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -5.468 -30.105 -19.850 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -2.872 -29.286 -21.276 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -2.260 -29.800 -21.803 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -2.489 -28.408 -21.253 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -7.062 -30.701 -10.665 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -6.986 -31.127 -9.811 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -6.169 -30.687 -11.007 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -3.886 -14.628 -11.972 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -4.668 -14.814 -12.492 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -3.958 -13.699 -11.755 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -2.351 -27.453 1.600 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -2.302 -26.843 2.336 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -1.925 -26.992 0.877 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.185 -16.708 0.983 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -6.127 -16.650 1.144 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -4.909 -15.802 0.846 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -4.885 -28.422 2.400 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -5.621 -27.811 2.362 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -4.201 -28.007 1.874 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.088 -18.460 4.594 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -3.948 -19.051 3.855 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -3.920 -17.587 4.238 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -2.246 -22.120 2.660 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -2.898 -21.425 2.749 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -1.781 -21.910 1.850 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -6.312 -23.114 4.386 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.232 -22.351 4.958 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -6.913 -22.835 3.695 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -3.640 -30.376 -7.184 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -4.539 -30.237 -6.889 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.388 -29.545 -7.586 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -2.450 -16.010 -8.807 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -2.377 -15.071 -8.637 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -1.545 -16.315 -8.864 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -4.381 -24.286 6.651 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -4.788 -23.805 5.931 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -4.340 -25.191 6.344 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -6.624 -25.954 4.872 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -7.138 -26.080 5.669 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -6.779 -25.042 4.627 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -5.861 -21.093 -9.367 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -5.819 -21.316 -10.297 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -5.012 -20.695 -9.177 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -9.887 -23.654 6.956 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -10.450 -24.358 7.276 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -9.061 -23.774 7.423 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -4.251 -11.911 7.278 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -4.051 -11.487 6.443 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -3.595 -11.568 7.885 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -4.303 -20.296 2.509 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -3.661 -19.839 1.966 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -5.133 -20.183 2.047 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -1.952 -24.538 -6.723 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -2.506 -24.934 -7.395 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -1.851 -23.628 -7.000 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -1.988 -18.738 6.114 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -2.840 -18.500 5.747 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -1.398 -18.755 5.361 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -3.656 -15.752 -6.258 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -4.029 -16.578 -5.948 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.379 -15.935 -7.155 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -5.808 -14.153 4.958 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -6.410 -14.708 4.463 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -5.527 -13.486 4.332 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -5.398 -19.103 -6.211 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -5.675 -19.831 -5.655 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -4.471 -18.984 -6.005 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.227 -26.906 5.207 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -5.143 -26.643 5.119 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -3.891 -26.909 4.310 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -4.538 -13.899 0.925 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -4.694 -13.221 0.268 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -3.606 -13.827 1.128 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -7.650 -15.929 7.502 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -8.001 -16.785 7.745 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -6.924 -15.786 8.109 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -5.531 -14.984 -9.618 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -5.248 -15.778 -9.165 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.791 -14.751 -10.179 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -6.527 -19.532 4.923 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -5.782 -18.944 4.803 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -7.284 -18.950 4.986 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -9.118 -20.738 8.179 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -8.165 -20.654 8.151 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -9.278 -21.449 8.798 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -2.966 -20.504 -9.747 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.239 -20.929 -10.560 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -2.926 -19.573 -9.964 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -6.072 -21.441 6.822 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -6.353 -20.732 6.244 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -5.129 -21.514 6.671 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -11.316 -25.706 7.471 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -11.552 -25.926 8.373 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -12.099 -25.913 6.962 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -8.600 -26.579 6.547 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -9.548 -26.547 6.679 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -8.288 -27.204 7.201 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -6.966 -27.945 8.552 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -7.063 -28.897 8.546 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -7.288 -27.676 9.413 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -1.822 -13.249 1.154 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -1.844 -13.064 2.093 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -1.132 -12.680 0.813 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -3.808 -17.892 8.714 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -4.674 -17.997 9.108 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -3.432 -17.133 9.161 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -2.507 -19.635 -5.772 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -1.657 -19.214 -5.644 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -2.502 -20.375 -5.164 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -2.113 -21.582 -3.948 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -2.839 -22.061 -3.550 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -1.532 -21.376 -3.216 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -2.354 -18.797 1.000 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -1.520 -19.175 0.719 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -2.242 -17.854 0.881 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -3.867 -15.919 3.307 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -4.515 -15.594 3.932 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -4.385 -16.359 2.632 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -1.845 -21.681 -7.557 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -2.366 -21.324 -8.276 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -1.878 -21.006 -6.879 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -3.496 -24.441 -9.006 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -3.399 -23.774 -9.686 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -3.636 -25.257 -9.488 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -4.326 -23.061 -3.385 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -4.476 -24.006 -3.405 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -4.680 -22.780 -2.541 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -3.470 -21.091 6.254 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -2.887 -21.825 6.445 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -2.906 -20.319 6.300 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -4.248 -27.033 -9.889 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -3.638 -27.405 -9.252 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.085 -27.455 -9.693 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -4.004 -24.897 0.513 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -3.071 -24.685 0.479 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -4.239 -24.795 1.436 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -3.975 -24.160 3.289 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -4.818 -23.892 3.655 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -3.532 -23.338 3.078 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -4.002 -28.215 -4.874 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -3.820 -28.664 -4.049 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -4.602 -28.800 -5.338 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -2.136 -28.148 -8.346 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -1.723 -28.869 -8.822 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -1.454 -27.478 -8.288 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -5.233 -12.063 3.021 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -5.415 -11.147 2.810 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -5.057 -12.473 2.174 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -4.599 -30.425 -0.754 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -3.995 -29.877 -1.255 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -5.468 -30.105 -0.994 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -2.872 -29.286 -2.420 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -2.260 -29.800 -2.947 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -2.489 -28.408 -2.397 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -7.278 -29.941 -1.582 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -7.202 -29.846 -2.531 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -7.554 -30.849 -1.453 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -5.925 -29.915 -5.889 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -6.628 -29.301 -6.099 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -6.370 -30.753 -5.758 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -3.104 -13.379 -5.266 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -3.298 -14.127 -5.831 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -3.143 -12.621 -5.850 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -7.062 -30.701 8.191 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -6.986 -31.127 9.045 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -6.169 -30.687 7.849 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -3.886 -14.628 6.884 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -4.668 -14.814 6.364 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -3.958 -13.699 7.101 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -8.336 -20.742 15.770 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -8.247 -19.798 15.638 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -8.975 -21.017 15.112 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -9.403 -21.487 19.189 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -9.441 -22.133 19.894 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -9.726 -21.953 18.418 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -8.586 -13.443 17.703 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -7.966 -14.120 17.430 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.794 -13.661 18.611 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -11.014 -19.054 19.595 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -10.710 -19.740 19.001 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -10.292 -18.936 20.213 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -8.539 -18.141 14.813 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -8.835 -18.463 13.962 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -8.863 -17.241 14.855 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -11.882 -30.335 18.722 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -11.999 -31.284 18.668 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -12.737 -30.003 18.995 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -6.933 -14.927 16.464 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -6.508 -15.634 15.979 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -6.616 -14.126 16.047 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -9.615 -21.498 13.222 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -10.327 -20.963 12.871 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -8.924 -21.442 12.562 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -9.561 -23.040 10.261 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.860 -23.018 10.912 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -9.259 -23.668 9.605 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -7.888 -16.386 20.424 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -8.129 -15.724 21.072 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -8.086 -17.220 20.849 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -9.612 -15.389 15.294 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -9.138 -15.094 16.072 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -10.175 -14.651 15.061 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -1.533 -15.779 25.027 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -1.582 -16.734 24.990 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -2.359 -15.511 25.429 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -10.554 -16.205 23.903 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -10.467 -15.379 24.378 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -11.418 -16.535 24.152 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -10.140 -12.433 13.709 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -10.215 -12.554 12.763 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -10.107 -11.483 13.828 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -7.038 -13.279 10.712 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -6.663 -14.023 10.241 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -7.034 -13.549 11.630 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -7.369 -13.353 13.461 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.304 -13.253 13.640 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -7.089 -14.062 14.039 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -9.950 -29.710 22.874 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -9.530 -30.125 23.627 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -10.883 -29.888 22.991 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -6.624 -25.954 23.728 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -7.138 -26.080 24.525 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -6.779 -25.042 23.483 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -5.861 -21.093 9.489 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.819 -21.316 8.559 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -5.012 -20.695 9.679 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -10.288 -27.217 10.159 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -10.542 -27.198 11.082 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -10.545 -28.089 9.858 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -9.887 -23.654 25.812 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -10.450 -24.358 26.132 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -9.061 -23.774 26.279 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -8.721 -22.745 21.809 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -8.397 -23.376 21.166 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -9.161 -23.280 22.470 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -11.943 -26.818 16.593 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -12.854 -26.761 16.882 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -11.438 -26.878 17.404 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -13.462 -25.189 13.076 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -12.530 -25.060 13.254 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -13.677 -24.519 12.427 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -4.251 -11.911 26.134 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -4.051 -11.487 25.299 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -3.595 -11.568 26.741 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -10.623 -24.030 18.480 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -10.059 -24.577 17.933 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -10.771 -24.552 19.269 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -11.997 -25.642 20.894 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -12.832 -25.188 21.004 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -11.473 -25.366 21.646 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -11.453 -19.429 12.579 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -12.197 -19.936 12.256 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -11.587 -19.380 13.525 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.933 -19.245 23.816 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -10.279 -19.626 24.622 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -10.133 -18.311 23.887 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.327 -17.970 11.604 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.622 -17.144 11.986 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -10.030 -18.590 11.800 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -12.303 -22.156 25.876 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -12.599 -22.322 24.981 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -11.372 -22.376 25.866 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.683 -16.783 23.766 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.584 -16.600 23.498 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.649 -16.524 24.687 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.496 -20.944 19.620 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -7.424 -21.176 19.593 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.045 -21.721 19.290 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -12.526 -18.953 15.329 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -12.767 -18.028 15.371 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -13.266 -19.412 15.725 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.467 -18.705 21.345 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -8.893 -18.932 22.171 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -7.886 -19.443 21.162 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -5.808 -14.153 23.814 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -6.410 -14.708 23.319 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -5.527 -13.486 23.188 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -1.760 -13.296 10.620 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -1.017 -12.710 10.480 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -2.455 -12.728 10.953 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -8.951 -27.179 22.111 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -8.253 -27.105 22.761 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -9.332 -28.043 22.266 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -10.498 -15.396 12.071 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -11.315 -14.899 12.124 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -9.969 -14.921 11.431 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -10.967 -25.799 14.043 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -10.155 -25.295 14.089 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -11.212 -25.944 14.957 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -10.431 -24.813 23.228 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -10.312 -24.239 23.985 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -9.776 -25.501 23.343 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -10.083 -28.718 14.981 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -10.430 -28.100 15.626 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -9.425 -28.217 14.500 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -10.135 -14.801 9.004 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -10.779 -15.432 9.326 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -9.373 -15.332 8.772 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.650 -15.929 26.358 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -8.001 -16.785 26.601 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -6.924 -15.786 26.965 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -5.531 -14.984 9.238 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -5.248 -15.778 9.691 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -4.791 -14.751 8.677 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -12.262 -19.448 26.396 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -12.590 -19.177 25.538 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -12.110 -20.389 26.308 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -9.224 -18.027 8.831 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -9.492 -17.847 9.732 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -9.430 -18.953 8.700 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -12.356 -22.859 9.664 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -12.536 -23.013 8.736 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -11.405 -22.751 9.708 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -9.118 -20.738 27.035 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -8.165 -20.654 27.007 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -9.278 -21.449 27.654 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -2.966 -20.504 9.109 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -3.239 -20.929 8.296 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -2.926 -19.573 8.892 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -11.804 -22.045 22.572 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -11.053 -22.201 21.999 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -12.143 -21.193 22.296 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -7.388 -24.230 27.600 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -7.196 -25.161 27.489 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -6.531 -23.805 27.590 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -8.600 -26.579 25.403 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -9.548 -26.547 25.535 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -8.288 -27.204 26.057 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -6.966 -27.945 27.408 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -7.063 -28.897 27.402 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.288 -27.676 28.269 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -1.845 -21.681 11.299 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -2.366 -21.324 10.580 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -1.878 -21.006 11.977 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -1.692 -30.180 27.499 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -1.342 -30.834 26.893 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -1.545 -29.343 27.059 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -2.172 -28.071 25.848 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -3.089 -27.800 25.812 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -2.049 -28.606 25.064 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -8.089 -12.571 24.587 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -7.412 -13.203 24.347 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -7.767 -12.169 25.395 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -10.165 -12.511 20.637 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -10.622 -11.982 19.983 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -10.002 -11.908 21.362 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -7.838 -13.633 21.582 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -8.742 -13.468 21.316 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -7.409 -12.780 21.516 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -9.741 -28.532 17.990 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -10.416 -29.161 18.245 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -9.177 -29.016 17.387 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -12.835 -29.971 15.625 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -11.961 -29.583 15.595 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -12.971 -30.186 16.548 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -11.691 -27.891 12.515 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -11.513 -28.537 13.198 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -11.745 -27.057 12.982 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -9.813 -12.942 10.910 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -8.947 -12.576 10.732 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -10.060 -13.382 10.097 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -7.062 -30.701 27.047 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -6.986 -31.127 27.901 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -6.169 -30.687 26.705 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -3.886 -14.628 25.740 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -4.668 -14.814 25.220 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -3.958 -13.699 25.957 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -9.561 -23.040 29.117 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -8.860 -23.018 29.768 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -9.259 -23.668 28.461 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -7.338 -22.126 30.715 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -6.759 -21.976 31.462 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -6.924 -21.655 29.992 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -3.640 -30.376 30.528 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -4.539 -30.237 30.823 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -3.388 -29.545 30.126 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -2.450 -16.010 28.905 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.377 -15.071 29.075 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -1.545 -16.315 28.848 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -5.861 -21.093 28.345 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -5.819 -21.316 27.415 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -5.012 -20.695 28.535 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -9.327 -17.970 30.460 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -9.622 -17.144 30.842 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -10.030 -18.590 30.656 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -1.952 -24.538 30.989 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -2.506 -24.934 30.317 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -1.851 -23.628 30.712 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -6.264 -17.776 29.275 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -5.911 -18.156 30.079 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -7.213 -17.869 29.361 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -5.398 -19.103 31.501 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -5.675 -19.831 32.057 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.471 -18.984 31.707 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -5.531 -14.984 28.094 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -5.248 -15.778 28.547 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -4.791 -14.751 27.533 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -9.224 -18.027 27.687 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -9.492 -17.847 28.588 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -9.430 -18.953 27.556 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -2.507 -19.635 31.940 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -1.657 -19.214 32.068 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -2.502 -20.375 32.548 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.845 -21.681 30.155 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.366 -21.324 29.436 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -1.878 -21.006 30.833 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -3.496 -24.441 28.706 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -3.399 -23.774 28.026 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -3.636 -25.257 28.224 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -4.248 -27.033 27.823 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -3.638 -27.405 28.460 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -5.085 -27.455 28.019 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -2.136 -28.148 29.366 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -1.723 -28.869 28.890 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -1.454 -27.478 29.424 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -1.692 -11.324 -10.213 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -1.342 -11.978 -10.819 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -1.545 -10.487 -10.653 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -2.172 -9.215 -11.864 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -3.089 -8.944 -11.900 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -2.049 -9.750 -12.648 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -3.171 -11.125 -14.045 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -3.984 -10.800 -14.433 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -2.938 -11.885 -14.578 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -2.351 -8.597 1.600 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -2.302 -7.987 2.336 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -1.925 -8.136 0.877 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -1.959 -7.119 3.836 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -2.648 -6.461 3.741 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -1.944 -7.316 4.773 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -4.885 -9.566 2.400 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -5.621 -8.955 2.362 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -4.201 -9.151 1.874 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -3.640 -11.520 -7.184 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -4.539 -11.381 -6.889 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -3.388 -10.689 -7.586 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -4.227 -8.050 5.207 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -5.143 -7.787 5.119 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -3.891 -8.053 4.310 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -7.388 -5.374 8.744 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -7.196 -6.305 8.633 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -6.531 -4.949 8.734 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -6.966 -9.089 8.552 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -7.063 -10.041 8.546 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -7.288 -8.820 9.413 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -1.692 -11.324 8.643 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -1.342 -11.978 8.037 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -1.545 -10.487 8.203 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -2.172 -9.215 6.992 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -3.089 -8.944 6.956 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -2.049 -9.750 6.208 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -2.136 -9.292 -8.346 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -1.723 -10.013 -8.822 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -1.454 -8.622 -8.288 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -3.171 -11.125 4.811 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -3.984 -10.800 4.423 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -2.938 -11.885 4.278 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -2.872 -10.430 -2.420 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -2.260 -10.944 -2.947 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -2.489 -9.552 -2.397 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -8.336 -1.886 15.770 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -8.247 -0.942 15.638 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -8.975 -2.161 15.112 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -9.403 -2.631 19.189 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -9.441 -3.277 19.894 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -9.726 -3.097 18.418 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -14.718 -7.703 17.195 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -14.675 -6.843 16.777 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -15.176 -8.255 16.562 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -12.942 -3.756 17.173 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -12.326 -4.282 17.682 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -13.528 -4.396 16.769 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -1.959 -7.119 22.692 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -2.648 -6.461 22.597 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -1.944 -7.316 23.629 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -11.882 -11.479 18.722 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -11.999 -12.428 18.668 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -12.737 -11.147 18.995 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -9.615 -2.642 13.222 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -10.327 -2.107 12.871 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -8.924 -2.586 12.562 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -9.561 -4.184 10.261 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -8.860 -4.162 10.912 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -9.259 -4.812 9.605 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -2.246 -3.264 21.516 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -2.898 -2.569 21.605 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -1.781 -3.054 20.706 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -6.209 -2.432 14.174 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -6.941 -2.204 14.747 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -5.762 -3.146 14.629 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -6.312 -4.258 23.242 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -6.232 -3.495 23.814 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -6.913 -3.979 22.551 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -7.338 -3.270 11.859 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -6.759 -3.120 12.606 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -6.924 -2.799 11.136 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -3.640 -11.520 11.672 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -4.539 -11.381 11.967 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -3.388 -10.689 11.270 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -9.950 -10.854 22.874 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -9.530 -11.269 23.627 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -10.883 -11.032 22.991 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -6.624 -7.098 23.728 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -7.138 -7.224 24.525 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -6.779 -6.186 23.483 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -10.288 -8.361 10.159 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -10.542 -8.342 11.082 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -10.545 -9.233 9.858 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -8.989 -4.973 14.324 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -9.398 -4.158 14.032 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -8.269 -5.113 13.709 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -8.721 -3.889 21.809 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -8.397 -4.520 21.166 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -9.161 -4.424 22.470 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -11.943 -7.962 16.593 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -12.854 -7.905 16.882 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -11.438 -8.022 17.404 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -10.623 -5.174 18.480 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -10.059 -5.721 17.933 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -10.771 -5.696 19.269 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -11.997 -6.786 20.894 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -12.832 -6.332 21.004 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -11.473 -6.510 21.646 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -7.555 -7.759 10.778 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -8.493 -7.647 10.627 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -7.258 -6.902 11.084 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -1.952 -5.682 12.133 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -2.506 -6.078 11.461 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -1.851 -4.772 11.856 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -6.496 -2.088 19.620 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -7.424 -2.320 19.593 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -6.045 -2.865 19.290 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -5.398 -0.247 12.645 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -5.675 -0.975 13.201 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -4.471 -0.128 12.851 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -8.951 -8.323 22.111 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -8.253 -8.249 22.761 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -9.332 -9.187 22.266 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -10.967 -6.943 14.043 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -10.155 -6.439 14.089 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -11.212 -7.088 14.957 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -10.431 -5.957 23.228 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -10.312 -5.383 23.985 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -9.776 -6.645 23.343 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -10.083 -9.862 14.981 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -10.430 -9.244 15.626 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -9.425 -9.361 14.500 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -4.227 -8.050 24.063 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -5.143 -7.787 23.975 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -3.891 -8.053 23.166 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -5.625 -4.299 18.159 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -6.422 -4.714 17.830 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -5.180 -4.990 18.650 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -2.507 -0.779 13.084 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -1.657 -0.358 13.212 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -2.502 -1.519 13.692 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -2.113 -2.726 14.908 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -2.839 -3.205 15.306 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -1.532 -2.520 15.640 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -1.845 -2.825 11.299 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -2.366 -2.468 10.580 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -1.878 -2.150 11.977 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -3.496 -5.585 9.850 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -3.399 -4.918 9.170 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -3.636 -6.401 9.368 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -4.248 -8.177 8.967 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -3.638 -8.549 9.604 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -5.085 -8.599 9.163 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -3.975 -5.304 22.145 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -4.818 -5.036 22.511 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -3.532 -4.482 21.934 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -1.692 -11.324 27.499 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -1.342 -11.978 26.893 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -1.545 -10.487 27.059 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -2.172 -9.215 25.848 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -3.089 -8.944 25.812 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -2.049 -9.750 25.064 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -2.136 -9.292 10.510 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -1.723 -10.013 10.034 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -1.454 -8.622 10.568 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -3.171 -11.125 23.667 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.984 -10.800 23.279 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -2.938 -11.885 23.134 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -12.835 -11.115 15.625 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -11.961 -10.727 15.595 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -12.971 -11.330 16.548 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -11.691 -9.035 12.515 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -11.513 -9.681 13.198 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -11.745 -8.201 12.982 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -7.062 -11.845 27.047 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -6.986 -12.271 27.901 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -6.169 -11.831 26.705 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 2.745 -55.134 -18.395 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 2.375 -55.936 -18.764 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 3.686 -55.303 -18.348 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 10.270 -51.155 -20.009 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 10.890 -51.832 -20.282 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 10.062 -51.373 -19.101 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 3.925 -55.713 -15.368 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 3.919 -54.834 -15.746 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 3.071 -55.796 -14.943 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 13.671 -54.420 -17.873 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 12.729 -54.362 -17.712 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 13.947 -53.514 -18.010 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 14.768 -56.172 -14.262 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 14.908 -56.763 -15.001 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 14.936 -55.299 -14.618 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 5.659 -54.942 -18.974 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 5.564 -55.520 -19.731 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 6.388 -55.313 -18.478 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 10.968 -54.098 -17.288 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 10.727 -53.436 -16.640 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 10.770 -54.932 -16.863 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 5.539 -55.202 -13.305 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 5.227 -54.420 -12.849 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 4.889 -55.355 -13.991 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 3.778 -53.130 -12.541 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 3.786 -53.266 -13.489 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 2.862 -53.248 -12.289 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -0.625 -56.937 -15.251 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -1.126 -56.965 -16.066 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -0.619 -57.843 -14.941 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -0.874 -54.157 -18.367 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 0.072 -54.301 -18.386 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -0.987 -53.373 -17.830 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 17.323 -53.491 -12.685 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 17.274 -54.446 -12.722 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 16.497 -53.223 -12.283 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 2.370 -51.356 -22.222 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 2.522 -51.704 -21.343 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 1.519 -51.712 -22.477 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 1.624 -55.614 -14.208 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 1.841 -55.975 -13.348 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 0.769 -55.988 -14.418 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 2.203 -57.149 -11.970 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 2.936 -56.895 -11.409 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 1.423 -56.945 -11.455 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 8.923 -56.957 -13.896 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 8.577 -57.338 -13.090 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 8.723 -56.023 -13.825 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 4.903 -54.328 -21.959 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 5.430 -53.555 -22.160 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 4.023 -54.103 -22.261 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 6.845 -52.516 -16.068 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 7.208 -51.661 -16.301 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 7.377 -52.808 -15.327 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 5.014 -51.643 -22.838 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 4.064 -51.538 -22.786 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 5.365 -50.823 -22.493 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 10.389 -56.417 -16.367 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 9.963 -56.644 -15.541 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 10.970 -57.155 -16.550 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 14.318 -51.611 -17.931 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 14.162 -50.933 -18.588 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 15.250 -51.539 -17.728 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 0.032 -50.940 -11.703 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 0.572 -51.157 -10.944 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 -0.449 -51.746 -11.893 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 4.629 -52.021 -10.083 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 5.397 -52.480 -9.742 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 4.608 -52.247 -11.013 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 6.594 -57.160 -11.316 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 6.266 -56.889 -12.174 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 6.746 -58.101 -11.404 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 12.329 -57.244 -13.933 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 13.074 -56.656 -14.053 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.572 -56.662 -13.870 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 9.738 -58.450 -10.677 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 10.691 -58.366 -10.705 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 9.578 -59.161 -10.058 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 12.784 -59.153 -12.034 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 12.503 -58.444 -12.612 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 13.727 -59.226 -12.185 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 -1.385 -49.851 -22.487 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -2.032 -50.313 -23.020 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 -1.030 -50.523 -21.904 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 -0.515 -51.770 -20.682 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 -0.849 -52.651 -20.510 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 -0.293 -51.425 -19.818 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 17.034 -50.961 -17.702 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 17.012 -50.776 -16.763 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 17.724 -50.392 -18.043 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 16.597 -51.394 -14.780 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 16.110 -52.129 -15.151 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 17.146 -51.787 -14.102 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 15.048 -55.604 -10.142 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 14.182 -55.709 -9.748 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 15.424 -54.845 -9.695 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 14.989 -53.631 -15.549 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 14.341 -53.306 -14.924 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 14.471 -54.071 -16.224 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 1.157 -53.942 -11.587 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 0.336 -53.767 -12.047 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 0.905 -54.015 -10.666 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 8.691 -50.223 -17.075 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 8.234 -49.694 -17.729 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 8.854 -49.620 -16.350 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 11.018 -51.345 -16.130 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 10.114 -51.180 -16.396 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 11.447 -50.492 -16.196 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 13.623 -49.775 -15.835 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 13.441 -48.859 -16.046 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 13.799 -50.185 -16.682 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 3.069 -52.378 -19.715 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 2.850 -53.294 -19.546 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 3.893 -52.238 -19.249 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 5.606 -51.908 -18.867 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 5.819 -52.796 -19.154 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 5.671 -51.942 -17.912 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 1.821 -59.584 1.926 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 1.863 -60.210 2.650 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 2.524 -58.961 2.108 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 -0.645 -61.474 -4.146 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 -1.093 -60.628 -4.164 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 -1.206 -62.054 -4.661 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 0.065 -59.312 -2.020 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 0.279 -60.082 -1.493 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 0.803 -59.223 -2.623 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 10.983 -62.372 1.067 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 11.126 -63.319 1.087 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 10.877 -62.165 0.138 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 0.758 -61.874 -0.899 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 1.412 -62.424 -0.467 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 0.782 -62.148 -1.815 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 5.914 -60.324 -1.683 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 6.530 -60.850 -1.174 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 5.328 -60.964 -2.087 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 16.897 -63.687 3.836 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 16.208 -63.029 3.741 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 16.912 -63.884 4.773 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 5.517 -57.677 2.701 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 4.777 -57.079 2.804 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 6.231 -57.123 2.385 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 2.542 -63.461 0.366 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 3.155 -62.828 0.739 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 3.054 -63.933 -0.291 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 0.046 -56.042 -5.730 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 -0.226 -55.813 -6.619 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 0.091 -55.204 -5.270 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 9.241 -59.210 -5.634 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 8.529 -58.675 -5.985 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 9.932 -59.154 -6.294 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 4.659 -59.601 0.834 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 5.224 -59.480 0.071 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 4.978 -58.964 1.473 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 11.518 -59.838 -6.997 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 12.097 -59.688 -6.250 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 11.932 -59.367 -7.720 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 3.282 -59.300 -5.210 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 2.990 -58.532 -5.701 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 2.608 -59.960 -5.373 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 16.406 -53.722 -8.807 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 16.479 -52.783 -8.637 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 17.311 -54.027 -8.864 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 14.475 -61.998 6.651 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 14.068 -61.517 5.931 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 14.516 -62.903 6.344 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 12.232 -63.666 4.872 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 11.718 -63.792 5.669 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 12.077 -62.754 4.627 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 12.995 -58.805 -9.367 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 13.037 -59.028 -10.297 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 13.844 -58.407 -9.177 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 4.334 -62.178 1.739 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 3.692 -62.219 2.448 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 4.371 -61.252 1.501 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 4.331 -61.957 -3.349 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 3.438 -62.298 -3.408 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 4.782 -62.334 -4.105 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 9.867 -61.541 -4.532 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 9.458 -60.726 -4.824 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 10.587 -61.681 -5.147 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 8.969 -61.366 6.956 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 8.406 -62.070 7.276 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 9.795 -61.486 7.423 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 10.871 -62.095 -1.718 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 10.676 -61.490 -2.433 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 11.053 -62.929 -2.153 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 2.084 -61.858 3.606 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 2.046 -61.458 4.474 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 1.593 -62.675 3.696 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 1.741 -62.901 -3.436 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 0.852 -62.801 -3.776 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 2.037 -63.743 -3.782 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 11.318 -65.295 1.001 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 10.641 -65.164 1.665 