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 12:09:02 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.633 -0.712 -1.916 1.00 12.24 ATOM 2 CB MET 1 2.074 1.391 -1.878 1.00 72.55 ATOM 3 HB1 MET 1 2.946 1.506 -2.512 1.00 37.63 ATOM 4 HB2 MET 1 2.118 2.144 -1.102 1.00 43.32 ATOM 5 CG MET 1 0.851 1.646 -2.744 1.00 52.13 ATOM 6 HG1 MET 1 0.697 0.797 -3.397 1.00 37.63 ATOM 7 HG2 MET 1 1.042 2.522 -3.346 1.00 3.44 ATOM 8 SD MET 1 -0.646 1.908 -1.773 1.00 24.21 ATOM 9 CE MET 1 -1.336 3.342 -2.594 1.00 42.11 ATOM 10 HE1 MET 1 -2.260 3.624 -2.111 1.00 71.51 ATOM 11 HE2 MET 1 -1.529 3.105 -3.630 1.00 72.31 ATOM 12 HE3 MET 1 -0.635 4.162 -2.537 1.00 11.12 ATOM 13 C MET 1 3.533 -0.440 -0.995 1.00 55.10 ATOM 14 O MET 1 4.008 -0.430 0.139 1.00 24.44 ATOM 15 N MET 1 1.329 0.000 0.000 1.00 0.00 ATOM 16 HT1 MET 1 1.600 -0.813 0.595 1.00 37.63 ATOM 17 HT2 MET 1 0.319 -0.090 -0.200 1.00 37.63 ATOM 18 HT3 MET 1 1.491 0.873 0.548 1.00 37.63 ATOM 19 CA MET 1 2.093 -0.001 -1.242 1.00 52.33 ATOM 20 N GLY 2 4.221 -0.825 -2.065 1.00 44.02 ATOM 21 HN GLY 2 3.794 -0.802 -2.954 1.00 37.63 ATOM 22 CA GLY 2 5.600 -1.263 -1.942 1.00 54.42 ATOM 23 HA1 GLY 2 5.739 -1.764 -0.989 1.00 37.63 ATOM 24 HA2 GLY 2 6.241 -0.394 -1.972 1.00 70.43 ATOM 25 C GLY 2 6.010 -2.205 -3.056 1.00 43.24 ATOM 26 O GLY 2 5.695 -1.972 -4.224 1.00 34.52 ATOM 27 N HIS 3 6.718 -3.271 -2.697 1.00 2.00 ATOM 28 HN HIS 3 6.935 -3.416 -1.746 1.00 37.63 ATOM 29 CA HIS 3 7.174 -4.251 -3.676 1.00 21.51 ATOM 30 HA HIS 3 7.074 -3.828 -4.670 1.00 20.21 ATOM 31 CB HIS 3 8.644 -4.596 -3.437 1.00 63.30 ATOM 32 HB1 HIS 3 8.885 -5.533 -3.926 1.00 37.63 ATOM 33 HB2 HIS 3 8.819 -4.699 -2.376 1.00 74.44 ATOM 34 CG HIS 3 9.594 -3.563 -3.959 1.00 44.11 ATOM 35 ND1 HIS 3 10.860 -3.376 -3.445 1.00 22.20 ATOM 36 HD1 HIS 3 11.258 -3.882 -2.707 1.00 23.23 ATOM 37 CD2 HIS 3 9.458 -2.659 -4.957 1.00 1.40 ATOM 38 HD2 HIS 3 8.589 -2.522 -5.584 1.00 72.22 ATOM 39 CE1 HIS 3 11.461 -2.401 -4.103 1.00 13.52 ATOM 40 HE1 HIS 3 12.461 -2.037 -3.919 1.00 54.32 ATOM 41 NE2 HIS 3 10.631 -1.948 -5.026 1.00 63.40 ATOM 42 HE2 HIS 3 10.787 -1.161 -5.589 1.00 37.63 ATOM 43 C HIS 3 6.325 -5.518 -3.612 1.00 44.23 ATOM 44 O HIS 3 6.319 -6.223 -2.603 1.00 24.40 ATOM 45 N HIS 4 5.609 -5.800 -4.696 1.00 41.50 ATOM 46 HN HIS 4 5.663 -5.208 -5.484 1.00 37.63 ATOM 47 CA HIS 4 4.756 -6.981 -4.763 1.00 44.00 ATOM 48 HA HIS 4 4.443 -7.243 -3.757 1.00 62.25 ATOM 49 CB HIS 4 3.507 -6.687 -5.593 1.00 74.55 ATOM 50 HB1 HIS 4 2.898 -7.579 -5.659 1.00 37.63 ATOM 51 HB2 HIS 4 3.808 -6.386 -6.583 1.00 71.22 ATOM 52 CG HIS 4 2.655 -5.593 -5.028 1.00 1.20 ATOM 53 ND1 HIS 4 2.024 -4.649 -5.811 1.00 63.30 ATOM 54 HD1 HIS 4 2.065 -4.596 -6.789 1.00 63.02 ATOM 55 CD2 HIS 4 2.330 -5.295 -3.748 1.00 63.40 ATOM 56 HD2 HIS 4 2.650 -5.829 -2.865 1.00 63.20 ATOM 57 CE1 HIS 4 1.350 -3.818 -5.037 1.00 53.12 ATOM 58 HE1 HIS 4 0.760 -2.979 -5.375 1.00 31.43 ATOM 59 NE2 HIS 4 1.518 -4.188 -3.781 1.00 25.43 ATOM 60 HE2 HIS 4 1.050 -3.802 -3.011 1.00 37.63 ATOM 61 C HIS 4 5.513 -8.164 -5.361 1.00 14.43 ATOM 62 O HIS 4 6.404 -7.988 -6.192 1.00 4.44 ATOM 63 N HIS 5 5.151 -9.369 -4.932 1.00 1.11 ATOM 64 HN HIS 5 4.422 -9.454 -4.273 1.00 37.63 ATOM 65 CA HIS 5 5.796 -10.581 -5.425 1.00 11.22 ATOM 66 HA HIS 5 6.707 -10.300 -5.941 1.00 0.21 ATOM 67 CB HIS 5 6.167 -11.497 -4.258 1.00 75.13 ATOM 68 HB1 HIS 5 5.265 -11.868 -3.788 1.00 37.63 ATOM 69 HB2 HIS 5 6.732 -10.929 -3.534 1.00 52.01 ATOM 70 CG HIS 5 6.999 -12.674 -4.663 1.00 24.43 ATOM 71 ND1 HIS 5 7.876 -12.646 -5.727 1.00 31.32 ATOM 72 HD1 HIS 5 8.061 -11.876 -6.301 1.00 10.32 ATOM 73 CD2 HIS 5 7.087 -13.919 -4.138 1.00 1.03 ATOM 74 HD2 HIS 5 6.537 -14.296 -3.287 1.00 42.01 ATOM 75 CE1 HIS 5 8.465 -13.823 -5.840 1.00 24.10 ATOM 76 HE1 HIS 5 9.199 -14.093 -6.585 1.00 14.40 ATOM 77 NE2 HIS 5 8.005 -14.613 -4.887 1.00 74.32 ATOM 78 HE2 HIS 5 8.345 -15.509 -4.683 1.00 37.63 ATOM 79 C HIS 5 4.886 -11.322 -6.400 1.00 43.12 ATOM 80 O HIS 5 3.689 -11.473 -6.156 1.00 12.11 ATOM 81 N HIS 6 5.462 -11.782 -7.506 1.00 45.34 ATOM 82 HN HIS 6 6.420 -11.618 -7.663 1.00 37.63 ATOM 83 CA HIS 6 4.703 -12.507 -8.519 1.00 4.10 ATOM 84 HA HIS 6 3.758 -12.829 -8.097 1.00 25.20 ATOM 85 CB HIS 6 4.418 -11.602 -9.718 1.00 31.10 ATOM 86 HB1 HIS 6 3.851 -12.154 -10.456 1.00 37.63 ATOM 87 HB2 HIS 6 5.354 -11.284 -10.154 1.00 54.52 ATOM 88 CG HIS 6 3.638 -10.372 -9.368 1.00 62.20 ATOM 89 ND1 HIS 6 4.233 -9.179 -9.017 1.00 11.32 ATOM 90 HD1 HIS 6 5.197 -9.015 -8.961 1.00 50.13 ATOM 91 CD2 HIS 6 2.303 -10.155 -9.318 1.00 42.43 ATOM 92 HD2 HIS 6 1.528 -10.877 -9.535 1.00 31.20 ATOM 93 CE1 HIS 6 3.297 -8.281 -8.764 1.00 44.34 ATOM 94 HE1 HIS 6 3.468 -7.254 -8.485 1.00 25.34 ATOM 95 NE2 HIS 6 2.117 -8.847 -8.941 1.00 24.54 ATOM 96 HE2 HIS 6 1.257 -8.379 -8.917 1.00 37.63 ATOM 97 C HIS 6 5.457 -13.753 -8.975 1.00 4.53 ATOM 98 O HIS 6 6.636 -13.926 -8.663 1.00 42.23 ATOM 99 N HIS 7 4.770 -14.618 -9.713 1.00 54.22 ATOM 100 HN HIS 7 3.830 -14.419 -9.943 1.00 37.63 ATOM 101 CA HIS 7 5.375 -15.848 -10.212 1.00 14.24 ATOM 102 HA HIS 7 6.064 -16.217 -9.459 1.00 33.22 ATOM 103 CB HIS 7 4.302 -16.913 -10.439 1.00 33.10 ATOM 104 HB1 HIS 7 4.782 -17.861 -10.632 1.00 37.63 ATOM 105 HB2 HIS 7 3.697 -16.640 -11.294 1.00 3.21 ATOM 106 CG HIS 7 3.379 -17.092 -9.273 1.00 54.11 ATOM 107 ND1 HIS 7 2.020 -17.285 -9.411 1.00 43.14 ATOM 108 HD1 HIS 7 1.530 -17.324 -10.259 1.00 41.42 ATOM 109 CD2 HIS 7 3.626 -17.108 -7.942 1.00 51.05 ATOM 110 HD2 HIS 7 4.590 -16.987 -7.468 1.00 63.31 ATOM 111 CE1 HIS 7 1.472 -17.410 -8.216 1.00 72.11 ATOM 112 HE1 HIS 7 0.423 -17.571 -8.016 1.00 61.13 ATOM 113 NE2 HIS 7 2.425 -17.307 -7.307 1.00 72.04 ATOM 114 HE2 HIS 7 2.280 -17.268 -6.339 1.00 37.63 ATOM 115 C HIS 7 6.137 -15.592 -11.508 1.00 51.32 ATOM 116 O HIS 7 5.596 -15.020 -12.456 1.00 22.33 ATOM 117 N HIS 8 7.396 -16.017 -11.543 1.00 73.51 ATOM 118 HN HIS 8 7.779 -16.461 -10.752 1.00 37.63 ATOM 119 CA HIS 8 8.232 -15.834 -12.724 1.00 4.13 ATOM 120 HA HIS 8 7.723 -15.188 -13.429 1.00 72.14 ATOM 121 CB HIS 8 9.556 -15.172 -12.339 1.00 14.40 ATOM 122 HB1 HIS 8 9.348 -14.229 -11.854 1.00 37.63 ATOM 123 HB2 HIS 8 10.138 -14.989 -13.231 1.00 34.41 ATOM 124 CG HIS 8 10.389 -15.995 -11.406 1.00 33.31 ATOM 125 ND1 HIS 8 10.308 -15.891 -10.033 1.00 53.23 ATOM 126 HD1 HIS 8 9.716 -15.286 -9.539 1.00 60.25 ATOM 127 CD2 HIS 8 11.323 -16.943 -11.655 1.00 53.21 ATOM 128 HD2 HIS 8 11.645 -17.286 -12.628 1.00 44.54 ATOM 129 CE1 HIS 8 11.157 -16.737 -9.479 1.00 20.13 ATOM 130 HE1 HIS 8 11.311 -16.874 -8.419 1.00 73.50 ATOM 131 NE2 HIS 8 11.785 -17.388 -10.441 1.00 61.12 ATOM 132 HE2 HIS 8 12.533 -18.007 -10.309 1.00 37.63 ATOM 133 C HIS 8 8.499 -17.169 -13.413 1.00 44.51 ATOM 134 O HIS 8 8.541 -17.247 -14.641 1.00 1.41 ATOM 135 N SER 9 8.680 -18.216 -12.615 1.00 4.22 ATOM 136 HN SER 9 8.637 -18.108 -11.640 1.00 37.63 ATOM 137 CA SER 9 8.948 -19.546 -13.148 1.00 61.32 ATOM 138 HA SER 9 9.306 -19.455 -14.167 1.00 22.21 ATOM 139 CB SER 9 10.031 -20.242 -12.322 1.00 5.34 ATOM 140 HB1 SER 9 9.745 -20.237 -11.280 1.00 37.63 ATOM 141 HB2 SER 9 10.966 -19.714 -12.440 1.00 23.54 ATOM 142 OG SER 9 10.210 -21.584 -12.740 1.00 52.34 ATOM 143 HG SER 9 11.008 -21.940 -12.342 1.00 23.21 ATOM 144 C SER 9 7.679 -20.393 -13.159 1.00 12.22 ATOM 145 O SER 9 6.689 -20.056 -12.509 1.00 33.14 ATOM 146 N HIS 10 7.716 -21.494 -13.902 1.00 73.14 ATOM 147 HN HIS 10 8.536 -21.707 -14.410 1.00 37.63 ATOM 148 CA HIS 10 6.569 -22.390 -13.998 1.00 61.53 ATOM 149 HA HIS 10 6.169 -22.523 -12.996 1.00 61.34 ATOM 150 CB HIS 10 5.487 -21.776 -14.887 1.00 44.21 ATOM 151 HB1 HIS 10 5.756 -21.895 -15.929 1.00 37.63 ATOM 152 HB2 HIS 10 5.406 -20.721 -14.667 1.00 11.31 ATOM 153 CG HIS 10 4.132 -22.382 -14.687 1.00 43.51 ATOM 154 ND1 HIS 10 3.034 -21.652 -14.284 1.00 0.14 ATOM 155 HD1 HIS 10 3.024 -20.691 -14.092 1.00 13.22 ATOM 156 CD2 HIS 10 3.701 -23.655 -14.839 1.00 72.41 ATOM 157 HD2 HIS 10 4.298 -24.501 -15.149 1.00 61.54 ATOM 158 CE1 HIS 10 1.986 -22.451 -14.194 1.00 71.14 ATOM 159 HE1 HIS 10 0.990 -22.156 -13.900 1.00 54.14 ATOM 160 NE2 HIS 10 2.364 -23.672 -14.527 1.00 33.43 ATOM 161 HE2 HIS 10 1.806 -24.475 -14.458 1.00 37.63 ATOM 162 C HIS 10 6.987 -23.750 -14.551 1.00 51.34 ATOM 163 O HIS 10 7.422 -23.857 -15.697 1.00 44.34 ATOM 164 N MET 11 6.852 -24.785 -13.729 1.00 13.22 ATOM 165 HN MET 11 6.512 -24.639 -12.814 1.00 37.63 ATOM 166 CA MET 11 7.215 -26.137 -14.137 1.00 0.04 ATOM 167 HA MET 11 7.033 -26.223 -15.201 1.00 0.41 ATOM 168 CB MET 11 8.699 -26.393 -13.867 1.00 1.41 ATOM 169 HB1 MET 11 9.271 -25.908 -14.645 1.00 37.63 ATOM 170 HB2 MET 11 8.893 -27.450 -13.915 1.00 13.52 ATOM 171 CG MET 11 9.177 -25.845 -12.532 1.00 43.52 ATOM 172 HG1 MET 11 8.390 -25.954 -11.796 1.00 37.63 ATOM 173 HG2 MET 11 9.410 -24.798 -12.652 1.00 32.21 ATOM 174 SD MET 11 10.646 -26.692 -11.919 1.00 71.33 ATOM 175 CE MET 11 10.014 -28.355 -11.710 1.00 22.14 ATOM 176 HE1 MET 11 9.981 -28.853 -12.667 1.00 72.21 ATOM 177 HE2 MET 11 9.019 -28.313 -11.292 1.00 62.10 ATOM 178 HE3 MET 11 10.661 -28.904 -11.042 1.00 41.23 ATOM 179 C MET 11 6.367 -27.172 -13.404 1.00 4.02 ATOM 180 O MET 11 5.817 -26.914 -12.333 1.00 45.50 ATOM 181 N PRO 12 6.258 -28.372 -13.992 1.00 74.33 ATOM 182 CA PRO 12 5.478 -29.470 -13.412 1.00 64.10 ATOM 183 HA PRO 12 4.466 -29.164 -13.189 1.00 73.03 ATOM 184 CB PRO 12 5.463 -30.521 -14.525 1.00 53.10 ATOM 185 HB1 PRO 12 4.577 -30.384 -15.121 1.00 37.63 ATOM 186 HB2 PRO 12 5.470 -31.526 -14.122 1.00 70.01 ATOM 187 CG PRO 12 6.685 -30.239 -15.329 1.00 71.40 ATOM 188 HG1 PRO 12 6.534 -30.556 -16.350 1.00 37.63 ATOM 189 HG2 PRO 12 7.534 -30.750 -14.898 1.00 60.00 ATOM 190 CD PRO 12 6.886 -28.750 -15.269 1.00 61.41 ATOM 191 HD1 PRO 12 6.389 -28.270 -16.100 1.00 37.63 ATOM 192 HD2 PRO 12 7.935 -28.527 -15.282 1.00 43.31 ATOM 193 C PRO 12 6.125 -30.037 -12.153 1.00 31.51 ATOM 194 O PRO 12 6.769 -31.086 -12.193 1.00 34.13 ATOM 195 N ASP 13 5.949 -29.339 -11.037 1.00 11.41 ATOM 196 HN ASP 13 5.420 -28.506 -11.069 1.00 37.63 ATOM 197 CA ASP 13 6.514 -29.774 -9.765 1.00 41.00 ATOM 198 HA ASP 13 7.585 -29.869 -9.887 1.00 31.02 ATOM 199 CB ASP 13 6.233 -28.737 -8.676 1.00 63.23 ATOM 200 HB1 ASP 13 6.322 -27.743 -9.093 1.00 37.63 ATOM 201 HB2 ASP 13 6.957 -28.854 -7.884 1.00 2.31 ATOM 202 CG ASP 13 4.848 -28.886 -8.079 1.00 10.14 ATOM 203 OD1 ASP 13 4.704 -29.640 -7.093 1.00 44.40 ATOM 204 OD2 ASP 13 3.908 -28.248 -8.596 1.00 14.11 ATOM 205 C ASP 13 5.946 -31.129 -9.353 1.00 42.33 ATOM 206 O ASP 13 6.622 -31.925 -8.700 1.00 42.55 ATOM 207 N HIS 14 4.700 -31.384 -9.738 1.00 53.13 ATOM 208 HN HIS 14 4.197 -30.708 -10.249 1.00 37.63 ATOM 209 CA HIS 14 4.040 -32.643 -9.409 1.00 4.43 ATOM 210 HA HIS 14 4.177 -32.826 -8.347 1.00 62.12 ATOM 211 CB HIS 14 2.544 -32.552 -9.708 1.00 72.31 ATOM 212 HB1 HIS 14 2.127 -33.548 -9.797 1.00 37.63 ATOM 213 HB2 HIS 14 2.397 -32.026 -10.640 1.00 11.23 ATOM 214 CG HIS 14 1.763 -31.835 -8.650 1.00 24.11 ATOM 215 ND1 HIS 14 1.350 -30.526 -8.777 1.00 51.21 ATOM 216 HD1 HIS 14 1.519 -29.945 -9.548 1.00 53.34 ATOM 217 CD2 HIS 14 1.320 -32.253 -7.441 1.00 54.52 ATOM 218 HD2 HIS 14 1.463 -33.234 -7.009 1.00 15.14 ATOM 219 CE1 HIS 14 0.687 -30.168 -7.692 1.00 21.43 ATOM 220 HE1 HIS 14 0.246 -29.199 -7.512 1.00 44.52 ATOM 221 NE2 HIS 14 0.654 -31.198 -6.866 1.00 20.45 ATOM 222 HE2 HIS 14 0.149 -31.233 -6.027 1.00 37.63 ATOM 223 C HIS 14 4.658 -33.800 -10.188 1.00 2.22 ATOM 224 O HIS 14 4.980 -33.665 -11.368 1.00 34.44 ATOM 225 N GLY 15 4.822 -34.937 -9.518 1.00 61.15 ATOM 226 HN GLY 15 4.538 -35.003 -8.581 1.00 37.63 ATOM 227 CA GLY 15 5.402 -36.101 -10.164 1.00 13.43 ATOM 228 HA1 GLY 15 5.467 -36.903 -9.442 1.00 37.63 ATOM 229 HA2 GLY 15 6.401 -35.858 -10.502 1.00 64.43 ATOM 230 C GLY 15 4.585 -36.572 -11.350 1.00 62.35 ATOM 231 O GLY 15 4.886 -36.232 -12.495 1.00 4.34 ATOM 232 N ASP 16 3.550 -37.359 -11.079 1.00 21.40 ATOM 233 HN ASP 16 3.349 -37.600 -10.145 1.00 37.63 ATOM 234 CA ASP 16 2.688 -37.880 -12.134 1.00 13.44 ATOM 235 HA ASP 16 3.056 -37.533 -13.095 1.00 21.22 ATOM 236 CB ASP 16 2.698 -39.409 -12.122 1.00 62.05 ATOM 237 HB1 ASP 16 1.770 -39.789 -12.533 1.00 37.63 ATOM 238 HB2 ASP 16 2.801 -39.762 -11.106 1.00 52.50 ATOM 239 CG ASP 16 3.836 -39.986 -12.942 1.00 34.21 ATOM 240 OD1 ASP 16 4.784 -39.235 -13.253 1.00 31.10 ATOM 241 OD2 ASP 16 3.778 -41.189 -13.271 1.00 70.15 ATOM 242 C ASP 16 1.260 -37.367 -11.970 1.00 61.25 ATOM 243 O ASP 16 0.730 -37.321 -10.860 1.00 42.34 ATOM 244 N TRP 17 0.645 -36.983 -13.083 1.00 15.03 ATOM 245 HN TRP 17 1.115 -37.058 -13.948 1.00 37.63 ATOM 246 CA TRP 17 -0.722 -36.473 -13.063 1.00 3.55 ATOM 247 HA TRP 17 -0.864 -35.901 -12.153 1.00 11.22 ATOM 248 CB TRP 17 -0.960 -35.548 -14.258 1.00 32.15 ATOM 249 HB1 TRP 17 -1.929 -35.081 -14.156 1.00 37.63 ATOM 250 HB2 TRP 17 -0.935 -36.115 -15.176 1.00 50.00 ATOM 251 CG TRP 17 0.063 -34.460 -14.380 1.00 12.40 ATOM 252 CD1 TRP 17 0.787 -33.898 -13.368 1.00 11.35 ATOM 253 HD1 TRP 17 0.704 -34.182 -12.329 1.00 13.33 ATOM 254 CD2 TRP 17 0.473 -33.801 -15.583 1.00 43.21 ATOM 255 NE1 TRP 17 1.623 -32.929 -13.869 1.00 31.32 ATOM 256 HE1 TRP 17 2.243 -32.384 -13.341 1.00 63.42 ATOM 257 CE2 TRP 17 1.450 -32.851 -15.225 1.00 62.14 ATOM 258 CE3 TRP 17 0.112 -33.922 -16.928 1.00 25.14 ATOM 259 HE3 TRP 17 -0.633 -34.638 -17.244 1.00 12.24 ATOM 260 CZ2 TRP 17 2.067 -32.029 -16.164 1.00 43.32 ATOM 261 HZ2 TRP 17 2.812 -31.304 -15.884 1.00 4.33 ATOM 262 CZ3 TRP 17 0.726 -33.105 -17.858 1.00 74.01 ATOM 263 HZ3 TRP 17 0.459 -33.184 -18.902 1.00 22.10 ATOM 264 CH2 TRP 17 1.695 -32.169 -17.473 1.00 53.25 ATOM 265 HH2 TRP 17 2.148 -31.551 -18.234 1.00 21.40 ATOM 266 C TRP 17 -1.730 -37.616 -13.079 1.00 52.22 ATOM 267 O TRP 17 -2.413 -37.870 -12.086 1.00 60.12 ATOM 268 N THR 18 -1.820 -38.304 -14.213 1.00 41.02 ATOM 269 HN THR 18 -1.236 -38.082 -14.972 1.00 37.63 ATOM 270 CA THR 18 -2.746 -39.420 -14.359 1.00 10.21 ATOM 271 HA THR 18 -2.985 -39.809 -13.374 1.00 55.21 ATOM 272 CB THR 18 -4.066 -38.973 -15.015 1.00 42.54 ATOM 273 HB THR 18 -4.678 -38.491 -14.266 1.00 11.41 ATOM 274 OG1 THR 18 -4.766 -40.110 -15.531 1.00 53.24 ATOM 275 HG1 THR 18 -5.237 -40.549 -14.819 1.00 63.10 ATOM 276 CG2 THR 18 -3.803 -37.980 -16.138 1.00 64.30 ATOM 277 HG21 THR 18 -3.413 -37.061 -15.727 1.00 54.32 ATOM 278 HG22 THR 18 -4.730 -37.772 -16.651 1.00 21.20 ATOM 279 HG23 THR 18 -3.095 -38.390 -16.841 1.00 53.04 ATOM 280 C THR 18 -2.131 -40.539 -15.191 1.00 75.32 ATOM 281 O THR 18 -1.834 -40.357 -16.372 1.00 1.51 ATOM 282 N TYR 19 -1.945 -41.698 -14.569 1.00 65.03 ATOM 283 HN TYR 19 -2.194 -41.784 -13.618 1.00 37.63 ATOM 284 CA TYR 19 -1.363 -42.847 -15.253 1.00 74.30 ATOM 285 HA TYR 19 -1.788 -42.904 -16.249 1.00 34.13 ATOM 286 CB TYR 19 0.155 -42.693 -15.354 1.00 21.33 ATOM 287 HB1 TYR 19 0.625 -43.669 -15.396 1.00 37.63 ATOM 288 HB2 TYR 19 0.519 -42.178 -14.474 1.00 20.03 ATOM 289 CG TYR 19 0.606 -41.930 -16.578 1.00 44.22 ATOM 290 CD1 TYR 19 1.220 -40.688 -16.460 1.00 75.50 ATOM 291 HD1 TYR 19 1.375 -40.266 -15.477 1.00 11.23 ATOM 292 CD2 TYR 19 0.419 -42.449 -17.853 1.00 60.02 ATOM 293 HD2 TYR 19 -0.057 -43.413 -17.967 1.00 64.11 ATOM 294 CE1 TYR 19 1.633 -39.987 -17.576 1.00 10.10 ATOM 295 HE1 TYR 19 2.108 -39.024 -17.463 1.00 70.31 ATOM 296 CE2 TYR 19 0.831 -41.755 -18.975 1.00 34.24 ATOM 297 HE2 TYR 19 0.677 -42.176 -19.957 1.00 53.23 ATOM 298 CZ TYR 19 1.437 -40.525 -18.831 1.00 12.41 ATOM 299 OH TYR 19 1.847 -39.830 -19.946 1.00 11.34 ATOM 300 HH TYR 19 2.806 -39.857 -20.013 1.00 11.11 ATOM 301 C TYR 19 -1.707 -44.144 -14.527 1.00 33.31 ATOM 302 O TYR 19 -2.305 -44.126 -13.452 1.00 1.05 ATOM 303 N GLU 20 -1.324 -45.269 -15.124 1.00 11.41 ATOM 304 HN GLU 20 -0.850 -45.213 -15.983 1.00 37.63 ATOM 305 CA GLU 20 -1.592 -46.575 -14.535 1.00 22.25 ATOM 306 HA GLU 20 -2.365 -46.476 -13.782 1.00 44.41 ATOM 307 CB GLU 20 -2.091 -47.549 -15.604 1.00 34.12 ATOM 308 HB1 GLU 20 -2.985 -47.132 -16.049 1.00 37.63 ATOM 309 HB2 GLU 20 -2.341 -48.491 -15.134 1.00 43.52 ATOM 310 CG GLU 20 -1.078 -47.818 -16.703 1.00 63.13 ATOM 311 HG1 GLU 20 -0.380 -48.562 -16.349 1.00 37.63 ATOM 312 HG2 GLU 20 -0.541 -46.914 -16.942 1.00 4.13 ATOM 313 CD GLU 20 -1.720 -48.337 -17.975 1.00 54.41 ATOM 314 OE1 GLU 20 -1.633 -47.642 -19.009 1.00 41.42 ATOM 315 OE2 GLU 20 -2.311 -49.436 -17.937 1.00 22.13 ATOM 316 C GLU 20 -0.341 -47.136 -13.864 1.00 61.44 ATOM 317 O GLU 20 -0.429 -47.946 -12.942 1.00 72.12 ATOM 318 N GLU 21 0.823 -46.700 -14.336 1.00 53.34 ATOM 319 HN GLU 21 0.838 -46.044 -15.064 1.00 37.63 ATOM 320 CA GLU 21 2.091 -47.160 -13.784 1.00 3.42 ATOM 321 HA GLU 21 2.133 -48.236 -13.887 1.00 1.51 ATOM 322 CB GLU 21 3.261 -46.546 -14.556 1.00 5.05 ATOM 323 HB1 GLU 21 4.187 -46.940 -14.158 1.00 37.63 ATOM 324 HB2 GLU 21 3.244 -45.476 -14.400 1.00 2.23 ATOM 325 CG GLU 21 3.228 -46.838 -16.046 1.00 75.22 ATOM 326 HG1 GLU 21 2.209 -46.931 -16.390 1.00 37.63 ATOM 327 HG2 GLU 21 3.744 -47.770 -16.221 1.00 33.24 ATOM 328 CD GLU 21 3.908 -45.760 -16.868 1.00 33.33 ATOM 329 OE1 GLU 21 3.829 -44.577 -16.474 1.00 63.44 ATOM 330 OE2 GLU 21 4.518 -46.099 -17.903 1.00 52.11 ATOM 331 C GLU 21 2.201 -46.804 -12.304 1.00 42.40 ATOM 332 O GLU 21 1.432 -45.990 -11.793 1.00 23.13 ATOM 333 N GLN 22 3.162 -47.420 -11.623 1.00 41.41 ATOM 334 HN GLN 22 3.759 -48.054 -12.086 1.00 37.63 ATOM 335 CA GLN 22 3.372 -47.169 -10.202 1.00 52.21 ATOM 336 HA GLN 22 2.503 -46.657 -9.801 1.00 33.43 ATOM 337 CB GLN 22 3.533 -48.490 -9.448 1.00 1.22 ATOM 338 HB1 GLN 22 4.266 -49.096 -9.961 1.00 37.63 ATOM 339 HB2 GLN 22 2.586 -49.011 -9.449 1.00 23.10 ATOM 340 CG GLN 22 3.986 -48.316 -8.007 1.00 63.42 ATOM 341 HG1 GLN 22 4.944 -47.819 -7.981 1.00 37.63 ATOM 342 HG2 GLN 22 4.092 -49.299 -7.569 1.00 44.44 ATOM 343 CD GLN 22 2.990 -47.537 -7.172 1.00 1.32 ATOM 344 OE1 GLN 22 1.778 -47.665 -7.350 1.00 4.23 ATOM 345 NE2 GLN 22 3.496 -46.722 -6.253 1.00 65.33 ATOM 346 HE21 GLN 22 4.473 -46.659 -6.154 1.00 20.32 ATOM 347 HE22 GLN 22 2.867 -46.210 -5.703 1.00 14.31 ATOM 348 C GLN 22 4.598 -46.290 -9.980 1.00 10.44 ATOM 349 O GLN 22 5.580 -46.378 -10.716 1.00 63.54 ATOM 350 N PHE 23 4.534 -45.441 -8.959 1.00 52.53 ATOM 351 HN PHE 23 3.707 -45.382 -8.433 1.00 37.63 ATOM 352 CA PHE 23 5.639 -44.544 -8.640 1.00 54.35 ATOM 353 HA PHE 23 5.925 -44.043 -9.557 1.00 10.21 ATOM 354 CB PHE 23 5.200 -43.508 -7.603 1.00 54.14 ATOM 355 HB1 PHE 23 5.408 -43.857 -6.599 1.00 37.63 ATOM 356 HB2 PHE 23 4.131 -43.357 -7.695 1.00 70.21 ATOM 357 CG PHE 23 5.841 -42.163 -7.791 1.00 4.15 ATOM 358 CD1 PHE 23 5.734 -41.491 -8.998 1.00 23.43 ATOM 359 HD1 PHE 23 5.182 -41.940 -9.813 1.00 70.51 ATOM 360 CD2 PHE 23 6.552 -41.570 -6.759 1.00 63.43 ATOM 361 HD2 PHE 23 6.653 -42.083 -5.815 1.00 10.32 ATOM 362 CE1 PHE 23 6.323 -40.253 -9.173 1.00 64.41 ATOM 363 HE1 PHE 23 6.232 -39.740 -10.119 1.00 34.34 ATOM 364 CE2 PHE 23 7.143 -40.333 -6.929 1.00 1.53 ATOM 365 HE2 PHE 23 7.694 -39.885 -6.135 1.00 0.45 ATOM 366 CZ PHE 23 7.030 -39.674 -8.137 1.00 53.24 ATOM 367 HZ PHE 23 7.491 -38.707 -8.271 1.00 61.41 ATOM 368 C PHE 23 6.840 -45.325 -8.118 1.00 23.51 ATOM 369 O PHE 23 6.990 -45.524 -6.912 1.00 43.30 ATOM 370 N LYS 24 7.694 -45.768 -9.034 1.00 65.14 ATOM 371 HN LYS 24 7.524 -45.571 -9.987 1.00 37.63 ATOM 372 CA LYS 24 8.884 -46.528 -8.669 1.00 0.13 ATOM 373 HA LYS 24 8.585 -47.304 -7.972 1.00 63.51 ATOM 374 CB LYS 24 9.500 -47.179 -9.909 1.00 40.43 ATOM 375 HB1 LYS 24 10.157 -46.470 -10.398 1.00 37.63 ATOM 376 HB2 LYS 24 8.707 -47.430 -10.601 1.00 22.20 ATOM 377 CG LYS 24 10.306 -48.429 -9.604 1.00 35.54 ATOM 378 HG1 LYS 24 10.768 -48.333 -8.629 1.00 37.63 ATOM 379 HG2 LYS 24 11.082 -48.533 -10.350 1.00 12.21 ATOM 380 CD LYS 24 9.430 -49.672 -9.610 1.00 44.32 ATOM 381 HD1 LYS 24 8.504 -49.470 -9.087 1.00 37.63 ATOM 382 HD2 LYS 24 9.958 -50.468 -9.106 1.00 24.41 ATOM 383 CE LYS 24 9.113 -50.122 -11.028 1.00 33.12 ATOM 384 HE1 LYS 24 10.038 -50.245 -11.576 1.00 37.63 ATOM 385 HE2 LYS 24 8.509 -49.368 -11.509 1.00 1.04 ATOM 386 NZ LYS 24 8.372 -51.414 -11.046 1.00 65.15 ATOM 387 HZ1 LYS 24 7.470 -51.321 -10.534 1.00 71.03 ATOM 388 HZ2 LYS 24 8.938 -52.163 -10.596 1.00 71.33 ATOM 389 HZ3 LYS 24 8.171 -51.694 -12.028 1.00 60.52 ATOM 390 C LYS 24 9.914 -45.632 -7.987 1.00 74.13 ATOM 391 O LYS 24 10.874 -46.118 -7.391 1.00 60.51 ATOM 392 N GLN 25 9.705 -44.323 -8.079 1.00 41.30 ATOM 393 HN GLN 25 8.962 -43.978 -8.615 1.00 37.63 ATOM 394 CA GLN 25 10.616 -43.360 -7.470 1.00 74.22 ATOM 395 HA GLN 25 11.553 -43.440 -7.994 1.00 41.30 ATOM 396 CB GLN 25 10.055 -41.943 -7.600 1.00 34.01 ATOM 397 HB1 GLN 25 9.404 -41.736 -6.765 1.00 37.63 ATOM 398 HB2 GLN 25 9.480 -41.870 -8.513 1.00 24.35 ATOM 399 CG GLN 25 11.126 -40.866 -7.639 1.00 44.35 ATOM 400 HG1 GLN 25 11.682 -40.895 -6.712 1.00 37.63 ATOM 401 HG2 GLN 25 10.643 -39.904 -7.735 1.00 63.13 ATOM 402 CD GLN 25 12.086 -41.039 -8.800 1.00 70.52 ATOM 403 OE1 GLN 25 11.793 -40.642 -9.928 1.00 54.11 ATOM 404 NE2 GLN 25 13.241 -41.636 -8.530 1.00 1.04 ATOM 405 HE21 GLN 25 13.423 -41.935 -7.610 1.00 40.30 ATOM 406 HE22 GLN 25 13.875 -41.757 -9.268 1.00 65.01 ATOM 407 C GLN 25 10.856 -43.692 -6.001 1.00 71.11 ATOM 408 O GLN 25 11.998 -43.847 -5.567 1.00 44.44 ATOM 409 N LEU 26 9.773 -43.800 -5.239 1.00 71.25 ATOM 410 HN LEU 26 8.884 -43.659 -5.645 1.00 37.63 ATOM 411 CA LEU 26 9.866 -44.114 -3.818 1.00 14.22 ATOM 412 HA LEU 26 10.363 -43.296 -3.347 1.00 25.32 ATOM 413 CB LEU 26 8.467 -44.276 -3.219 1.00 24.11 ATOM 414 HB1 LEU 26 8.500 -45.047 -2.455 1.00 37.63 ATOM 415 HB2 LEU 26 7.800 -44.616 -4.002 1.00 3.22 ATOM 416 CG LEU 26 7.859 -43.024 -2.586 1.00 72.21 ATOM 417 HG LEU 26 7.786 -42.249 -3.335 1.00 51.51 ATOM 418 CD1 LEU 26 6.457 -43.313 -2.073 1.00 33.20 ATOM 419 HD11 LEU 26 6.510 -43.913 -1.174 1.00 43.42 ATOM 420 HD12 LEU 26 5.898 -43.854 -2.821 1.00 63.41 ATOM 421 HD13 LEU 26 5.956 -42.382 -1.853 1.00 34.13 ATOM 422 CD2 LEU 26 8.745 -42.511 -1.461 1.00 3.32 ATOM 423 HD21 LEU 26 9.202 -43.332 -0.924 1.00 25.34 ATOM 424 HD22 LEU 26 8.156 -41.918 -0.776 1.00 50.41 ATOM 425 HD23 LEU 26 9.504 -41.887 -1.888 1.00 4.42 ATOM 426 C LEU 26 10.678 -45.385 -3.592 1.00 44.33 ATOM 427 O LEU 26 11.304 -45.556 -2.546 1.00 4.11 ATOM 428 N TYR 27 10.666 -46.272 -4.581 1.00 11.31 ATOM 429 HN TYR 27 10.121 -46.113 -5.375 1.00 37.63 ATOM 430 CA TYR 27 11.402 -47.527 -4.491 1.00 33.34 ATOM 431 HA TYR 27 11.379 -47.870 -3.461 1.00 51.12 ATOM 432 CB TYR 27 10.750 -48.590 -5.377 1.00 14.30 ATOM 433 HB1 TYR 27 11.419 -49.440 -5.470 1.00 37.63 ATOM 434 HB2 TYR 27 10.578 -48.180 -6.357 1.00 41.14 ATOM 435 CG TYR 27 9.426 -49.092 -4.846 1.00 22.43 ATOM 436 CD1 TYR 27 9.314 -50.364 -4.298 1.00 35.25 ATOM 437 HD1 TYR 27 10.187 -50.995 -4.256 1.00 55.42 ATOM 438 CD2 TYR 27 8.289 -48.296 -4.893 1.00 34.32 ATOM 439 HD2 TYR 27 8.352 -47.306 -5.317 1.00 45.15 ATOM 440 CE1 TYR 27 8.106 -50.828 -3.812 1.00 24.25 ATOM 441 HE1 TYR 27 8.037 -51.818 -3.389 1.00 5.23 ATOM 442 CE2 TYR 27 7.078 -48.751 -4.408 1.00 32.41 ATOM 443 HE2 TYR 27 6.206 -48.116 -4.452 1.00 34.31 ATOM 444 CZ TYR 27 6.992 -50.018 -3.868 1.00 53.15 ATOM 445 OH TYR 27 5.787 -50.475 -3.386 1.00 20.43 ATOM 446 HH TYR 27 5.198 -50.678 -4.119 1.00 43.51 ATOM 447 C TYR 27 12.860 -47.335 -4.897 1.00 14.21 ATOM 448 O TYR 27 13.748 -48.035 -4.411 1.00 54.43 ATOM 449 N GLU 28 13.097 -46.380 -5.791 1.00 31.00 ATOM 450 HN GLU 28 12.355 -45.866 -6.169 1.00 37.63 ATOM 451 CA GLU 28 14.447 -46.095 -6.263 1.00 73.02 ATOM 452 HA GLU 28 15.078 -46.957 -6.079 1.00 64.41 ATOM 453 CB GLU 28 14.437 -45.821 -7.769 1.00 0.04 ATOM 454 HB1 GLU 28 15.445 -45.574 -8.085 1.00 37.63 ATOM 455 HB2 GLU 28 13.790 -44.978 -7.967 1.00 22.25 ATOM 456 CG GLU 28 13.949 -46.997 -8.598 1.00 50.32 ATOM 457 HG1 GLU 28 12.880 -47.085 -8.480 1.00 37.63 ATOM 458 HG2 GLU 28 14.424 -47.902 -8.243 1.00 55.43 ATOM 459 CD GLU 28 14.261 -46.839 -10.074 1.00 24.34 ATOM 460 OE1 GLU 28 13.988 -45.752 -10.625 1.00 32.34 ATOM 461 OE2 GLU 28 14.779 -47.802 -10.677 1.00 71.21 ATOM 462 C GLU 28 15.042 -44.901 -5.522 1.00 32.43 ATOM 463 O GLU 28 15.844 -44.149 -6.076 1.00 52.41 ATOM 464 N LEU 29 14.643 -44.735 -4.266 1.00 3.55 ATOM 465 HN LEU 29 14.034 -45.377 -3.852 1.00 37.63 ATOM 466 CA LEU 29 15.136 -43.632 -3.447 1.00 21.44 ATOM 467 HA LEU 29 15.156 -42.737 -4.055 1.00 64.10 ATOM 468 CB LEU 29 14.209 -43.405 -2.251 1.00 51.14 ATOM 469 HB1 LEU 29 14.729 -42.805 -1.511 1.00 37.63 ATOM 470 HB2 LEU 29 14.000 -44.364 -1.819 1.00 41.44 ATOM 471 CG LEU 29 12.874 -42.725 -2.557 1.00 41.53 ATOM 472 HG LEU 29 12.380 -43.281 -3.319 1.00 54.40 ATOM 473 CD1 LEU 29 11.989 -42.705 -1.321 1.00 3.45 ATOM 474 HD11 LEU 29 11.348 -41.848 -1.345 1.00 0.23 ATOM 475 HD12 LEU 29 12.595 -42.658 -0.425 1.00 53.04 ATOM 476 HD13 LEU 29 11.386 -43.594 -1.292 1.00 30.10 ATOM 477 CD2 LEU 29 13.102 -41.312 -3.075 1.00 50.12 ATOM 478 HD21 LEU 29 13.207 -41.351 -4.149 1.00 63.33 ATOM 479 HD22 LEU 29 14.006 -40.899 -2.657 1.00 13.33 ATOM 480 HD23 LEU 29 12.266 -40.669 -2.830 1.00 24.42 ATOM 481 C LEU 29 16.555 -43.908 -2.959 1.00 33.31 ATOM 482 O LEU 29 17.454 -43.086 -3.137 1.00 32.34 ATOM 483 N ASP 30 16.748 -45.071 -2.345 1.00 42.45 ATOM 484 HN ASP 30 15.998 -45.691 -2.242 1.00 37.63 ATOM 485 CA ASP 30 18.058 -45.457 -1.835 1.00 5.00 ATOM 486 HA ASP 30 18.769 -44.661 -2.025 1.00 32.15 ATOM 487 CB ASP 30 17.991 -45.699 -0.326 1.00 54.13 ATOM 488 HB1 ASP 30 18.934 -46.114 0.010 1.00 37.63 ATOM 489 HB2 ASP 30 17.213 -46.404 -0.120 1.00 75.40 ATOM 490 CG ASP 30 17.738 -44.424 0.454 1.00 41.32 ATOM 491 OD1 ASP 30 18.547 -44.107 1.351 1.00 10.41 ATOM 492 OD2 ASP 30 16.732 -43.742 0.166 1.00 30.34 ATOM 493 C ASP 30 18.569 -46.709 -2.541 1.00 22.10 ATOM 494 O ASP 30 19.760 -46.832 -2.825 1.00 52.13 ATOM 495 N GLY 31 17.659 -47.638 -2.820 1.00 44.23 ATOM 496 HN GLY 31 16.725 -47.520 -2.552 1.00 37.63 ATOM 497 CA GLY 31 18.037 -48.869 -3.489 1.00 42.14 ATOM 498 HA1 GLY 31 18.869 -48.690 -4.160 1.00 37.63 ATOM 499 HA2 GLY 31 17.195 -49.211 -4.074 1.00 51.32 ATOM 500 C GLY 31 18.419 -49.965 -2.515 1.00 31.05 ATOM 501 O GLY 31 19.540 -50.472 -2.548 1.00 3.01 ATOM 502 N ASP 32 17.485 -50.331 -1.643 1.00 44.30 ATOM 503 HN ASP 32 16.603 -49.894 -1.658 1.00 37.63 ATOM 504 CA ASP 32 17.730 -51.374 -0.653 1.00 52.44 ATOM 505 HA ASP 32 18.739 -51.741 -0.795 1.00 35.32 ATOM 506 CB ASP 32 17.594 -50.807 0.761 1.00 53.44 ATOM 507 HB1 ASP 32 17.022 -51.486 1.383 1.00 37.63 ATOM 508 HB2 ASP 32 17.080 -49.857 0.723 1.00 13.35 ATOM 509 CG ASP 32 18.937 -50.585 1.427 1.00 1.12 ATOM 510 OD1 ASP 32 19.175 -51.183 2.498 1.00 73.24 ATOM 511 OD2 ASP 32 19.751 -49.814 0.878 1.00 2.32 ATOM 512 C ASP 32 16.764 -52.539 -0.843 1.00 21.35 ATOM 513 O ASP 32 15.668 -52.388 -1.381 1.00 54.25 ATOM 514 N PRO 33 17.180 -53.732 -0.390 1.00 55.32 ATOM 515 CA PRO 33 16.367 -54.947 -0.499 1.00 15.41 ATOM 516 HA PRO 33 16.051 -55.122 -1.514 1.00 24.43 ATOM 517 CB PRO 33 17.329 -56.057 -0.070 1.00 12.03 ATOM 518 HB1 PRO 33 17.807 -56.472 -0.945 1.00 37.63 ATOM 519 HB2 PRO 33 16.802 -56.843 0.458 1.00 40.21 ATOM 520 CG PRO 33 18.323 -55.378 0.809 1.00 74.54 ATOM 521 HG1 PRO 33 19.267 -55.901 0.769 1.00 37.63 ATOM 522 HG2 PRO 33 17.954 -55.345 1.824 1.00 45.33 ATOM 523 CD PRO 33 18.475 -53.986 0.263 1.00 53.42 ATOM 524 HD1 PRO 33 19.283 -53.947 -0.453 1.00 37.63 ATOM 525 HD2 PRO 33 18.649 -53.294 1.069 1.00 12.25 ATOM 526 C PRO 33 15.149 -54.913 0.418 1.00 33.22 ATOM 527 O PRO 33 14.175 -55.635 0.201 1.00 0.14 ATOM 528 N LYS 34 15.209 -54.071 1.444 1.00 41.43 ATOM 529 HN LYS 34 16.011 -53.522 1.587 1.00 37.63 ATOM 530 CA LYS 34 14.111 -53.941 2.394 1.00 52.01 ATOM 531 HA LYS 34 13.508 -54.842 2.366 1.00 60.21 ATOM 532 CB LYS 34 14.655 -53.773 3.814 1.00 20.53 ATOM 533 HB1 LYS 34 13.826 -53.642 4.497 1.00 37.63 ATOM 534 HB2 LYS 34 15.267 -52.879 3.840 1.00 21.11 ATOM 535 CG LYS 34 15.516 -54.936 4.277 1.00 62.03 ATOM 536 HG1 LYS 34 16.461 -54.546 4.633 1.00 37.63 ATOM 537 HG2 LYS 34 15.705 -55.607 3.447 1.00 42.34 ATOM 538 CD LYS 34 14.839 -55.726 5.384 1.00 1.34 ATOM 539 HD1 LYS 34 15.017 -56.777 5.208 1.00 37.63 ATOM 540 HD2 LYS 34 13.772 -55.545 5.387 1.00 13.44 ATOM 541 CE LYS 34 15.404 -55.367 6.750 1.00 24.11 ATOM 542 HE1 LYS 34 15.170 -54.334 6.962 1.00 37.63 ATOM 543 HE2 LYS 34 16.478 -55.497 6.734 1.00 34.31 ATOM 544 NZ LYS 34 14.836 -56.223 7.828 1.00 71.21 ATOM 545 HZ1 LYS 34 15.056 -57.225 7.648 1.00 12.02 ATOM 546 HZ2 LYS 34 13.802 -56.109 7.875 1.00 21.11 ATOM 547 HZ3 LYS 34 15.242 -55.952 8.747 1.00 32.22 ATOM 548 C LYS 34 13.219 -52.756 2.037 1.00 44.13 ATOM 549 O LYS 34 12.139 -52.587 2.602 1.00 20.13 ATOM 550 N ARG 35 13.678 -51.939 1.094 1.00 4.13 ATOM 551 HN ARG 35 14.550 -52.108 0.681 1.00 37.63 ATOM 552 CA ARG 35 12.922 -50.770 0.662 1.00 50.11 ATOM 553 HA ARG 35 12.802 -50.127 1.519 1.00 35.02 ATOM 554 CB ARG 35 13.682 -50.021 -0.435 1.00 30.25 ATOM 555 HB1 ARG 35 13.832 -50.675 -1.279 1.00 37.63 ATOM 556 HB2 ARG 35 14.648 -49.732 -0.049 1.00 52.21 ATOM 557 CG ARG 35 12.972 -48.768 -0.921 1.00 31.40 ATOM 558 HG1 ARG 35 12.073 -49.049 -1.449 1.00 37.63 ATOM 559 HG2 ARG 35 13.630 -48.234 -1.591 1.00 23.11 ATOM 560 CD ARG 35 12.604 -47.852 0.235 1.00 33.25 ATOM 561 HD1 ARG 35 11.776 -48.296 0.769 1.00 37.63 ATOM 562 HD2 ARG 35 12.288 -46.896 -0.156 1.00 5.01 ATOM 563 NE ARG 35 13.714 -47.673 1.167 1.00 44.55 ATOM 564 HE ARG 35 13.737 -48.241 1.956 1.00 42.22 ATOM 565 CZ ARG 35 14.702 -46.806 0.973 1.00 5.13 ATOM 566 NH1 ARG 35 14.717 -46.044 -0.111 1.00 44.43 ATOM 567 HH11 ARG 35 14.013 -46.129 -0.808 1.00 21.35 ATOM 568 HH12 ARG 35 15.391 -45.331 -0.204 1.00 10.12 ATOM 569 NH2 ARG 35 15.678 -46.700 1.867 1.00 60.25 ATOM 570 HH21 ARG 35 15.682 -47.290 2.668 1.00 70.15 ATOM 571 HH22 ARG 35 16.374 -46.012 1.777 1.00 21.02 ATOM 572 C ARG 35 11.541 -51.173 0.154 1.00 70.54 ATOM 573 O ARG 35 10.522 -50.842 0.761 1.00 65.21 ATOM 574 N LYS 36 11.514 -51.891 -0.965 1.00 1.53 ATOM 575 HN LYS 36 12.351 -52.089 -1.421 1.00 37.63 ATOM 576 CA LYS 36 10.259 -52.341 -1.556 1.00 4.44 ATOM 577 HA LYS 36 9.712 -51.471 -1.857 1.00 35.11 ATOM 578 CB LYS 36 10.534 -53.220 -2.778 1.00 11.04 ATOM 579 HB1 LYS 36 11.294 -52.763 -3.387 1.00 37.63 ATOM 580 HB2 LYS 36 9.624 -53.276 -3.359 1.00 33.20 ATOM 581 CG LYS 36 10.936 -54.642 -2.426 1.00 2.21 ATOM 582 HG1 LYS 36 10.917 -55.233 -3.329 1.00 37.63 ATOM 583 HG2 LYS 36 10.239 -55.073 -1.728 1.00 41.14 ATOM 584 CD LYS 36 12.335 -54.696 -1.836 1.00 4.44 ATOM 585 HD1 LYS 36 12.564 -55.728 -1.619 1.00 37.63 ATOM 586 HD2 LYS 36 12.384 -54.131 -0.931 1.00 11.41 ATOM 587 CE LYS 36 13.375 -54.175 -2.817 1.00 14.13 ATOM 588 HE1 LYS 36 14.351 -54.393 -2.425 1.00 37.63 ATOM 589 HE2 LYS 36 13.272 -53.110 -2.927 1.00 54.24 ATOM 590 NZ LYS 36 13.245 -54.816 -4.154 1.00 60.53 ATOM 591 HZ1 LYS 36 12.435 -54.417 -4.670 1.00 71.01 ATOM 592 HZ2 LYS 36 13.112 -55.846 -4.062 1.00 32.01 ATOM 593 HZ3 LYS 36 14.107 -54.645 -4.710 1.00 65.41 ATOM 594 C LYS 36 9.425 -53.112 -0.538 1.00 72.02 ATOM 595 O LYS 36 8.198 -53.144 -0.626 1.00 12.44 ATOM 596 N GLU 37 10.099 -53.731 0.426 1.00 33.10 ATOM 597 HN GLU 37 11.075 -53.701 0.445 1.00 37.63 ATOM 598 CA GLU 37 9.417 -54.501 1.460 1.00 65.41 ATOM 599 HA GLU 37 8.711 -55.168 0.979 1.00 64.30 ATOM 600 CB GLU 37 10.425 -55.337 2.252 1.00 3.10 ATOM 601 HB1 GLU 37 9.916 -55.793 3.094 1.00 37.63 ATOM 602 HB2 GLU 37 11.202 -54.696 2.623 1.00 11.22 ATOM 603 CG GLU 37 11.072 -56.445 1.437 1.00 14.51 ATOM 604 HG1 GLU 37 11.727 -55.998 0.703 1.00 37.63 ATOM 605 HG2 GLU 37 10.299 -57.009 0.933 1.00 53.24 ATOM 606 CD GLU 37 11.880 -57.402 2.291 1.00 0.44 ATOM 607 OE1 GLU 37 11.362 -57.844 3.338 1.00 11.44 ATOM 608 OE2 GLU 37 13.030 -57.708 1.914 1.00 70.42 ATOM 609 C GLU 37 8.648 -53.583 2.405 1.00 52.35 ATOM 610 O GLU 37 7.476 -53.819 2.700 1.00 3.15 ATOM 611 N PHE 38 9.315 -52.534 2.875 1.00 23.41 ATOM 612 HN PHE 38 10.254 -52.396 2.602 1.00 37.63 ATOM 613 CA PHE 38 8.696 -51.580 3.788 1.00 73.44 ATOM 614 HA PHE 38 8.299 -52.128 4.633 1.00 30.44 ATOM 615 CB PHE 38 9.736 -50.580 4.297 1.00 74.31 ATOM 616 HB1 PHE 38 10.211 -50.107 3.447 1.00 37.63 ATOM 617 HB2 PHE 38 10.489 -51.117 4.860 1.00 3.22 ATOM 618 CG PHE 38 9.156 -49.507 5.174 1.00 61.15 ATOM 619 CD1 PHE 38 8.618 -48.357 4.619 1.00 10.13 ATOM 620 HD1 PHE 38 8.616 -48.233 3.546 1.00 75.30 ATOM 621 CD2 PHE 38 9.150 -49.648 6.552 1.00 61.31 ATOM 622 HD2 PHE 38 9.566 -50.540 7.000 1.00 23.44 ATOM 623 CE1 PHE 38 8.084 -47.368 5.423 1.00 14.51 ATOM 624 HE1 PHE 38 7.668 -46.476 4.978 1.00 51.22 ATOM 625 CE2 PHE 38 8.617 -48.663 7.361 1.00 53.44 ATOM 626 HE2 PHE 38 8.623 -48.784 8.427 1.00 65.34 ATOM 627 CZ PHE 38 8.084 -47.520 6.796 1.00 70.33 ATOM 628 HZ PHE 38 7.659 -46.756 7.419 1.00 4.04 ATOM 629 C PHE 38 7.552 -50.838 3.103 1.00 13.35 ATOM 630 O PHE 38 6.488 -50.635 3.691 1.00 4.24 ATOM 631 N LEU 39 7.778 -50.434 1.858 1.00 14.13 ATOM 632 HN LEU 39 8.653 -50.616 1.439 1.00 37.63 ATOM 633 CA LEU 39 6.767 -49.713 1.093 1.00 53.25 ATOM 634 HA LEU 39 6.451 -48.858 1.669 1.00 61.22 ATOM 635 CB LEU 39 7.349 -49.241 -0.241 1.00 1.11 ATOM 636 HB1 LEU 39 6.549 -48.823 -0.833 1.00 37.63 ATOM 637 HB2 LEU 39 7.738 -50.106 -0.760 1.00 52.34 ATOM 638 CG LEU 39 8.464 -48.198 -0.155 1.00 12.21 ATOM 639 HG LEU 39 9.328 -48.643 0.318 1.00 34.43 ATOM 640 CD1 LEU 39 8.875 -47.739 -1.546 1.00 35.54 ATOM 641 HD11 LEU 39 9.677 -47.021 -1.466 1.00 32.13 ATOM 642 HD12 LEU 39 8.032 -47.281 -2.045 1.00 62.43 ATOM 643 HD13 LEU 39 9.215 -48.589 -2.122 1.00 25.13 ATOM 644 CD2 LEU 39 8.021 -47.012 0.690 1.00 32.32 ATOM 645 HD21 LEU 39 7.091 -46.615 0.307 1.00 60.14 ATOM 646 HD22 LEU 39 8.778 -46.239 0.657 1.00 31.22 ATOM 647 HD23 LEU 39 7.886 -47.321 1.712 1.00 11.43 ATOM 648 C LEU 39 5.543 -50.589 0.844 1.00 24.53 ATOM 649 O LEU 39 4.427 -50.236 1.224 1.00 72.21 ATOM 650 N ASP 40 5.762 -51.734 0.207 1.00 21.42 ATOM 651 HN ASP 40 6.681 -51.960 -0.076 1.00 37.63 ATOM 652 CA ASP 40 4.678 -52.664 -0.089 1.00 1.12 ATOM 653 HA ASP 40 4.013 -52.174 -0.787 1.00 3.42 ATOM 654 CB ASP 40 5.231 -53.940 -0.725 1.00 23.00 ATOM 655 HB1 ASP 40 5.726 -54.542 0.026 1.00 37.63 ATOM 656 HB2 ASP 40 5.947 -53.669 -1.488 1.00 30.14 ATOM 657 CG ASP 40 4.149 -54.777 -1.378 1.00 63.24 ATOM 658 OD1 ASP 40 4.382 -55.985 -1.594 1.00 23.33 ATOM 659 OD2 ASP 40 3.069 -54.225 -1.674 1.00 3.44 ATOM 660 C ASP 40 3.897 -53.008 1.176 1.00 62.34 ATOM 661 O ASP 40 2.670 -52.916 1.204 1.00 72.15 ATOM 662 N ASP 41 4.617 -53.406 2.219 1.00 34.20 ATOM 663 HN ASP 41 5.600 -53.460 2.135 1.00 37.63 ATOM 664 CA ASP 41 3.991 -53.765 3.487 1.00 44.32 ATOM 665 HA ASP 41 3.274 -54.553 3.291 1.00 71.50 ATOM 666 CB ASP 41 5.043 -54.278 4.471 1.00 22.24 ATOM 667 HB1 ASP 41 5.627 -53.450 4.853 1.00 37.63 ATOM 668 HB2 ASP 41 5.700 -54.963 3.955 1.00 21.51 ATOM 669 CG ASP 41 4.428 -55.019 5.642 1.00 34.10 ATOM 670 OD1 ASP 41 4.346 -54.431 6.741 1.00 44.43 ATOM 671 OD2 ASP 41 4.026 -56.187 5.459 1.00 21.23 ATOM 672 C ASP 41 3.255 -52.571 4.087 1.00 43.35 ATOM 673 O ASP 41 2.165 -52.715 4.641 1.00 12.30 ATOM 674 N LEU 42 3.858 -51.393 3.973 1.00 43.42 ATOM 675 HN LEU 42 4.739 -51.338 3.532 1.00 37.63 ATOM 676 CA LEU 42 3.261 -50.173 4.505 1.00 52.33 ATOM 677 HA LEU 42 3.136 -50.297 5.572 1.00 32.04 ATOM 678 CB LEU 42 4.182 -48.978 4.252 1.00 1.03 ATOM 679 HB1 LEU 42 4.394 -48.947 3.196 1.00 37.63 ATOM 680 HB2 LEU 42 5.110 -49.157 4.776 1.00 14.31 ATOM 681 CG LEU 42 3.644 -47.613 4.682 1.00 51.31 ATOM 682 HG LEU 42 2.592 -47.561 4.507 1.00 31.43 ATOM 683 CD1 LEU 42 3.869 -47.394 6.170 1.00 32.40 ATOM 684 HD11 LEU 42 4.927 -47.306 6.374 1.00 50.54 ATOM 685 HD12 LEU 42 3.466 -48.230 6.726 1.00 73.11 ATOM 686 HD13 LEU 42 3.366 -46.494 6.479 1.00 20.22 ATOM 687 CD2 LEU 42 4.299 -46.503 3.873 1.00 0.41 ATOM 688 HD21 LEU 42 4.105 -46.659 2.821 1.00 32.44 ATOM 689 HD22 LEU 42 5.367 -46.506 4.045 1.00 33.23 ATOM 690 HD23 LEU 42 3.891 -45.547 4.172 1.00 35.23 ATOM 691 C LEU 42 1.894 -49.917 3.877 1.00 63.12 ATOM 692 O LEU 42 0.911 -49.683 4.579 1.00 33.13 ATOM 693 N PHE 43 1.840 -49.966 2.550 1.00 42.51 ATOM 694 HN PHE 43 2.660 -50.185 2.048 1.00 37.63 ATOM 695 CA PHE 43 0.594 -49.741 1.827 1.00 40.52 ATOM 696 HA PHE 43 0.205 -48.782 2.107 1.00 25.24 ATOM 697 CB PHE 43 0.848 -49.742 0.318 1.00 52.31 ATOM 698 HB1 PHE 43 -0.036 -49.375 -0.185 1.00 37.63 ATOM 699 HB2 PHE 43 1.044 -50.757 -0.010 1.00 43.12 ATOM 700 CG PHE 43 2.005 -48.879 -0.096 1.00 3.31 ATOM 701 CD1 PHE 43 2.197 -47.632 0.478 1.00 70.05 ATOM 702 HD1 PHE 43 1.520 -47.284 1.235 1.00 72.41 ATOM 703 CD2 PHE 43 2.901 -49.314 -1.059 1.00 5.01 ATOM 704 HD2 PHE 43 2.765 -50.285 -1.516 1.00 51.23 ATOM 705 CE1 PHE 43 3.261 -46.835 0.099 1.00 24.52 ATOM 706 HE1 PHE 43 3.399 -45.865 0.554 1.00 55.40 ATOM 707 CE2 PHE 43 3.968 -48.522 -1.441 1.00 32.11 ATOM 708 HE2 PHE 43 4.655 -48.866 -2.189 1.00 20.41 ATOM 709 CZ PHE 43 4.147 -47.281 -0.862 1.00 43.11 ATOM 710 HZ PHE 43 4.979 -46.660 -1.160 1.00 11.44 ATOM 711 C PHE 43 -0.440 -50.805 2.181 1.00 71.31 ATOM 712 O PHE 43 -1.584 -50.490 2.508 1.00 72.33 ATOM 713 N SER 44 -0.028 -52.067 2.113 1.00 74.35 ATOM 714 HN SER 44 0.903 -52.258 1.846 1.00 37.63 ATOM 715 CA SER 44 -0.919 -53.180 2.421 1.00 12.32 ATOM 716 HA SER 44 -1.777 -53.117 1.765 1.00 12.42 ATOM 717 CB SER 44 -0.209 -54.512 2.177 1.00 61.51 ATOM 718 HB1 SER 44 -0.900 -55.326 2.348 1.00 37.63 ATOM 719 HB2 SER 44 0.631 -54.604 2.851 1.00 43.14 ATOM 720 OG SER 44 0.271 -54.598 0.846 1.00 22.04 ATOM 721 HG SER 44 0.836 -55.369 0.758 1.00 4.41 ATOM 722 C SER 44 -1.401 -53.105 3.867 1.00 50.21 ATOM 723 O SER 44 -2.489 -53.579 4.196 1.00 5.23 ATOM 724 N PHE 45 -0.583 -52.506 4.726 1.00 12.31 ATOM 725 HN PHE 45 0.288 -52.164 4.420 1.00 37.63 ATOM 726 CA PHE 45 -0.924 -52.369 6.137 1.00 10.24 ATOM 727 HA PHE 45 -1.298 -53.321 6.493 1.00 1.21 ATOM 728 CB PHE 45 0.318 -51.998 6.950 1.00 22.22 ATOM 729 HB1 PHE 45 0.850 -51.208 6.441 1.00 37.63 ATOM 730 HB2 PHE 45 0.964 -52.865 7.012 1.00 22.32 ATOM 731 CG PHE 45 0.007 -51.541 8.347 1.00 75.53 ATOM 732 CD1 PHE 45 -0.196 -52.462 9.362 1.00 31.20 ATOM 733 HD1 PHE 45 -0.128 -53.520 9.146 1.00 25.32 ATOM 734 CD2 PHE 45 -0.084 -50.191 8.644 1.00 74.20 ATOM 735 HD2 PHE 45 0.072 -49.460 7.863 1.00 61.15 ATOM 736 CE1 PHE 45 -0.483 -52.045 10.648 1.00 23.33 ATOM 737 HE1 PHE 45 -0.627 -52.774 11.413 1.00 40.20 ATOM 738 CE2 PHE 45 -0.370 -49.768 9.928 1.00 33.33 ATOM 739 HE2 PHE 45 -0.447 -48.728 10.126 1.00 30.11 ATOM 740 CZ PHE 45 -0.571 -50.696 10.931 1.00 21.44 ATOM 741 HZ PHE 45 -0.798 -50.367 11.932 1.00 50.53 ATOM 742 C PHE 45 -2.008 -51.314 6.335 1.00 14.41 ATOM 743 O PHE 45 -3.083 -51.604 6.860 1.00 1.43 ATOM 744 N MET 46 -1.718 -50.088 5.911 1.00 64.22 ATOM 745 HN MET 46 -0.824 -49.919 5.536 1.00 37.63 ATOM 746 CA MET 46 -2.668 -48.989 6.040 1.00 24.45 ATOM 747 HA MET 46 -2.935 -48.895 7.084 1.00 73.23 ATOM 748 CB MET 46 -2.030 -47.678 5.576 1.00 74.40 ATOM 749 HB1 MET 46 -1.235 -47.440 6.269 1.00 37.63 ATOM 750 HB2 MET 46 -2.755 -46.893 5.610 1.00 24.20 ATOM 751 CG MET 46 -1.451 -47.748 4.172 1.00 34.12 ATOM 752 HG1 MET 46 -2.202 -47.445 3.467 1.00 37.63 ATOM 753 HG2 MET 46 -1.146 -48.743 3.944 1.00 41.01 ATOM 754 SD MET 46 -0.014 -46.681 3.960 1.00 41.50 ATOM 755 CE MET 46 -0.754 -45.066 4.194 1.00 63.14 ATOM 756 HE1 MET 46 -1.824 -45.128 4.106 1.00 1.13 ATOM 757 HE2 MET 46 -0.382 -44.403 3.445 1.00 33.34 ATOM 758 HE3 MET 46 -0.497 -44.692 5.165 1.00 35.12 ATOM 759 C MET 46 -3.933 -49.267 5.235 1.00 42.22 ATOM 760 O MET 46 -5.045 -49.091 5.731 1.00 73.03 ATOM 761 N GLN 47 -3.754 -49.700 3.991 1.00 30.42 ATOM 762 HN GLN 47 -2.849 -49.865 3.658 1.00 37.63 ATOM 763 CA GLN 47 -4.882 -50.001 3.118 1.00 53.43 ATOM 764 HA GLN 47 -5.385 -49.075 2.894 1.00 14.40 ATOM 765 CB GLN 47 -4.391 -50.627 1.812 1.00 42.14 ATOM 766 HB1 GLN 47 -3.712 -51.430 2.055 1.00 37.63 ATOM 767 HB2 GLN 47 -3.856 -49.879 1.247 1.00 20.52 ATOM 768 CG GLN 47 -5.506 -51.212 0.960 1.00 41.31 ATOM 769 HG1 GLN 47 -6.430 -50.679 1.157 1.00 37.63 ATOM 770 HG2 GLN 47 -5.632 -52.251 1.222 1.00 21.55 ATOM 771 CD GLN 47 -5.213 -51.125 -0.525 1.00 11.50 ATOM 772 OE1 GLN 47 -4.056 -51.160 -0.944 1.00 42.54 ATOM 773 NE2 GLN 47 -6.263 -51.010 -1.330 1.00 61.40 ATOM 774 HE21 GLN 47 -7.166 -50.987 -0.939 1.00 42.22 ATOM 775 HE22 GLN 47 -6.094 -50.952 -2.294 1.00 63.31 ATOM 776 C GLN 47 -5.869 -50.938 3.806 1.00 62.54 ATOM 777 O GLN 47 -7.074 -50.874 3.565 1.00 75.22 ATOM 778 N LYS 48 -5.349 -51.810 4.663 1.00 61.41 ATOM 779 HN LYS 48 -4.374 -51.850 4.794 1.00 37.63 ATOM 780 CA LYS 48 -6.183 -52.762 5.387 1.00 21.04 ATOM 781 HA LYS 48 -6.904 -53.183 4.694 1.00 4.11 ATOM 782 CB LYS 48 -5.324 -53.890 5.962 1.00 24.25 ATOM 783 HB1 LYS 48 -5.838 -54.345 6.801 1.00 37.63 ATOM 784 HB2 LYS 48 -4.394 -53.475 6.314 1.00 24.54 ATOM 785 CG LYS 48 -5.018 -54.992 4.963 1.00 74.41 ATOM 786 HG1 LYS 48 -4.772 -54.542 4.007 1.00 37.63 ATOM 787 HG2 LYS 48 -5.894 -55.614 4.853 1.00 62.13 ATOM 788 CD LYS 48 -3.858 -55.858 5.425 1.00 73.34 ATOM 789 HD1 LYS 48 -4.230 -56.595 6.121 1.00 37.63 ATOM 790 HD2 LYS 48 -3.112 -55.244 5.914 1.00 74.53 ATOM 791 CE LYS 48 -3.199 -56.576 4.257 1.00 51.24 ATOM 792 HE1 LYS 48 -2.883 -55.851 3.522 1.00 37.63 ATOM 793 HE2 LYS 48 -3.920 -57.245 3.810 1.00 43.22 ATOM 794 NZ LYS 48 -2.016 -57.370 4.690 1.00 41.53 ATOM 795 HZ1 LYS 48 -2.299 -58.092 5.386 1.00 4.21 ATOM 796 HZ2 LYS 48 -1.301 -56.749 5.122 1.00 41.42 ATOM 797 HZ3 LYS 48 -1.590 -57.847 3.870 1.00 54.04 ATOM 798 C LYS 48 -6.949 -52.070 6.510 1.00 52.41 ATOM 799 O LYS 48 -8.083 -52.437 6.819 1.00 63.21 ATOM 800 N ARG 49 -6.324 -51.065 7.115 1.00 24.44 ATOM 801 HN ARG 49 -5.412 -50.826 6.843 1.00 37.63 ATOM 802 CA ARG 49 -6.947 -50.322 8.203 1.00 13.32 ATOM 803 HA ARG 49 -7.432 -51.027 8.867 1.00 74.41 ATOM 804 CB ARG 49 -5.889 -49.555 8.998 1.00 43.43 ATOM 805 HB1 ARG 49 -4.917 -50.002 8.825 1.00 37.63 ATOM 806 HB2 ARG 49 -6.128 -49.642 10.046 1.00 74.51 ATOM 807 CG ARG 49 -5.816 -48.077 8.647 1.00 30.43 ATOM 808 HG1 ARG 49 -6.701 -47.580 9.023 1.00 37.63 ATOM 809 HG2 ARG 49 -5.770 -47.976 7.589 1.00 31.54 ATOM 810 CD ARG 49 -4.589 -47.419 9.260 1.00 74.45 ATOM 811 HD1 ARG 49 -3.928 -47.119 8.466 1.00 37.63 ATOM 812 HD2 ARG 49 -4.058 -48.125 9.888 1.00 65.14 ATOM 813 NE ARG 49 -4.937 -46.238 10.045 1.00 45.24 ATOM 814 HE ARG 49 -4.832 -45.362 9.612 1.00 13.52 ATOM 815 CZ ARG 49 -5.381 -46.291 11.295 1.00 24.04 ATOM 816 NH1 ARG 49 -5.530 -47.461 11.900 1.00 34.50 ATOM 817 HH11 ARG 49 -5.317 -48.316 11.444 1.00 70.41 ATOM 818 HH12 ARG 49 -5.867 -47.488 12.844 1.00 2.34 ATOM 819 NH2 ARG 49 -5.675 -45.172 11.944 1.00 14.32 ATOM 820 HH21 ARG 49 -5.563 -44.284 11.493 1.00 44.52 ATOM 821 HH22 ARG 49 -6.011 -45.210 12.888 1.00 3.22 ATOM 822 C ARG 49 -7.998 -49.353 7.668 1.00 64.05 ATOM 823 O ARG 49 -8.829 -48.846 8.419 1.00 54.34 ATOM 824 N GLY 50 -7.952 -49.101 6.363 1.00 51.22 ATOM 825 HN GLY 50 -7.267 -49.507 5.797 1.00 37.63 ATOM 826 CA GLY 50 -8.904 -48.193 5.749 1.00 61.50 ATOM 827 HA1 GLY 50 -9.720 -47.974 6.427 1.00 37.63 ATOM 828 HA2 GLY 50 -9.312 -48.673 4.872 1.00 14.25 ATOM 829 C GLY 50 -8.266 -46.887 5.321 1.00 13.40 ATOM 830 O GLY 50 -8.864 -45.819 5.461 1.00 33.24 ATOM 831 N THR 51 -7.047 -46.968 4.798 1.00 24.22 ATOM 832 HN THR 51 -6.616 -47.847 4.697 1.00 37.63 ATOM 833 CA THR 51 -6.326 -45.783 4.351 1.00 1.02 ATOM 834 HA THR 51 -7.007 -45.151 3.794 1.00 62.10 ATOM 835 CB THR 51 -5.804 -44.960 5.544 1.00 44.11 ATOM 836 HB THR 51 -6.652 -44.567 6.088 1.00 51.34 ATOM 837 OG1 THR 51 -5.003 -43.870 5.074 1.00 52.43 ATOM 838 HG1 THR 51 -5.002 -43.165 5.726 1.00 63.35 ATOM 839 CG2 THR 51 -4.983 -45.830 6.484 1.00 64.04 ATOM 840 HG21 THR 51 -4.902 -46.834 6.120 1.00 2.33 ATOM 841 HG22 THR 51 -5.465 -45.823 7.437 1.00 62.25 ATOM 842 HG23 THR 51 -3.993 -45.408 6.593 1.00 41.12 ATOM 843 C THR 51 -5.152 -46.159 3.455 1.00 63.02 ATOM 844 O THR 51 -3.987 -46.052 3.839 1.00 21.43 ATOM 845 N PRO 52 -5.462 -46.609 2.230 1.00 63.40 ATOM 846 CA PRO 52 -4.445 -47.009 1.253 1.00 62.23 ATOM 847 HA PRO 52 -3.763 -47.737 1.666 1.00 23.30 ATOM 848 CB PRO 52 -5.264 -47.650 0.130 1.00 55.22 ATOM 849 HB1 PRO 52 -5.327 -48.688 0.292 1.00 37.63 ATOM 850 HB2 PRO 52 -4.824 -47.466 -0.840 1.00 21.41 ATOM 851 CG PRO 52 -6.612 -47.024 0.240 1.00 42.43 ATOM 852 HG1 PRO 52 -7.364 -47.703 -0.134 1.00 37.63 ATOM 853 HG2 PRO 52 -6.633 -46.097 -0.314 1.00 34.15 ATOM 854 CD PRO 52 -6.829 -46.762 1.705 1.00 62.44 ATOM 855 HD1 PRO 52 -7.330 -47.599 2.169 1.00 37.63 ATOM 856 HD2 PRO 52 -7.402 -45.857 1.836 1.00 42.31 ATOM 857 C PRO 52 -3.652 -45.820 0.722 1.00 41.04 ATOM 858 O PRO 52 -3.799 -44.697 1.205 1.00 61.31 ATOM 859 N VAL 53 -2.811 -46.073 -0.276 1.00 61.32 ATOM 860 HN VAL 53 -2.714 -46.991 -0.617 1.00 37.63 ATOM 861 CA VAL 53 -1.996 -45.023 -0.874 1.00 44.22 ATOM 862 HA VAL 53 -2.241 -44.073 -0.405 1.00 44.20 ATOM 863 CB VAL 53 -0.494 -45.280 -0.648 1.00 70.51 ATOM 864 HB VAL 53 -0.239 -46.234 -1.090 1.00 50.45 ATOM 865 CG1 VAL 53 0.341 -44.204 -1.326 1.00 34.44 ATOM 866 HG11 VAL 53 1.377 -44.305 -1.027 1.00 62.12 ATOM 867 HG12 VAL 53 -0.016 -43.224 -1.039 1.00 31.31 ATOM 868 HG13 VAL 53 0.277 -44.310 -2.399 1.00 11.41 ATOM 869 CG2 VAL 53 -0.184 -45.350 0.840 1.00 41.54 ATOM 870 HG21 VAL 53 -0.708 -44.572 1.359 1.00 4.24 ATOM 871 HG22 VAL 53 0.880 -45.244 1.010 1.00 13.34 ATOM 872 HG23 VAL 53 -0.511 -46.307 1.207 1.00 31.51 ATOM 873 C VAL 53 -2.260 -44.907 -2.371 1.00 54.21 ATOM 874 O VAL 53 -2.122 -45.878 -3.113 1.00 74.22 ATOM 875 N ASN 54 -2.641 -43.711 -2.808 1.00 52.31 ATOM 876 HN ASN 54 -2.732 -42.963 -2.174 1.00 37.63 ATOM 877 CA ASN 54 -2.926 -43.467 -4.218 1.00 4.04 ATOM 878 HA ASN 54 -2.847 -44.397 -4.768 1.00 55.33 ATOM 879 CB ASN 54 -4.349 -42.931 -4.387 1.00 4.31 ATOM 880 HB1 ASN 54 -4.655 -43.069 -5.414 1.00 37.63 ATOM 881 HB2 ASN 54 -4.374 -41.873 -4.150 1.00 73.21 ATOM 882 CG ASN 54 -5.346 -43.645 -3.495 1.00 5.02 ATOM 883 OD1 ASN 54 -5.858 -44.708 -3.845 1.00 33.00 ATOM 884 ND2 ASN 54 -5.625 -43.062 -2.335 1.00 21.12 ATOM 885 HD21 ASN 54 -5.184 -42.212 -2.108 1.00 44.32 ATOM 886 HD22 ASN 54 -6.267 -43.508 -1.744 1.00 43.44 ATOM 887 C ASN 54 -1.925 -42.481 -4.812 1.00 4.11 ATOM 888 O ASN 54 -1.283 -42.766 -5.823 1.00 52.34 ATOM 889 N ARG 55 -1.796 -41.321 -4.176 1.00 51.01 ATOM 890 HN ARG 55 -2.324 -41.149 -3.365 1.00 37.63 ATOM 891 CA ARG 55 -0.874 -40.292 -4.642 1.00 22.41 ATOM 892 HA ARG 55 -0.384 -40.629 -5.547 1.00 33.23 ATOM 893 CB ARG 55 -1.633 -39.003 -4.959 1.00 42.41 ATOM 894 HB1 ARG 55 -2.417 -39.236 -5.667 1.00 37.63 ATOM 895 HB2 ARG 55 -0.951 -38.296 -5.411 1.00 34.32 ATOM 896 CG ARG 55 -2.260 -38.349 -3.739 1.00 34.44 ATOM 897 HG1 ARG 55 -1.478 -37.942 -3.115 1.00 37.63 ATOM 898 HG2 ARG 55 -2.818 -39.088 -3.183 1.00 24.24 ATOM 899 CD ARG 55 -3.203 -37.223 -4.132 1.00 43.34 ATOM 900 HD1 ARG 55 -3.773 -37.517 -5.006 1.00 37.63 ATOM 901 HD2 ARG 55 -2.607 -36.354 -4.369 1.00 74.21 ATOM 902 NE ARG 55 -4.135 -36.888 -3.059 1.00 61.40 ATOM 903 HE ARG 55 -4.193 -37.502 -2.289 1.00 11.05 ATOM 904 CZ ARG 55 -4.908 -35.808 -3.067 1.00 23.12 ATOM 905 NH1 ARG 55 -4.860 -34.962 -4.087 1.00 32.24 ATOM 906 HH11 ARG 55 -4.253 -35.114 -4.864 1.00 42.13 ATOM 907 HH12 ARG 55 -5.446 -34.149 -4.083 1.00 31.04 ATOM 908 NH2 ARG 55 -5.731 -35.572 -2.053 1.00 22.30 ATOM 909 HH21 ARG 55 -5.772 -36.207 -1.279 1.00 55.25 ATOM 910 HH22 ARG 55 -6.315 -34.758 -2.057 1.00 23.14 ATOM 911 C ARG 55 0.205 -40.017 -3.599 1.00 2.12 ATOM 912 O ARG 55 0.100 -40.455 -2.453 1.00 3.44 ATOM 913 N ILE 56 1.241 -39.290 -4.004 1.00 52.12 ATOM 914 HN ILE 56 1.280 -38.971 -4.935 1.00 37.63 ATOM 915 CA ILE 56 2.338 -38.956 -3.105 1.00 21.14 ATOM 916 HA ILE 56 2.066 -39.289 -2.115 1.00 75.13 ATOM 917 CB ILE 56 3.634 -39.687 -3.502 1.00 30.43 ATOM 918 HB ILE 56 3.926 -39.349 -4.488 1.00 73.24 ATOM 919 CG1 ILE 56 3.402 -41.199 -3.538 1.00 34.31 ATOM 920 HG11 ILE 56 2.490 -41.420 -4.073 1.00 37.63 ATOM 921 HG12 ILE 56 3.316 -41.580 -2.531 1.00 0.31 ATOM 922 CG2 ILE 56 4.755 -39.341 -2.533 1.00 64.45 ATOM 923 HG21 ILE 56 4.934 -38.278 -2.520 1.00 32.14 ATOM 924 HG22 ILE 56 5.659 -39.839 -2.841 1.00 32.40 ATOM 925 HG23 ILE 56 4.496 -39.677 -1.542 1.00 62.00 ATOM 926 CD1 ILE 56 4.508 -41.964 -4.229 1.00 63.42 ATOM 927 HD11 ILE 56 5.476 -41.600 -3.925 1.00 53.42 ATOM 928 HD12 ILE 56 4.395 -41.845 -5.292 1.00 24.20 ATOM 929 HD13 ILE 56 4.420 -43.009 -3.982 1.00 72.01 ATOM 930 C ILE 56 2.599 -37.454 -3.090 1.00 44.22 ATOM 931 O ILE 56 2.679 -36.802 -4.132 1.00 31.32 ATOM 932 N PRO 57 2.738 -36.889 -1.882 1.00 23.05 ATOM 933 CA PRO 57 2.996 -35.457 -1.702 1.00 35.13 ATOM 934 HA PRO 57 2.255 -34.859 -2.217 1.00 32.53 ATOM 935 CB PRO 57 2.848 -35.257 -0.191 1.00 74.13 ATOM 936 HB1 PRO 57 1.837 -34.959 0.015 1.00 37.63 ATOM 937 HB2 PRO 57 3.531 -34.496 0.169 1.00 65.14 ATOM 938 CG PRO 57 3.148 -36.592 0.399 1.00 53.33 ATOM 939 HG1 PRO 57 2.625 -36.705 1.337 1.00 37.63 ATOM 940 HG2 PRO 57 4.213 -36.697 0.546 1.00 34.14 ATOM 941 CD PRO 57 2.656 -37.605 -0.597 1.00 55.14 ATOM 942 HD1 PRO 57 1.635 -37.881 -0.376 1.00 37.63 ATOM 943 HD2 PRO 57 3.286 -38.465 -0.573 1.00 12.43 ATOM 944 C PRO 57 4.395 -35.058 -2.157 1.00 52.24 ATOM 945 O PRO 57 5.380 -35.708 -1.809 1.00 24.25 ATOM 946 N ILE 58 4.474 -33.985 -2.938 1.00 23.24 ATOM 947 HN ILE 58 3.654 -33.494 -3.180 1.00 37.63 ATOM 948 CA ILE 58 5.754 -33.499 -3.439 1.00 73.12 ATOM 949 HA ILE 58 6.495 -34.285 -3.334 1.00 21.32 ATOM 950 CB ILE 58 5.668 -33.125 -4.931 1.00 2.13 ATOM 951 HB ILE 58 4.933 -32.340 -5.046 1.00 0.43 ATOM 952 CG1 ILE 58 5.234 -34.336 -5.759 1.00 14.13 ATOM 953 HG11 ILE 58 5.177 -34.050 -6.798 1.00 37.63 ATOM 954 HG12 ILE 58 4.258 -34.663 -5.430 1.00 74.31 ATOM 955 CG2 ILE 58 7.007 -32.594 -5.421 1.00 51.11 ATOM 956 HG21 ILE 58 7.798 -33.248 -5.106 1.00 73.51 ATOM 957 HG22 ILE 58 7.178 -31.606 -5.022 1.00 61.14 ATOM 958 HG23 ILE 58 7.005 -32.537 -6.495 1.00 14.20 ATOM 959 CD1 ILE 58 6.178 -35.512 -5.651 1.00 25.23 ATOM 960 HD11 ILE 58 7.194 -35.204 -5.843 1.00 4.35 ATOM 961 HD12 ILE 58 5.894 -36.258 -6.378 1.00 55.13 ATOM 962 HD13 ILE 58 6.108 -35.939 -4.664 1.00 53.45 ATOM 963 C ILE 58 6.229 -32.285 -2.648 1.00 53.13 ATOM 964 O ILE 58 5.588 -31.234 -2.661 1.00 22.22 ATOM 965 N MET 59 7.357 -32.437 -1.963 1.00 11.25 ATOM 966 HN MET 59 7.836 -33.297 -1.988 1.00 37.63 ATOM 967 CA MET 59 7.920 -31.351 -1.168 1.00 72.11 ATOM 968 HA MET 59 7.245 -30.502 -1.201 1.00 22.23 ATOM 969 CB MET 59 8.071 -31.784 0.292 1.00 51.24 ATOM 970 HB1 MET 59 8.801 -32.581 0.344 1.00 37.63 ATOM 971 HB2 MET 59 7.123 -32.171 0.640 1.00 32.10 ATOM 972 CG MET 59 8.531 -30.666 1.212 1.00 4.44 ATOM 973 HG1 MET 59 9.170 -29.978 0.687 1.00 37.63 ATOM 974 HG2 MET 59 9.099 -31.110 2.015 1.00 52.43 ATOM 975 SD MET 59 7.157 -29.738 1.920 1.00 53.44 ATOM 976 CE MET 59 7.147 -30.370 3.595 1.00 24.41 ATOM 977 HE1 MET 59 7.735 -29.722 4.228 1.00 31.03 ATOM 978 HE2 MET 59 7.565 -31.367 3.615 1.00 51.22 ATOM 979 HE3 MET 59 6.134 -30.405 3.959 1.00 20.22 ATOM 980 C MET 59 9.272 -30.915 -1.724 1.00 32.22 ATOM 981 O MET 59 10.086 -31.747 -2.123 1.00 45.40 ATOM 982 N ALA 60 9.503 -29.607 -1.747 1.00 1.42 ATOM 983 HN ALA 60 8.819 -28.982 -1.417 1.00 37.63 ATOM 984 CA ALA 60 10.757 -29.061 -2.252 1.00 72.31 ATOM 985 HA ALA 60 10.697 -27.984 -2.198 1.00 52.41 ATOM 986 CB ALA 60 11.919 -29.515 -1.381 1.00 12.11 ATOM 987 HB1 ALA 60 12.824 -29.029 -1.710 1.00 50.31 ATOM 988 HB2 ALA 60 12.042 -30.583 -1.449 1.00 23.22 ATOM 989 HB3 ALA 60 11.717 -29.244 -0.358 1.00 14.24 ATOM 990 C ALA 60 10.989 -29.471 -3.702 1.00 70.24 ATOM 991 O ALA 60 12.124 -29.704 -4.119 1.00 0.31 ATOM 992 N LYS 61 9.907 -29.559 -4.468 1.00 35.01 ATOM 993 HN LYS 61 9.021 -29.348 -4.100 1.00 37.63 ATOM 994 CA LYS 61 9.991 -29.941 -5.873 1.00 2.43 ATOM 995 HA LYS 61 8.998 -29.895 -6.291 1.00 24.31 ATOM 996 CB LYS 61 10.902 -28.972 -6.631 1.00 72.54 ATOM 997 HB1 LYS 61 10.752 -29.116 -7.692 1.00 37.63 ATOM 998 HB2 LYS 61 11.936 -29.184 -6.399 1.00 24.24 ATOM 999 CG LYS 61 10.641 -27.512 -6.307 1.00 51.33 ATOM 1000 HG1 LYS 61 11.390 -26.913 -6.801 1.00 37.63 ATOM 1001 HG2 LYS 61 10.719 -27.353 -5.245 1.00 61.04 ATOM 1002 CD LYS 61 9.258 -27.077 -6.764 1.00 63.43 ATOM 1003 HD1 LYS 61 8.975 -26.202 -6.197 1.00 37.63 ATOM 1004 HD2 LYS 61 8.532 -27.856 -6.591 1.00 73.21 ATOM 1005 CE LYS 61 9.249 -26.711 -8.240 1.00 52.34 ATOM 1006 HE1 LYS 61 8.224 -26.585 -8.556 1.00 37.63 ATOM 1007 HE2 LYS 61 9.701 -27.511 -8.811 1.00 0.34 ATOM 1008 NZ LYS 61 9.991 -25.446 -8.503 1.00 32.54 ATOM 1009 HZ1 LYS 61 9.858 -25.159 -9.494 1.00 71.30 ATOM 1010 HZ2 LYS 61 11.006 -25.578 -8.332 1.00 4.41 ATOM 1011 HZ3 LYS 61 9.642 -24.681 -7.887 1.00 15.11 ATOM 1012 C LYS 61 10.513 -31.366 -6.019 1.00 24.33 ATOM 1013 O LYS 61 10.995 -31.754 -7.083 1.00 2.23 ATOM 1014 N GLN 62 10.413 -32.142 -4.944 1.00 13.42 ATOM 1015 HN GLN 62 9.982 -31.813 -4.135 1.00 37.63 ATOM 1016 CA GLN 62 10.874 -33.525 -4.954 1.00 45.41 ATOM 1017 HA GLN 62 10.878 -33.887 -5.977 1.00 60.11 ATOM 1018 CB GLN 62 12.297 -33.613 -4.400 1.00 24.42 ATOM 1019 HB1 GLN 62 12.919 -32.903 -4.925 1.00 37.63 ATOM 1020 HB2 GLN 62 12.674 -34.611 -4.582 1.00 53.52 ATOM 1021 CG GLN 62 12.390 -33.319 -2.911 1.00 50.34 ATOM 1022 HG1 GLN 62 11.620 -33.850 -2.371 1.00 37.63 ATOM 1023 HG2 GLN 62 12.258 -32.261 -2.775 1.00 11.54 ATOM 1024 CD GLN 62 13.738 -33.691 -2.325 1.00 74.14 ATOM 1025 OE1 GLN 62 14.717 -32.959 -2.476 1.00 35.41 ATOM 1026 NE2 GLN 62 13.795 -34.834 -1.652 1.00 62.22 ATOM 1027 HE21 GLN 62 12.981 -35.380 -1.563 1.00 4.51 ATOM 1028 HE22 GLN 62 14.658 -35.092 -1.265 1.00 13.24 ATOM 1029 C GLN 62 9.942 -34.416 -4.140 1.00 4.20 ATOM 1030 O GLN 62 9.274 -33.952 -3.216 1.00 33.50 ATOM 1031 N VAL 63 9.903 -35.698 -4.489 1.00 54.23 ATOM 1032 HN VAL 63 10.437 -35.991 -5.260 1.00 37.63 ATOM 1033 CA VAL 63 9.053 -36.655 -3.791 1.00 11.44 ATOM 1034 HA VAL 63 8.040 -36.282 -3.818 1.00 52.25 ATOM 1035 CB VAL 63 9.074 -38.032 -4.480 1.00 11.12 ATOM 1036 HB VAL 63 8.664 -37.922 -5.473 1.00 24.32 ATOM 1037 CG1 VAL 63 10.501 -38.543 -4.609 1.00 53.21 ATOM 1038 HG11 VAL 63 10.927 -38.712 -3.633 1.00 12.21 ATOM 1039 HG12 VAL 63 11.109 -37.837 -5.149 1.00 61.11 ATOM 1040 HG13 VAL 63 10.492 -39.478 -5.152 1.00 24.05 ATOM 1041 CG2 VAL 63 8.211 -39.024 -3.714 1.00 40.52 ATOM 1042 HG21 VAL 63 7.204 -38.643 -3.646 1.00 54.22 ATOM 1043 HG22 VAL 63 8.605 -39.179 -2.721 1.00 43.31 ATOM 1044 HG23 VAL 63 8.198 -39.970 -4.230 1.00 13.32 ATOM 1045 C VAL 63 9.488 -36.818 -2.339 1.00 23.43 ATOM 1046 O VAL 63 10.677 -36.958 -2.047 1.00 40.44 ATOM 1047 N LEU 64 8.519 -36.801 -1.431 1.00 32.32 ATOM 1048 HN LEU 64 7.582 -36.697 -1.726 1.00 37.63 ATOM 1049 CA LEU 64 8.801 -36.949 -0.007 1.00 42.31 ATOM 1050 HA LEU 64 9.643 -36.312 0.222 1.00 41.52 ATOM 1051 CB LEU 64 7.597 -36.498 0.821 1.00 35.41 ATOM 1052 HB1 LEU 64 6.795 -37.213 0.676 1.00 37.63 ATOM 1053 HB2 LEU 64 7.268 -35.543 0.430 1.00 33.05 ATOM 1054 CG LEU 64 7.836 -36.340 2.323 1.00 20.00 ATOM 1055 HG LEU 64 8.119 -37.297 2.737 1.00 61.20 ATOM 1056 CD1 LEU 64 8.972 -35.362 2.582 1.00 33.32 ATOM 1057 HD11 LEU 64 8.771 -34.424 2.082 1.00 63.05 ATOM 1058 HD12 LEU 64 9.899 -35.775 2.216 1.00 32.40 ATOM 1059 HD13 LEU 64 9.065 -35.185 3.646 1.00 20.24 ATOM 1060 CD2 LEU 64 6.564 -35.880 3.020 1.00 1.13 ATOM 1061 HD21 LEU 64 6.751 -35.749 4.076 1.00 11.12 ATOM 1062 HD22 LEU 64 5.790 -36.622 2.885 1.00 54.40 ATOM 1063 HD23 LEU 64 6.237 -34.940 2.597 1.00 60.33 ATOM 1064 C LEU 64 9.154 -38.394 0.331 1.00 10.43 ATOM 1065 O LEU 64 8.286 -39.266 0.353 1.00 31.30 ATOM 1066 N ASP 65 10.432 -38.638 0.597 1.00 64.22 ATOM 1067 HN ASP 65 11.065 -37.884 0.598 1.00 37.63 ATOM 1068 CA ASP 65 10.900 -39.977 0.938 1.00 51.31 ATOM 1069 HA ASP 65 10.671 -40.627 0.110 1.00 71.22 ATOM 1070 CB ASP 65 12.414 -39.971 1.155 1.00 32.35 ATOM 1071 HB1 ASP 65 12.779 -40.983 1.096 1.00 37.63 ATOM 1072 HB2 ASP 65 12.643 -39.561 2.126 1.00 60.04 ATOM 1073 CG ASP 65 13.144 -39.138 0.121 1.00 65.32 ATOM 1074 OD1 ASP 65 13.815 -39.730 -0.750 1.00 43.14 ATOM 1075 OD2 ASP 65 13.046 -37.895 0.183 1.00 42.43 ATOM 1076 C ASP 65 10.196 -40.496 2.187 1.00 32.34 ATOM 1077 O ASP 65 10.586 -40.176 3.311 1.00 33.42 ATOM 1078 N LEU 66 9.156 -41.298 1.984 1.00 24.21 ATOM 1079 HN LEU 66 8.893 -41.515 1.068 1.00 37.63 ATOM 1080 CA LEU 66 8.396 -41.862 3.094 1.00 3.24 ATOM 1081 HA LEU 66 8.030 -41.048 3.697 1.00 63.04 ATOM 1082 CB LEU 66 7.219 -42.684 2.567 1.00 51.20 ATOM 1083 HB1 LEU 66 6.835 -43.295 3.378 1.00 37.63 ATOM 1084 HB2 LEU 66 7.594 -43.344 1.796 1.00 14.03 ATOM 1085 CG LEU 66 6.050 -41.887 1.987 1.00 11.44 ATOM 1086 HG LEU 66 6.397 -41.319 1.136 1.00 63.14 ATOM 1087 CD1 LEU 66 4.951 -42.822 1.509 1.00 35.44 ATOM 1088 HD11 LEU 66 4.575 -43.401 2.342 1.00 22.42 ATOM 1089 HD12 LEU 66 5.346 -43.491 0.757 1.00 63.24 ATOM 1090 HD13 LEU 66 4.143 -42.244 1.081 1.00 2.02 ATOM 1091 CD2 LEU 66 5.508 -40.908 3.019 1.00 45.40 ATOM 1092 HD21 LEU 66 5.265 -41.433 3.933 1.00 72.53 ATOM 1093 HD22 LEU 66 4.615 -40.431 2.635 1.00 10.24 ATOM 1094 HD23 LEU 66 6.246 -40.150 3.225 1.00 65.24 ATOM 1095 C LEU 66 9.285 -42.733 3.976 1.00 21.21 ATOM 1096 O LEU 66 9.294 -42.592 5.199 1.00 0.31 ATOM 1097 N PHE 67 10.033 -43.633 3.347 1.00 64.32 ATOM 1098 HN PHE 67 9.977 -43.706 2.364 1.00 37.63 ATOM 1099 CA PHE 67 10.927 -44.527 4.074 1.00 63.11 ATOM 1100 HA PHE 67 10.315 -45.194 4.667 1.00 70.34 ATOM 1101 CB PHE 67 11.765 -45.352 3.095 1.00 43.12 ATOM 1102 HB1 PHE 67 12.487 -44.707 2.606 1.00 37.63 ATOM 1103 HB2 PHE 67 11.107 -45.763 2.339 1.00 35.14 ATOM 1104 CG PHE 67 12.504 -46.486 3.746 1.00 74.43 ATOM 1105 CD1 PHE 67 11.967 -47.764 3.758 1.00 53.34 ATOM 1106 HD1 PHE 67 11.008 -47.945 3.292 1.00 10.41 ATOM 1107 CD2 PHE 67 13.734 -46.275 4.346 1.00 24.52 ATOM 1108 HD2 PHE 67 14.167 -45.284 4.345 1.00 53.15 ATOM 1109 CE1 PHE 67 12.644 -48.810 4.355 1.00 33.04 ATOM 1110 HE1 PHE 67 12.225 -49.799 4.356 1.00 63.50 ATOM 1111 CE2 PHE 67 14.416 -47.318 4.945 1.00 1.11 ATOM 1112 HE2 PHE 67 15.374 -47.140 5.410 1.00 4.52 ATOM 1113 CZ PHE 67 13.870 -48.586 4.951 1.00 74.52 ATOM 1114 HZ PHE 67 14.401 -49.402 5.419 1.00 45.52 ATOM 1115 C PHE 67 11.843 -43.740 5.007 1.00 51.13 ATOM 1116 O PHE 67 11.968 -44.062 6.188 1.00 62.02 ATOM 1117 N MET 68 12.481 -42.707 4.467 1.00 51.33 ATOM 1118 HN MET 68 12.309 -42.483 3.524 1.00 37.63 ATOM 1119 CA MET 68 13.385 -41.873 5.250 1.00 12.34 ATOM 1120 HA MET 68 14.113 -42.513 5.723 1.00 23.23 ATOM 1121 CB MET 68 14.102 -40.870 4.345 1.00 41.13 ATOM 1122 HB1 MET 68 14.843 -40.330 4.912 