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 10.832 -65.450 0.191 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 8.233 -61.742 -0.376 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 8.797 -62.289 -0.923 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 8.085 -62.264 0.413 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 6.859 -63.354 2.038 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 6.024 -62.900 2.148 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 7.383 -63.078 2.790 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 7.403 -57.141 -6.277 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 6.659 -57.648 -6.600 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 7.269 -57.092 -5.331 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 12.019 -62.460 -6.417 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 12.911 -62.597 -6.098 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 12.076 -61.669 -6.954 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 9.529 -55.682 -7.252 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 9.234 -54.856 -6.870 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 8.826 -56.302 -7.056 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 -0.464 -59.385 4.807 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 -0.241 -59.803 5.639 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 -1.066 -59.998 4.385 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 6.553 -59.868 7.020 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 6.257 -60.034 6.125 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 7.484 -60.088 7.010 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 15.200 -53.464 -6.258 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 14.827 -54.290 -5.948 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 15.477 -53.647 -7.155 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 12.592 -55.488 -8.437 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 12.945 -55.868 -7.633 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 11.643 -55.581 -8.351 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 17.096 -51.008 -8.236 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 17.839 -50.422 -8.376 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 16.401 -50.440 -7.903 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 6.683 -54.376 -9.990 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 6.922 -55.124 -10.538 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 6.414 -54.764 -9.158 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 5.620 -54.806 -7.534 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 5.767 -55.326 -6.744 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 5.617 -53.899 -7.228 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 2.073 -57.553 -7.024 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 1.387 -57.201 -6.457 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 2.596 -56.790 -7.270 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 9.905 -64.891 3.255 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 10.603 -64.817 3.905 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 9.524 -65.755 3.410 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 8.425 -62.525 4.372 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 8.544 -61.951 5.129 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 9.080 -63.213 4.487 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 14.629 -64.618 5.207 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 13.713 -64.355 5.119 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 14.965 -64.621 4.310 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 13.231 -60.867 -0.697 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 12.434 -61.282 -1.026 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 13.676 -61.558 -0.206 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 2.689 -54.939 -8.127 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 3.281 -54.240 -7.851 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 3.148 -55.372 -8.846 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 11.206 -53.641 7.502 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 10.855 -54.497 7.745 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 11.932 -53.498 8.109 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 -0.061 -57.130 8.107 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 0.083 -58.032 7.821 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 -0.834 -56.844 7.619 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 4.280 -56.786 -9.761 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 4.344 -57.580 -9.230 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 4.933 -56.905 -10.450 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 6.594 -57.160 7.540 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 6.266 -56.889 6.682 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 6.746 -58.101 7.452 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 9.632 -55.739 -10.025 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 9.364 -55.559 -9.124 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 9.426 -56.665 -10.156 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 0.771 -59.930 7.527 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 1.179 -60.787 7.406 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 0.511 -59.915 8.448 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 5.429 -58.814 -7.455 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 4.970 -59.298 -6.769 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 5.684 -59.482 -8.091 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 4.718 -60.921 4.901 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 4.100 -60.246 5.182 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 5.062 -60.600 4.068 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 9.738 -58.450 8.179 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 10.691 -58.366 8.151 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 9.578 -59.161 8.798 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 15.890 -58.216 -9.747 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 15.617 -58.641 -10.560 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 15.930 -57.285 -9.964 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 5.058 -63.566 5.984 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 5.208 -64.295 5.381 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 5.060 -62.789 5.425 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 11.468 -61.942 8.744 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 11.660 -62.873 8.633 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 12.325 -61.517 8.734 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 3.536 -62.368 7.895 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 2.769 -62.900 7.685 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 4.215 -62.678 7.296 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 7.540 -63.418 7.471 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 7.304 -63.638 8.373 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 6.757 -63.625 6.962 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 10.256 -64.291 6.547 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 9.308 -64.259 6.679 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 10.568 -64.916 7.201 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 -0.034 -55.244 -8.708 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 0.880 -55.165 -8.435 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 -0.027 -55.931 -9.375 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 16.349 -57.347 -5.772 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 17.199 -56.926 -5.644 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 16.354 -58.087 -5.164 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 16.743 -59.294 -3.948 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 16.017 -59.773 -3.550 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 17.324 -59.088 -3.216 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 17.011 -59.393 -7.557 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 16.490 -59.036 -8.276 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 16.978 -58.718 -6.879 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 14.530 -60.773 -3.385 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 14.380 -61.718 -3.405 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 14.176 -60.492 -2.541 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -0.435 -58.695 0.625 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -0.251 -58.777 -0.310 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 0.414 -58.819 1.049 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 16.883 -60.900 6.938 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 16.020 -61.279 6.773 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 17.487 -61.639 6.864 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 14.852 -62.609 0.513 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 15.785 -62.397 0.479 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 14.617 -62.507 1.436 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 14.881 -61.872 3.289 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 14.038 -61.604 3.655 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 15.324 -61.050 3.078 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 -0.837 -63.424 6.766 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 0.082 -63.546 7.002 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 -1.287 -64.174 7.155 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 -1.312 -62.113 0.726 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.820 -62.334 -0.064 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.950 -61.272 1.007 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 9.453 -59.199 19.189 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 9.415 -59.845 19.894 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 9.130 -59.665 18.418 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 13.159 -56.260 17.491 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 12.718 -56.980 17.941 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 13.146 -55.539 18.121 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 2.745 -55.134 19.317 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 2.375 -55.936 18.948 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 3.686 -55.303 19.364 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 0.065 -59.312 16.836 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 0.279 -60.082 17.363 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 0.803 -59.223 16.233 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 7.842 -56.766 19.595 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.146 -57.452 19.001 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 8.564 -56.648 20.213 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 10.317 -55.853 14.813 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 10.021 -56.175 13.962 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 9.993 -54.953 14.855 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 5.517 -57.677 21.557 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 4.777 -57.079 21.660 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 6.231 -57.123 21.241 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 3.925 -55.713 22.344 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 3.919 -54.834 21.966 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 3.071 -55.796 22.769 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 0.046 -56.042 13.126 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 -0.226 -55.813 12.237 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 0.091 -55.204 13.586 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 13.671 -54.420 19.839 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 12.729 -54.362 20.000 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 13.947 -53.514 19.702 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 11.923 -52.639 16.464 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 12.348 -53.346 15.979 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 12.240 -51.838 16.047 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 13.082 -54.738 14.973 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 12.825 -55.428 14.361 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 13.153 -55.181 15.818 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 14.768 -56.172 23.450 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 14.908 -56.763 22.711 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 14.936 -55.299 23.094 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 9.241 -59.210 13.222 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 8.529 -58.675 12.871 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 9.932 -59.154 12.562 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 9.295 -60.752 10.261 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 9.996 -60.730 10.912 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 9.597 -61.380 9.605 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 4.292 -58.370 16.057 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 3.962 -58.740 15.238 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 4.880 -59.040 16.403 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 5.659 -54.942 18.738 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 5.564 -55.520 17.981 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 6.388 -55.313 19.234 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 5.539 -55.202 24.407 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 5.227 -54.420 24.863 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 4.889 -55.355 23.721 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 11.518 -59.838 11.859 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 12.097 -59.688 12.606 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 11.932 -59.367 11.136 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 9.244 -53.101 15.294 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 9.718 -52.806 16.072 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 8.681 -52.363 15.061 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 3.778 -53.130 25.171 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 3.786 -53.266 24.223 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 2.862 -53.248 25.423 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 3.282 -59.300 13.646 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 2.990 -58.532 13.155 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 2.608 -59.960 13.483 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 -0.874 -54.157 19.345 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 0.072 -54.301 19.326 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 -0.987 -53.373 19.882 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 11.818 -50.991 10.712 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 12.193 -51.735 10.241 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 11.822 -51.261 11.630 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.487 -51.065 13.461 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.552 -50.965 13.640 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 11.767 -51.774 14.039 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 12.995 -58.805 9.489 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 13.037 -59.028 8.559 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 13.844 -58.407 9.679 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 4.068 -61.706 10.643 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 3.526 -62.086 9.952 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 4.902 -61.512 10.214 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 14.605 -49.623 26.134 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 14.805 -49.199 25.299 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 15.261 -49.280 26.741 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 7.403 -57.141 12.579 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 6.659 -57.648 12.256 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 7.269 -57.092 13.525 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 8.923 -56.957 23.816 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 8.577 -57.338 24.622 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 8.723 -56.023 23.887 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 2.528 -57.846 18.348 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 3.273 -57.848 17.747 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 2.606 -58.670 18.830 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 9.529 -55.682 11.604 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 9.234 -54.856 11.986 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 8.826 -56.302 11.800 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 11.173 -54.495 23.766 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 10.272 -54.312 23.498 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 11.207 -54.236 24.687 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 15.200 -53.464 12.598 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 14.827 -54.290 12.908 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 15.477 -53.647 11.701 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 12.360 -58.656 19.620 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 11.432 -58.888 19.593 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 12.811 -59.433 19.290 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 0.658 -59.466 10.340 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 1.274 -58.839 10.719 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 -0.204 -59.150 10.611 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 6.330 -56.665 15.329 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 6.089 -55.740 15.371 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 5.590 -57.124 15.725 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 10.389 -56.417 21.345 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 9.963 -56.644 22.171 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 10.970 -57.155 21.162 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 12.592 -55.488 10.419 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 12.945 -55.868 11.223 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 11.643 -55.581 10.505 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 13.048 -51.865 23.814 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 12.446 -52.420 23.319 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 13.329 -51.198 23.188 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 17.096 -51.008 10.620 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 17.839 -50.422 10.480 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 16.401 -50.440 10.953 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 13.458 -56.815 12.645 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 13.181 -57.543 13.201 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 14.385 -56.696 12.851 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 0.821 -52.827 21.656 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 1.038 -53.759 21.625 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 1.068 -52.553 22.540 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 14.318 -51.611 19.781 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 14.162 -50.933 19.124 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 15.250 -51.539 19.984 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 0.032 -50.940 26.009 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 0.572 -51.157 26.768 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 -0.449 -51.746 25.819 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 11.206 -53.641 26.358 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.855 -54.497 26.601 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 11.932 -53.498 26.965 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 9.632 -55.739 8.831 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 9.364 -55.559 9.732 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 9.426 -56.665 8.700 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 12.329 -57.244 23.779 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 13.074 -56.656 23.659 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 11.572 -56.662 23.842 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 5.429 -58.814 11.401 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 4.970 -59.298 12.087 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 5.684 -59.482 10.765 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 6.500 -60.571 9.664 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 6.320 -60.725 8.736 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 7.451 -60.463 9.708 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 17.034 -50.961 20.010 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 17.012 -50.776 20.949 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 17.724 -50.392 19.669 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 16.597 -51.394 22.932 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 16.110 -52.129 22.561 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 17.146 -51.787 23.610 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 16.349 -57.347 13.084 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 17.199 -56.926 13.212 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 16.354 -58.087 13.692 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 14.989 -53.631 22.163 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 14.341 -53.306 22.788 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 14.471 -54.071 21.488 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 17.011 -59.393 11.299 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 16.490 -59.036 10.580 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 16.978 -58.718 11.977 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 15.360 -62.153 9.850 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 15.457 -61.486 9.170 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 15.220 -62.969 9.368 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 -0.435 -58.695 19.481 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 -0.251 -58.777 18.546 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 0.414 -58.819 19.905 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 13.772 -50.871 15.582 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 14.425 -51.218 14.974 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 14.283 -50.382 16.228 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 4.111 -52.967 22.384 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 3.686 -52.158 22.101 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 5.016 -52.882 22.082 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 8.422 -51.568 25.343 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 8.607 -51.902 26.221 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 9.269 -51.259 25.021 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 13.623 -49.775 21.877 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 13.441 -48.859 21.666 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 13.799 -50.185 21.030 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 15.752 -51.091 13.590 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 15.558 -51.839 13.025 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 15.713 -50.333 13.006 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 14.970 -52.340 25.740 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 14.188 -52.526 25.220 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 14.898 -51.411 25.957 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 6.683 -54.376 27.722 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 6.922 -55.124 27.174 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 6.414 -54.764 28.554 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 8.721 -52.513 27.860 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 8.077 -53.144 28.182 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 9.483 -53.044 27.628 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 10.520 -39.598 -21.942 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 10.609 -38.654 -22.074 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 9.881 -39.873 -22.600 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 9.453 -40.343 -18.523 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 9.415 -40.989 -17.818 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 9.130 -40.809 -19.294 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 13.159 -37.404 -20.221 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 12.718 -38.124 -19.771 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 13.146 -36.683 -19.591 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 2.745 -36.278 -18.395 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 2.375 -37.080 -18.764 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 3.686 -36.447 -18.348 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 -0.645 -42.618 -23.002 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 -1.093 -41.772 -23.020 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 -1.206 -43.198 -23.517 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 0.065 -40.456 -20.876 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 0.279 -41.226 -20.349 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 0.803 -40.367 -21.479 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 10.270 -32.299 -20.009 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 10.890 -32.976 -20.282 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 10.062 -32.517 -19.101 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 7.842 -37.910 -18.117 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 8.146 -38.596 -18.711 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 8.564 -37.792 -17.499 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 16.505 -46.309 -17.256 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 16.554 -45.699 -16.520 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 16.931 -45.848 -17.979 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 10.983 -43.516 -17.789 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 11.126 -44.463 -17.769 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 10.877 -43.309 -18.718 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 4.138 -45.415 -20.517 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 4.181 -44.555 -20.935 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 3.680 -45.967 -21.150 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 5.914 -41.468 -20.539 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 6.530 -41.994 -20.030 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 5.328 -42.108 -20.943 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 16.897 -44.831 -15.020 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 16.208 -44.173 -15.115 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 16.912 -45.028 -14.083 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 10.317 -36.997 -22.899 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 10.021 -37.319 -23.750 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 9.993 -36.097 -22.857 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 13.671 -35.564 -17.873 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 12.729 -35.506 -17.712 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 13.947 -34.658 -18.010 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 13.971 -47.278 -16.456 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 13.235 -46.667 -16.494 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 14.655 -46.863 -16.982 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 6.974 -49.191 -18.990 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 6.857 -50.140 -19.044 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 6.119 -48.859 -18.717 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 11.923 -33.783 -21.248 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 12.348 -34.490 -21.733 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 12.240 -32.982 -21.665 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 13.082 -35.882 -22.739 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 12.825 -36.572 -23.351 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 13.153 -36.325 -21.894 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 14.768 -37.316 -14.262 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 14.908 -37.907 -15.001 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 14.936 -36.443 -14.618 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 16.610 -40.976 -16.196 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 15.958 -40.281 -16.107 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 17.075 -40.766 -17.006 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 12.544 -41.970 -14.470 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 12.624 -41.207 -13.898 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 11.943 -41.691 -15.161 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 4.292 -39.514 -21.655 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 3.962 -39.884 -22.474 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 4.880 -40.184 -21.309 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 5.659 -36.086 -18.974 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 5.564 -36.664 -19.731 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 6.388 -36.457 -18.478 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.244 -34.245 -22.418 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 9.718 -33.950 -21.640 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 8.681 -33.507 -22.651 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 3.282 -40.444 -24.066 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 2.990 -39.676 -24.557 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 2.608 -41.104 -24.229 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 17.323 -34.635 -12.685 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 17.274 -35.590 -12.722 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 16.497 -34.367 -12.283 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 2.370 -32.500 -22.222 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 2.522 -32.848 -21.343 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 1.519 -32.856 -22.477 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 8.906 -48.566 -14.838 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 9.326 -48.981 -14.085 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 7.973 -48.744 -14.721 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 12.232 -44.810 -13.984 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 11.718 -44.936 -13.187 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 12.077 -43.898 -14.229 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 4.331 -43.101 -22.205 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 3.438 -43.442 -22.264 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 4.782 -43.478 -22.961 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 -1.308 -45.886 -21.400 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 -0.677 -45.915 -20.680 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 -0.858 -46.311 -22.130 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 10.135 -41.601 -15.903 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 10.459 -42.232 -16.546 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 9.695 -42.136 -15.242 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.913 -45.674 -21.119 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.002 -45.617 -20.830 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 7.418 -45.734 -20.308 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 1.741 -44.045 -22.292 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 0.852 -43.945 -22.632 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 2.037 -44.887 -22.638 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 11.318 -46.439 -17.855 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 10.641 -46.308 -17.191 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 10.832 -46.594 -18.665 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 14.605 -30.767 -11.578 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 14.805 -30.343 -12.413 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 15.261 -30.424 -10.971 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 8.233 -42.886 -19.232 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 8.797 -43.433 -19.779 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 8.085 -43.408 -18.443 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 3.235 -46.750 -22.814 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 2.918 -47.652 -22.849 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 4.016 -46.748 -23.366 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 6.859 -44.498 -16.818 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 6.024 -44.044 -16.708 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 7.383 -44.222 -16.066 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 14.553 -39.152 -16.347 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 15.195 -38.695 -16.890 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 13.723 -39.039 -16.809 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 16.868 -37.594 -12.742 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 16.016 -37.356 -13.109 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 17.458 -37.611 -13.495 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 12.360 -39.800 -18.092 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.432 -40.032 -18.119 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 12.811 -40.577 -18.422 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 4.903 -35.472 -21.959 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 5.430 -34.699 -22.160 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 4.023 -35.247 -22.261 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 6.330 -37.809 -22.383 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 6.089 -36.884 -22.341 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 5.590 -38.268 -21.987 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 5.014 -32.787 -22.838 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 4.064 -32.682 -22.786 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 5.365 -31.967 -22.493 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 9.905 -46.035 -15.601 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 10.603 -45.961 -14.951 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 9.524 -46.899 -15.446 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 8.425 -43.669 -14.484 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 8.544 -43.095 -13.727 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 9.080 -44.357 -14.369 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 14.318 -32.755 -17.931 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 14.162 -32.077 -18.588 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 15.250 -32.683 -17.728 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 1.813 -48.637 -19.194 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 1.584 -48.578 -20.121 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 1.370 -49.429 -18.887 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 0.743 -34.697 -23.033 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 -0.089 -34.224 -23.006 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 1.289 -34.187 -23.632 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 7.052 -40.901 -15.140 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 7.803 -41.057 -15.713 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 6.713 -40.049 -15.416 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 -1.385 -30.995 -22.487 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 -2.032 -31.457 -23.020 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 -1.030 -31.667 -21.904 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 17.034 -32.105 -17.702 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 17.012 -31.920 -16.763 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 17.724 -31.536 -18.043 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 16.597 -32.538 -14.780 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 16.110 -33.273 -15.151 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 17.146 -32.931 -14.102 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 15.048 -36.748 -10.142 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 14.182 -36.853 -9.748 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 15.424 -35.989 -9.695 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 16.502 -37.653 -17.856 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 17.336 -38.031 -18.137 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 16.614 -36.710 -17.975 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 14.989 -34.775 -15.549 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 14.341 -34.450 -14.924 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 14.471 -35.215 -16.224 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 15.386 -39.947 -12.602 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 15.969 -40.681 -12.411 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 15.950 -39.175 -12.556 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 16.883 -42.044 -11.918 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 16.020 -42.423 -12.083 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 17.487 -42.783 -11.992 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 14.881 -43.016 -15.567 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 14.038 -42.748 -15.201 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 15.324 -42.194 -15.778 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 0.384 -46.256 -19.199 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 0.829 -47.048 -18.897 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 0.850 -45.540 -18.768 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 13.772 -32.015 -22.130 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 14.425 -32.362 -22.738 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 14.283 -31.526 -21.484 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 -1.035 -48.261 -15.731 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 -1.700 -48.507 -15.088 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 -1.478 -47.639 -16.308 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 13.623 -30.919 -15.835 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 13.441 -30.003 -16.046 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 13.799 -31.329 -16.682 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 9.115 -47.388 -19.722 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 8.440 -48.017 -19.467 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 9.679 -47.872 -20.325 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 1.441 -48.754 -21.900 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 0.664 -48.988 -22.408 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 1.972 -49.551 -21.892 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 6.021 -48.827 -22.087 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 6.895 -48.439 -22.117 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 5.885 -49.042 -21.164 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 0.179 -33.008 -25.199 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 -0.506 -33.046 -25.867 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 0.182 -32.095 -24.911 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 14.970 -33.484 -11.972 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 14.188 -33.670 -12.492 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 14.898 -32.555 -11.755 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 16.406 -34.866 -8.807 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 16.479 -33.927 -8.637 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 17.311 -35.171 -8.864 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 12.592 -36.632 -8.437 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 12.945 -37.012 -7.633 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 11.643 -36.725 -8.351 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 17.096 -32.152 -8.236 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 17.839 -31.566 -8.376 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 16.401 -31.584 -7.903 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 17.011 -40.537 -7.557 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 16.490 -40.180 -8.276 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 16.978 -39.862 -6.879 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 17.164 -49.036 8.643 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 17.514 -49.690 8.037 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 17.311 -48.199 8.203 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 16.505 -46.309 20.456 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 16.554 -45.699 21.192 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 16.931 -45.848 19.733 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 16.897 -44.831 22.692 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 16.208 -44.173 22.597 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 16.912 -45.028 23.629 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 13.624 -45.993 17.577 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 13.409 -46.759 18.109 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 14.280 -45.521 18.090 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 13.971 -47.278 21.256 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 13.235 -46.667 21.218 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 14.655 -46.863 20.730 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 16.610 -40.976 21.516 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 15.958 -40.281 21.605 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 17.075 -40.766 20.706 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 12.544 -41.970 23.242 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 12.624 -41.207 23.814 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 11.943 -41.691 22.551 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.216 -49.232 11.672 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 14.317 -49.093 11.967 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 15.468 -48.401 11.270 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 17.323 -34.635 25.027 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 17.274 -35.590 24.990 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 16.497 -34.367 25.429 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 14.475 -43.142 25.507 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 14.068 -42.661 24.787 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 14.516 -44.047 25.200 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 12.232 -44.810 23.728 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 11.718 -44.936 24.525 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 12.077 -43.898 23.483 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 8.969 -42.510 25.812 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 8.406 -43.214 26.132 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 9.795 -42.630 26.279 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 16.868 -37.594 24.970 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 16.016 -37.356 24.603 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 17.458 -37.611 24.217 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 14.629 -45.762 24.063 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 13.713 -45.499 23.975 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 14.965 -45.765 23.166 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 0.032 -32.084 26.009 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 0.572 -32.301 26.768 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 -0.449 -32.890 25.819 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 4.629 -33.165 27.629 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 5.397 -33.624 27.970 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 4.608 -33.391 26.699 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 11.206 -34.785 26.358 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 10.855 -35.641 26.601 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 11.932 -34.642 26.965 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 6.594 -38.304 26.396 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 6.266 -38.033 25.538 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 6.746 -39.245 26.308 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 9.738 -39.594 27.035 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 10.691 -39.510 27.007 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 9.578 -40.305 27.654 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 11.468 -43.086 27.600 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 11.660 -44.017 27.489 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 12.325 -42.661 27.590 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 12.784 -40.297 25.678 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 12.503 -39.588 25.100 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 13.727 -40.370 25.527 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 3.536 -43.512 26.751 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 2.769 -44.044 26.541 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 4.215 -43.822 26.152 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 7.540 -44.562 26.327 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 7.304 -44.782 27.229 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 6.757 -44.769 25.818 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 10.256 -45.435 25.403 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 9.308 -45.403 25.535 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 10.568 -46.060 26.057 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 11.890 -46.801 27.408 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 11.793 -47.753 27.402 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 11.568 -46.532 28.269 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 1.717 -45.591 26.456 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 1.928 -46.298 25.845 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 1.605 -46.029 27.300 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 6.498 -49.590 25.435 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 7.210 -50.230 25.421 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 6.397 -49.323 24.521 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 6.851 -47.907 27.489 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 6.720 -48.383 26.668 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 6.252 -47.163 27.433 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 15.048 -36.748 27.570 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 14.182 -36.853 27.964 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 15.424 -35.989 28.017 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 15.386 -39.947 25.110 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 15.969 -40.681 25.301 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 15.950 -39.175 25.156 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 16.883 -42.044 25.794 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 16.020 -42.423 25.629 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 17.487 -42.783 25.720 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 14.881 -43.016 22.145 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 14.038 -42.748 22.511 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 15.324 -42.194 21.934 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 14.854 -47.071 13.982 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 15.036 -47.520 14.807 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 14.254 -47.656 13.518 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 -1.035 -48.261 21.981 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 -1.700 -48.507 22.624 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 -1.478 -47.639 21.404 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 8.422 -32.712 25.343 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 8.607 -33.046 26.221 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 9.269 -32.403 25.021 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 10.767 -31.427 24.587 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 11.444 -32.059 24.347 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 11.089 -31.025 25.395 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 15.685 -48.837 23.667 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 14.872 -48.512 23.279 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 15.918 -49.597 23.134 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 14.257 -49.281 18.102 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 14.861 -48.733 17.601 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 13.388 -48.961 17.862 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 15.984 -48.142 16.436 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 16.596 -48.656 15.909 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 16.367 -47.264 16.459 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 12.931 -48.771 12.967 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 12.228 -48.157 12.757 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 12.486 -49.609 13.098 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 1.399 -48.240 25.329 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 1.033 -49.005 25.772 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 2.312 -48.211 25.616 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 3.372 -48.889 26.865 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 4.271 -49.163 26.680 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 2.986 -49.632 27.329 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 11.794 -49.557 27.047 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 11.870 -49.983 27.901 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 12.687 -49.543 26.705 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 0.046 -37.186 31.982 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 -0.226 -36.957 31.093 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 0.091 -36.348 32.442 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 9.295 -41.896 29.117 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 9.996 -41.874 29.768 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 9.597 -42.524 28.461 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 16.406 -34.866 28.905 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 16.479 -33.927 29.075 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 17.311 -35.171 28.848 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 11.818 -32.135 29.568 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 12.193 -32.879 29.097 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 11.822 -32.405 30.486 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 12.995 -39.949 28.345 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 13.037 -40.172 27.415 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 13.844 -39.551 28.535 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 5.450 -45.628 28.116 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 5.019 -46.073 28.846 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 4.732 -45.256 27.604 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 -0.033 -45.140 30.592 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 0.441 -44.549 30.007 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 -0.751 -44.609 30.939 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 4.068 -42.850 29.499 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 3.526 -43.230 28.808 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 4.902 -42.656 29.070 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 0.658 -40.610 29.196 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 1.274 -39.983 29.575 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -0.204 -40.294 29.467 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 12.592 -36.632 29.275 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 12.945 -37.012 30.079 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 11.643 -36.725 29.361 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 17.096 -32.152 29.476 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 17.839 -31.566 29.336 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 16.401 -31.584 29.809 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 6.683 -35.520 27.722 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 6.922 -36.268 27.174 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 6.414 -35.908 28.554 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 5.620 -35.950 30.178 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 5.767 -36.470 30.968 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 5.617 -35.043 30.484 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 2.073 -38.697 30.688 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 1.387 -38.345 31.255 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 2.596 -37.934 30.442 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 2.689 -36.083 29.585 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 3.281 -35.384 29.861 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 3.148 -36.516 28.866 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 1.005 -43.419 28.701 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 0.960 -42.480 28.880 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 0.117 -43.655 28.431 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 8.721 -33.657 27.860 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 8.077 -34.288 28.182 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 9.483 -34.188 27.628 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 13.325 -33.840 28.094 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 13.608 -34.634 28.547 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 14.065 -33.607 27.533 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 4.280 -37.930 27.951 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 4.344 -38.724 28.482 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 4.933 -38.049 27.262 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 9.632 -36.883 27.687 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 9.364 -36.703 28.588 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 9.426 -37.809 27.556 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 5.429 -39.958 30.257 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 4.970 -40.442 30.943 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 5.684 -40.626 29.621 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 6.500 -41.715 28.520 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.320 -41.869 27.592 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 7.451 -41.607 28.564 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 15.890 -39.360 27.965 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 15.617 -39.785 27.152 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 15.930 -38.429 27.748 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 -0.034 -36.388 29.004 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 0.880 -36.309 29.277 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 -0.027 -37.075 28.337 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 2.139 -47.040 28.914 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 2.630 -47.670 28.386 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 2.762 -46.744 29.577 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 1.997 -32.088 28.394 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 1.729 -31.801 29.267 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 2.768 -32.634 28.546 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 9.453 -21.487 -18.523 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 9.415 -22.133 -17.818 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 9.130 -21.953 -19.294 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 2.745 -17.422 -18.395 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 2.375 -18.224 -18.764 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 3.686 -17.591 -18.348 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 0.065 -21.600 -20.876 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 0.279 -22.370 -20.349 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 0.803 -21.511 -21.479 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 7.842 -19.054 -18.117 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 8.146 -19.740 -18.711 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 8.564 -18.936 -17.499 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 10.983 -24.660 -17.789 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 11.126 -25.607 -17.769 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 10.877 -24.453 -18.718 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 4.138 -26.559 -20.517 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 4.181 -25.699 -20.935 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 3.680 -27.111 -21.150 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 0.758 -24.162 -19.755 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 1.412 -24.712 -19.323 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 0.782 -24.436 -20.671 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 5.914 -22.612 -20.539 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 6.530 -23.138 -20.030 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 5.328 -23.252 -20.943 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 2.542 -25.749 -18.490 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 3.155 -25.116 -18.117 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 3.054 -26.221 -19.147 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 13.971 -28.422 -16.456 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 13.235 -27.811 -16.494 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.655 -28.007 -16.982 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 6.974 -30.335 -18.990 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 6.857 -31.284 -19.044 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 6.119 -30.003 -18.717 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 12.544 -23.114 -14.470 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 12.624 -22.351 -13.898 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 11.943 -22.835 -15.161 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 4.292 -20.658 -21.655 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 3.962 -21.028 -22.474 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 4.880 -21.328 -21.309 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 5.659 -17.230 -18.974 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 5.564 -17.808 -19.731 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.388 -17.601 -18.478 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 4.659 -21.889 -18.022 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 5.224 -21.768 -18.785 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 4.978 -21.252 -17.383 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 10.968 -16.386 -17.288 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 10.727 -15.724 -16.640 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 10.770 -17.220 -16.863 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 -0.625 -19.225 -15.251 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 -1.126 -19.253 -16.066 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 -0.619 -20.131 -14.941 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 -0.874 -16.445 -18.367 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 0.072 -16.589 -18.386 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 -0.987 -15.661 -17.830 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 8.302 -16.205 -13.809 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 8.389 -15.379 -13.334 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.438 -16.535 -13.560 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 14.475 -24.286 -12.205 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 14.068 -23.805 -12.925 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 14.516 -25.191 -12.512 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 4.331 -24.245 -22.205 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.438 -24.586 -22.264 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 4.782 -24.622 -22.961 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 10.871 -24.383 -20.574 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 10.676 -23.778 -21.289 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 11.053 -25.217 -21.009 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 -1.308 -27.030 -21.400 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 -0.677 -27.059 -20.680 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 -0.858 -27.455 -22.130 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 10.135 -22.745 -15.903 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 10.459 -23.376 -16.546 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 9.695 -23.280 -15.242 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 6.913 -26.818 -21.119 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 6.002 -26.761 -20.830 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 7.418 -26.878 -20.308 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 1.741 -25.189 -22.292 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 0.852 -25.089 -22.632 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 2.037 -26.031 -22.638 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 11.318 -27.583 -17.855 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.641 -27.452 -17.191 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 10.832 -27.738 -18.665 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 8.233 -24.030 -19.232 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 8.797 -24.577 -19.779 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 8.085 -24.552 -18.443 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 3.235 -27.894 -22.814 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 2.918 -28.796 -22.849 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 4.016 -27.892 -23.366 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 8.923 -19.245 -13.896 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 8.577 -19.626 -13.090 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 8.723 -18.311 -13.825 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 2.528 -20.134 -19.364 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 3.273 -20.136 -19.965 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 2.606 -20.958 -18.882 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 11.173 -16.783 -13.946 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 10.272 -16.600 -14.214 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 11.207 -16.524 -13.025 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 12.360 -20.944 -18.092 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 11.432 -21.176 -18.119 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 12.811 -21.721 -18.422 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 4.903 -16.616 -21.959 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 5.430 -15.843 -22.160 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 4.023 -16.391 -22.261 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 6.845 -14.804 -16.068 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 7.208 -13.949 -16.301 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 7.377 -15.096 -15.327 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 10.389 -18.705 -16.367 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 9.963 -18.932 -15.541 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 10.970 -19.443 -16.550 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 0.821 -15.115 -16.056 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 1.038 -16.047 -16.087 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 1.068 -14.841 -15.172 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 8.773 -28.718 -22.731 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 8.426 -28.100 -22.086 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 9.431 -28.217 -23.212 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 14.629 -26.906 -13.649 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 13.713 -26.643 -13.737 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 14.965 -26.909 -14.546 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 11.206 -15.929 -11.354 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 10.855 -16.785 -11.111 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 11.932 -15.786 -10.747 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 12.329 -19.532 -13.933 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 13.074 -18.944 -14.053 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 11.572 -18.950 -13.870 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 12.784 -21.441 -12.034 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 12.503 -20.732 -12.612 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 13.727 -21.514 -12.185 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 -0.435 -20.983 -18.231 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 -0.251 -21.065 -19.166 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 0.414 -21.107 -17.807 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 15.386 -21.091 -12.602 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 15.969 -21.825 -12.411 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 15.950 -20.319 -12.556 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 14.881 -24.160 -15.567 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 14.038 -23.892 -15.201 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 15.324 -23.338 -15.778 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 17.164 -30.180 -10.213 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 17.514 -30.834 -10.819 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 17.311 -29.343 -10.653 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 0.384 -27.400 -19.199 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 0.829 -28.192 -18.897 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 0.850 -26.684 -18.768 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 -1.312 -24.401 -18.130 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 -0.820 -24.622 -18.920 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 -0.950 -23.560 -17.849 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 16.684 -28.071 -11.864 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 15.767 -27.800 -11.900 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 16.807 -28.606 -12.648 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 -0.999 -28.143 -24.075 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 -1.924 -27.934 -24.205 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 -0.545 -27.659 -24.765 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 10.767 -12.571 -13.125 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 11.444 -13.203 -13.365 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 11.089 -12.169 -12.317 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 15.685 -29.981 -14.045 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 14.872 -29.656 -14.433 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 15.918 -30.741 -14.578 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 1.513 -11.999 -15.281 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 0.793 -11.559 -15.732 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 1.147 -12.250 -14.432 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 3.980 -12.399 -16.251 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 3.115 -12.327 -15.847 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 3.925 -11.852 -17.035 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 8.691 -12.511 -17.075 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 8.234 -11.982 -17.729 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 8.854 -11.908 -16.350 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 0.928 -13.376 -18.370 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 0.909 -13.801 -17.513 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 1.733 -13.694 -18.779 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 3.069 -14.666 -19.715 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 2.850 -15.582 -19.546 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 3.893 -14.526 -19.249 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 5.606 -14.196 -18.867 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 5.819 -15.084 -19.154 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 5.671 -14.230 -17.912 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 9.115 -28.532 -19.722 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 8.440 -29.161 -19.467 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 9.679 -29.016 -20.325 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 14.257 -30.425 -19.610 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 14.861 -29.877 -20.111 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 13.388 -30.105 -19.850 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 1.441 -29.898 -21.900 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 0.664 -30.132 -22.408 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 1.972 -30.695 -21.892 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 6.021 -29.971 -22.087 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 6.895 -29.583 -22.117 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 5.885 -30.186 -21.164 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 11.578 -29.941 -20.438 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 11.654 -29.846 -21.387 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 11.302 -30.849 -20.309 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 10.520 -20.742 -3.086 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 10.609 -19.798 -3.218 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 9.881 -21.017 -3.744 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 13.159 -18.548 -1.365 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 12.718 -19.268 -0.915 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 13.146 -17.827 -0.735 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 -0.645 -23.762 -4.146 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 -1.093 -22.916 -4.164 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 -1.206 -24.342 -4.661 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 10.270 -13.443 -1.153 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 10.890 -14.120 -1.426 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 10.062 -13.661 -0.245 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 4.138 -26.559 -1.661 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 4.181 -25.699 -2.079 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 3.680 -27.111 -2.294 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 0.758 -24.162 -0.899 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 1.412 -24.712 -0.467 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 0.782 -24.436 -1.815 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 5.914 -22.612 -1.683 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 6.530 -23.138 -1.174 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 5.328 -23.252 -2.087 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 10.317 -18.141 -4.043 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 10.021 -18.463 -4.894 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 9.993 -17.241 -4.001 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 2.542 -25.749 0.366 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 3.155 -25.116 0.739 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 3.054 -26.221 -0.291 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 13.671 -16.708 0.983 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 12.729 -16.650 1.144 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 13.947 -15.802 0.846 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 11.923 -14.927 -2.392 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 12.348 -15.634 -2.877 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 12.240 -14.126 -2.809 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 13.082 -17.026 -3.883 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 12.825 -17.716 -4.495 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 13.153 -17.469 -3.038 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 14.768 -18.460 4.594 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 14.908 -19.051 3.855 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 14.936 -17.587 4.238 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 9.241 -21.498 -5.634 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 8.529 -20.963 -5.985 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 9.932 -21.442 -6.294 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 12.647 -21.288 -4.682 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 11.915 -21.060 -4.109 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 13.094 -22.002 -4.227 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 10.968 -16.386 1.568 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 10.727 -15.724 2.216 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 10.770 -17.220 1.993 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 11.518 -22.126 -6.997 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 12.097 -21.976 -6.250 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 11.932 -21.655 -7.720 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 9.244 -15.389 -3.562 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 9.718 -15.094 -2.784 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 8.681 -14.651 -3.795 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -0.625 -19.225 3.605 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -1.126 -19.253 2.790 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -0.619 -20.131 3.915 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 -0.874 -16.445 0.489 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 0.072 -16.589 0.470 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 -0.987 -15.661 1.026 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 17.323 -15.779 6.171 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 17.274 -16.734 6.134 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 16.497 -15.511 6.573 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 11.818 -13.279 -8.144 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 12.193 -14.023 -8.615 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 11.822 -13.549 -7.226 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 11.487 -13.353 -5.395 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 10.552 -13.253 -5.216 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 11.767 -14.062 -4.817 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 12.995 -21.093 -9.367 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 13.037 -21.316 -10.297 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 13.844 -20.695 -9.177 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 4.331 -24.245 -3.349 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 3.438 -24.586 -3.408 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 4.782 -24.622 -4.105 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -1.308 -27.030 -2.544 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -0.677 -27.059 -1.824 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -0.858 -27.455 -3.274 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 -0.033 -26.284 -7.120 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 0.441 -25.693 -7.705 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 -0.751 -25.753 -6.773 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 6.913 -26.818 -2.263 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 6.002 -26.761 -1.974 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 7.418 -26.878 -1.452 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 1.741 -25.189 -3.436 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 0.852 -25.089 -3.776 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 2.037 -26.031 -3.782 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 14.605 -11.911 7.278 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 14.805 -11.487 6.443 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 15.261 -11.568 7.885 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 3.235 -27.894 -3.958 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 2.918 -28.796 -3.993 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 4.016 -27.892 -4.510 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 7.403 -19.429 -6.277 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 6.659 -19.936 -6.600 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 7.269 -19.380 -5.331 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 9.529 -17.970 -7.252 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 9.234 -17.144 -6.870 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 8.826 -18.590 -7.056 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 16.904 -24.538 -6.723 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 16.350 -24.934 -7.395 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 17.005 -23.628 -7.000 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 16.868 -18.738 6.114 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 16.016 -18.500 5.747 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 17.458 -18.755 5.361 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 12.592 -17.776 -8.437 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 12.945 -18.156 -7.633 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 11.643 -17.869 -8.351 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 13.048 -14.153 4.958 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 12.446 -14.708 4.463 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 13.329 -13.486 4.332 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 13.458 -19.103 -6.211 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 13.181 -19.831 -5.655 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 14.385 -18.984 -6.005 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 14.318 -13.899 0.925 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 14.162 -13.221 0.268 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 15.250 -13.827 1.128 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 13.325 -14.984 -9.618 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 13.608 -15.778 -9.165 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 14.065 -14.751 -10.179 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 9.632 -18.027 -10.025 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 9.364 -17.847 -9.124 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 9.426 -18.953 -10.156 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 11.468 -24.230 8.744 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 11.660 -25.161 8.633 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 12.325 -23.805 8.734 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 -1.385 -12.139 -3.631 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 -2.032 -12.601 -4.164 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 -1.030 -12.811 -3.048 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 15.048 -17.892 8.714 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 14.182 -17.997 9.108 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 15.424 -17.133 9.161 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 16.349 -19.635 -5.772 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 17.199 -19.214 -5.644 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 16.354 -20.375 -5.164 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 16.743 -21.582 -3.948 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 16.017 -22.061 -3.550 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 17.324 -21.376 -3.216 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 14.989 -15.919 3.307 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 14.341 -15.594 3.932 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 14.471 -16.359 2.632 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 15.360 -24.441 -9.006 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 15.457 -23.774 -9.686 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 15.220 -25.257 -9.488 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 14.608 -27.033 -9.889 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 15.218 -27.405 -9.252 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 13.771 -27.455 -9.693 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 14.240 -25.478 -4.923 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 14.520 -26.385 -4.798 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 14.999 -25.044 -5.312 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 0.384 -27.400 -0.343 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 0.829 -28.192 -0.041 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 0.850 -26.684 0.088 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 -1.312 -24.401 0.726 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 -0.820 -24.622 -0.064 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 -0.950 -23.560 1.007 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 16.720 -28.148 -8.346 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 17.133 -28.869 -8.822 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 17.402 -27.478 -8.288 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 -0.999 -28.143 -5.219 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 -1.924 -27.934 -5.349 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -0.545 -27.659 -5.909 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 11.018 -13.633 2.726 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 10.114 -13.468 2.460 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 11.447 -12.780 2.660 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 13.623 -12.063 3.021 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 13.441 -11.147 2.810 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 13.799 -12.473 2.174 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 1.441 -29.898 -3.044 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 0.664 -30.132 -3.552 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 1.972 -30.695 -3.036 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.278 -30.100 -7.241 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 0.717 -29.489 -7.832 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 -0.356 -29.562 -6.767 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 14.970 -14.628 6.884 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 14.188 -14.814 6.364 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 14.898 -13.699 7.101 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 13.159 -18.548 17.491 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 12.718 -19.268 17.941 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 13.146 -17.827 18.121 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 16.505 -27.453 20.456 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 16.554 -26.843 21.192 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 16.931 -26.992 19.733 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 16.897 -25.975 22.692 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 16.208 -25.317 22.597 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 16.912 -26.172 23.629 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 10.317 -18.141 14.813 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 10.021 -18.463 13.962 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 9.993 -17.241 14.855 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 13.082 -17.026 14.973 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 12.825 -17.716 14.361 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 13.153 -17.469 15.818 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 9.295 -23.040 10.261 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 9.996 -23.018 10.912 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 9.597 -23.668 9.605 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 12.544 -23.114 23.242 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 12.624 -22.351 23.814 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 11.943 -22.835 22.551 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.968 -16.386 20.424 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 10.727 -15.724 21.072 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 10.770 -17.220 20.849 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 5.539 -17.490 24.407 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 5.227 -16.708 24.863 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 4.889 -17.643 23.721 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 9.244 -15.389 15.294 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 9.718 -15.094 16.072 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 8.681 -14.651 15.061 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 3.778 -15.418 25.171 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 3.786 -15.554 24.223 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 2.862 -15.536 25.423 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 16.406 -16.010 10.049 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 16.479 -15.071 10.219 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 17.311 -16.315 9.992 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 8.302 -16.205 23.903 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 8.389 -15.379 24.378 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 7.438 -16.535 24.152 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 8.716 -12.433 13.709 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 8.641 -12.554 12.763 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 8.749 -11.483 13.828 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 11.818 -13.279 10.712 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 12.193 -14.023 10.241 