1.00 37.63 ATOM 1123 HB2 MET 68 13.366 -40.176 3.979 1.00 30.32 ATOM 1124 CG MET 68 14.765 -41.509 3.135 1.00 32.22 ATOM 1125 HG1 MET 68 15.314 -40.748 2.600 1.00 37.63 ATOM 1126 HG2 MET 68 14.007 -41.919 2.493 1.00 13.31 ATOM 1127 SD MET 68 15.906 -42.831 3.586 1.00 54.21 ATOM 1128 CE MET 68 16.828 -42.046 4.905 1.00 24.23 ATOM 1129 HE1 MET 68 17.149 -41.065 4.585 1.00 63.22 ATOM 1130 HE2 MET 68 17.694 -42.646 5.143 1.00 70.43 ATOM 1131 HE3 MET 68 16.205 -41.953 5.781 1.00 4.52 ATOM 1132 C MET 68 12.627 -41.133 6.348 1.00 2.33 ATOM 1133 O MET 68 13.066 -41.089 7.498 1.00 4.33 ATOM 1134 N LEU 69 11.488 -40.552 5.987 1.00 62.51 ATOM 1135 HN LEU 69 11.194 -40.614 5.047 1.00 37.63 ATOM 1136 CA LEU 69 10.669 -39.814 6.942 1.00 43.33 ATOM 1137 HA LEU 69 11.256 -38.985 7.303 1.00 73.04 ATOM 1138 CB LEU 69 9.400 -39.298 6.262 1.00 15.45 ATOM 1139 HB1 LEU 69 8.569 -39.933 6.548 1.00 37.63 ATOM 1140 HB2 LEU 69 9.516 -39.380 5.194 1.00 51.54 ATOM 1141 CG LEU 69 9.013 -37.851 6.572 1.00 4.21 ATOM 1142 HG LEU 69 8.947 -37.725 7.643 1.00 72.11 ATOM 1143 CD1 LEU 69 10.073 -36.892 6.052 1.00 65.40 ATOM 1144 HD11 LEU 69 9.782 -35.874 6.277 1.00 31.12 ATOM 1145 HD12 LEU 69 10.167 -37.007 4.983 1.00 63.20 ATOM 1146 HD13 LEU 69 11.022 -37.099 6.520 1.00 2.33 ATOM 1147 CD2 LEU 69 7.654 -37.522 5.973 1.00 50.34 ATOM 1148 HD21 LEU 69 6.924 -38.247 6.279 1.00 40.00 ATOM 1149 HD22 LEU 69 7.724 -37.533 4.896 1.00 60.11 ATOM 1150 HD23 LEU 69 7.344 -36.540 6.302 1.00 21.01 ATOM 1151 C LEU 69 10.301 -40.689 8.135 1.00 23.14 ATOM 1152 O LEU 69 10.440 -40.276 9.287 1.00 33.20 ATOM 1153 N TYR 70 9.834 -41.900 7.853 1.00 41.15 ATOM 1154 HN TYR 70 9.745 -42.176 6.911 1.00 37.63 ATOM 1155 CA TYR 70 9.446 -42.834 8.903 1.00 41.03 ATOM 1156 HA TYR 70 8.711 -42.358 9.531 1.00 21.34 ATOM 1157 CB TYR 70 8.828 -44.093 8.292 1.00 51.31 ATOM 1158 HB1 TYR 70 9.450 -44.424 7.470 1.00 37.63 ATOM 1159 HB2 TYR 70 7.848 -43.857 7.910 1.00 62.32 ATOM 1160 CG TYR 70 8.692 -45.237 9.271 1.00 14.20 ATOM 1161 CD1 TYR 70 7.527 -45.411 10.008 1.00 14.32 ATOM 1162 HD1 TYR 70 6.709 -44.716 9.875 1.00 34.21 ATOM 1163 CD2 TYR 70 9.728 -46.143 9.460 1.00 54.01 ATOM 1164 HD2 TYR 70 10.643 -46.025 8.897 1.00 23.35 ATOM 1165 CE1 TYR 70 7.398 -46.454 10.905 1.00 74.15 ATOM 1166 HE1 TYR 70 6.494 -46.586 11.444 1.00 21.15 ATOM 1167 CE2 TYR 70 9.607 -47.190 10.353 1.00 71.02 ATOM 1168 HE2 TYR 70 10.424 -47.885 10.484 1.00 3.52 ATOM 1169 CZ TYR 70 8.440 -47.341 11.073 1.00 62.21 ATOM 1170 OH TYR 70 8.317 -48.382 11.964 1.00 34.14 ATOM 1171 HH TYR 70 8.851 -48.208 12.745 1.00 52.42 ATOM 1172 C TYR 70 10.645 -43.211 9.767 1.00 4.21 ATOM 1173 O TYR 70 10.595 -43.119 10.994 1.00 60.23 ATOM 1174 N VAL 71 11.725 -43.635 9.117 1.00 32.14 ATOM 1175 HN VAL 71 11.709 -43.666 8.131 1.00 37.63 ATOM 1176 CA VAL 71 12.939 -44.025 9.825 1.00 51.44 ATOM 1177 HA VAL 71 12.701 -44.866 10.465 1.00 62.32 ATOM 1178 CB VAL 71 14.045 -44.458 8.844 1.00 32.21 ATOM 1179 HB VAL 71 14.254 -43.633 8.176 1.00 4.33 ATOM 1180 CG1 VAL 71 15.323 -44.796 9.596 1.00 30.23 ATOM 1181 HG11 VAL 71 16.034 -45.252 8.918 1.00 13.12 ATOM 1182 HG12 VAL 71 15.107 -45.487 10.400 1.00 53.11 ATOM 1183 HG13 VAL 71 15.760 -43.896 10.003 1.00 53.21 ATOM 1184 CG2 VAL 71 13.581 -45.640 8.007 1.00 34.50 ATOM 1185 HG21 VAL 71 12.524 -45.592 7.811 1.00 13.24 ATOM 1186 HG22 VAL 71 13.792 -46.567 8.524 1.00 31.14 ATOM 1187 HG23 VAL 71 14.113 -45.631 7.070 1.00 65.33 ATOM 1188 C VAL 71 13.461 -42.883 10.690 1.00 71.30 ATOM 1189 O VAL 71 13.915 -43.100 11.814 1.00 5.42 ATOM 1190 N LEU 72 13.393 -41.667 10.160 1.00 74.23 ATOM 1191 HN LEU 72 13.023 -41.554 9.254 1.00 37.63 ATOM 1192 CA LEU 72 13.858 -40.489 10.884 1.00 60.51 ATOM 1193 HA LEU 72 14.830 -40.715 11.289 1.00 24.33 ATOM 1194 CB LEU 72 13.950 -39.289 9.940 1.00 62.41 ATOM 1195 HB1 LEU 72 13.709 -38.405 10.491 1.00 37.63 ATOM 1196 HB2 LEU 72 13.215 -39.394 9.159 1.00 14.10 ATOM 1197 CG LEU 72 15.314 -39.048 9.293 1.00 44.41 ATOM 1198 HG LEU 72 15.258 -38.167 8.669 1.00 73.21 ATOM 1199 CD1 LEU 72 16.374 -38.803 10.356 1.00 14.43 ATOM 1200 HD11 LEU 72 16.056 -38.004 11.013 1.00 11.14 ATOM 1201 HD12 LEU 72 17.299 -38.517 9.876 1.00 2.12 ATOM 1202 HD13 LEU 72 16.539 -39.699 10.934 1.00 53.11 ATOM 1203 CD2 LEU 72 15.703 -40.226 8.412 1.00 42.22 ATOM 1204 HD21 LEU 72 15.591 -41.158 8.945 1.00 12.03 ATOM 1205 HD22 LEU 72 16.736 -40.121 8.104 1.00 5.20 ATOM 1206 HD23 LEU 72 15.086 -40.232 7.534 1.00 12.32 ATOM 1207 C LEU 72 12.929 -40.164 12.049 1.00 31.30 ATOM 1208 O LEU 72 13.360 -40.093 13.200 1.00 44.12 ATOM 1209 N VAL 73 11.650 -39.970 11.743 1.00 50.21 ATOM 1210 HN VAL 73 11.366 -40.052 10.805 1.00 37.63 ATOM 1211 CA VAL 73 10.659 -39.656 12.765 1.00 55.42 ATOM 1212 HA VAL 73 10.890 -38.678 13.167 1.00 2.22 ATOM 1213 CB VAL 73 9.236 -39.619 12.175 1.00 63.35 ATOM 1214 HB VAL 73 9.050 -40.559 11.676 1.00 52.22 ATOM 1215 CG1 VAL 73 8.204 -39.454 13.279 1.00 13.20 ATOM 1216 HG11 VAL 73 8.083 -40.390 13.805 1.00 21.42 ATOM 1217 HG12 VAL 73 7.250 -39.173 12.851 1.00 43.51 ATOM 1218 HG13 VAL 73 8.513 -38.695 13.973 1.00 73.44 ATOM 1219 CG2 VAL 73 9.114 -38.503 11.148 1.00 64.52 ATOM 1220 HG21 VAL 73 9.942 -38.517 10.465 1.00 24.33 ATOM 1221 HG22 VAL 73 9.101 -37.547 11.654 1.00 3.01 ATOM 1222 HG23 VAL 73 8.197 -38.620 10.599 1.00 62.14 ATOM 1223 C VAL 73 10.700 -40.671 13.901 1.00 34.20 ATOM 1224 O VAL 73 10.527 -40.321 15.069 1.00 73.10 ATOM 1225 N THR 74 10.930 -41.933 13.552 1.00 64.14 ATOM 1226 HN THR 74 11.053 -42.162 12.601 1.00 37.63 ATOM 1227 CA THR 74 10.994 -43.001 14.542 1.00 52.25 ATOM 1228 HA THR 74 10.137 -42.910 15.202 1.00 52.01 ATOM 1229 CB THR 74 10.945 -44.389 13.875 1.00 44.42 ATOM 1230 HB THR 74 11.113 -45.151 14.628 1.00 1.21 ATOM 1231 OG1 THR 74 11.966 -44.487 12.875 1.00 74.52 ATOM 1232 HG1 THR 74 12.197 -45.409 12.738 1.00 24.43 ATOM 1233 CG2 THR 74 9.584 -44.639 13.244 1.00 11.20 ATOM 1234 HG21 THR 74 9.688 -45.364 12.455 1.00 30.34 ATOM 1235 HG22 THR 74 9.178 -43.723 12.837 1.00 43.12 ATOM 1236 HG23 THR 74 8.910 -45.025 13.994 1.00 34.23 ATOM 1237 C THR 74 12.262 -42.897 15.382 1.00 75.14 ATOM 1238 O THR 74 12.203 -42.895 16.611 1.00 43.43 ATOM 1239 N GLU 75 13.406 -42.811 14.710 1.00 34.22 ATOM 1240 HN GLU 75 13.386 -42.816 13.723 1.00 37.63 ATOM 1241 CA GLU 75 14.688 -42.707 15.397 1.00 33.30 ATOM 1242 HA GLU 75 14.820 -43.597 15.997 1.00 12.14 ATOM 1243 CB GLU 75 15.830 -42.624 14.382 1.00 12.52 ATOM 1244 HB1 GLU 75 15.533 -43.115 13.472 1.00 37.63 ATOM 1245 HB2 GLU 75 16.683 -43.156 14.778 1.00 31.24 ATOM 1246 CG GLU 75 16.235 -41.200 14.038 1.00 71.22 ATOM 1247 HG1 GLU 75 15.393 -40.540 14.061 1.00 37.63 ATOM 1248 HG2 GLU 75 16.636 -41.206 13.035 1.00 22.22 ATOM 1249 CD GLU 75 17.313 -40.661 14.958 1.00 33.44 ATOM 1250 OE1 GLU 75 17.743 -39.507 14.755 1.00 43.13 ATOM 1251 OE2 GLU 75 17.726 -41.394 15.882 1.00 53.43 ATOM 1252 C GLU 75 14.717 -41.488 16.314 1.00 53.44 ATOM 1253 O GLU 75 15.506 -41.423 17.256 1.00 21.22 ATOM 1254 N LYS 76 13.850 -40.521 16.030 1.00 43.13 ATOM 1255 HN LYS 76 13.278 -40.585 15.236 1.00 37.63 ATOM 1256 CA LYS 76 13.774 -39.303 16.827 1.00 2.40 ATOM 1257 HA LYS 76 14.774 -39.039 17.146 1.00 2.24 ATOM 1258 CB LYS 76 13.186 -38.160 15.996 1.00 75.42 ATOM 1259 HB1 LYS 76 12.888 -37.350 16.653 1.00 37.63 ATOM 1260 HB2 LYS 76 12.312 -38.522 15.474 1.00 53.52 ATOM 1261 CG LYS 76 14.150 -37.597 14.966 1.00 21.54 ATOM 1262 HG1 LYS 76 13.643 -36.819 14.419 1.00 37.63 ATOM 1263 HG2 LYS 76 14.449 -38.380 14.293 1.00 11.13 ATOM 1264 CD LYS 76 15.394 -37.023 15.623 1.00 11.23 ATOM 1265 HD1 LYS 76 16.093 -37.831 15.781 1.00 37.63 ATOM 1266 HD2 LYS 76 15.153 -36.583 16.573 1.00 61.20 ATOM 1267 CE LYS 76 16.063 -35.983 14.737 1.00 73.31 ATOM 1268 HE1 LYS 76 15.393 -35.152 14.594 1.00 37.63 ATOM 1269 HE2 LYS 76 16.281 -36.432 13.777 1.00 61.24 ATOM 1270 NZ LYS 76 17.338 -35.490 15.326 1.00 11.54 ATOM 1271 HZ1 LYS 76 17.999 -36.282 15.469 1.00 51.13 ATOM 1272 HZ2 LYS 76 17.164 -35.030 16.242 1.00 23.41 ATOM 1273 HZ3 LYS 76 17.781 -34.802 14.686 1.00 42.42 ATOM 1274 C LYS 76 12.930 -39.523 18.078 1.00 55.21 ATOM 1275 O LYS 76 13.074 -38.809 19.070 1.00 74.24 ATOM 1276 N GLY 77 12.048 -40.517 18.024 1.00 22.11 ATOM 1277 HN GLY 77 11.947 -41.045 17.211 1.00 37.63 ATOM 1278 CA GLY 77 11.195 -40.814 19.160 1.00 73.14 ATOM 1279 HA1 GLY 77 11.208 -39.996 19.871 1.00 37.63 ATOM 1280 HA2 GLY 77 11.571 -41.699 19.650 1.00 74.10 ATOM 1281 C GLY 77 9.756 -41.065 18.754 1.00 61.35 ATOM 1282 O GLY 77 9.026 -41.780 19.439 1.00 51.20 ATOM 1283 N GLY 78 9.346 -40.474 17.635 1.00 65.40 ATOM 1284 HN GLY 78 9.961 -39.905 17.119 1.00 37.63 ATOM 1285 CA GLY 78 7.987 -40.649 17.159 1.00 14.41 ATOM 1286 HA1 GLY 78 7.347 -41.002 17.960 1.00 37.63 ATOM 1287 HA2 GLY 78 7.991 -41.388 16.372 1.00 34.53 ATOM 1288 C GLY 78 7.395 -39.365 16.612 1.00 12.32 ATOM 1289 O GLY 78 7.928 -38.279 16.843 1.00 43.32 ATOM 1290 N LEU 79 6.290 -39.487 15.884 1.00 23.44 ATOM 1291 HN LEU 79 5.911 -40.386 15.730 1.00 37.63 ATOM 1292 CA LEU 79 5.626 -38.327 15.301 1.00 74.20 ATOM 1293 HA LEU 79 6.277 -37.923 14.541 1.00 10.35 ATOM 1294 CB LEU 79 4.302 -38.743 14.658 1.00 73.35 ATOM 1295 HB1 LEU 79 3.711 -39.249 15.409 1.00 37.63 ATOM 1296 HB2 LEU 79 4.529 -39.448 13.877 1.00 14.23 ATOM 1297 CG LEU 79 3.457 -37.613 14.069 1.00 41.22 ATOM 1298 HG LEU 79 3.107 -36.983 14.869 1.00 41.40 ATOM 1299 CD1 LEU 79 4.290 -36.761 13.123 1.00 33.21 ATOM 1300 HD11 LEU 79 4.979 -36.164 13.702 1.00 0.40 ATOM 1301 HD12 LEU 79 3.649 -36.103 12.551 1.00 74.22 ATOM 1302 HD13 LEU 79 4.849 -37.389 12.452 1.00 60.23 ATOM 1303 CD2 LEU 79 2.239 -38.175 13.351 1.00 62.45 ATOM 1304 HD21 LEU 79 2.552 -38.786 12.517 1.00 31.40 ATOM 1305 HD22 LEU 79 1.634 -37.359 12.993 1.00 24.41 ATOM 1306 HD23 LEU 79 1.656 -38.774 14.037 1.00 61.12 ATOM 1307 C LEU 79 5.376 -37.255 16.356 1.00 3.35 ATOM 1308 O LEU 79 5.797 -36.108 16.203 1.00 54.22 ATOM 1309 N VAL 80 4.691 -37.636 17.430 1.00 42.00 ATOM 1310 HN VAL 80 4.407 -38.576 17.502 1.00 37.63 ATOM 1311 CA VAL 80 4.389 -36.708 18.513 1.00 34.11 ATOM 1312 HA VAL 80 3.756 -35.926 18.120 1.00 60.12 ATOM 1313 CB VAL 80 3.637 -37.410 19.660 1.00 51.12 ATOM 1314 HB VAL 80 4.265 -38.197 20.047 1.00 34.04 ATOM 1315 CG1 VAL 80 3.354 -36.432 20.790 1.00 33.10 ATOM 1316 HG11 VAL 80 3.097 -35.461 20.383 1.00 21.43 ATOM 1317 HG12 VAL 80 4.232 -36.339 21.408 1.00 61.00 ATOM 1318 HG13 VAL 80 2.534 -36.783 21.396 1.00 54.12 ATOM 1319 CG2 VAL 80 2.347 -38.034 19.148 1.00 45.32 ATOM 1320 HG21 VAL 80 2.570 -38.800 18.423 1.00 60.52 ATOM 1321 HG22 VAL 80 1.748 -37.276 18.693 1.00 2.32 ATOM 1322 HG23 VAL 80 1.798 -38.467 19.965 1.00 52.41 ATOM 1323 C VAL 80 5.661 -36.075 19.066 1.00 33.42 ATOM 1324 O VAL 80 5.757 -34.855 19.186 1.00 55.54 ATOM 1325 N GLU 81 6.635 -36.915 19.402 1.00 62.13 ATOM 1326 HN GLU 81 6.497 -37.886 19.286 1.00 37.63 ATOM 1327 CA GLU 81 7.902 -36.437 19.943 1.00 40.12 ATOM 1328 HA GLU 81 7.697 -35.951 20.888 1.00 42.11 ATOM 1329 CB GLU 81 8.855 -37.610 20.182 1.00 42.31 ATOM 1330 HB1 GLU 81 9.170 -38.008 19.225 1.00 37.63 ATOM 1331 HB2 GLU 81 8.319 -38.387 20.712 1.00 23.31 ATOM 1332 CG GLU 81 10.099 -37.233 20.969 1.00 50.41 ATOM 1333 HG1 GLU 81 10.259 -36.169 20.928 1.00 37.63 ATOM 1334 HG2 GLU 81 10.947 -37.733 20.526 1.00 21.13 ATOM 1335 CD GLU 81 10.014 -37.643 22.426 1.00 12.43 ATOM 1336 OE1 GLU 81 8.938 -37.457 23.032 1.00 35.12 ATOM 1337 OE2 GLU 81 11.023 -38.148 22.961 1.00 75.41 ATOM 1338 C GLU 81 8.549 -35.425 19.001 1.00 72.52 ATOM 1339 O GLU 81 9.236 -34.503 19.439 1.00 15.42 ATOM 1340 N VAL 82 8.325 -35.607 17.703 1.00 13.21 ATOM 1341 HN VAL 82 7.791 -36.376 17.399 1.00 37.63 ATOM 1342 CA VAL 82 8.884 -34.711 16.698 1.00 5.01 ATOM 1343 HA VAL 82 9.907 -34.506 16.966 1.00 12.22 ATOM 1344 CB VAL 82 8.866 -35.355 15.299 1.00 31.22 ATOM 1345 HB VAL 82 7.852 -35.627 15.058 1.00 43.45 ATOM 1346 CG1 VAL 82 9.350 -34.367 14.249 1.00 11.44 ATOM 1347 HG11 VAL 82 8.956 -34.678 13.292 1.00 2.34 ATOM 1348 HG12 VAL 82 10.420 -34.378 14.185 1.00 64.33 ATOM 1349 HG13 VAL 82 9.014 -33.365 14.441 1.00 10.31 ATOM 1350 CG2 VAL 82 9.712 -36.619 15.284 1.00 45.02 ATOM 1351 HG21 VAL 82 9.371 -37.303 16.025 1.00 72.03 ATOM 1352 HG22 VAL 82 10.742 -36.363 15.492 1.00 54.01 ATOM 1353 HG23 VAL 82 9.654 -37.078 14.311 1.00 71.12 ATOM 1354 C VAL 82 8.119 -33.393 16.649 1.00 21.41 ATOM 1355 O VAL 82 8.715 -32.322 16.533 1.00 11.15 ATOM 1356 N ILE 83 6.796 -33.480 16.738 1.00 23.32 ATOM 1357 HN ILE 83 6.373 -34.365 16.835 1.00 37.63 ATOM 1358 CA ILE 83 5.949 -32.294 16.706 1.00 64.54 ATOM 1359 HA ILE 83 6.191 -31.728 15.813 1.00 74.21 ATOM 1360 CB ILE 83 4.457 -32.670 16.649 1.00 52.03 ATOM 1361 HB ILE 83 4.221 -33.245 17.536 1.00 74.21 ATOM 1362 CG1 ILE 83 4.168 -33.514 15.406 1.00 60.41 ATOM 1363 HG11 ILE 83 4.979 -34.194 15.222 1.00 37.63 ATOM 1364 HG12 ILE 83 4.074 -32.879 14.548 1.00 53.11 ATOM 1365 CG2 ILE 83 3.595 -31.417 16.656 1.00 14.52 ATOM 1366 HG21 ILE 83 3.930 -30.736 15.885 1.00 45.20 ATOM 1367 HG22 ILE 83 3.657 -30.931 17.618 1.00 62.43 ATOM 1368 HG23 ILE 83 2.564 -31.684 16.470 1.00 52.11 ATOM 1369 CD1 ILE 83 2.912 -34.350 15.522 1.00 65.14 ATOM 1370 HD11 ILE 83 2.075 -33.720 15.778 1.00 3.33 ATOM 1371 HD12 ILE 83 3.047 -35.090 16.292 1.00 14.41 ATOM 1372 HD13 ILE 83 2.717 -34.845 14.587 1.00 34.34 ATOM 1373 C ILE 83 6.194 -31.411 17.924 1.00 14.12 ATOM 1374 O ILE 83 6.105 -30.187 17.843 1.00 3.54 ATOM 1375 N ASN 84 6.503 -32.041 19.053 1.00 60.02 ATOM 1376 HN ASN 84 6.557 -33.025 19.067 1.00 37.63 ATOM 1377 CA ASN 84 6.762 -31.312 20.289 1.00 12.11 ATOM 1378 HA ASN 84 6.099 -30.454 20.330 1.00 11.42 ATOM 1379 CB ASN 84 6.485 -32.205 21.500 1.00 65.40 ATOM 1380 HB1 ASN 84 6.787 -31.689 22.404 1.00 37.63 ATOM 1381 HB2 ASN 84 7.063 -33.113 21.404 1.00 55.25 ATOM 1382 CG ASN 84 5.017 -32.562 21.632 1.00 4.25 ATOM 1383 OD1 ASN 84 4.148 -31.692 21.576 1.00 44.43 ATOM 1384 ND2 ASN 84 4.735 -33.847 21.810 1.00 15.05 ATOM 1385 HD21 ASN 84 5.466 -34.504 21.841 1.00 42.51 ATOM 1386 HD22 ASN 84 3.795 -34.084 21.929 1.00 24.45 ATOM 1387 C ASN 84 8.201 -30.808 20.332 1.00 24.45 ATOM 1388 O ASN 84 8.459 -29.662 20.699 1.00 2.34 ATOM 1389 N LYS 85 9.137 -31.673 19.955 1.00 75.42 ATOM 1390 HN LYS 85 8.873 -32.583 19.678 1.00 37.63 ATOM 1391 CA LYS 85 10.551 -31.318 19.948 1.00 15.20 ATOM 1392 HA LYS 85 10.815 -30.958 20.936 1.00 1.45 ATOM 1393 CB LYS 85 11.404 -32.544 19.616 1.00 43.44 ATOM 1394 HB1 LYS 85 12.379 -32.219 19.268 1.00 37.63 ATOM 1395 HB2 LYS 85 10.927 -33.086 18.820 1.00 42.24 ATOM 1396 CG LYS 85 11.592 -33.490 20.788 1.00 30.35 ATOM 1397 HG1 LYS 85 11.381 -34.490 20.454 1.00 37.63 ATOM 1398 HG2 LYS 85 10.918 -33.233 21.595 1.00 43.15 ATOM 1399 CD LYS 85 13.021 -33.462 21.305 1.00 53.20 ATOM 1400 HD1 LYS 85 13.696 -33.726 20.502 1.00 37.63 ATOM 1401 HD2 LYS 85 13.115 -34.182 22.105 1.00 3.04 ATOM 1402 CE LYS 85 13.394 -32.086 21.835 1.00 22.14 ATOM 1403 HE1 LYS 85 12.559 -31.673 22.389 1.00 37.63 ATOM 1404 HE2 LYS 85 13.622 -31.442 20.999 1.00 71.03 ATOM 1405 NZ LYS 85 14.579 -32.142 22.736 1.00 41.33 ATOM 1406 HZ1 LYS 85 14.808 -31.187 23.080 1.00 61.11 ATOM 1407 HZ2 LYS 85 15.405 -32.519 22.226 1.00 10.21 ATOM 1408 HZ3 LYS 85 14.382 -32.754 23.556 1.00 23.21 ATOM 1409 C LYS 85 10.827 -30.205 18.942 1.00 11.23 ATOM 1410 O LYS 85 11.875 -29.560 18.986 1.00 13.13 ATOM 1411 N LYS 86 9.880 -29.983 18.037 1.00 71.31 ATOM 1412 HN LYS 86 9.091 -30.555 17.983 1.00 37.63 ATOM 1413 CA LYS 86 10.019 -28.946 17.021 1.00 22.34 ATOM 1414 HA LYS 86 9.203 -29.054 16.323 1.00 54.44 ATOM 1415 CB LYS 86 9.943 -27.560 17.665 1.00 43.11 ATOM 1416 HB1 LYS 86 10.052 -26.803 16.898 1.00 37.63 ATOM 1417 HB2 LYS 86 10.762 -27.459 18.365 1.00 31.12 ATOM 1418 CG LYS 86 8.653 -27.313 18.428 1.00 63.23 ATOM 1419 HG1 LYS 86 8.853 -26.578 19.196 1.00 37.63 ATOM 1420 HG2 LYS 86 8.317 -28.225 18.889 1.00 4.13 ATOM 1421 CD LYS 86 7.553 -26.804 17.512 1.00 13.01 ATOM 1422 HD1 LYS 86 6.935 -27.639 17.216 1.00 37.63 ATOM 1423 HD2 LYS 86 7.980 -26.343 16.630 1.00 51.11 ATOM 1424 CE LYS 86 6.678 -25.775 18.211 1.00 12.30 ATOM 1425 HE1 LYS 86 5.864 -25.500 17.563 1.00 37.63 ATOM 1426 HE2 LYS 86 7.278 -24.900 18.416 1.00 51.35 ATOM 1427 NZ LYS 86 6.133 -26.291 19.497 1.00 21.41 ATOM 1428 HZ1 LYS 86 6.818 -26.128 20.262 1.00 32.41 ATOM 1429 HZ2 LYS 86 5.939 -27.309 19.440 1.00 42.31 ATOM 1430 HZ3 LYS 86 5.249 -25.796 19.732 1.00 32.22 ATOM 1431 C LYS 86 11.336 -29.097 16.267 1.00 4.11 ATOM 1432 O LYS 86 11.892 -28.119 15.765 1.00 14.52 ATOM 1433 N LEU 87 11.831 -30.327 16.190 1.00 60.35 ATOM 1434 HN LEU 87 11.322 -31.068 16.552 1.00 37.63 ATOM 1435 CA LEU 87 13.083 -30.606 15.495 1.00 71.35 ATOM 1436 HA LEU 87 13.693 -29.710 15.491 1.00 62.44 ATOM 1437 CB LEU 87 13.857 -31.708 16.220 1.00 64.10 ATOM 1438 HB1 LEU 87 13.710 -31.579 17.286 1.00 37.63 ATOM 1439 HB2 LEU 87 14.907 -31.569 16.006 1.00 51.25 ATOM 1440 CG LEU 87 13.486 -33.145 15.850 1.00 1.50 ATOM 1441 HG LEU 87 13.802 -33.363 14.845 1.00 21.04 ATOM 1442 CD1 LEU 87 14.205 -34.132 16.756 1.00 45.13 ATOM 1443 HD11 LEU 87 13.821 -35.120 16.580 1.00 61.54 ATOM 1444 HD12 LEU 87 14.037 -33.868 17.792 1.00 2.53 ATOM 1445 HD13 LEU 87 15.260 -34.108 16.548 1.00 4.01 ATOM 1446 CD2 LEU 87 11.980 -33.344 15.931 1.00 54.33 ATOM 1447 HD21 LEU 87 11.473 -32.761 15.187 1.00 32.41 ATOM 1448 HD22 LEU 87 11.630 -33.063 16.906 1.00 44.34 ATOM 1449 HD23 LEU 87 11.754 -34.389 15.771 1.00 3.24 ATOM 1450 C LEU 87 12.823 -31.019 14.049 1.00 2.22 ATOM 1451 O LEU 87 13.664 -31.656 13.415 1.00 71.12 ATOM 1452 N TRP 88 11.656 -30.649 13.535 1.00 32.40 ATOM 1453 HN TRP 88 11.016 -30.147 14.070 1.00 37.63 ATOM 1454 CA TRP 88 11.286 -30.979 12.163 1.00 24.41 ATOM 1455 HA TRP 88 11.108 -32.045 12.118 1.00 62.54 ATOM 1456 CB TRP 88 10.016 -30.228 11.761 1.00 62.45 ATOM 1457 HB1 TRP 88 10.029 -30.026 10.696 1.00 37.63 ATOM 1458 HB2 TRP 88 9.976 -29.286 12.291 1.00 51.24 ATOM 1459 CG TRP 88 8.758 -30.989 12.054 1.00 44.21 ATOM 1460 CD1 TRP 88 7.756 -30.618 12.904 1.00 52.12 ATOM 1461 HD1 TRP 88 7.755 -29.707 13.483 1.00 42.33 ATOM 1462 CD2 TRP 88 8.371 -32.251 11.499 1.00 13.53 ATOM 1463 NE1 TRP 88 6.768 -31.573 12.911 1.00 61.10 ATOM 1464 HE1 TRP 88 5.944 -31.535 13.440 1.00 51.04 ATOM 1465 CE2 TRP 88 7.121 -32.584 12.057 1.00 31.40 ATOM 1466 CE3 TRP 88 8.956 -33.130 10.584 1.00 2.35 ATOM 1467 HE3 TRP 88 9.906 -32.907 10.134 1.00 23.20 ATOM 1468 CZ2 TRP 88 6.450 -33.760 11.730 1.00 41.44 ATOM 1469 HZ2 TRP 88 5.494 -34.010 12.164 1.00 4.43 ATOM 1470 CZ3 TRP 88 8.289 -34.296 10.261 1.00 43.12 ATOM 1471 HZ3 TRP 88 8.720 -34.983 9.555 1.00 53.20 ATOM 1472 CH2 TRP 88 7.047 -34.602 10.831 1.00 33.13 ATOM 1473 HH2 TRP 88 6.563 -35.525 10.549 1.00 70.14 ATOM 1474 C TRP 88 12.418 -30.643 11.199 1.00 42.44 ATOM 1475 O TRP 88 12.594 -31.307 10.178 1.00 62.45 ATOM 1476 N ARG 89 13.183 -29.607 11.529 1.00 51.01 ATOM 1477 HN ARG 89 12.941 -29.056 12.307 1.00 37.63 ATOM 1478 CA ARG 89 14.297 -29.182 10.690 1.00 24.15 ATOM 1479 HA ARG 89 13.891 -28.798 9.766 1.00 75.13 ATOM 1480 CB ARG 89 15.090 -28.072 11.383 1.00 21.11 ATOM 1481 HB1 ARG 89 14.515 -27.158 11.320 1.00 37.63 ATOM 1482 HB2 ARG 89 16.023 -27.924 10.852 1.00 54.43 ATOM 1483 CG ARG 89 15.368 -28.348 12.852 1.00 44.24 ATOM 1484 HG1 ARG 89 15.282 -29.399 13.062 1.00 37.63 ATOM 1485 HG2 ARG 89 14.638 -27.812 13.441 1.00 51.24 ATOM 1486 CD ARG 89 16.762 -27.888 13.250 1.00 10.24 ATOM 1487 HD1 ARG 89 17.230 -27.331 12.447 1.00 37.63 ATOM 1488 HD2 ARG 89 17.358 -28.766 13.454 1.00 54.43 ATOM 1489 NE ARG 89 16.742 -27.063 14.455 1.00 1.33 ATOM 1490 HE ARG 89 17.022 -27.487 15.296 1.00 25.41 ATOM 1491 CZ ARG 89 16.369 -25.788 14.467 1.00 75.01 ATOM 1492 NH1 ARG 89 15.985 -25.196 13.344 1.00 3.23 ATOM 1493 HH11 ARG 89 15.965 -25.683 12.475 1.00 52.43 ATOM 1494 HH12 ARG 89 15.707 -24.233 13.365 1.00 23.10 ATOM 1495 NH2 ARG 89 16.377 -25.103 15.603 1.00 23.24 ATOM 1496 HH21 ARG 89 16.664 -25.545 16.455 1.00 63.42 ATOM 1497 HH22 ARG 89 16.096 -24.141 15.614 1.00 22.12 ATOM 1498 C ARG 89 15.218 -30.357 10.373 1.00 33.11 ATOM 1499 O ARG 89 15.762 -30.452 9.274 1.00 51.55 ATOM 1500 N GLU 90 15.387 -31.249 11.344 1.00 34.12 ATOM 1501 HN GLU 90 14.922 -31.136 12.200 1.00 37.63 ATOM 1502 CA GLU 90 16.242 -32.417 11.168 1.00 43.42 ATOM 1503 HA GLU 90 17.199 -32.084 10.786 1.00 62.33 ATOM 1504 CB GLU 90 16.467 -33.119 12.508 1.00 32.33 ATOM 1505 HB1 GLU 90 17.060 -34.012 12.350 1.00 37.63 ATOM 1506 HB2 GLU 90 15.507 -33.406 12.914 1.00 43.14 ATOM 1507 CG GLU 90 17.171 -32.253 13.539 1.00 31.01 ATOM 1508 HG1 GLU 90 17.133 -32.752 14.495 1.00 37.63 ATOM 1509 HG2 GLU 90 16.657 -31.305 13.614 1.00 5.20 ATOM 1510 CD GLU 90 18.622 -31.989 13.186 1.00 12.12 ATOM 1511 OE1 GLU 90 18.876 -31.102 12.345 1.00 4.45 ATOM 1512 OE2 GLU 90 19.503 -32.670 13.752 1.00 73.34 ATOM 1513 C GLU 90 15.632 -33.392 10.166 1.00 73.23 ATOM 1514 O GLU 90 16.325 -33.918 9.294 1.00 13.30 ATOM 1515 N ILE 91 14.331 -33.629 10.297 1.00 30.43 ATOM 1516 HN ILE 91 13.829 -33.148 10.990 1.00 37.63 ATOM 1517 CA ILE 91 13.627 -34.541 9.404 1.00 51.22 ATOM 1518 HA ILE 91 14.101 -35.512 9.473 1.00 32.21 ATOM 1519 CB ILE 91 12.146 -34.685 9.800 1.00 73.21 ATOM 1520 HB ILE 91 11.654 -33.745 9.615 1.00 54.42 ATOM 1521 CG1 ILE 91 12.024 -35.027 11.286 1.00 34.42 ATOM 1522 HG11 ILE 91 10.978 -35.142 11.536 1.00 37.63 ATOM 1523 HG12 ILE 91 12.434 -34.231 11.884 1.00 70.43 ATOM 1524 CG2 ILE 91 11.471 -35.750 8.948 1.00 22.44 ATOM 1525 HG21 ILE 91 10.498 -35.984 9.351 1.00 34.11 ATOM 1526 HG22 ILE 91 12.072 -36.649 8.936 1.00 60.02 ATOM 1527 HG23 ILE 91 11.356 -35.383 7.940 1.00 33.24 ATOM 1528 CD1 ILE 91 12.727 -36.310 11.671 1.00 45.12 ATOM 1529 HD11 ILE 91 12.553 -36.501 12.715 1.00 11.21 ATOM 1530 HD12 ILE 91 13.788 -36.224 11.496 1.00 15.33 ATOM 1531 HD13 ILE 91 12.325 -37.125 11.094 1.00 41.33 ATOM 1532 C ILE 91 13.711 -34.066 7.957 1.00 32.40 ATOM 1533 O ILE 91 13.917 -34.863 7.041 1.00 22.30 ATOM 1534 N THR 92 13.551 -32.762 7.757 1.00 10.34 ATOM 1535 HN THR 92 13.382 -32.168 8.527 1.00 37.63 ATOM 1536 CA THR 92 13.609 -32.180 6.422 1.00 1.05 ATOM 1537 HA THR 92 12.965 -32.765 5.775 1.00 73.45 ATOM 1538 CB THR 92 13.131 -30.716 6.426 1.00 4.45 ATOM 1539 HB THR 92 13.898 -30.077 6.002 1.00 44.12 ATOM 1540 OG1 THR 92 12.877 -30.287 7.769 1.00 51.01 ATOM 1541 HG1 THR 92 12.950 -29.330 7.823 1.00 24.11 ATOM 1542 CG2 THR 92 11.871 -30.555 5.590 1.00 60.21 ATOM 1543 HG21 THR 92 11.315 -31.476 5.542 1.00 21.12 ATOM 1544 HG22 THR 92 12.152 -30.265 4.588 1.00 22.41 ATOM 1545 HG23 THR 92 11.254 -29.780 6.017 1.00 54.12 ATOM 1546 C THR 92 15.024 -32.240 5.858 1.00 51.51 ATOM 1547 O THR 92 15.231 -32.650 4.716 1.00 42.13 ATOM 1548 N LYS 93 15.996 -31.828 6.665 1.00 32.21 ATOM 1549 HN LYS 93 15.768 -31.503 7.569 1.00 37.63 ATOM 1550 CA LYS 93 17.393 -31.836 6.248 1.00 73.35 ATOM 1551 HA LYS 93 17.475 -31.227 5.356 1.00 45.33 ATOM 1552 CB LYS 93 18.278 -31.244 7.346 1.00 3.11 ATOM 1553 HB1 LYS 93 18.529 -32.015 8.064 1.00 37.63 ATOM 1554 HB2 LYS 93 17.726 -30.471 7.863 1.00 43.24 ATOM 1555 CG LYS 93 19.574 -30.646 6.826 1.00 1.13 ATOM 1556 HG1 LYS 93 19.912 -31.208 5.963 1.00 37.63 ATOM 1557 HG2 LYS 93 20.318 -30.710 7.607 1.00 31.04 ATOM 1558 CD LYS 93 19.399 -29.187 6.440 1.00 44.23 ATOM 1559 HD1 LYS 93 19.193 -28.612 7.331 1.00 37.63 ATOM 1560 HD2 LYS 93 18.571 -29.097 5.750 1.00 53.14 ATOM 1561 CE LYS 93 20.649 -28.633 5.772 1.00 21.53 ATOM 1562 HE1 LYS 93 20.431 -27.641 5.403 1.00 37.63 ATOM 1563 HE2 LYS 93 20.922 -29.270 4.942 1.00 75.23 ATOM 1564 NZ LYS 93 21.794 -28.552 6.721 1.00 45.14 ATOM 1565 HZ1 LYS 93 22.613 -28.116 6.250 1.00 35.35 ATOM 1566 HZ2 LYS 93 22.066 -29.502 7.044 1.00 23.31 ATOM 1567 HZ3 LYS 93 21.540 -27.974 7.550 1.00 0.03 ATOM 1568 C LYS 93 17.854 -33.252 5.917 1.00 75.31 ATOM 1569 O LYS 93 18.694 -33.453 5.041 1.00 74.41 ATOM 1570 N GLY 94 17.297 -34.231 6.623 1.00 35.44 ATOM 1571 HN GLY 94 16.643 -34.029 7.328 1.00 37.63 ATOM 1572 CA GLY 94 17.662 -35.616 6.389 1.00 62.12 ATOM 1573 HA1 GLY 94 17.038 -36.249 7.003 1.00 37.63 ATOM 1574 HA2 GLY 94 18.694 -35.761 6.675 1.00 50.23 ATOM 1575 C GLY 94 17.493 -36.023 4.938 1.00 1.43 ATOM 1576 O GLY 94 18.286 -36.801 4.407 1.00 22.44 ATOM 1577 N LEU 95 16.457 -35.497 4.295 1.00 14.42 ATOM 1578 HN LEU 95 15.886 -34.839 4.752 1.00 37.63 ATOM 1579 CA LEU 95 16.184 -35.810 2.897 1.00 64.52 ATOM 1580 HA LEU 95 16.620 -36.774 2.659 1.00 51.11 ATOM 1581 CB LEU 95 14.676 -35.895 2.657 1.00 60.50 ATOM 1582 HB1 LEU 95 14.510 -36.625 1.876 1.00 37.63 ATOM 1583 HB2 LEU 95 14.323 -34.943 2.299 1.00 71.14 ATOM 1584 CG LEU 95 13.826 -36.292 3.864 1.00 13.35 ATOM 1585 HG LEU 95 13.979 -35.587 4.664 1.00 75.12 ATOM 1586 CD1 LEU 95 12.347 -36.256 3.511 1.00 50.41 ATOM 1587 HD11 LEU 95 11.814 -35.756 4.303 1.00 22.22 ATOM 1588 HD12 LEU 95 11.955 -37.259 3.396 1.00 63.34 ATOM 1589 HD13 LEU 95 12.189 -35.713 2.589 1.00 30.14 ATOM 1590 CD2 LEU 95 14.222 -37.672 4.366 1.00 24.52 ATOM 1591 HD21 LEU 95 13.513 -38.018 5.106 1.00 50.25 ATOM 1592 HD22 LEU 95 15.204 -37.629 4.810 1.00 61.50 ATOM 1593 HD23 LEU 95 14.238 -38.356 3.534 1.00 30.21 ATOM 1594 C LEU 95 16.799 -34.763 1.974 1.00 63.10 ATOM 1595 O LEU 95 16.502 -34.722 0.781 1.00 1.30 ATOM 1596 N ASN 96 17.660 -33.920 2.535 1.00 51.20 ATOM 1597 HN ASN 96 17.890 -33.991 3.465 1.00 37.63 ATOM 1598 CA ASN 96 18.319 -32.873 1.762 1.00 75.11 ATOM 1599 HA ASN 96 18.994 -32.361 2.430 1.00 51.34 ATOM 1600 CB ASN 96 19.099 -33.485 0.597 1.00 24.22 ATOM 1601 HB1 ASN 96 18.440 -33.676 -0.240 1.00 37.63 ATOM 1602 HB2 ASN 96 19.535 -34.421 0.918 1.00 13.41 ATOM 1603 CG ASN 96 20.226 -32.589 0.122 1.00 5.42 ATOM 1604 OD1 ASN 96 20.289 -32.220 -1.051 1.00 21.12 ATOM 1605 ND2 ASN 96 21.124 -32.233 1.034 1.00 21.40 ATOM 1606 HD21 ASN 96 21.032 -32.558 1.957 1.00 12.15 ATOM 1607 HD22 ASN 96 21.856 -31.649 0.745 1.00 10.43 ATOM 1608 C ASN 96 17.302 -31.866 1.233 1.00 11.35 ATOM 1609 O ASN 96 17.330 -31.497 0.059 1.00 41.53 ATOM 1610 N LEU 97 16.405 -31.424 2.108 1.00 22.25 ATOM 1611 HN LEU 97 16.439 -31.736 3.043 1.00 37.63 ATOM 1612 CA LEU 97 15.379 -30.458 1.731 1.00 20.41 ATOM 1613 HA LEU 97 15.304 -30.449 0.652 1.00 15.32 ATOM 1614 CB LEU 97 14.023 -30.875 2.304 1.00 3.13 ATOM 1615 HB1 LEU 97 13.265 -30.239 1.876 1.00 37.63 ATOM 1616 HB2 LEU 97 14.039 -30.708 3.375 1.00 44.34 ATOM 1617 CG LEU 97 13.615 -32.330 2.072 1.00 31.12 ATOM 1618 HG LEU 97 14.245 -32.967 2.659 1.00 34.32 ATOM 1619 CD1 LEU 97 12.176 -32.557 2.509 1.00 52.34 ATOM 1620 HD11 LEU 97 11.892 -33.580 2.311 1.00 33.10 ATOM 1621 HD12 LEU 97 11.519 -31.893 1.965 1.00 3.10 ATOM 1622 HD13 LEU 97 12.086 -32.363 3.566 1.00 15.41 ATOM 1623 CD2 LEU 97 13.796 -32.708 0.609 1.00 24.14 ATOM 1624 HD21 LEU 97 14.842 -32.688 0.349 1.00 31.14 ATOM 1625 HD22 LEU 97 13.253 -32.016 -0.021 1.00 11.34 ATOM 1626 HD23 LEU 97 13.413 -33.704 0.456 1.00 51.43 ATOM 1627 C LEU 97 15.742 -29.060 2.219 1.00 41.40 ATOM 1628 O LEU 97 16.456 -28.886 3.207 1.00 44.24 ATOM 1629 N PRO 98 15.238 -28.037 1.513 1.00 54.21 ATOM 1630 CA PRO 98 15.493 -26.635 1.857 1.00 1.00 ATOM 1631 HA PRO 98 16.555 -26.439 1.932 1.00 1.33 ATOM 1632 CB PRO 98 14.919 -25.867 0.664 1.00 13.53 ATOM 1633 HB1 PRO 98 15.705 -25.685 -0.053 1.00 37.63 ATOM 1634 HB2 PRO 98 14.495 -24.921 0.981 1.00 53.01 ATOM 1635 CG PRO 98 13.879 -26.770 0.097 1.00 62.24 ATOM 1636 HG1 PRO 98 13.768 -26.581 -0.960 1.00 37.63 ATOM 1637 HG2 PRO 98 12.948 -26.615 0.602 1.00 63.54 ATOM 1638 CD PRO 98 14.378 -28.170 0.324 1.00 24.24 ATOM 1639 HD1 PRO 98 14.945 -28.517 -0.527 1.00 37.63 ATOM 1640 HD2 PRO 98 13.558 -28.821 0.524 1.00 74.44 ATOM 1641 C PRO 98 14.794 -26.218 3.146 1.00 12.22 ATOM 1642 O PRO 98 13.608 -26.488 3.337 1.00 34.25 ATOM 1643 N THR 99 15.536 -25.557 4.029 1.00 13.25 ATOM 1644 HN THR 99 16.472 -25.369 3.807 1.00 37.63 ATOM 1645 CA THR 99 14.987 -25.103 5.301 1.00 0.20 ATOM 1646 HA THR 99 14.313 -25.863 5.679 1.00 32.54 ATOM 1647 CB THR 99 16.097 -24.893 6.349 1.00 55.43 ATOM 1648 HB THR 99 16.562 -25.847 6.554 1.00 33.44 ATOM 1649 OG1 THR 99 15.535 -24.374 7.560 1.00 60.24 ATOM 1650 HG1 THR 99 16.102 -24.600 8.302 1.00 51.12 ATOM 1651 CG2 THR 99 17.159 -23.938 5.827 1.00 4.50 ATOM 1652 HG21 THR 99 17.701 -24.398 5.017 1.00 10.10 ATOM 1653 HG22 THR 99 17.849 -23.712 6.626 1.00 13.21 ATOM 1654 HG23 THR 99 16.708 -23.019 5.484 1.00 32.43 ATOM 1655 C THR 99 14.211 -23.802 5.132 1.00 53.23 ATOM 1656 O THR 99 13.663 -23.265 6.095 1.00 40.15 ATOM 1657 N SER 100 14.167 -23.300 3.902 1.00 73.13 ATOM 1658 HN SER 100 14.636 -23.739 3.168 1.00 37.63 ATOM 1659 CA SER 100 13.459 -22.059 3.607 1.00 64.50 ATOM 1660 HA SER 100 13.662 -21.350 4.400 1.00 71.02 ATOM 1661 CB SER 100 13.954 -21.467 2.286 1.00 1.12 ATOM 1662 HB1 SER 100 13.529 -22.010 1.451 1.00 37.63 ATOM 1663 HB2 SER 100 15.032 -21.541 2.245 1.00 60.31 ATOM 1664 OG SER 100 13.598 -20.100 2.175 1.00 12.23 ATOM 1665 HG SER 100 12.684 -20.027 1.889 1.00 64.15 ATOM 1666 C SER 100 11.954 -22.296 3.539 1.00 14.41 ATOM 1667 O SER 100 11.162 -21.357 3.632 1.00 4.31 ATOM 1668 N ILE 101 11.566 -23.556 3.376 1.00 14.05 ATOM 1669 HN ILE 101 12.238 -24.264 3.314 1.00 37.63 ATOM 1670 CA ILE 101 10.156 -23.916 3.297 1.00 35.42 ATOM 1671 HA ILE 101 9.770 -23.520 2.364 1.00 35.41 ATOM 1672 CB ILE 101 9.965 -25.445 3.287 1.00 12.31 ATOM 1673 HB ILE 101 10.383 -25.835 4.195 1.00 64.00 ATOM 1674 CG1 ILE 101 10.705 -26.065 2.100 1.00 31.02 ATOM 1675 HG11 ILE 101 11.666 -25.597 1.972 1.00 37.63 ATOM 1676 HG12 ILE 101 10.130 -25.921 1.196 1.00 23.21 ATOM 1677 CG2 ILE 101 8.485 -25.793 3.236 1.00 32.43 ATOM 1678 HG21 ILE 101 8.035 -25.343 2.362 1.00 41.51 ATOM 1679 HG22 ILE 101 7.987 -25.435 4.118 1.00 2.40 ATOM 1680 HG23 ILE 101 8.367 -26.866 3.180 1.00 30.03 ATOM 1681 CD1 ILE 101 10.954 -27.549 2.252 1.00 21.25 ATOM 1682 HD11 ILE 101 11.500 -27.916 1.398 1.00 11.32 ATOM 1683 HD12 ILE 101 10.008 -28.065 2.318 1.00 24.34 ATOM 1684 HD13 ILE 101 11.523 -27.732 3.150 1.00 42.22 ATOM 1685 C ILE 101 9.371 -23.325 4.463 1.00 35.11 ATOM 1686 O ILE 101 9.617 -23.655 5.624 1.00 61.13 ATOM 1687 N THR 102 8.421 -22.449 4.147 1.00 24.50 ATOM 1688 HN THR 102 8.268 -22.222 3.199 1.00 37.63 ATOM 1689 CA THR 102 7.599 -21.812 5.168 1.00 71.25 ATOM 1690 HA THR 102 8.247 -21.215 5.796 1.00 11.32 ATOM 1691 CB THR 102 6.545 -20.881 4.539 1.00 71.21 ATOM 1692 HB THR 102 5.922 -21.450 3.868 1.00 10.14 ATOM 1693 OG1 THR 102 7.190 -19.848 3.786 1.00 24.04 ATOM 1694 HG1 THR 102 7.773 -19.321 4.349 1.00 1.25 ATOM 1695 CG2 THR 102 5.664 -20.259 5.612 1.00 73.23 ATOM 1696 HG21 THR 102 5.119 -19.430 5.185 1.00 12.42 ATOM 1697 HG22 THR 102 6.272 -19.899 6.432 1.00 11.13 ATOM 1698 HG23 THR 102 4.960 -20.992 5.978 1.00 13.24 ATOM 1699 C THR 102 6.893 -22.850 6.032 1.00 75.42 ATOM 1700 O THR 102 7.265 -23.069 7.185 1.00 73.35 ATOM 1701 N SER 103 5.872 -23.488 5.467 1.00 12.15 ATOM 1702 HN SER 103 5.652 -23.326 4.523 1.00 37.63 ATOM 1703 CA SER 103 5.111 -24.502 6.188 1.00 1.34 ATOM 1704 HA SER 103 5.086 -24.237 7.239 1.00 3.13 ATOM 1705 CB SER 103 3.673 -24.556 5.669 1.00 62.13 ATOM 1706 HB1 SER 103 3.130 -23.707 6.060 1.00 37.63 ATOM 1707 HB2 SER 103 3.184 -25.465 5.996 1.00 12.45 ATOM 1708 OG SER 103 3.640 -24.497 4.253 1.00 31.23 ATOM 1709 HG SER 103 3.533 -23.586 3.967 1.00 23.32 ATOM 1710 C SER 103 5.766 -25.873 6.050 1.00 10.33 ATOM 1711 O SER 103 5.121 -26.844 5.657 1.00 32.24 ATOM 1712 N ALA 104 7.052 -25.942 6.376 1.00 25.54 ATOM 1713 HN ALA 104 7.509 -25.150 6.727 1.00 37.63 ATOM 1714 CA ALA 104 7.795 -27.194 6.291 1.00 4.41 ATOM 1715 HA ALA 104 7.578 -27.658 5.336 1.00 74.43 ATOM 1716 CB ALA 104 9.292 -26.924 6.346 1.00 52.42 ATOM 1717 HB1 ALA 104 9.496 -25.956 5.940 1.00 73.33 ATOM 1718 HB2 ALA 104 9.812 -27.670 5.764 1.00 23.31 ATOM 1719 HB3 ALA 104 9.647 -26.959 7.369 1.00 31.11 ATOM 1720 C ALA 104 7.388 -28.151 7.405 1.00 34.35 ATOM 1721 O ALA 104 6.967 -29.278 7.145 1.00 32.12 ATOM 1722 N ALA 105 7.516 -27.696 8.647 1.00 11.23 ATOM 1723 HN ALA 105 7.855 -26.780 8.792 1.00 37.63 ATOM 1724 CA ALA 105 7.159 -28.512 9.801 1.00 23.01 ATOM 1725 HA ALA 105 7.672 -29.462 9.718 1.00 53.33 ATOM 1726 CB ALA 105 7.624 -27.842 11.086 1.00 42.04 ATOM 1727 HB1 ALA 105 7.358 -26.794 11.055 1.00 51.13 ATOM 1728 HB2 ALA 105 8.693 -27.931 11.172 1.00 63.03 ATOM 1729 HB3 ALA 105 7.153 -28.297 11.940 1.00 12.31 ATOM 1730 C ALA 105 5.657 -28.768 9.849 1.00 13.34 ATOM 1731 O ALA 105 5.209 -29.808 10.333 1.00 1.31 ATOM 1732 N PHE 106 4.882 -27.812 9.346 1.00 62.42 ATOM 1733 HN PHE 106 5.289 -26.994 8.979 1.00 37.63 ATOM 1734 CA PHE 106 3.429 -27.934 9.333 1.00 1.23 ATOM 1735 HA PHE 106 3.116 -28.300 10.305 1.00 71.24 ATOM 1736 CB PHE 106 2.784 -26.570 9.076 1.00 24.14 ATOM 1737 HB1 PHE 106 2.640 -26.422 8.010 1.00 37.63 ATOM 1738 HB2 PHE 106 3.448 -25.794 9.440 1.00 22.21 ATOM 1739 CG PHE 106 1.464 -26.391 9.769 1.00 31.24 ATOM 1740 CD1 PHE 106 0.283 -26.381 9.046 1.00 75.03 ATOM 1741 HD1 PHE 106 0.313 -26.504 7.972 1.00 4.12 ATOM 1742 CD2 PHE 106 1.404 -26.233 11.145 1.00 42.44 ATOM 1743 HD2 PHE 106 2.317 -26.239 11.724 1.00 33.33 ATOM 1744 CE1 PHE 106 -0.934 -26.217 9.680 1.00 14.03 ATOM 1745 HE1 PHE 106 -1.848 -26.211 9.104 1.00 64.42 ATOM 1746 CE2 PHE 106 0.190 -26.069 11.785 1.00 43.43 ATOM 1747 HE2 PHE 106 0.157 -25.946 12.857 1.00 61.40 ATOM 1748 CZ PHE 106 -0.980 -26.060 11.052 1.00 53.54 ATOM 1749 HZ PHE 106 -1.927 -25.933 11.544 1.00 1.15 ATOM 1750 C PHE 106 2.976 -28.931 8.271 1.00 33.33 ATOM 1751 O PHE 106 2.147 -29.803 8.535 1.00 61.52 ATOM 1752 N THR 107 3.525 -28.796 7.068 1.00 31.21 ATOM 1753 HN THR 107 4.185 -28.079 6.913 1.00 37.63 ATOM 1754 CA THR 107 3.177 -29.683 5.965 1.00 31.12 ATOM 1755 HA THR 107 2.097 -29.762 5.917 1.00 71.23 ATOM 1756 CB THR 107 3.674 -29.126 4.618 1.00 52.31 ATOM 1757 HB THR 107 4.744 -29.005 4.668 1.00 4.44 ATOM 1758 OG1 THR 107 3.072 -27.852 4.363 1.00 54.14 ATOM 1759 HG1 THR 107 3.631 -27.343 3.769 1.00 71.14 ATOM 1760 CG2 THR 107 3.347 -30.084 3.482 1.00 13.33 ATOM 1761 HG21 THR 107 2.310 -30.387 3.541 1.00 40.03 ATOM 1762 HG22 THR 107 3.984 -30.954 3.535 1.00 41.23 ATOM 1763 HG23 THR 107 3.514 -29.583 2.540 1.00 53.34 ATOM 1764 C THR 107 3.762 -31.075 6.173 1.00 23.13 ATOM 1765 O THR 107 3.173 -32.076 5.763 1.00 55.43 ATOM 1766 N LEU 108 4.925 -31.133 6.814 1.00 73.24 ATOM 1767 HN LEU 108 5.362 -30.301 7.110 1.00 37.63 ATOM 1768 CA LEU 108 5.590 -32.404 7.077 1.00 22.34 ATOM 1769 HA LEU 108 5.674 -32.935 6.142 1.00 14.21 ATOM 1770 CB LEU 108 6.983 -32.162 7.661 1.00 1.33 ATOM 1771 HB1 LEU 108 7.263 -33.029 8.237 1.00 37.63 ATOM 1772 HB2 LEU 108 6.925 -31.323 8.340 1.00 23.05 ATOM 1773 CG LEU 108 8.100 -31.903 6.649 1.00 75.11 ATOM 1774 HG LEU 108 7.815 -31.096 6.008 1.00 72.12 ATOM 1775 CD1 LEU 108 9.383 -31.504 7.360 1.00 1.02 ATOM 1776 HD11 LEU 108 9.632 -30.496 7.081 1.00 11.44 ATOM 1777 HD12 LEU 108 10.195 -32.164 7.093 1.00 61.20 ATOM 1778 HD13 LEU 108 9.249 -31.539 8.430 1.00 74.32 ATOM 1779 CD2 LEU 108 8.328 -33.132 5.782 1.00 62.34 ATOM 1780 HD21 LEU 108 9.147 -32.948 5.099 1.00 65.34 ATOM 1781 HD22 LEU 108 7.439 -33.348 5.211 1.00 0.01 ATOM 1782 HD23 LEU 108 8.570 -33.981 6.407 1.00 21.22 ATOM 1783 C LEU 108 4.768 -33.261 8.034 1.00 34.50 ATOM 1784 O LEU 108 4.506 -34.434 7.764 1.00 53.31 ATOM 1785 N ARG 109 4.361 -32.668 9.152 1.00 63.04 ATOM 1786 HN ARG 109 4.605 -31.725 9.314 1.00 37.63 ATOM 1787 CA ARG 109 3.567 -33.377 10.148 1.00 43.11 ATOM 1788 HA ARG 109 4.144 -34.208 10.513 1.00 3.21 ATOM 1789 CB ARG 109 3.228 -32.448 11.315 1.00 33.53 ATOM 1790 HB1 ARG 109 2.777 -31.549 10.917 1.00 37.63 ATOM 1791 HB2 ARG 109 4.143 -32.186 11.828 1.00 32.40 ATOM 1792 CG ARG 109 2.272 -33.064 12.325 1.00 42.43 ATOM 1793 HG1 ARG 109 2.764 -33.891 12.802 1.00 37.63 ATOM 1794 HG2 ARG 109 1.381 -33.411 11.825 1.00 53.45 ATOM 1795 CD ARG 109 1.854 -32.054 13.382 1.00 33.34 ATOM 1796 HD1 ARG 109 2.743 -31.583 13.776 1.00 37.63 ATOM 1797 HD2 ARG 109 1.347 -32.576 14.167 1.00 25.12 ATOM 1798 NE ARG 109 0.962 -31.032 12.841 1.00 44.20 ATOM 1799 HE ARG 109 0.478 -31.237 12.007 1.00 13.23 ATOM 1800 CZ ARG 109 0.766 -29.850 13.415 1.00 53.15 ATOM 1801 NH1 ARG 109 1.394 -29.543 14.541 1.00 65.12 ATOM 1802 HH11 ARG 109 2.011 -30.175 14.977 1.00 32.34 ATOM 1803 HH12 ARG 109 1.241 -28.647 14.964 1.00 55.10 ATOM 1804 NH2 ARG 109 -0.061 -28.972 12.861 1.00 10.11 ATOM 1805 HH21 ARG 109 -0.531 -29.191 12.003 1.00 44.30 ATOM 1806 HH22 ARG 109 -0.246 -28.106 13.321 1.00 15.05 ATOM 1807 C ARG 109 2.284 -33.926 9.531 1.00 42.45 ATOM 1808 O ARG 109 1.935 -35.090 9.729 1.00 53.32 ATOM 1809 N THR 110 1.585 -33.079 8.781 1.00 11.10 ATOM 1810 HN THR 110 1.913 -32.156 8.657 1.00 37.63 ATOM 1811 CA THR 110 0.340 -33.478 8.136 1.00 3.52 ATOM 1812 HA THR 110 -0.310 -33.904 8.893 1.00 0.14 ATOM 1813 CB THR 110 -0.378 -32.269 7.507 1.00 74.23 ATOM 1814 HB THR 110 0.209 -31.903 6.674 1.00 75.24 ATOM 1815 OG1 THR 110 -0.508 -31.219 8.472 1.00 73.33 ATOM 1816 HG1 THR 110 -1.014 -31.515 9.241 1.00 11.54 ATOM 1817 CG2 THR 110 -1.754 -32.665 6.993 1.00 72.54 ATOM 1818 HG21 THR 110 -2.285 -31.778 6.682 1.00 11.34 ATOM 1819 HG22 THR 110 -2.313 -33.158 7.777 1.00 12.32 ATOM 1820 HG23 THR 110 -1.652 -33.331 6.150 1.00 22.10 ATOM 1821 C THR 110 0.591 -34.524 7.057 1.00 60.14 ATOM 1822 O THR 110 0.026 -35.617 7.097 1.00 44.14 ATOM 1823 N GLN 111 1.441 -34.182 6.094 1.00 62.52 ATOM 1824 HN GLN 111 1.858 -33.289 6.115 1.00 37.63 ATOM 1825 CA GLN 111 1.766 -35.094 5.003 1.00 20.22 ATOM 1826 HA GLN 111 0.870 -35.267 4.447 1.00 62.32 ATOM 1827 CB GLN 111 2.841 -34.484 4.103 1.00 44.50 ATOM 1828 HB1 GLN 111 3.251 -35.258 3.464 1.00 37.63 ATOM 1829 HB2 GLN 111 3.635 -34.090 4.713 1.00 60.10 ATOM 1830 CG GLN 111 2.322 -33.377 3.199 1.00 72.30 ATOM 1831 HG1 GLN 111 3.107 -33.089 2.515 1.00 37.63 ATOM 1832 HG2 GLN 111 2.047 -32.532 3.805 1.00 34.03 ATOM 1833 CD GLN 111 1.109 -33.802 2.394 1.00 24.52 ATOM 1834 OE1 GLN 111 0.907 -34.989 2.135 1.00 32.12 ATOM 1835 NE2 GLN 111 0.295 -32.833 1.994 1.00 73.31 ATOM 1836 HE21 GLN 111 0.506 -31.901 2.230 1.00 21.22 ATOM 1837 HE22 GLN 111 -0.495 -33.088 1.472 1.00 61.45 ATOM 1838 C GLN 111 2.241 -36.440 5.542 1.00 51.22 ATOM 1839 O GLN 111 1.977 -37.486 4.948 1.00 15.42 ATOM 1840 N TYR 112 2.943 -36.406 6.669 1.00 43.43 ATOM 1841 HN TYR 112 3.139 -35.541 7.098 1.00 37.63 ATOM 1842 CA TYR 112 3.458 -37.622 7.286 1.00 73.31 ATOM 1843 HA TYR 112 3.874 -38.252 6.509 1.00 13.51 ATOM 1844 CB TYR 112 4.567 -37.284 8.283 1.00 44.23 ATOM 1845 HB1 TYR 112 4.209 -36.512 8.951 1.00 37.63 ATOM 1846 HB2 TYR 112 5.424 -36.906 7.741 1.00 75.31 ATOM 1847 CG TYR 112 5.008 -38.462 9.121 1.00 21.14 ATOM 1848 CD1 TYR 112 4.355 -38.779 10.307 1.00 45.14 ATOM 1849 HD1 TYR 112 3.523 -38.172 10.631 1.00 35.43 ATOM 1850 CD2 TYR 112 6.077 -39.258 8.730 1.00 44.14 ATOM 1851 HD2 TYR 112 6.593 -39.040 7.829 1.00 54.43 ATOM 1852 CE1 TYR 112 4.755 -39.854 11.077 1.00 70.03 ATOM 1853 HE1 TYR 112 4.233 -40.086 