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 11.822 -13.549 11.630 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 11.487 -13.353 13.461 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 10.552 -13.253 13.640 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 11.767 -14.062 14.039 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 14.475 -24.286 25.507 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 14.068 -23.805 24.787 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 14.516 -25.191 25.200 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 1.624 -17.902 23.504 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 1.841 -18.263 24.364 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 0.769 -18.276 23.294 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 12.232 -25.954 23.728 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 11.718 -26.080 24.525 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 12.077 -25.042 23.483 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 8.969 -23.654 25.812 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 8.406 -24.358 26.132 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 9.795 -23.774 26.279 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 10.135 -22.745 21.809 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 10.459 -23.376 21.166 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 9.695 -23.280 22.470 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 2.203 -19.437 25.742 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 2.936 -19.183 26.303 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 1.423 -19.233 26.257 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 7.403 -19.429 12.579 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 6.659 -19.936 12.256 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 7.269 -19.380 13.525 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.923 -19.245 23.816 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.577 -19.626 24.622 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 8.723 -18.311 23.887 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 6.553 -22.156 25.876 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 6.257 -22.322 24.981 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 7.484 -22.376 25.866 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 15.200 -15.752 12.598 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 14.827 -16.578 12.908 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 15.477 -15.935 11.701 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 12.360 -20.944 19.620 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 11.432 -21.176 19.593 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 12.811 -21.721 19.290 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 6.845 -14.804 21.644 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 7.208 -13.949 21.411 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 7.377 -15.096 22.385 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 10.389 -18.705 21.345 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 9.963 -18.932 22.171 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 10.970 -19.443 21.162 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 12.592 -17.776 10.419 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 12.945 -18.156 11.223 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 11.643 -17.869 10.505 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 8.425 -24.813 23.228 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 8.544 -24.239 23.985 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 9.080 -25.501 23.343 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 14.629 -26.906 24.063 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 13.713 -26.643 23.975 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 14.965 -26.909 23.166 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 13.231 -23.155 18.159 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 12.434 -23.570 17.830 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 13.676 -23.846 18.650 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 0.032 -13.228 26.009 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 0.572 -13.445 26.768 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 -0.449 -14.034 25.819 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 13.325 -14.984 9.238 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 13.608 -15.778 9.691 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 14.065 -14.751 8.677 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 6.594 -19.448 26.396 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 6.266 -19.177 25.538 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 6.746 -20.389 26.308 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 12.329 -19.532 23.779 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 13.074 -18.944 23.659 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 11.572 -18.950 23.842 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 0.771 -22.218 26.383 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 1.179 -23.075 26.262 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 0.511 -22.203 27.304 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 5.058 -25.854 24.840 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 5.208 -26.583 24.237 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 5.060 -25.077 24.281 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 3.536 -24.656 26.751 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 2.769 -25.188 26.541 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 4.215 -24.966 26.152 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 7.540 -25.706 26.327 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 7.304 -25.926 27.229 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 6.757 -25.913 25.818 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 10.256 -26.579 25.403 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 9.308 -26.547 25.535 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 10.568 -27.204 26.057 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 11.890 -27.945 27.408 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 11.793 -28.897 27.402 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 11.568 -27.676 28.269 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 1.717 -26.735 26.456 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 1.928 -27.442 25.845 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 1.605 -27.173 27.300 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 6.498 -30.734 25.435 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 7.210 -31.374 25.421 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 6.397 -30.467 24.521 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 6.851 -29.051 27.489 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 6.720 -29.527 26.668 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 6.252 -28.307 27.433 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 6.398 -12.168 10.665 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 7.331 -12.010 10.809 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 6.134 -11.493 10.040 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 -0.034 -17.532 10.148 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 0.880 -17.453 10.421 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 -0.027 -18.219 9.481 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 14.852 -24.897 19.369 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 15.785 -24.685 19.335 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 14.617 -24.795 20.292 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 14.881 -24.160 22.145 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 14.038 -23.892 22.511 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 15.324 -23.338 21.934 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 17.164 -30.180 27.499 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 17.514 -30.834 26.893 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 17.311 -29.343 27.059 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 16.684 -28.071 25.848 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 15.767 -27.800 25.812 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 16.807 -28.606 25.064 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 1.157 -16.230 26.125 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.336 -16.055 25.665 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 0.905 -16.303 27.046 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 4.111 -15.255 22.384 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 3.686 -14.446 22.101 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 5.016 -15.170 22.082 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 1.513 -11.999 22.431 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 0.793 -11.559 21.980 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 1.147 -12.250 23.280 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 3.980 -12.399 21.461 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 3.115 -12.327 21.865 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 3.925 -11.852 20.677 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 5.606 -14.196 18.845 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 5.819 -15.084 18.558 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 5.671 -14.230 19.800 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 1.399 -29.384 25.329 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 1.033 -30.149 25.772 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 2.312 -29.355 25.616 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 3.372 -30.033 26.865 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 4.271 -30.307 26.680 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 2.986 -30.776 27.329 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 11.794 -30.701 27.047 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 11.870 -31.127 27.901 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 12.687 -30.687 26.705 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 5.450 -26.772 28.116 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 5.019 -27.217 28.846 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 4.732 -26.400 27.604 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 -0.033 -26.284 30.592 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 0.441 -25.693 30.007 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 -0.751 -25.753 30.939 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 0.658 -21.754 29.196 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 1.274 -21.127 29.575 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 -0.204 -21.438 29.467 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 2.073 -19.841 30.688 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 1.387 -19.489 31.255 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 2.596 -19.078 30.442 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 1.005 -24.563 28.701 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 0.960 -23.624 28.880 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 0.117 -24.799 28.431 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 4.280 -19.074 27.951 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 4.344 -19.868 28.482 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 4.933 -19.193 27.262 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 6.500 -22.859 28.520 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 6.320 -23.013 27.592 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 7.451 -22.751 28.564 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 -0.034 -17.532 29.004 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 0.880 -17.453 29.277 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 -0.027 -18.219 28.337 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 14.608 -27.033 27.823 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 15.218 -27.405 28.460 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 13.771 -27.455 28.019 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 2.139 -28.184 28.914 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 2.630 -28.814 28.386 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 2.762 -27.888 29.577 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 2.948 -8.785 -16.443 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 2.729 -8.255 -17.209 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 2.280 -8.558 -15.795 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 8.906 -10.854 -14.838 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 9.326 -11.269 -14.085 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 7.973 -11.032 -14.721 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 8.969 -4.798 -11.900 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 8.406 -5.502 -11.580 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 9.795 -4.918 -11.433 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 1.170 -8.064 -14.491 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 0.277 -7.725 -14.558 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 1.071 -8.919 -14.073 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 8.425 -5.957 -14.484 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 8.544 -5.383 -13.727 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 9.080 -6.645 -14.369 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 5.058 -6.998 -12.872 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 5.208 -7.727 -13.475 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 5.060 -6.221 -13.431 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 5.470 -8.628 -15.380 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 6.006 -8.177 -16.032 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 4.618 -8.736 -15.802 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 3.536 -5.800 -10.961 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 2.769 -6.332 -11.171 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 4.215 -6.110 -11.560 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 6.276 -11.172 -14.948 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 6.178 -10.225 -15.054 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 5.533 -11.544 -15.424 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 7.540 -6.850 -11.385 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 7.304 -7.070 -10.483 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 6.757 -7.057 -11.894 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 10.256 -7.723 -12.309 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 9.308 -7.691 -12.177 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 10.568 -8.348 -11.655 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 11.890 -9.089 -10.304 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 11.793 -10.041 -10.310 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 11.568 -8.820 -9.443 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 1.717 -7.879 -11.256 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 1.928 -8.586 -11.867 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 1.605 -8.317 -10.412 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 -0.837 -6.856 -12.090 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 0.082 -6.978 -11.854 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 -1.287 -7.606 -11.701 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 -1.035 -10.549 -15.731 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 -1.700 -10.795 -15.088 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 -1.478 -9.927 -16.308 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 1.399 -10.528 -12.383 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 1.033 -11.293 -11.940 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 2.312 -10.499 -12.096 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 11.794 -11.845 -10.665 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 11.870 -12.271 -9.811 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 12.687 -11.831 -11.007 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -0.645 -4.906 -4.146 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -1.093 -4.060 -4.164 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -1.206 -5.486 -4.661 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 0.065 -2.744 -2.020 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 0.279 -3.514 -1.493 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 0.803 -2.655 -2.623 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 11.860 -7.572 -3.260 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 12.506 -7.901 -2.635 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 12.370 -7.054 -3.883 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 0.758 -5.306 -0.899 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 1.412 -5.856 -0.467 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 0.782 -5.580 -1.815 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 5.914 -3.756 -1.683 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 6.530 -4.282 -1.174 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 5.328 -4.396 -2.087 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 2.948 -8.785 2.413 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 2.729 -8.255 1.647 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 2.280 -8.558 3.061 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 2.542 -6.893 0.366 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 3.155 -6.260 0.739 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 3.054 -7.365 -0.291 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 4.292 -1.802 -2.799 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 3.962 -2.172 -3.618 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 4.880 -2.472 -2.453 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 4.659 -3.033 0.834 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 5.224 -2.912 0.071 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 4.978 -2.396 1.473 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 3.282 -2.732 -5.210 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 2.990 -1.964 -5.701 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 2.608 -3.392 -5.373 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 8.906 -10.854 4.018 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 9.326 -11.269 4.771 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 7.973 -11.032 4.135 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 8.568 -8.361 -8.697 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 8.314 -8.342 -7.774 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 8.311 -9.233 -8.998 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 4.334 -5.610 1.739 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 3.692 -5.651 2.448 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 4.371 -4.684 1.501 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 4.331 -5.389 -3.349 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 3.438 -5.730 -3.408 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 4.782 -5.766 -4.105 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 9.867 -4.973 -4.532 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 9.458 -4.158 -4.824 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 10.587 -5.113 -5.147 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 10.871 -5.527 -1.718 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 10.676 -4.922 -2.433 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 11.053 -6.361 -2.153 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 2.084 -5.290 3.606 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 2.046 -4.890 4.474 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 1.593 -6.107 3.696 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 -1.308 -8.174 -2.544 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 -0.677 -8.203 -1.824 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 -0.858 -8.599 -3.274 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 -0.033 -7.428 -7.120 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 0.441 -6.837 -7.705 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 -0.751 -6.897 -6.773 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 1.741 -6.333 -3.436 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 0.852 -6.233 -3.776 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 2.037 -7.175 -3.782 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 5.394 -6.333 -5.780 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 6.326 -6.204 -5.602 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 5.179 -5.663 -6.429 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 11.318 -8.727 1.001 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 10.641 -8.596 1.665 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 10.832 -8.882 0.191 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 4.068 -5.138 -8.213 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 3.526 -5.518 -8.904 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 4.902 -4.944 -8.642 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 8.233 -5.174 -0.376 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 8.797 -5.721 -0.923 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 8.085 -5.696 0.413 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 6.859 -6.786 2.038 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 6.024 -6.332 2.148 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 7.383 -6.510 2.790 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 11.301 -7.759 -8.078 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 10.363 -7.647 -8.229 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 11.598 -6.902 -7.772 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 1.170 -8.064 4.365 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 0.277 -7.725 4.298 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 1.071 -8.919 4.783 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 9.905 -8.323 3.255 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 10.603 -8.249 3.905 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 9.524 -9.187 3.410 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 10.689 -8.671 -5.648 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 10.909 -8.199 -6.451 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 11.247 -8.276 -4.977 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 7.889 -6.943 -4.813 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 8.701 -6.439 -4.767 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 7.644 -7.088 -3.899 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 8.773 -9.862 -3.875 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 8.426 -9.244 -3.230 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 9.431 -9.361 -4.356 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 1.005 -5.707 -9.011 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 0.960 -4.768 -8.832 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 0.117 -5.943 -9.281 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 6.500 -4.003 -9.192 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 6.320 -4.157 -10.120 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 7.451 -3.895 -9.148 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 5.058 -6.998 5.984 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 5.208 -7.727 5.381 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 5.060 -6.221 5.425 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 5.470 -8.628 3.476 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 6.006 -8.177 2.824 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 4.618 -8.736 3.054 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 3.536 -5.800 7.895 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 2.769 -6.332 7.685 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 4.215 -6.110 7.296 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 7.540 -6.850 7.471 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 7.304 -7.070 8.373 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 6.757 -7.057 6.962 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 10.256 -7.723 6.547 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 9.308 -7.691 6.679 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 10.568 -8.348 7.201 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 11.890 -9.089 8.552 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 11.793 -10.041 8.546 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 11.568 -8.820 9.413 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 1.717 -7.879 7.600 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 1.928 -8.586 6.989 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 1.605 -8.317 8.444 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 6.851 -10.195 8.633 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 6.720 -10.671 7.812 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 6.252 -9.451 8.577 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 -0.837 -6.856 6.766 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 0.082 -6.978 7.002 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 -1.287 -7.606 7.155 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 0.384 -8.544 -0.343 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 0.829 -9.336 -0.041 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 0.850 -7.828 0.088 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 -1.312 -5.545 0.726 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 -0.820 -5.766 -0.064 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 -0.950 -4.704 1.007 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 -0.999 -9.287 -5.219 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 -1.924 -9.078 -5.349 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 -0.545 -8.803 -5.909 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 -1.035 -10.549 3.125 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 -1.700 -10.795 3.768 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 -1.478 -9.927 2.548 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 9.115 -9.676 -0.866 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 8.440 -10.305 -0.611 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 9.679 -10.160 -1.469 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 0.278 -11.244 -7.241 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 0.717 -10.633 -7.832 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 -0.356 -10.706 -6.767 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 11.578 -11.085 -1.582 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 11.654 -10.990 -2.531 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 11.302 -11.993 -1.453 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 12.931 -11.059 -5.889 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 12.228 -10.445 -6.099 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 12.486 -11.897 -5.758 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 11.794 -11.845 8.191 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 11.870 -12.271 9.045 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 12.687 -11.831 7.849 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 -0.645 -4.906 14.710 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 -1.093 -4.060 14.692 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 -1.206 -5.486 14.195 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 0.065 -2.744 16.836 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 0.279 -3.514 17.363 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 0.803 -2.655 16.233 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 4.138 -7.703 17.195 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 4.181 -6.843 16.777 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 3.680 -8.255 16.562 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 0.758 -5.306 17.957 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 1.412 -5.856 18.389 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 0.782 -5.580 17.041 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 2.948 -8.785 21.269 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 2.729 -8.255 20.503 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 2.280 -8.558 21.917 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 2.542 -6.893 19.222 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 3.155 -6.260 19.595 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 3.054 -7.365 18.565 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 6.974 -11.479 18.722 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 6.857 -12.428 18.668 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 6.119 -11.147 18.995 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 15.216 -11.520 11.672 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 14.317 -11.381 11.967 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 15.468 -10.689 11.270 