11.984 1.00 41.21 ATOM 1854 CE2 TYR 112 6.483 -40.336 9.493 1.00 52.25 ATOM 1855 HE2 TYR 112 7.313 -40.935 9.173 1.00 70.02 ATOM 1856 CZ TYR 112 5.819 -40.630 10.665 1.00 13.32 ATOM 1857 OH TYR 112 6.220 -41.702 11.429 1.00 44.33 ATOM 1858 HH TYR 112 7.068 -41.515 11.841 1.00 43.00 ATOM 1859 C TYR 112 2.343 -38.389 7.990 1.00 33.41 ATOM 1860 O TYR 112 2.104 -39.562 7.704 1.00 65.32 ATOM 1861 N MET 113 1.662 -37.717 8.913 1.00 42.14 ATOM 1862 HN MET 113 1.901 -36.779 9.099 1.00 37.63 ATOM 1863 CA MET 113 0.571 -38.334 9.657 1.00 15.33 ATOM 1864 HA MET 113 0.972 -39.168 10.205 1.00 12.00 ATOM 1865 CB MET 113 -0.026 -37.335 10.651 1.00 4.01 ATOM 1866 HB1 MET 113 -0.622 -36.614 10.104 1.00 37.63 ATOM 1867 HB2 MET 113 0.783 -36.810 11.138 1.00 75.33 ATOM 1868 CG MET 113 -0.882 -37.985 11.726 1.00 54.44 ATOM 1869 HG1 MET 113 -0.274 -38.193 12.583 1.00 37.63 ATOM 1870 HG2 MET 113 -1.294 -38.912 11.356 1.00 30.50 ATOM 1871 SD MET 113 -2.254 -36.937 12.248 1.00 5.24 ATOM 1872 CE MET 113 -1.383 -35.435 12.690 1.00 61.05 ATOM 1873 HE1 MET 113 -0.633 -35.659 13.434 1.00 24.43 ATOM 1874 HE2 MET 113 -2.085 -34.720 13.090 1.00 72.11 ATOM 1875 HE3 MET 113 -0.910 -35.018 11.814 1.00 21.43 ATOM 1876 C MET 113 -0.515 -38.838 8.712 1.00 34.23 ATOM 1877 O MET 113 -1.318 -39.699 9.075 1.00 41.32 ATOM 1878 N LYS 114 -0.535 -38.297 7.499 1.00 75.22 ATOM 1879 HN LYS 114 0.073 -37.560 7.279 1.00 37.63 ATOM 1880 CA LYS 114 -1.522 -38.693 6.501 1.00 41.44 ATOM 1881 HA LYS 114 -2.508 -38.522 6.918 1.00 3.12 ATOM 1882 CB LYS 114 -1.354 -37.858 5.229 1.00 42.11 ATOM 1883 HB1 LYS 114 -1.576 -38.477 4.369 1.00 37.63 ATOM 1884 HB2 LYS 114 -0.334 -37.523 5.155 1.00 64.33 ATOM 1885 CG LYS 114 -2.257 -36.638 5.179 1.00 42.45 ATOM 1886 HG1 LYS 114 -2.026 -35.991 6.007 1.00 37.63 ATOM 1887 HG2 LYS 114 -3.286 -36.961 5.257 1.00 31.30 ATOM 1888 CD LYS 114 -2.078 -35.865 3.882 1.00 33.13 ATOM 1889 HD1 LYS 114 -1.045 -35.581 3.774 1.00 37.63 ATOM 1890 HD2 LYS 114 -2.691 -34.976 3.924 1.00 54.32 ATOM 1891 CE LYS 114 -2.490 -36.696 2.677 1.00 74.11 ATOM 1892 HE1 LYS 114 -3.257 -37.406 2.963 1.00 37.63 ATOM 1893 HE2 LYS 114 -1.630 -37.226 2.318 1.00 62.23 ATOM 1894 NZ LYS 114 -3.018 -35.848 1.573 1.00 52.24 ATOM 1895 HZ1 LYS 114 -2.292 -35.171 1.257 1.00 71.23 ATOM 1896 HZ2 LYS 114 -3.856 -35.318 1.892 1.00 13.31 ATOM 1897 HZ3 LYS 114 -3.290 -36.446 0.766 1.00 65.34 ATOM 1898 C LYS 114 -1.395 -40.176 6.168 1.00 13.11 ATOM 1899 O LYS 114 -2.378 -40.916 6.205 1.00 33.33 ATOM 1900 N TYR 115 -0.180 -40.603 5.845 1.00 61.21 ATOM 1901 HN TYR 115 0.576 -39.969 5.843 1.00 37.63 ATOM 1902 CA TYR 115 0.075 -41.998 5.505 1.00 34.12 ATOM 1903 HA TYR 115 -0.868 -42.502 5.329 1.00 55.34 ATOM 1904 CB TYR 115 0.909 -42.089 4.226 1.00 32.43 ATOM 1905 HB1 TYR 115 0.973 -43.107 3.901 1.00 37.63 ATOM 1906 HB2 TYR 115 1.914 -41.741 4.443 1.00 4.11 ATOM 1907 CG TYR 115 0.374 -41.243 3.093 1.00 4.12 ATOM 1908 CD1 TYR 115 -0.433 -41.797 2.107 1.00 22.01 ATOM 1909 HD1 TYR 115 -0.684 -42.834 2.157 1.00 70.30 ATOM 1910 CD2 TYR 115 0.677 -39.890 3.008 1.00 42.32 ATOM 1911 HD2 TYR 115 1.303 -39.444 3.762 1.00 40.24 ATOM 1912 CE1 TYR 115 -0.923 -41.028 1.069 1.00 2.24 ATOM 1913 HE1 TYR 115 -1.549 -41.478 0.312 1.00 20.42 ATOM 1914 CE2 TYR 115 0.190 -39.113 1.975 1.00 45.43 ATOM 1915 HE2 TYR 115 0.436 -38.063 1.928 1.00 74.10 ATOM 1916 CZ TYR 115 -0.609 -39.686 1.008 1.00 62.11 ATOM 1917 OH TYR 115 -1.094 -38.916 -0.024 1.00 15.33 ATOM 1918 HH TYR 115 -2.034 -38.756 0.102 1.00 13.55 ATOM 1919 C TYR 115 0.792 -42.715 6.646 1.00 55.54 ATOM 1920 O TYR 115 0.350 -43.767 7.109 1.00 52.12 ATOM 1921 N LEU 116 1.900 -42.136 7.094 1.00 22.42 ATOM 1922 HN LEU 116 2.197 -41.284 6.693 1.00 37.63 ATOM 1923 CA LEU 116 2.680 -42.718 8.181 1.00 1.45 ATOM 1924 HA LEU 116 2.637 -43.799 8.090 1.00 24.35 ATOM 1925 CB LEU 116 4.144 -42.288 8.072 1.00 50.31 ATOM 1926 HB1 LEU 116 4.703 -42.766 8.868 1.00 37.63 ATOM 1927 HB2 LEU 116 4.182 -41.216 8.229 1.00 54.42 ATOM 1928 CG LEU 116 4.837 -42.597 6.744 1.00 12.33 ATOM 1929 HG LEU 116 4.234 -42.215 5.933 1.00 70.32 ATOM 1930 CD1 LEU 116 6.195 -41.915 6.679 1.00 33.25 ATOM 1931 HD11 LEU 116 6.056 -40.850 6.648 1.00 21.42 ATOM 1932 HD12 LEU 116 6.717 -42.225 5.783 1.00 3.01 ATOM 1933 HD13 LEU 116 6.781 -42.180 7.539 1.00 15.34 ATOM 1934 CD2 LEU 116 4.983 -44.100 6.556 1.00 13.31 ATOM 1935 HD21 LEU 116 4.006 -44.552 6.550 1.00 33.22 ATOM 1936 HD22 LEU 116 5.568 -44.516 7.365 1.00 54.33 ATOM 1937 HD23 LEU 116 5.475 -44.304 5.614 1.00 21.54 ATOM 1938 C LEU 116 2.117 -42.304 9.537 1.00 12.13 ATOM 1939 O LEU 116 2.053 -41.117 9.858 1.00 20.04 ATOM 1940 N TYR 117 1.711 -43.290 10.329 1.00 24.24 ATOM 1941 HN TYR 117 1.854 -44.224 10.044 1.00 37.63 ATOM 1942 CA TYR 117 1.153 -43.029 11.651 1.00 44.12 ATOM 1943 HA TYR 117 1.924 -42.573 12.256 1.00 22.33 ATOM 1944 CB TYR 117 -0.030 -42.066 11.546 1.00 12.43 ATOM 1945 HB1 TYR 117 -0.522 -42.163 10.593 1.00 37.63 ATOM 1946 HB2 TYR 117 0.357 -41.059 11.624 1.00 22.14 ATOM 1947 CG TYR 117 -1.042 -42.227 12.658 1.00 75.22 ATOM 1948 CD1 TYR 117 -2.384 -42.451 12.375 1.00 72.55 ATOM 1949 HD1 TYR 117 -2.708 -42.503 11.346 1.00 54.40 ATOM 1950 CD2 TYR 117 -0.658 -42.155 13.991 1.00 43.32 ATOM 1951 HD2 TYR 117 0.382 -41.981 14.233 1.00 70.43 ATOM 1952 CE1 TYR 117 -3.313 -42.599 13.387 1.00 61.14 ATOM 1953 HE1 TYR 117 -4.351 -42.773 13.146 1.00 64.13 ATOM 1954 CE2 TYR 117 -1.579 -42.303 15.009 1.00 12.42 ATOM 1955 HE2 TYR 117 -1.259 -42.244 16.039 1.00 14.45 ATOM 1956 CZ TYR 117 -2.905 -42.524 14.702 1.00 34.42 ATOM 1957 OH TYR 117 -3.827 -42.671 15.714 1.00 44.21 ATOM 1958 HH TYR 117 -4.094 -43.593 15.782 1.00 71.34 ATOM 1959 C TYR 117 0.710 -44.326 12.321 1.00 3.33 ATOM 1960 O TYR 117 1.167 -44.680 13.409 1.00 74.15 ATOM 1961 N PRO 118 -0.201 -45.052 11.657 1.00 21.44 ATOM 1962 CA PRO 118 -0.726 -46.322 12.168 1.00 22.13 ATOM 1963 HA PRO 118 -1.115 -46.216 13.171 1.00 13.02 ATOM 1964 CB PRO 118 -1.870 -46.646 11.205 1.00 34.10 ATOM 1965 HB1 PRO 118 -2.780 -46.255 11.616 1.00 37.63 ATOM 1966 HB2 PRO 118 -1.973 -47.712 11.061 1.00 72.55 ATOM 1967 CG PRO 118 -1.514 -45.941 9.942 1.00 23.01 ATOM 1968 HG1 PRO 118 -2.411 -45.689 9.396 1.00 37.63 ATOM 1969 HG2 PRO 118 -0.871 -46.567 9.341 1.00 65.04 ATOM 1970 CD PRO 118 -0.788 -44.691 10.357 1.00 55.45 ATOM 1971 HD1 PRO 118 -1.495 -43.903 10.441 1.00 37.63 ATOM 1972 HD2 PRO 118 -0.050 -44.458 9.620 1.00 33.01 ATOM 1973 C PRO 118 0.319 -47.432 12.146 1.00 23.32 ATOM 1974 O PRO 118 0.265 -48.365 12.948 1.00 23.11 ATOM 1975 N TYR 119 1.270 -47.325 11.224 1.00 35.52 ATOM 1976 HN TYR 119 1.267 -46.561 10.602 1.00 37.63 ATOM 1977 CA TYR 119 2.326 -48.322 11.097 1.00 44.12 ATOM 1978 HA TYR 119 1.885 -49.305 11.167 1.00 63.04 ATOM 1979 CB TYR 119 3.023 -48.186 9.742 1.00 25.20 ATOM 1980 HB1 TYR 119 3.574 -47.253 9.713 1.00 37.63 ATOM 1981 HB2 TYR 119 2.268 -48.166 8.966 1.00 10.05 ATOM 1982 CG TYR 119 3.974 -49.321 9.434 1.00 40.12 ATOM 1983 CD1 TYR 119 5.350 -49.139 9.504 1.00 12.01 ATOM 1984 HD1 TYR 119 5.737 -48.176 9.780 1.00 14.05 ATOM 1985 CD2 TYR 119 3.497 -50.574 9.071 1.00 32.34 ATOM 1986 HD2 TYR 119 2.445 -50.737 9.015 1.00 55.13 ATOM 1987 CE1 TYR 119 6.222 -50.173 9.223 1.00 43.53 ATOM 1988 HE1 TYR 119 7.282 -50.020 9.294 1.00 53.00 ATOM 1989 CE2 TYR 119 4.362 -51.614 8.790 1.00 53.13 ATOM 1990 HE2 TYR 119 3.971 -52.581 8.511 1.00 23.43 ATOM 1991 CZ TYR 119 5.723 -51.408 8.867 1.00 64.15 ATOM 1992 OH TYR 119 6.588 -52.441 8.585 1.00 3.23 ATOM 1993 HH TYR 119 6.986 -52.765 9.399 1.00 61.24 ATOM 1994 C TYR 119 3.346 -48.181 12.223 1.00 64.24 ATOM 1995 O TYR 119 3.681 -49.155 12.896 1.00 65.12 ATOM 1996 N GLU 120 3.835 -46.961 12.420 1.00 3.23 ATOM 1997 HN GLU 120 3.526 -46.218 11.847 1.00 37.63 ATOM 1998 CA GLU 120 4.817 -46.692 13.464 1.00 2.12 ATOM 1999 HA GLU 120 5.661 -47.352 13.314 1.00 13.12 ATOM 2000 CB GLU 120 5.304 -45.244 13.376 1.00 24.13 ATOM 2001 HB1 GLU 120 5.577 -45.025 12.357 1.00 37.63 ATOM 2002 HB2 GLU 120 6.175 -45.132 14.005 1.00 72.51 ATOM 2003 CG GLU 120 4.264 -44.225 13.808 1.00 11.51 ATOM 2004 HG1 GLU 120 3.950 -44.426 14.818 1.00 37.63 ATOM 2005 HG2 GLU 120 3.424 -44.293 13.145 1.00 14.43 ATOM 2006 CD GLU 120 4.788 -42.802 13.765 1.00 31.23 ATOM 2007 OE1 GLU 120 3.968 -41.873 13.608 1.00 61.24 ATOM 2008 OE2 GLU 120 6.017 -42.618 13.889 1.00 54.01 ATOM 2009 C GLU 120 4.229 -46.959 14.847 1.00 73.05 ATOM 2010 O GLU 120 4.927 -47.418 15.752 1.00 54.41 ATOM 2011 N CYS 121 2.942 -46.669 15.001 1.00 12.51 ATOM 2012 HN CYS 121 2.430 -46.298 14.245 1.00 37.63 ATOM 2013 CA CYS 121 2.259 -46.876 16.273 1.00 13.42 ATOM 2014 HA CYS 121 2.902 -46.517 17.057 1.00 0.23 ATOM 2015 CB CYS 121 0.947 -46.089 16.305 1.00 23.35 ATOM 2016 HB1 CYS 121 0.324 -46.451 17.114 1.00 37.63 ATOM 2017 HB2 CYS 121 0.426 -46.229 15.370 1.00 13.33 ATOM 2018 SG CYS 121 1.159 -44.310 16.550 1.00 21.42 ATOM 2019 HG CYS 121 0.375 -43.939 17.552 1.00 0.21 ATOM 2020 C CYS 121 1.983 -48.357 16.507 1.00 23.35 ATOM 2021 O CYS 121 2.218 -48.877 17.598 1.00 13.41 ATOM 2022 N GLU 122 1.483 -49.031 15.477 1.00 71.24 ATOM 2023 HN GLU 122 1.314 -48.561 14.625 1.00 37.63 ATOM 2024 CA GLU 122 1.173 -50.453 15.572 1.00 2.11 ATOM 2025 HA GLU 122 0.595 -50.612 16.475 1.00 61.11 ATOM 2026 CB GLU 122 0.342 -50.899 14.367 1.00 11.43 ATOM 2027 HB1 GLU 122 0.967 -50.924 13.483 1.00 37.63 ATOM 2028 HB2 GLU 122 -0.437 -50.168 14.222 1.00 71.45 ATOM 2029 CG GLU 122 -0.302 -52.264 14.543 1.00 1.44 ATOM 2030 HG1 GLU 122 -0.530 -52.424 15.590 1.00 37.63 ATOM 2031 HG2 GLU 122 0.393 -53.019 14.210 1.00 40.12 ATOM 2032 CD GLU 122 -1.586 -52.410 13.750 1.00 1.31 ATOM 2033 OE1 GLU 122 -1.855 -53.526 13.258 1.00 2.22 ATOM 2034 OE2 GLU 122 -2.321 -51.409 13.621 1.00 53.01 ATOM 2035 C GLU 122 2.451 -51.283 15.658 1.00 75.52 ATOM 2036 O GLU 122 2.451 -52.389 16.199 1.00 71.30 ATOM 2037 N LYS 123 3.538 -50.743 15.119 1.00 1.41 ATOM 2038 HN LYS 123 3.488 -49.857 14.692 1.00 37.63 ATOM 2039 CA LYS 123 4.823 -51.431 15.134 1.00 63.10 ATOM 2040 HA LYS 123 4.644 -52.497 15.120 1.00 41.13 ATOM 2041 CB LYS 123 5.648 -51.042 13.905 1.00 73.12 ATOM 2042 HB1 LYS 123 6.674 -51.369 14.044 1.00 37.63 ATOM 2043 HB2 LYS 123 5.646 -49.969 13.807 1.00 52.23 ATOM 2044 CG LYS 123 5.134 -51.649 12.611 1.00 53.23 ATOM 2045 HG1 LYS 123 5.659 -51.194 11.783 1.00 37.63 ATOM 2046 HG2 LYS 123 4.077 -51.441 12.522 1.00 53.11 ATOM 2047 CD LYS 123 5.361 -53.151 12.570 1.00 45.53 ATOM 2048 HD1 LYS 123 5.438 -53.557 13.568 1.00 37.63 ATOM 2049 HD2 LYS 123 6.283 -53.340 12.041 1.00 23.41 ATOM 2050 CE LYS 123 4.233 -53.866 11.844 1.00 55.13 ATOM 2051 HE1 LYS 123 3.874 -53.247 11.030 1.00 37.63 ATOM 2052 HE2 LYS 123 3.428 -54.040 12.542 1.00 3.25 ATOM 2053 NZ LYS 123 4.674 -55.174 11.284 1.00 13.42 ATOM 2054 HZ1 LYS 123 5.449 -55.033 10.603 1.00 33.22 ATOM 2055 HZ2 LYS 123 3.881 -55.636 10.795 1.00 61.13 ATOM 2056 HZ3 LYS 123 5.005 -55.801 12.047 1.00 61.43 ATOM 2057 C LYS 123 5.601 -51.104 16.405 1.00 72.41 ATOM 2058 O LYS 123 6.302 -51.956 16.951 1.00 31.41 ATOM 2059 N ARG 124 5.471 -49.867 16.871 1.00 12.41 ATOM 2060 HN ARG 124 4.917 -49.212 16.390 1.00 37.63 ATOM 2061 CA ARG 124 6.161 -49.428 18.078 1.00 63.30 ATOM 2062 HA ARG 124 6.659 -50.277 18.535 1.00 65.11 ATOM 2063 CB ARG 124 7.204 -48.363 17.736 1.00 2.40 ATOM 2064 HB1 ARG 124 7.242 -47.623 18.520 1.00 37.63 ATOM 2065 HB2 ARG 124 6.925 -47.871 16.820 1.00 1.31 ATOM 2066 CG ARG 124 8.605 -48.920 17.545 1.00 60.50 ATOM 2067 HG1 ARG 124 9.200 -48.177 17.038 1.00 37.63 ATOM 2068 HG2 ARG 124 8.554 -49.814 16.936 1.00 2.31 ATOM 2069 CD ARG 124 9.259 -49.253 18.877 1.00 13.11 ATOM 2070 HD1 ARG 124 8.493 -49.519 19.597 1.00 37.63 ATOM 2071 HD2 ARG 124 9.788 -48.383 19.236 1.00 55.32 ATOM 2072 NE ARG 124 10.187 -50.375 18.766 1.00 0.14 ATOM 2073 HE ARG 124 9.905 -51.233 19.153 1.00 33.31 ATOM 2074 CZ ARG 124 11.374 -50.291 18.176 1.00 21.11 ATOM 2075 NH1 ARG 124 11.775 -49.144 17.646 1.00 2.24 ATOM 2076 HH11 ARG 124 11.214 -48.325 17.678 1.00 64.23 ATOM 2077 HH12 ARG 124 12.671 -49.097 17.198 1.00 21.15 ATOM 2078 NH2 ARG 124 12.163 -51.356 18.115 1.00 32.52 ATOM 2079 HH21 ARG 124 11.866 -52.226 18.513 1.00 71.04 ATOM 2080 HH22 ARG 124 13.059 -51.295 17.670 1.00 73.53 ATOM 2081 C ARG 124 5.172 -48.877 19.101 1.00 71.43 ATOM 2082 O ARG 124 5.017 -49.429 20.189 1.00 1.14 ATOM 2083 N GLY 125 4.504 -47.785 18.742 1.00 44.20 ATOM 2084 HN GLY 125 4.663 -47.378 17.862 1.00 37.63 ATOM 2085 CA GLY 125 3.539 -47.177 19.639 1.00 22.13 ATOM 2086 HA1 GLY 125 2.998 -47.949 20.173 1.00 37.63 ATOM 2087 HA2 GLY 125 2.833 -46.605 19.061 1.00 74.12 ATOM 2088 C GLY 125 4.189 -46.253 20.650 1.00 31.22 ATOM 2089 O GLY 125 3.717 -46.128 21.781 1.00 51.40 ATOM 2090 N LEU 126 5.276 -45.606 20.245 1.00 53.24 ATOM 2091 HN LEU 126 5.569 -45.709 19.313 1.00 37.63 ATOM 2092 CA LEU 126 5.993 -44.689 21.124 1.00 61.30 ATOM 2093 HA LEU 126 6.436 -45.269 21.920 1.00 41.12 ATOM 2094 CB LEU 126 7.105 -43.976 20.352 1.00 30.34 ATOM 2095 HB1 LEU 126 7.727 -43.465 21.076 1.00 37.63 ATOM 2096 HB2 LEU 126 6.641 -43.218 19.726 1.00 71.24 ATOM 2097 CG LEU 126 7.988 -44.864 19.474 1.00 12.50 ATOM 2098 HG LEU 126 7.620 -45.874 19.474 1.00 60.44 ATOM 2099 CD1 LEU 126 7.978 -44.369 18.036 1.00 61.32 ATOM 2100 HD11 LEU 126 6.962 -44.355 17.666 1.00 23.33 ATOM 2101 HD12 LEU 126 8.567 -45.036 17.422 1.00 63.23 ATOM 2102 HD13 LEU 126 8.391 -43.379 17.978 1.00 14.14 ATOM 2103 CD2 LEU 126 9.409 -44.905 20.016 1.00 21.11 ATOM 2104 HD21 LEU 126 10.011 -45.560 19.401 1.00 74.32 ATOM 2105 HD22 LEU 126 9.399 -45.282 21.029 1.00 22.21 ATOM 2106 HD23 LEU 126 9.838 -43.917 20.009 1.00 42.45 ATOM 2107 C LEU 126 5.043 -43.663 21.733 1.00 31.43 ATOM 2108 O LEU 126 5.042 -43.446 22.945 1.00 71.30 ATOM 2109 N SER 127 4.234 -43.037 20.885 1.00 12.31 ATOM 2110 HN SER 127 4.269 -43.254 19.924 1.00 37.63 ATOM 2111 CA SER 127 3.279 -42.032 21.340 1.00 63.43 ATOM 2112 HA SER 127 3.468 -41.800 22.381 1.00 74.04 ATOM 2113 CB SER 127 3.436 -40.745 20.528 1.00 73.22 ATOM 2114 HB1 SER 127 4.334 -40.234 20.842 1.00 37.63 ATOM 2115 HB2 SER 127 2.586 -40.117 20.703 1.00 11.41 ATOM 2116 OG SER 127 3.530 -41.025 19.142 1.00 52.23 ATOM 2117 HG SER 127 2.652 -41.174 18.782 1.00 53.20 ATOM 2118 C SER 127 1.849 -42.550 21.223 1.00 70.20 ATOM 2119 O SER 127 1.603 -43.595 20.623 1.00 72.35 ATOM 2120 N ASN 128 0.909 -41.810 21.802 1.00 3.02 ATOM 2121 HN ASN 128 1.158 -41.001 22.255 1.00 37.63 ATOM 2122 CA ASN 128 -0.497 -42.194 21.764 1.00 13.44 ATOM 2123 HA ASN 128 -0.574 -43.174 21.312 1.00 24.14 ATOM 2124 CB ASN 128 -1.064 -42.274 23.183 1.00 22.14 ATOM 2125 HB1 ASN 128 -1.734 -43.116 23.244 1.00 37.63 ATOM 2126 HB2 ASN 128 -1.614 -41.371 23.421 1.00 52.44 ATOM 2127 CG ASN 128 0.018 -42.474 24.227 1.00 11.23 ATOM 2128 OD1 ASN 128 0.629 -43.540 24.308 1.00 14.35 ATOM 2129 ND2 ASN 128 0.260 -41.446 25.033 1.00 73.03 ATOM 2130 HD21 ASN 128 -0.258 -40.617 24.924 1.00 0.21 ATOM 2131 HD22 ASN 128 0.956 -41.557 25.714 1.00 4.33 ATOM 2132 C ASN 128 -1.309 -41.203 20.936 1.00 13.41 ATOM 2133 O ASN 128 -0.906 -40.060 20.719 1.00 12.43 ATOM 2134 N PRO 129 -2.482 -41.649 20.462 1.00 41.12 ATOM 2135 CA PRO 129 -3.376 -40.817 19.651 1.00 71.10 ATOM 2136 HA PRO 129 -2.862 -40.395 18.800 1.00 71.13 ATOM 2137 CB PRO 129 -4.440 -41.806 19.169 1.00 72.14 ATOM 2138 HB1 PRO 129 -4.156 -42.190 18.201 1.00 37.63 ATOM 2139 HB2 PRO 129 -5.409 -41.326 19.095 1.00 62.52 ATOM 2140 CG PRO 129 -4.443 -42.889 20.192 1.00 0.41 ATOM 2141 HG1 PRO 129 -4.758 -43.819 19.742 1.00 37.63 ATOM 2142 HG2 PRO 129 -5.101 -42.623 21.006 1.00 64.04 ATOM 2143 CD PRO 129 -3.025 -43.000 20.681 1.00 14.21 ATOM 2144 HD1 PRO 129 -2.482 -43.734 20.104 1.00 37.63 ATOM 2145 HD2 PRO 129 -3.028 -43.264 21.719 1.00 70.33 ATOM 2146 C PRO 129 -4.019 -39.696 20.461 1.00 23.52 ATOM 2147 O PRO 129 -4.666 -38.809 19.906 1.00 22.45 ATOM 2148 N ASN 130 -3.835 -39.743 21.777 1.00 71.33 ATOM 2149 HN ASN 130 -3.347 -40.485 22.185 1.00 37.63 ATOM 2150 CA ASN 130 -4.398 -38.731 22.663 1.00 25.24 ATOM 2151 HA ASN 130 -5.327 -38.370 22.233 1.00 53.41 ATOM 2152 CB ASN 130 -4.684 -39.332 24.041 1.00 25.40 ATOM 2153 HB1 ASN 130 -4.589 -38.565 24.802 1.00 37.63 ATOM 2154 HB2 ASN 130 -3.968 -40.115 24.252 1.00 75.11 ATOM 2155 CG ASN 130 -6.085 -39.903 24.143 1.00 1.23 ATOM 2156 OD1 ASN 130 -7.064 -39.162 24.228 1.00 12.50 ATOM 2157 ND2 ASN 130 -6.187 -41.227 24.136 1.00 4.20 ATOM 2158 HD21 ASN 130 -5.371 -41.772 24.066 1.00 34.31 ATOM 2159 HD22 ASN 130 -7.085 -41.614 24.201 1.00 21.32 ATOM 2160 C ASN 130 -3.451 -37.542 22.801 1.00 33.45 ATOM 2161 O ASN 130 -3.871 -36.389 22.712 1.00 32.32 ATOM 2162 N GLU 131 -2.172 -37.833 23.019 1.00 34.11 ATOM 2163 HN GLU 131 -1.907 -38.776 23.101 1.00 37.63 ATOM 2164 CA GLU 131 -1.167 -36.788 23.170 1.00 51.44 ATOM 2165 HA GLU 131 -1.532 -36.065 23.889 1.00 60.54 ATOM 2166 CB GLU 131 0.142 -37.380 23.694 1.00 25.22 ATOM 2167 HB1 GLU 131 -0.042 -37.819 24.664 1.00 37.63 ATOM 2168 HB2 GLU 131 0.869 -36.585 23.804 1.00 2.44 ATOM 2169 CG GLU 131 0.729 -38.453 22.793 1.00 61.53 ATOM 2170 HG1 GLU 131 0.841 -38.068 21.798 1.00 37.63 ATOM 2171 HG2 GLU 131 0.058 -39.290 22.780 1.00 21.42 ATOM 2172 CD GLU 131 2.082 -38.942 23.272 1.00 62.31 ATOM 2173 OE1 GLU 131 2.140 -39.557 24.357 1.00 34.53 ATOM 2174 OE2 GLU 131 3.083 -38.710 22.562 1.00 10.24 ATOM 2175 C GLU 131 -0.920 -36.075 21.843 1.00 72.21 ATOM 2176 O GLU 131 -0.648 -34.874 21.811 1.00 33.21 ATOM 2177 N LEU 132 -1.016 -36.824 20.750 1.00 53.44 ATOM 2178 HN LEU 132 -1.211 -37.787 20.833 1.00 37.63 ATOM 2179 CA LEU 132 -0.803 -36.265 19.419 1.00 72.11 ATOM 2180 HA LEU 132 0.236 -35.995 19.338 1.00 73.22 ATOM 2181 CB LEU 132 -1.140 -37.304 18.348 1.00 23.51 ATOM 2182 HB1 LEU 132 -2.159 -37.630 18.515 1.00 37.63 ATOM 2183 HB2 LEU 132 -0.486 -38.154 18.492 1.00 51.31 ATOM 2184 CG LEU 132 -1.016 -36.838 16.897 1.00 4.13 ATOM 2185 HG LEU 132 -1.668 -36.004 16.742 1.00 4.41 ATOM 2186 CD1 LEU 132 0.411 -36.408 16.595 1.00 5.22 ATOM 2187 HD11 LEU 132 0.712 -35.618 17.266 1.00 1.14 ATOM 2188 HD12 LEU 132 0.467 -36.044 15.578 1.00 22.30 ATOM 2189 HD13 LEU 132 1.078 -37.251 16.705 1.00 2.52 ATOM 2190 CD2 LEU 132 -1.456 -37.939 15.943 1.00 0.25 ATOM 2191 HD21 LEU 132 -2.492 -38.186 16.129 1.00 11.33 ATOM 2192 HD22 LEU 132 -0.844 -38.818 16.093 1.00 71.01 ATOM 2193 HD23 LEU 132 -1.348 -37.600 14.926 1.00 21.40 ATOM 2194 C LEU 132 -1.649 -35.013 19.212 1.00 53.00 ATOM 2195 O LEU 132 -1.134 -33.959 18.840 1.00 22.22 ATOM 2196 N GLN 133 -2.950 -35.137 19.457 1.00 3.54 ATOM 2197 HN GLN 133 -3.304 -36.011 19.750 1.00 37.63 ATOM 2198 CA GLN 133 -3.867 -34.014 19.299 1.00 5.22 ATOM 2199 HA GLN 133 -3.880 -33.760 18.253 1.00 52.31 ATOM 2200 CB GLN 133 -5.274 -34.409 19.750 1.00 25.44 ATOM 2201 HB1 GLN 133 -5.304 -34.459 20.831 1.00 37.63 ATOM 2202 HB2 GLN 133 -5.504 -35.390 19.355 1.00 3.35 ATOM 2203 CG GLN 133 -6.354 -33.445 19.289 1.00 72.25 ATOM 2204 HG1 GLN 133 -6.088 -32.442 19.595 1.00 37.63 ATOM 2205 HG2 GLN 133 -7.286 -33.724 19.759 1.00 45.32 ATOM 2206 CD GLN 133 -6.551 -33.466 17.786 1.00 74.14 ATOM 2207 OE1 GLN 133 -7.397 -34.198 17.269 1.00 45.52 ATOM 2208 NE2 GLN 133 -5.771 -32.661 17.075 1.00 65.14 ATOM 2209 HE21 GLN 133 -5.114 -32.096 17.540 1.00 24.40 ATOM 2210 HE22 GLN 133 -5.883 -32.662 16.101 1.00 20.02 ATOM 2211 C GLN 133 -3.387 -32.803 20.093 1.00 23.21 ATOM 2212 O GLN 133 -3.316 -31.693 19.568 1.00 51.42 ATOM 2213 N ALA 134 -3.059 -33.026 21.362 1.00 44.25 ATOM 2214 