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 4.243 -10.576 19.500 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 3.382 -10.663 19.092 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 4.221 -9.720 19.927 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 8.568 -8.361 10.159 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 8.314 -8.342 11.082 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 8.311 -9.233 9.858 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 5.450 -7.916 9.260 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 5.019 -8.361 9.990 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 4.732 -7.544 8.748 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 -1.308 -8.174 16.312 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 -0.677 -8.203 17.032 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 -0.858 -8.599 15.582 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 -0.033 -7.428 11.736 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 0.441 -6.837 11.151 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 -0.751 -6.897 12.083 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 1.741 -6.333 15.420 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 0.852 -6.233 15.080 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 2.037 -7.175 15.074 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 3.235 -9.038 14.898 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 2.918 -9.940 14.863 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 4.016 -9.036 14.346 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 1.170 -8.064 23.221 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 0.277 -7.725 23.154 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 1.071 -8.919 23.639 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 4.430 -8.799 11.669 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 4.347 -7.910 12.015 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 5.320 -9.064 11.900 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 1.005 -5.707 9.845 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 0.960 -4.768 10.024 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 0.117 -5.943 9.575 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 1.813 -10.925 18.518 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 1.584 -10.866 17.591 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 1.370 -11.717 18.825 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 0.384 -8.544 18.513 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 0.829 -9.336 18.815 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 0.850 -7.828 18.944 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 -1.312 -5.545 19.582 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 -0.820 -5.766 18.792 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 -0.950 -4.704 19.863 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 -0.999 -9.287 13.637 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 -1.924 -9.078 13.507 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 -0.545 -8.803 12.947 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 -1.035 -10.549 21.981 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 -1.700 -10.795 22.624 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -1.478 -9.927 21.404 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 0.278 -11.244 11.615 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 0.717 -10.633 11.024 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 -0.356 -10.706 12.089 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 6.021 -11.115 15.625 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 6.895 -10.727 15.595 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 5.885 -11.330 16.548 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 12.931 -11.059 12.967 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 12.228 -10.445 12.757 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 12.486 -11.897 13.098 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 2.139 -9.328 10.058 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 2.630 -9.958 9.530 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 2.762 -9.032 10.721 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 7.165 -9.035 12.515 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 7.343 -9.681 13.198 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 7.111 -8.201 12.982 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 1.399 -10.528 25.329 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 1.033 -11.293 25.772 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 2.312 -10.499 25.616 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 18.888 -50.940 -11.703 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 19.428 -51.157 -10.944 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 18.407 -51.746 -11.893 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 20.013 -53.942 -11.587 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 19.192 -53.767 -12.047 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 19.761 -54.015 -10.666 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 20.369 -49.711 -15.281 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 19.649 -49.271 -15.732 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 20.003 -49.962 -14.432 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 20.677 -59.584 1.926 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 20.719 -60.210 2.650 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 21.380 -58.961 2.108 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 18.211 -61.474 -4.146 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 17.763 -60.628 -4.164 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 17.650 -62.054 -4.661 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 18.921 -59.312 -2.020 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 19.135 -60.082 -1.493 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 19.659 -59.223 -2.623 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 19.614 -61.874 -0.899 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 20.268 -62.424 -0.467 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 19.638 -62.148 -1.815 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 24.373 -57.677 2.701 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 23.633 -57.079 2.804 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 25.087 -57.123 2.385 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.781 -55.713 3.488 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 22.775 -54.834 3.110 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 21.927 -55.796 3.913 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 18.902 -56.042 -5.730 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 18.630 -55.813 -6.619 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 18.947 -55.204 -5.270 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 23.148 -58.370 -2.799 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 22.818 -58.740 -3.618 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 23.736 -59.040 -2.453 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 24.515 -54.942 -0.118 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 24.420 -55.520 -0.875 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 25.244 -55.313 0.378 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 23.515 -59.601 0.834 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 24.080 -59.480 0.071 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 23.834 -58.964 1.473 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 24.395 -55.202 5.551 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 24.083 -54.420 6.007 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 23.745 -55.355 4.865 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 21.315 -59.004 4.780 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 21.385 -58.353 5.478 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 20.424 -58.901 4.445 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 22.634 -53.130 6.315 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 22.642 -53.266 5.367 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 21.718 -53.248 6.567 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 20.480 -55.614 4.648 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 20.697 -55.975 5.508 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 19.625 -55.988 4.438 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 20.940 -61.858 3.606 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 20.902 -61.458 4.474 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 20.449 -62.675 3.696 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 21.059 -57.149 6.886 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 21.792 -56.895 7.447 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 20.279 -56.945 7.401 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 21.384 -57.846 -0.508 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 22.129 -57.848 -1.109 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 21.462 -58.670 -0.026 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 18.392 -59.385 4.807 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 18.615 -59.803 5.639 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 17.790 -59.998 4.385 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 23.759 -54.328 -3.103 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 24.286 -53.555 -3.304 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 22.879 -54.103 -3.405 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 25.186 -56.665 -3.527 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 24.945 -55.740 -3.485 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 24.446 -57.124 -3.131 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 25.701 -52.516 2.788 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 26.064 -51.661 2.555 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 26.233 -52.808 3.529 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 23.870 -51.643 -3.982 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 22.920 -51.538 -3.930 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 24.221 -50.823 -3.637 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 24.476 -54.806 -7.534 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 24.623 -55.326 -6.744 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 24.473 -53.899 -7.228 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 20.929 -57.553 -7.024 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 20.243 -57.201 -6.457 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 21.452 -56.790 -7.270 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 24.552 -52.065 -6.803 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 24.713 -51.265 -7.304 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 24.355 -51.758 -5.918 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 21.545 -54.939 -8.127 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 22.137 -54.240 -7.851 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 22.004 -55.372 -8.846 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 18.888 -50.940 7.153 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 19.428 -51.157 7.912 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 18.407 -51.746 6.963 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 23.485 -52.021 8.773 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 24.253 -52.480 9.114 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 23.464 -52.247 7.843 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 19.627 -59.930 7.527 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 20.035 -60.787 7.406 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 19.367 -59.915 8.448 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 25.254 -49.880 -8.191 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 26.187 -49.722 -8.047 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 24.990 -49.205 -8.816 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 18.822 -55.244 -8.708 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 19.736 -55.165 -8.435 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 18.829 -55.931 -9.375 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 17.544 -62.113 0.726 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 18.036 -62.334 -0.064 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 17.906 -61.272 1.007 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 22.967 -52.967 3.528 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 22.542 -52.158 3.245 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 23.872 -52.882 3.226 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 27.547 -50.223 1.781 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 27.090 -49.694 1.127 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 27.710 -49.620 2.506 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 24.462 -51.908 -0.011 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 24.675 -52.796 -0.298 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 24.527 -51.942 0.944 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 20.853 -50.944 -9.318 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 20.585 -50.657 -8.445 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 21.624 -51.490 -9.166 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 18.902 -56.042 13.126 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 18.630 -55.813 12.237 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 18.947 -55.204 13.586 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 19.514 -59.466 10.340 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 20.130 -58.839 10.719 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 18.652 -59.150 10.611 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 20.929 -57.553 11.832 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 20.243 -57.201 12.399 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 21.452 -56.790 11.586 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 21.545 -54.939 10.729 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 22.137 -54.240 11.005 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 22.004 -55.372 10.010 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 23.136 -56.786 9.095 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 23.200 -57.580 9.626 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 23.789 -56.905 8.406 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 17.471 -49.851 15.225 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 16.824 -50.313 14.692 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 17.826 -50.523 15.808 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 19.035 -51.864 12.513 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 18.350 -51.902 11.845 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 19.038 -50.951 12.801 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 20.853 -50.944 9.538 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 20.585 -50.657 10.411 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 21.624 -51.490 9.690 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 18.231 -38.081 -15.251 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 17.730 -38.109 -16.066 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 18.237 -38.987 -14.941 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 18.392 -40.529 -14.049 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 18.615 -40.947 -13.217 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 17.790 -41.142 -14.471 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 20.026 -45.776 -14.491 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 19.133 -45.437 -14.558 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 19.927 -46.631 -14.073 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 18.795 -38.274 -10.749 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 18.939 -39.176 -11.035 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 18.022 -37.988 -11.237 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 19.627 -41.074 -11.329 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 20.035 -41.931 -11.450 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 19.367 -41.059 -10.408 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 20.573 -45.591 -11.256 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 20.784 -46.298 -11.867 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 20.461 -46.029 -10.412 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 18.019 -44.568 -12.090 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 18.938 -44.690 -11.854 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 17.569 -45.318 -11.701 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 17.821 -48.261 -15.731 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 17.156 -48.507 -15.088 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 17.378 -47.639 -16.308 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 20.255 -48.240 -12.383 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 19.889 -49.005 -11.940 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 21.168 -48.211 -12.096 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 20.677 -40.728 1.926 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 20.719 -41.354 2.650 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 21.380 -40.105 2.108 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 18.921 -40.456 -2.020 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 19.135 -41.226 -1.493 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 19.659 -40.367 -2.623 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 29.126 -32.299 -1.153 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 29.746 -32.976 -1.426 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 28.918 -32.517 -0.245 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 26.698 -37.910 0.739 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 27.002 -38.596 0.145 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 27.420 -37.792 1.357 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 24.770 -41.468 -1.683 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 25.386 -41.994 -1.174 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 24.184 -42.108 -2.087 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 24.373 -38.821 2.701 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 23.633 -38.223 2.804 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 25.087 -38.267 2.385 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 22.781 -36.857 3.488 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 22.775 -35.978 3.110 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 21.927 -36.940 3.913 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 18.902 -37.186 -5.730 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 18.630 -36.957 -6.619 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 18.947 -36.348 -5.270 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 25.830 -49.191 -0.134 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 25.713 -50.140 -0.188 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 24.975 -48.859 0.139 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 23.148 -39.514 -2.799 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 22.818 -39.884 -3.618 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 23.736 -40.184 -2.453 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 24.515 -36.086 -0.118 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 24.420 -36.664 -0.875 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 25.244 -36.457 0.378 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 23.515 -40.745 0.834 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 24.080 -40.624 0.071 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 23.834 -40.108 1.473 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 24.395 -36.346 5.551 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 24.083 -35.564 6.007 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 23.745 -36.499 4.865 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 21.315 -40.148 4.780 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 21.385 -39.497 5.478 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 20.424 -40.045 4.445 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 28.100 -34.245 -3.562 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 28.574 -33.950 -2.784 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 27.537 -33.507 -3.795 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.138 -40.444 -5.210 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 21.846 -39.676 -5.701 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 21.464 -41.104 -5.373 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 27.158 -35.061 5.047 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 27.245 -34.235 5.522 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 26.294 -35.391 5.296 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 27.572 -31.289 -5.147 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 27.497 -31.410 -6.093 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 27.605 -30.339 -5.028 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 23.190 -43.322 1.739 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 22.548 -43.363 2.448 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 23.227 -42.396 1.501 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 23.187 -43.101 -3.349 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 22.294 -43.442 -3.408 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 23.638 -43.478 -4.105 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 20.940 -43.002 3.606 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 20.902 -42.602 4.474 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 20.449 -43.819 3.696 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 25.769 -45.674 -2.263 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 24.858 -45.617 -1.974 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 26.274 -45.734 -1.452 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 24.250 -44.045 -5.780 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 25.182 -43.916 -5.602 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 24.035 -43.375 -6.429 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 22.924 -42.850 -8.213 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 22.382 -43.230 -8.904 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 23.758 -42.656 -8.642 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 27.089 -42.886 -0.376 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 27.653 -43.433 -0.923 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 26.941 -43.408 0.413 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 25.715 -44.498 2.038 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 24.880 -44.044 2.148 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 26.239 -44.222 2.790 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 21.384 -38.990 -0.508 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 22.129 -38.992 -1.109 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 21.462 -39.814 -0.026 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 23.759 -35.472 -3.103 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 24.286 -34.699 -3.304 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 22.879 -35.247 -3.405 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 19.514 -40.610 -8.516 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 20.130 -39.983 -8.137 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 18.652 -40.294 -8.245 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 25.186 -37.809 -3.527 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 24.945 -36.884 -3.485 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 24.446 -38.268 -3.131 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 25.701 -33.660 2.788 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 26.064 -32.805 2.555 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 26.233 -33.952 3.529 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 23.870 -32.787 -3.982 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 22.920 -32.682 -3.930 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 24.221 -31.967 -3.637 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.026 -45.776 4.365 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 19.133 -45.437 4.298 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 19.927 -46.631 4.783 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 24.476 -35.950 -7.534 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 24.623 -36.470 -6.744 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 24.473 -35.043 -7.228 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 20.929 -38.697 -7.024 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 20.243 -38.345 -6.457 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 21.452 -37.934 -7.270 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 26.745 -44.655 -4.813 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 27.557 -44.151 -4.767 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 26.500 -44.800 -3.899 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 27.629 -47.574 -3.875 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 27.282 -46.956 -3.230 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 28.287 -47.073 -4.356 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 24.552 -33.209 -6.803 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 24.713 -32.409 -7.304 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 24.355 -32.902 -5.918 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 23.286 -46.511 -7.187 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 23.203 -45.622 -6.841 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 24.176 -46.776 -6.956 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 21.545 -36.083 -8.127 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 22.137 -35.384 -7.851 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 22.004 -36.516 -8.846 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 19.861 -43.419 -9.011 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 19.816 -42.480 -8.832 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 18.973 -43.655 -9.281 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 23.485 -33.165 8.773 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 24.253 -33.624 9.114 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 23.464 -33.391 7.843 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 25.450 -38.304 7.540 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 25.122 -38.033 6.682 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 25.602 -39.245 7.452 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 23.574 -42.065 4.901 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 22.956 -41.390 5.182 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 23.918 -41.744 4.068 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 23.914 -44.710 5.984 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 24.064 -45.439 5.381 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 23.916 -43.933 5.425 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 24.326 -46.340 3.476 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 24.862 -45.889 2.824 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 23.474 -46.448 3.054 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 22.392 -43.512 7.895 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 21.625 -44.044 7.685 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 23.071 -43.822 7.296 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 25.132 -48.884 3.908 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 25.034 -47.937 3.802 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 24.389 -49.256 3.432 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 20.573 -45.591 7.600 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 20.784 -46.298 6.989 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.461 -46.029 8.444 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 25.354 -49.590 6.579 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 26.066 -50.230 6.565 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 25.253 -49.323 5.665 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 18.822 -36.388 -8.708 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 19.736 -36.309 -8.435 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 18.829 -37.075 -9.375 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 18.421 -39.839 0.625 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 18.605 -39.921 -0.310 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 19.270 -39.963 1.049 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 27.278 -32.712 6.487 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 27.463 -33.046 7.365 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 28.125 -32.403 6.165 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 27.547 -31.367 1.781 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 27.090 -30.838 1.127 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 27.710 -30.764 2.506 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 27.971 -47.388 -0.866 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 27.296 -48.017 -0.611 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 28.535 -47.872 -1.469 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 19.134 -48.956 -7.241 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 19.573 -48.345 -7.832 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 18.500 -48.418 -6.767 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 24.877 -48.827 -3.231 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 25.751 -48.439 -3.261 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 24.741 -49.042 -2.308 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 19.035 -33.008 -6.343 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 18.350 -33.046 -7.011 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 19.038 -32.095 -6.055 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 20.995 -47.040 -8.798 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 21.486 -47.670 -9.326 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.618 -46.744 -8.135 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 26.021 -46.747 -6.341 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 26.199 -47.393 -5.658 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 25.967 -45.913 -5.874 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 20.255 -48.240 6.473 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 19.889 -49.005 6.916 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 21.168 -48.211 6.760 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 22.228 -48.889 8.009 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 23.127 -49.163 7.824 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.842 -49.632 8.473 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 20.853 -32.088 -9.318 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 20.585 -31.801 -8.445 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 21.624 -32.634 -9.166 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 20.677 -40.728 20.782 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 20.719 -41.354 21.506 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 21.380 -40.105 20.964 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 21.601 -36.278 19.317 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 21.231 -37.080 18.948 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 22.542 -36.447 19.364 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 22.994 -45.415 17.195 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 23.037 -44.555 16.777 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 22.536 -45.967 16.562 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 19.614 -43.018 17.957 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 20.268 -43.568 18.389 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 19.638 -43.292 17.041 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 24.770 -41.468 17.173 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 25.386 -41.994 17.682 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 24.184 -42.108 16.769 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 21.398 -44.605 19.222 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 22.011 -43.972 19.595 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 21.910 -45.077 18.565 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 23.148 -39.514 16.057 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 22.818 -39.884 15.238 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 23.736 -40.184 16.403 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 24.515 -36.086 18.738 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 24.420 -36.664 17.981 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 25.244 -36.457 19.234 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 22.138 -40.444 13.646 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 21.846 -39.676 13.155 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 21.464 -41.104 13.483 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 18.231 -38.081 22.461 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 17.730 -38.109 21.646 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 18.237 -38.987 22.771 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 27.572 -31.289 13.709 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 27.497 -31.410 12.763 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 27.605 -30.339 13.828 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 20.480 -36.758 23.504 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 20.697 -37.119 24.364 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 19.625 -37.132 23.294 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 23.187 -43.101 15.507 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 22.294 -43.442 15.448 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.638 -43.478 14.751 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 20.940 -43.002 22.462 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 20.902 -42.602 23.330 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 20.449 -43.819 22.552 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 17.548 -45.886 16.312 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 18.179 -45.915 17.032 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 17.998 -46.311 15.582 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 18.823 -45.140 11.736 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 19.297 -44.549 11.151 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 18.105 -44.609 12.083 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 24.250 -44.045 13.076 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 25.182 -43.916 13.254 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 24.035 -43.375 12.427 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 22.924 -42.850 10.643 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 22.382 -43.230 9.952 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 23.758 -42.656 10.214 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 22.091 -46.750 14.898 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 21.774 -47.652 14.863 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 22.872 -46.748 14.346 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 21.384 -38.990 18.348 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 22.129 -38.992 17.747 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 21.462 -39.814 18.830 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 18.392 -40.529 23.663 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 18.615 -40.947 24.495 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 17.790 -41.142 23.241 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 23.759 -35.472 15.753 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 24.286 -34.699 15.552 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 22.879 -35.247 15.451 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 25.186 -37.809 15.329 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 24.945 -36.884 15.371 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 24.446 -38.268 15.725 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 23.870 -32.787 14.874 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 22.920 -32.682 14.926 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 24.221 -31.967 15.219 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 19.677 -33.971 21.656 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 19.894 -34.903 21.625 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 19.924 -33.697 22.540 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 25.539 -35.520 8.866 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 25.778 -36.268 8.318 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 25.270 -35.908 9.698 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 24.476 -35.950 11.322 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 24.623 -36.470 12.112 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 24.473 -35.043 11.628 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 24.552 -33.209 12.053 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 24.713 -32.409 11.552 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 24.355 -32.902 12.938 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 23.286 -46.511 11.669 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 23.203 -45.622 12.015 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 24.176 -46.776 11.900 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 21.545 -36.083 10.729 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 22.137 -35.384 11.005 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 22.004 -36.516 10.010 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 19.861 -43.419 9.845 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 19.816 -42.480 10.024 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 18.973 -43.655 9.575 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 18.888 -32.084 26.009 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 19.428 -32.301 26.768 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 18.407 -32.890 25.819 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 23.136 -37.930 9.095 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 23.200 -38.724 9.626 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 23.789 -38.049 8.406 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 24.285 -39.958 11.401 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 23.826 -40.442 12.087 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 24.540 -40.626 10.765 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 25.254 -31.024 10.665 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 26.187 -30.866 10.809 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 24.990 -30.349 10.040 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 19.240 -46.256 18.513 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 19.685 -47.048 18.815 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 19.706 -45.540 18.944 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 17.857 -46.999 13.637 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 16.932 -46.790 13.507 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 18.311 -46.515 12.947 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 20.013 -35.086 26.125 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.192 -34.911 25.665 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 19.761 -35.159 27.046 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 20.369 -30.855 22.431 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 19.649 -30.415 21.980 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 20.003 -31.106 23.280 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 19.784 -32.232 19.342 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 19.765 -32.657 20.199 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 20.589 -32.550 18.933 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 21.925 -33.522 17.997 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 21.706 -34.438 18.166 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 22.749 -33.382 18.463 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 24.462 -33.052 18.845 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 24.675 -33.940 18.558 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 24.527 -33.086 19.800 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 20.297 -48.754 15.812 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 19.520 -48.988 15.304 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 20.828 -49.551 15.820 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 19.134 -48.956 11.615 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 19.573 -48.345 11.024 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 18.500 -48.418 12.089 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 20.995 -47.040 10.058 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 21.486 -47.670 9.530 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 21.618 -46.744 10.721 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 20.677 -21.872 1.926 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 20.719 -22.498 2.650 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 21.380 -21.249 2.108 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 21.601 -17.422 0.461 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 21.231 -18.224 0.092 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 22.542 -17.591 0.508 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 18.211 -23.762 -4.146 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 17.763 -22.916 -4.164 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 17.650 -24.342 -4.661 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 18.921 -21.600 -2.020 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 19.135 -22.370 -1.493 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 19.659 -21.511 -2.623 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 22.994 -26.559 -1.661 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 23.037 -25.699 -2.079 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 22.536 -27.111 -2.294 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 19.614 -24.162 -0.899 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 20.268 -24.712 -0.467 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 19.638 -24.436 -1.815 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 24.373 -19.965 2.701 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 23.633 -19.367 2.804 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 25.087 -19.411 2.385 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 21.398 -25.749 0.366 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 22.011 -25.116 0.739 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 21.910 -26.221 -0.291 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.781 -18.001 3.488 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 22.775 -17.122 3.110 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 21.927 -18.084 3.913 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 25.830 -30.335 -0.134 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 25.713 -31.284 -0.188 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 24.975 -30.003 0.139 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 23.515 -21.889 0.834 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 24.080 -21.768 0.071 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 23.834 -21.252 1.473 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 21.315 -21.292 4.780 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 21.385 -20.641 5.478 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.424 -21.189 4.445 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 18.231 -19.225 3.605 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 17.730 -19.253 2.790 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 18.237 -20.131 3.915 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 17.982 -16.445 0.489 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 18.928 -16.589 0.470 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 17.869 -15.661 1.026 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 20.480 -17.902 4.648 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 20.697 -18.263 5.508 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 19.625 -18.276 4.438 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 27.762 -29.710 4.018 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 28.182 -30.125 4.771 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 26.829 -29.888 4.135 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 23.190 -24.466 1.739 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 22.548 -24.507 2.448 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 23.227 -23.540 1.501 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 27.825 -23.654 6.956 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 27.262 -24.358 7.276 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 28.651 -23.774 7.423 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 18.823 -26.284 -7.120 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 19.297 -25.693 -7.705 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 18.105 -25.753 -6.773 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 25.769 -26.818 -2.263 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 24.858 -26.761 -1.974 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 26.274 -26.878 -1.452 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 20.597 -25.189 -3.436 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 19.708 -25.089 -3.776 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 20.893 -26.031 -3.782 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 21.059 -19.437 6.886 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 21.792 -19.183 7.447 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 20.279 -19.233 7.401 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 22.091 -27.894 -3.958 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 21.774 -28.796 -3.993 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 22.872 -27.892 -4.510 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 25.715 -25.642 2.038 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 24.880 -25.188 2.148 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 26.239 -25.366 2.790 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.384 -20.134 -0.508 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 22.129 -20.136 -1.109 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 21.462 -20.958 -0.026 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 25.409 -22.156 7.020 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 25.113 -22.322 6.125 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 26.340 -22.376 7.010 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 28.761 -27.179 3.255 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 29.459 -27.105 3.905 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 28.380 -28.043 3.410 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 27.281 -24.813 4.372 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 27.400 -24.239 5.129 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 27.936 -25.501 4.487 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 18.795 -19.418 8.107 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.939 -20.320 7.821 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.022 -19.132 7.619 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 23.574 -23.209 4.901 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 22.956 -22.534 5.182 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 23.918 -22.888 4.068 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 25.908 -22.045 3.716 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 26.659 -22.201 3.143 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 25.569 -21.193 3.440 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 22.392 -24.656 7.895 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 21.625 -25.188 7.685 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 23.071 -24.966 7.296 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 25.132 -30.028 3.908 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 25.034 -29.081 3.802 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 24.389 -30.400 3.432 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 26.396 -25.706 7.471 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 26.160 -25.926 8.373 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 25.613 -25.913 6.962 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 29.112 -26.579 6.547 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 28.164 -26.547 6.679 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 29.424 -27.204 7.201 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 25.354 -30.734 6.579 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 26.066 -31.374 6.565 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 25.253 -30.467 5.665 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 25.707 -29.051 8.633 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 25.576 -29.527 7.812 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 25.108 -28.307 8.577 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 17.857 -28.143 -5.219 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 16.932 -27.934 -5.349 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 18.311 -27.659 -5.909 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 27.971 -28.532 -0.866 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 27.296 -29.161 -0.611 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 28.535 -29.016 -1.469 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 19.134 -30.100 -7.241 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 19.573 -29.489 -7.832 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 18.500 -29.562 -6.767 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 24.877 -29.971 -3.231 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 25.751 -29.583 -3.261 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 24.741 -30.186 -2.308 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.211 -23.762 14.710 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 17.763 -22.916 14.692 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 17.650 -24.342 14.195 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 18.921 -21.600 16.836 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 19.135 -22.370 17.363 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 19.659 -21.511 16.233 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 22.994 -26.559 17.195 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 23.037 -25.699 16.777 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 22.536 -27.111 16.562 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 19.614 -24.162 17.957 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 20.268 -24.712 18.389 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 19.638 -24.436 17.041 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 21.398 -25.749 19.222 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 22.011 -25.116 19.595 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 21.910 -26.221 18.565 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 18.902 -18.330 13.126 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 18.630 -18.101 12.237 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 18.947 -17.492 13.586 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 25.830 -30.335 18.722 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 25.713 -31.284 18.668 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 24.975 -30.003 18.995 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 22.138 -21.588 13.646 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 21.846 -20.820 13.155 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 21.464 -22.248 13.483 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.099 -29.432 19.500 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 22.238 -29.519 19.092 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 23.077 -28.576 19.927 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 27.424 -27.217 10.159 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 27.170 -27.198 11.082 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 27.167 -28.089 9.858 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 23.187 -24.245 15.507 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 22.294 -24.586 15.448 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 23.638 -24.622 14.751 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 24.306 -26.772 9.260 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 23.875 -27.217 9.990 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 23.588 -26.400 8.748 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 17.548 -27.030 16.312 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 18.179 -27.059 17.032 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 17.998 -27.455 15.582 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 25.769 -26.818 16.593 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 24.858 -26.761 16.882 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 26.274 -26.878 17.404 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 20.597 -25.189 15.420 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 19.708 -25.089 15.080 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.893 -26.031 15.074 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 24.250 -25.189 13.076 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 25.182 -25.060 13.254 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 24.035 -24.519 12.427 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 22.924 -23.994 10.643 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 22.382 -24.374 9.952 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 23.758 -23.800 10.214 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 22.091 -27.894 14.898 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 21.774 -28.796 14.863 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 22.872 -27.892 14.346 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 20.026 -26.920 23.221 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 19.133 -26.581 23.154 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 19.927 -27.775 23.639 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 20.929 -19.841 11.832 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 20.243 -19.489 12.399 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 21.452 -19.078 11.586 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 23.286 -27.655 11.669 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 23.203 -26.766 12.015 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 24.176 -27.920 11.900 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 21.545 -17.227 10.729 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 22.137 -16.528 11.005 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 22.004 -17.660 10.010 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 19.861 -24.563 9.845 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 19.816 -23.624 10.024 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 18.973 -24.799 9.575 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 20.669 -29.781 18.518 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 20.440 -29.722 17.591 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 20.226 -30.573 18.825 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 23.136 -19.074 9.095 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 23.200 -19.868 9.626 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 23.789 -19.193 8.406 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 25.356 -22.859 9.664 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 25.176 -23.013 8.736 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 26.307 -22.751 9.708 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 18.822 -17.532 10.148 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 19.736 -17.453 10.421 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 18.829 -18.219 9.481 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 18.019 -25.712 25.622 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 18.938 -25.834 25.858 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 17.569 -26.462 26.011 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 19.240 -27.400 18.513 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 19.685 -28.192 18.815 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 19.706 -26.684 18.944 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 17.544 -24.401 19.582 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 18.036 -24.622 18.792 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 17.906 -23.560 19.863 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 24.877 -29.971 15.625 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 25.751 -29.583 15.595 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 24.741 -30.186 16.548 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 20.995 -28.184 10.058 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 21.486 -28.814 9.530 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 21.618 -27.888 10.721 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 26.021 -27.891 12.515 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 26.199 -28.537 13.198 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.967 -27.057 12.982 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 20.255 -29.384 25.329 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 19.889 -30.149 25.772 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 21.168 -29.355 25.616 0.00 0.00 WAT1 END