HN ALA 134 -3.141 -33.939 21.729 1.00 37.63 ATOM 2215 CA ALA 134 -2.584 -31.954 22.227 1.00 0.43 ATOM 2216 HA ALA 134 -3.347 -31.187 22.266 1.00 70.23 ATOM 2217 CB ALA 134 -2.369 -32.473 23.641 1.00 12.13 ATOM 2218 HB1 ALA 134 -2.073 -31.658 24.287 1.00 51.24 ATOM 2219 HB2 ALA 134 -1.597 -33.230 23.638 1.00 32.31 ATOM 2220 HB3 ALA 134 -3.289 -32.903 24.007 1.00 11.55 ATOM 2221 C ALA 134 -1.297 -31.340 21.686 1.00 13.30 ATOM 2222 O ALA 134 -1.077 -30.134 21.801 1.00 73.41 ATOM 2223 N ALA 135 -0.450 -32.177 21.096 1.00 11.05 ATOM 2224 HN ALA 135 -0.669 -33.137 21.045 1.00 37.63 ATOM 2225 CA ALA 135 0.814 -31.716 20.536 1.00 2.14 ATOM 2226 HA ALA 135 1.373 -31.222 21.321 1.00 73.11 ATOM 2227 CB ALA 135 1.638 -32.899 20.049 1.00 51.53 ATOM 2228 HB1 ALA 135 2.628 -32.561 19.782 1.00 74.43 ATOM 2229 HB2 ALA 135 1.169 -33.347 19.186 1.00 32.05 ATOM 2230 HB3 ALA 135 1.712 -33.633 20.838 1.00 72.15 ATOM 2231 C ALA 135 0.583 -30.726 19.400 1.00 14.42 ATOM 2232 O ALA 135 1.158 -29.637 19.386 1.00 23.13 ATOM 2233 N ILE 136 -0.262 -31.110 18.450 1.00 72.05 ATOM 2234 HN ILE 136 -0.694 -31.995 18.516 1.00 37.63 ATOM 2235 CA ILE 136 -0.569 -30.255 17.310 1.00 53.03 ATOM 2236 HA ILE 136 0.359 -30.011 16.813 1.00 71.45 ATOM 2237 CB ILE 136 -1.489 -30.969 16.302 1.00 61.33 ATOM 2238 HB ILE 136 -2.390 -31.258 16.824 1.00 21.33 ATOM 2239 CG1 ILE 136 -0.792 -32.205 15.729 1.00 21.11 ATOM 2240 HG11 ILE 136 0.201 -32.302 16.152 1.00 37.63 ATOM 2241 HG12 ILE 136 -0.698 -32.121 14.655 1.00 2.54 ATOM 2242 CG2 ILE 136 -1.892 -30.017 15.186 1.00 72.23 ATOM 2243 HG21 ILE 136 -2.840 -29.568 15.444 1.00 73.34 ATOM 2244 HG22 ILE 136 -2.002 -30.542 14.246 1.00 71.23 ATOM 2245 HG23 ILE 136 -1.161 -29.234 15.075 1.00 25.20 ATOM 2246 CD1 ILE 136 -1.527 -33.497 16.009 1.00 70.34 ATOM 2247 HD11 ILE 136 -2.317 -33.350 16.733 1.00 52.20 ATOM 2248 HD12 ILE 136 -0.826 -34.194 16.398 1.00 53.44 ATOM 2249 HD13 ILE 136 -1.946 -33.881 15.092 1.00 40.25 ATOM 2250 C ILE 136 -1.235 -28.959 17.759 1.00 54.24 ATOM 2251 O ILE 136 -0.817 -27.867 17.371 1.00 33.53 ATOM 2252 N ASP 137 -2.273 -29.086 18.579 1.00 63.44 ATOM 2253 HN ASP 137 -2.566 -29.989 18.850 1.00 37.63 ATOM 2254 CA ASP 137 -2.996 -27.925 19.083 1.00 3.15 ATOM 2255 HA ASP 137 -3.476 -27.441 18.245 1.00 41.30 ATOM 2256 CB ASP 137 -4.068 -28.360 20.084 1.00 62.12 ATOM 2257 HB1 ASP 137 -3.619 -29.005 20.825 1.00 37.63 ATOM 2258 HB2 ASP 137 -4.841 -28.903 19.561 1.00 62.33 ATOM 2259 CG ASP 137 -4.707 -27.184 20.795 1.00 14.11 ATOM 2260 OD1 ASP 137 -5.736 -26.678 20.299 1.00 32.21 ATOM 2261 OD2 ASP 137 -4.180 -26.770 21.848 1.00 2.22 ATOM 2262 C ASP 137 -2.040 -26.934 19.742 1.00 75.14 ATOM 2263 O ASP 137 -2.084 -25.736 19.463 1.00 14.12 ATOM 2264 N SER 138 -1.179 -27.443 20.617 1.00 43.35 ATOM 2265 HN SER 138 -1.194 -28.413 20.803 1.00 37.63 ATOM 2266 CA SER 138 -0.216 -26.602 21.318 1.00 0.13 ATOM 2267 HA SER 138 -0.766 -25.886 21.913 1.00 60.52 ATOM 2268 CB SER 138 0.653 -27.451 22.248 1.00 71.53 ATOM 2269 HB1 SER 138 1.484 -26.862 22.615 1.00 37.63 ATOM 2270 HB2 SER 138 1.032 -28.304 21.705 1.00 45.11 ATOM 2271 OG SER 138 -0.092 -27.913 23.361 1.00 21.42 ATOM 2272 HG SER 138 -0.613 -28.679 23.106 1.00 72.40 ATOM 2273 C SER 138 0.666 -25.845 20.330 1.00 10.21 ATOM 2274 O SER 138 1.160 -24.758 20.628 1.00 33.22 ATOM 2275 N ASN 139 0.859 -26.428 19.152 1.00 61.34 ATOM 2276 HN ASN 139 0.484 -27.314 18.979 1.00 37.63 ATOM 2277 CA ASN 139 1.682 -25.810 18.118 1.00 31.13 ATOM 2278 HA ASN 139 2.538 -25.344 18.595 1.00 45.05 ATOM 2279 CB ASN 139 2.170 -26.867 17.126 1.00 61.04 ATOM 2280 HB1 ASN 139 2.248 -26.437 16.134 1.00 37.63 ATOM 2281 HB2 ASN 139 1.479 -27.691 17.093 1.00 31.25 ATOM 2282 CG ASN 139 3.533 -27.420 17.494 1.00 62.30 ATOM 2283 OD1 ASN 139 4.513 -27.216 16.777 1.00 11.31 ATOM 2284 ND2 ASN 139 3.601 -28.126 18.617 1.00 63.02 ATOM 2285 HD21 ASN 139 2.786 -28.249 19.154 1.00 50.44 ATOM 2286 HD22 ASN 139 4.460 -28.524 18.854 1.00 5.11 ATOM 2287 C ASN 139 0.904 -24.724 17.381 1.00 61.42 ATOM 2288 O ASN 139 1.432 -23.647 17.105 1.00 63.14 ATOM 2289 N ARG 140 -0.354 -25.016 17.065 1.00 4.24 ATOM 2290 HN ARG 140 -0.726 -25.889 17.333 1.00 37.63 ATOM 2291 CA ARG 140 -1.204 -24.065 16.360 1.00 72.14 ATOM 2292 HA ARG 140 -0.683 -23.739 15.469 1.00 42.32 ATOM 2293 CB ARG 140 -2.516 -24.733 15.943 1.00 21.22 ATOM 2294 HB1 ARG 140 -3.026 -24.075 15.253 1.00 37.63 ATOM 2295 HB2 ARG 140 -3.138 -24.870 16.821 1.00 71.34 ATOM 2296 CG ARG 140 -2.327 -26.095 15.294 1.00 1.44 ATOM 2297 HG1 ARG 140 -2.611 -26.859 16.002 1.00 37.63 ATOM 2298 HG2 ARG 140 -1.292 -26.234 15.009 1.00 44.25 ATOM 2299 CD ARG 140 -3.188 -26.243 14.050 1.00 70.11 ATOM 2300 HD1 ARG 140 -3.083 -27.249 13.669 1.00 37.63 ATOM 2301 HD2 ARG 140 -2.843 -25.538 13.313 1.00 4.50 ATOM 2302 NE ARG 140 -4.598 -25.977 14.325 1.00 65.22 ATOM 2303 HE ARG 140 -4.858 -25.738 15.245 1.00 60.41 ATOM 2304 CZ ARG 140 -5.552 -26.050 13.404 1.00 52.20 ATOM 2305 NH1 ARG 140 -5.250 -26.379 12.156 1.00 52.34 ATOM 2306 HH11 ARG 140 -4.309 -26.577 11.884 1.00 23.33 ATOM 2307 HH12 ARG 140 -5.977 -26.432 11.467 1.00 12.24 ATOM 2308 NH2 ARG 140 -6.812 -25.794 13.731 1.00 13.44 ATOM 2309 HH21 ARG 140 -7.047 -25.545 14.673 1.00 41.54 ATOM 2310 HH22 ARG 140 -7.534 -25.848 13.038 1.00 61.31 ATOM 2311 C ARG 140 -1.496 -22.846 17.230 1.00 63.02 ATOM 2312 O ARG 140 -1.658 -21.735 16.725 1.00 70.11 ATOM 2313 N ARG 141 -1.561 -23.062 18.539 1.00 31.45 ATOM 2314 HN ARG 141 -1.436 -23.974 18.891 1.00 37.63 ATOM 2315 CA ARG 141 -1.835 -21.982 19.480 1.00 63.24 ATOM 2316 HA ARG 141 -2.741 -21.480 19.167 1.00 50.33 ATOM 2317 CB ARG 141 -2.047 -22.544 20.887 1.00 55.44 ATOM 2318 HB1 ARG 141 -1.163 -23.095 21.180 1.00 37.63 ATOM 2319 HB2 ARG 141 -2.890 -23.221 20.863 1.00 41.11 ATOM 2320 CG ARG 141 -2.321 -21.476 21.933 1.00 35.13 ATOM 2321 HG1 ARG 141 -3.228 -20.954 21.665 1.00 37.63 ATOM 2322 HG2 ARG 141 -1.498 -20.777 21.955 1.00 51.25 ATOM 2323 CD ARG 141 -2.466 -22.081 23.321 1.00 14.20 ATOM 2324 HD1 ARG 141 -1.716 -21.645 23.965 1.00 37.63 ATOM 2325 HD2 ARG 141 -2.309 -23.153 23.270 1.00 21.23 ATOM 2326 NE ARG 141 -3.783 -21.821 23.897 1.00 73.05 ATOM 2327 HE ARG 141 -4.374 -21.181 23.436 1.00 23.12 ATOM 2328 CZ ARG 141 -4.225 -22.396 25.010 1.00 52.25 ATOM 2329 NH1 ARG 141 -3.459 -23.258 25.664 1.00 52.13 ATOM 2330 HH11 ARG 141 -2.544 -23.492 25.343 1.00 13.31 ATOM 2331 HH12 ARG 141 -3.803 -23.688 26.502 1.00 20.43 ATOM 2332 NH2 ARG 141 -5.436 -22.108 25.471 1.00 63.13 ATOM 2333 HH21 ARG 141 -6.020 -21.457 24.981 1.00 20.54 ATOM 2334 HH22 ARG 141 -5.772 -22.541 26.310 1.00 35.21 ATOM 2335 C ARG 141 -0.693 -20.970 19.492 1.00 52.34 ATOM 2336 O ARG 141 -0.891 -19.794 19.185 1.00 23.43 ATOM 2337 N GLU 142 0.500 -21.435 19.848 1.00 41.01 ATOM 2338 HN GLU 142 0.597 -22.390 20.078 1.00 37.63 ATOM 2339 CA GLU 142 1.672 -20.569 19.901 1.00 61.11 ATOM 2340 HA GLU 142 1.485 -19.810 20.654 1.00 23.11 ATOM 2341 CB GLU 142 2.912 -21.375 20.295 1.00 14.15 ATOM 2342 HB1 GLU 142 3.795 -20.877 19.908 1.00 37.63 ATOM 2343 HB2 GLU 142 2.849 -22.360 19.854 1.00 45.45 ATOM 2344 CG GLU 142 3.079 -21.538 21.797 1.00 41.21 ATOM 2345 HG1 GLU 142 2.432 -22.335 22.133 1.00 37.63 ATOM 2346 HG2 GLU 142 2.800 -20.616 22.291 1.00 2.41 ATOM 2347 CD GLU 142 4.504 -21.874 22.192 1.00 41.32 ATOM 2348 OE1 GLU 142 5.295 -22.244 21.299 1.00 50.32 ATOM 2349 OE2 GLU 142 4.828 -21.767 23.393 1.00 43.01 ATOM 2350 C GLU 142 1.904 -19.884 18.557 1.00 31.30 ATOM 2351 O GLU 142 1.825 -20.516 17.504 1.00 10.13 ATOM 2352 N GLY 143 2.190 -18.586 18.602 1.00 30.52 ATOM 2353 HN GLY 143 2.301 -18.148 19.478 1.00 37.63 ATOM 2354 CA GLY 143 2.428 -17.836 17.383 1.00 60.52 ATOM 2355 HA1 GLY 143 1.791 -18.213 16.590 1.00 37.63 ATOM 2356 HA2 GLY 143 3.459 -17.967 17.091 1.00 63.05 ATOM 2357 C GLY 143 2.155 -16.355 17.551 1.00 41.12 ATOM 2358 O GLY 143 2.660 -15.533 16.785 1.00 33.32 ATOM 2359 N ARG 144 1.353 -16.013 18.554 1.00 44.51 ATOM 2360 HN ARG 144 0.953 -16.702 19.128 1.00 37.63 ATOM 2361 CA ARG 144 1.012 -14.620 18.818 1.00 51.12 ATOM 2362 HA ARG 144 1.089 -14.057 17.895 1.00 74.34 ATOM 2363 CB ARG 144 -0.427 -14.513 19.325 1.00 54.11 ATOM 2364 HB1 ARG 144 -0.659 -13.471 19.506 1.00 37.63 ATOM 2365 HB2 ARG 144 -0.509 -15.059 20.257 1.00 52.51 ATOM 2366 CG ARG 144 -1.458 -15.067 18.354 1.00 2.15 ATOM 2367 HG1 ARG 144 -1.224 -16.101 18.144 1.00 37.63 ATOM 2368 HG2 ARG 144 -1.421 -14.495 17.439 1.00 33.43 ATOM 2369 CD ARG 144 -2.864 -14.986 18.929 1.00 43.15 ATOM 2370 HD1 ARG 144 -3.071 -13.963 19.216 1.00 37.63 ATOM 2371 HD2 ARG 144 -2.906 -15.621 19.803 1.00 1.53 ATOM 2372 NE ARG 144 -3.873 -15.421 17.967 1.00 33.43 ATOM 2373 HE ARG 144 -3.606 -15.499 17.021 1.00 33.44 ATOM 2374 CZ ARG 144 -5.127 -15.711 18.299 1.00 65.55 ATOM 2375 NH1 ARG 144 -5.522 -15.612 19.560 1.00 32.41 ATOM 2376 HH11 ARG 144 -4.900 -15.319 20.282 1.00 32.11 ATOM 2377 HH12 ARG 144 -6.469 -15.836 19.800 1.00 61.34 ATOM 2378 NH2 ARG 144 -5.987 -16.101 17.367 1.00 71.13 ATOM 2379 HH21 ARG 144 -5.694 -16.178 16.412 1.00 45.34 ATOM 2380 HH22 ARG 144 -6.933 -16.321 17.614 1.00 62.31 ATOM 2381 C ARG 144 1.969 -14.009 19.838 1.00 74.42 ATOM 2382 O ARG 144 2.701 -14.724 20.522 1.00 33.33 ATOM 2383 N ARG 145 1.957 -12.684 19.933 1.00 51.12 ATOM 2384 HN ARG 145 1.354 -12.166 19.347 1.00 37.63 ATOM 2385 HA ARG 145 3.849 -12.162 20.578 1.00 44.12 ATOM 2386 CB ARG 145 2.557 -10.472 20.807 1.00 73.40 ATOM 2387 HB1 ARG 145 2.761 -10.136 19.800 1.00 37.63 ATOM 2388 HB2 ARG 145 3.238 -9.964 21.477 1.00 41.23 ATOM 2389 CG ARG 145 1.122 -10.095 21.139 1.00 61.24 ATOM 2390 HG1 ARG 145 0.454 -10.914 20.910 1.00 37.63 ATOM 2391 HG2 ARG 145 0.848 -9.239 20.542 1.00 45.23 ATOM 2392 CD ARG 145 0.967 -9.731 22.607 1.00 30.50 ATOM 2393 HD1 ARG 145 1.247 -10.565 23.219 1.00 37.63 ATOM 2394 HD2 ARG 145 -0.071 -9.502 22.800 1.00 24.14 ATOM 2395 NE ARG 145 1.794 -8.586 22.977 1.00 32.15 ATOM 2396 HE ARG 145 2.622 -8.770 23.473 1.00 51.12 ATOM 2397 CZ ARG 145 1.485 -7.329 22.679 1.00 74.22 ATOM 2398 NH1 ARG 145 0.373 -7.058 22.009 1.00 11.31 ATOM 2399 HH11 ARG 145 -0.251 -7.776 21.715 1.00 62.54 ATOM 2400 HH12 ARG 145 0.150 -6.106 21.790 1.00 73.35 ATOM 2401 NH2 ARG 145 2.288 -6.341 23.051 1.00 51.34 ATOM 2402 HH21 ARG 145 3.130 -6.539 23.558 1.00 74.53 ATOM 2403 HH22 ARG 145 2.057 -5.392 22.827 1.00 24.43 ATOM 2404 CA ARG 145 2.824 -11.977 20.868 1.00 65.35 ATOM 2405 C ARG 145 2.617 -12.485 22.292 1.00 42.25 ATOM 2406 OT1 ARG 145 3.601 -12.485 23.061 1.00 37.63 ATOM 2407 OT2 ARG 145 1.481 -12.891 22.633 1.00 37.63 ATOM 2408 OH2 TIP3 1 -8.411 -51.169 -21.529 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -7.791 -51.846 -21.802 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -8.619 -51.387 -20.621 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -5.010 -54.434 -19.393 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -5.952 -54.376 -19.232 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -4.734 -53.528 -19.530 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -6.758 -52.653 -22.768 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.333 -53.360 -23.253 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -6.441 -51.852 -23.185 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -3.913 -56.186 -15.782 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -3.773 -56.777 -16.521 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -3.745 -55.313 -16.138 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -7.713 -54.112 -18.808 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -7.954 -53.450 -18.160 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -7.911 -54.946 -18.383 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -1.358 -53.505 -14.205 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -1.407 -54.460 -14.242 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -2.184 -53.237 -13.803 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -7.508 -54.509 -15.466 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -8.409 -54.326 -15.734 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -7.474 -54.250 -14.545 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -1.813 -56.464 -14.262 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -2.665 -56.226 -14.629 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -1.223 -56.481 -15.015 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -5.633 -51.879 -15.418 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -6.235 -52.434 -15.913 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -5.352 -51.212 -16.044 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -2.179 -56.523 -19.376 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -1.345 -56.901 -19.657 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -2.067 -55.580 -19.495 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -3.692 -53.645 -17.069 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.340 -53.320 -16.444 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -4.210 -54.085 -17.744 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -4.909 -50.885 -23.650 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -4.256 -51.232 -24.258 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -4.398 -50.396 -23.004 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -7.914 -50.297 -14.645 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -7.237 -50.929 -14.885 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -7.592 -49.895 -13.837 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -9.990 -50.237 -18.595 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -10.447 -49.708 -19.249 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -9.827 -49.634 -17.870 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -7.663 -51.359 -17.650 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -8.567 -51.194 -17.916 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -7.234 -50.506 -17.716 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -2.929 -51.105 -25.642 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -3.123 -51.853 -26.207 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -2.968 -50.347 -26.226 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -3.711 -52.354 -13.492 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.493 -52.540 -14.012 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -3.783 -51.425 -13.275 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -5.522 -56.274 -2.885 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -5.963 -56.994 -2.435 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -5.535 -55.553 -2.255 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -10.839 -56.780 -0.781 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -10.535 -57.466 -1.375 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -10.117 -56.662 -0.163 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -1.784 -63.701 2.316 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -2.473 -63.043 2.221 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -1.769 -63.898 3.253 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -8.364 -55.867 -5.563 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -8.660 -56.189 -6.414 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -8.688 -54.967 -5.521 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -5.599 -54.752 -5.403 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -5.856 -55.442 -6.015 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -5.528 -55.195 -4.558 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -2.071 -59.846 1.140 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -2.723 -59.151 1.229 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -1.606 -59.636 0.330 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -6.137 -60.840 2.866 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -6.057 -60.077 3.438 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -6.738 -60.561 2.175 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -13.022 -54.956 -1.638 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -13.117 -55.534 -2.395 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -12.293 -55.327 -1.142 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -13.142 -55.216 4.031 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -13.454 -54.434 4.487 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -13.792 -55.369 3.345 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -9.437 -53.115 -5.082 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.963 -52.820 -4.304 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -10.000 -52.377 -5.315 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -14.903 -53.144 4.795 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -14.895 -53.280 3.847 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -15.819 -53.262 5.047 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -2.275 -53.736 -10.327 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -2.202 -52.797 -10.157 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -1.370 -54.041 -10.384 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -10.379 -53.931 3.527 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -10.292 -53.105 4.002 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -11.243 -54.261 3.776 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.965 -50.159 -6.667 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -10.040 -50.280 -7.613 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -9.932 -49.209 -6.548 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -6.863 -51.005 -9.664 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -6.488 -51.749 -10.135 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -6.859 -51.275 -8.746 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -7.194 -51.079 -6.915 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -8.129 -50.979 -6.736 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -6.914 -51.788 -6.337 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -4.206 -62.012 5.131 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -4.613 -61.531 4.411 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -4.165 -62.917 4.824 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -6.449 -63.680 3.352 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -6.963 -63.806 4.149 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -6.604 -62.768 3.107 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -9.712 -61.380 5.436 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -10.275 -62.084 5.756 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -8.886 -61.500 5.903 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -8.546 -60.471 1.433 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -8.222 -61.102 0.790 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -8.986 -61.006 2.094 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -9.758 -56.971 3.440 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -10.104 -57.352 4.246 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -9.958 -56.037 3.511 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -3.481 -53.478 -7.778 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -3.854 -54.304 -7.468 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -3.204 -53.661 -8.675 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -6.321 -58.670 -0.756 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -7.249 -58.902 -0.783 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -5.870 -59.447 -1.086 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -11.836 -52.530 1.268 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -11.473 -51.675 1.035 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -11.304 -52.822 2.009 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -8.292 -56.431 0.969 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -8.718 -56.658 1.795 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -7.711 -57.169 0.786 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -1.585 -51.022 -9.756 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -0.842 -50.436 -9.896 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -2.280 -50.454 -9.423 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -4.052 -64.632 3.687 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -4.968 -64.369 3.599 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -3.716 -64.635 2.790 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -14.052 -52.035 7.253 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -13.284 -52.494 7.594 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -14.073 -52.261 6.323 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -5.356 -52.710 -11.138 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -5.073 -53.504 -10.685 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -4.616 -52.477 -11.699 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -12.087 -57.174 6.020 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -12.415 -56.903 5.162 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -11.935 -58.115 5.932 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -8.943 -58.464 6.659 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -7.990 -58.380 6.631 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -9.103 -59.175 7.278 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -7.213 -61.956 7.224 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -7.021 -62.887 7.113 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -6.356 -61.531 7.214 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -3.829 -62.623 -1.007 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -2.896 -62.411 -1.041 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -4.064 -62.521 -0.084 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -3.800 -61.886 1.769 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -4.643 -61.618 2.135 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -3.357 -61.064 1.558 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -14.570 -52.981 2.008 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -14.995 -52.172 1.725 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -13.665 -52.896 1.706 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -14.701 -50.125 1.085 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -15.566 -50.053 1.489 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -14.756 -49.578 0.301 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -9.990 -50.237 0.261 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -10.447 -49.708 -0.393 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -9.827 -49.634 0.986 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -13.075 -51.922 -1.531 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -12.862 -52.810 -1.818 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -13.010 -51.956 -0.576 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -2.929 -51.105 -6.786 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -3.123 -51.853 -7.351 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -2.968 -50.347 -7.370 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -5.522 -56.274 15.971 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -5.963 -56.994 16.421 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -5.535 -55.553 16.601 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -8.411 -51.169 16.183 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -7.791 -51.846 15.910 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -8.619 -51.387 17.091 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -8.364 -55.867 13.293 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -8.660 -56.189 12.442 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -8.688 -54.967 13.335 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -5.010 -54.434 18.319 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -5.952 -54.376 18.480 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -4.734 -53.528 18.182 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -6.758 -52.653 14.944 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -6.333 -53.360 14.459 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -6.441 -51.852 14.527 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -6.034 -59.014 12.654 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -6.766 -58.786 13.227 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -5.587 -59.728 13.109 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -7.163 -59.852 10.339 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -6.584 -59.702 11.086 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -6.749 -59.381 9.616 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -9.437 -53.115 13.774 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -8.963 -52.820 14.552 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -10.000 -52.377 13.541 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -9.965 -50.159 12.189 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -10.040 -50.280 11.243 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -9.932 -49.209 12.308 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.686 -58.819 7.969 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.644 -59.042 7.039 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -4.837 -58.421 8.159 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -4.076 -49.637 24.614 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -3.876 -49.213 23.779 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -3.420 -49.294 25.221 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -11.278 -57.155 11.059 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -12.022 -57.662 10.736 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -11.412 -57.106 12.005 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -9.152 -55.696 10.084 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -9.447 -54.870 10.466 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -9.855 -56.316 10.280 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -1.777 -62.264 10.613 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -2.331 -62.660 9.941 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -1.676 -61.354 10.336 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -13.667 -51.657 13.354 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -14.617 -51.552 13.406 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -13.316 -50.837 13.699 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -5.223 -56.829 11.125 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -5.500 -57.557 11.681 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -4.296 -56.710 11.331 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -11.998 -54.390 7.346 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -11.759 -55.138 6.798 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -12.267 -54.778 8.178 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -13.061 -54.820 9.802 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -12.914 -55.340 10.592 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -13.064 -53.913 10.108 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -10.323 -53.122 10.551 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -11.140 -52.625 10.604 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -9.794 -52.647 9.911 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -12.985 -52.079 10.533 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -12.824 -51.279 10.032 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -13.182 -51.772 11.418 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -4.363 -51.625 18.261 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -4.519 -50.947 17.604 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -3.431 -51.553 18.464 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -14.401 -56.800 7.575 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -14.337 -57.594 8.106 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -13.748 -56.919 6.886 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -1.647 -50.975 18.490 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -1.669 -50.790 19.429 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -0.957 -50.406 18.149 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -2.084 -51.408 21.412 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.571 -52.143 21.041 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -1.535 -51.801 22.090 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -2.332 -57.361 11.564 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -1.482 -56.940 11.692 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -2.327 -58.101 12.172 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -1.938 -59.308 13.388 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -2.664 -59.787 13.786 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -1.357 -59.102 14.120 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -2.179 -56.523 18.336 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -1.345 -56.901 18.055 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -2.067 -55.580 18.217 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -3.692 -53.645 20.643 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -4.340 -53.320 21.268 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -4.210 -54.085 19.968 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -1.670 -59.407 9.779 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -2.191 -59.050 9.060 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -1.703 -58.732 10.457 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.321 -62.167 8.330 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -3.224 -61.500 7.650 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -3.461 -62.983 7.848 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -4.151 -60.787 13.951 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -4.301 -61.732 13.931 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -4.505 -60.506 14.795 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -5.058 -49.789 20.357 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -5.240 -48.873 20.146 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -4.882 -50.199 19.510 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -9.228 -40.357 -20.043 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -9.266 -41.003 -19.338 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -9.551 -40.823 -20.814 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -5.522 -37.418 -21.741 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -5.963 -38.138 -21.291 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -5.535 -36.697 -21.111 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -10.839 -37.924 -19.637 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -10.535 -38.610 -20.231 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -10.117 -37.806 -19.019 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -7.698 -43.530 -19.309 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -7.555 -44.477 -19.289 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -7.804 -43.323 -20.238 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -6.821 -45.298 -23.636 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -6.175 -45.627 -23.011 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -6.311 -44.780 -24.259 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -5.057 -46.007 -21.655 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -5.272 -46.773 -21.123 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -4.401 -45.535 -21.142 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -5.010 -35.578 -19.393 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -5.952 -35.520 -19.232 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -4.734 -34.672 -19.530 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -7.713 -35.256 -18.808 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -7.954 -34.594 -18.160 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -7.911 -36.090 -18.383 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -10.379 -35.075 -15.329 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -10.292 -34.249 -14.854 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -11.243 -35.405 -15.080 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -9.775 -48.580 -16.358 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -9.355 -48.995 -15.605 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -10.708 -48.758 -16.241 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -6.449 -44.824 -15.504 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -6.963 -44.950 -14.707 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -6.604 -43.912 -15.749 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -9.712 -42.524 -13.420 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -10.275 -43.228 -13.100 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -8.886 -42.644 -12.953 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -7.810 -43.253 -22.094 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -8.005 -42.648 -22.809 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -7.628 -44.087 -22.529 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -8.546 -41.615 -17.423 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -8.222 -42.246 -18.066 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -8.986 -42.150 -16.762 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -7.363 -46.453 -19.375 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -8.040 -46.322 -18.711 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -7.849 -46.608 -20.185 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -4.076 -30.781 -13.098 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -3.876 -30.357 -13.933 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -3.420 -30.438 -12.491 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -9.758 -38.115 -15.416 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -10.104 -38.496 -14.610 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -9.958 -37.181 -15.345 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -12.128 -41.026 -13.356 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -12.424 -41.192 -14.251 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -11.197 -41.246 -13.366 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.508 -35.653 -15.466 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -8.409 -35.470 -15.734 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -7.474 -35.394 -14.545 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -6.321 -39.814 -19.612 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -7.249 -40.046 -19.639 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -5.870 -40.591 -19.942 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.292 -37.575 -17.887 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -8.718 -37.802 -17.061 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -7.711 -38.313 -18.070 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -5.633 -33.023 -15.418 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -6.235 -33.578 -15.913 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -5.352 -32.356 -16.044 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -8.776 -46.049 -17.121 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -8.078 -45.975 -16.471 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -9.157 -46.913 -16.966 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -10.256 -43.683 -16.004 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -10.137 -43.109 -15.247 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -9.601 -44.371 -15.889 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -5.450 -42.025 -21.073 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -6.247 -42.440 -21.402 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -5.005 -42.716 -20.582 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -4.363 -32.769 -19.451 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -4.519 -32.091 -20.108 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -3.431 -32.697 -19.248 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -7.475 -34.799 -12.874 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -7.826 -35.655 -12.631 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -6.749 -34.656 -12.267 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -8.943 -39.608 -12.197 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -7.990 -39.524 -12.225 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -9.103 -40.319 -11.578 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -11.629 -40.915 -16.660 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -10.878 -41.071 -17.233 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -11.968 -40.063 -16.936 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.213 -43.100 -11.632 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -7.021 -44.031 -11.743 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -6.356 -42.675 -11.642 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -8.425 -45.449 -13.829 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -9.373 -45.417 -13.697 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -8.113 -46.074 -13.175 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -6.791 -46.815 -11.824 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -6.888 -47.767 -11.830 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -7.113 -46.546 -10.963 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -2.332 -38.505 -26.148 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -1.482 -38.084 -26.020 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -2.327 -39.245 -25.540 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -1.938 -40.452 -24.324 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -2.664 -40.931 -23.926 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -1.357 -40.246 -23.592 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -4.151 -41.931 -23.761 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -4.301 -42.876 -23.781 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -4.505 -41.650 -22.917 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -4.441 -44.348 -25.299 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -4.161 -45.255 -25.174 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -3.682 -43.914 -25.688 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -3.829 -43.767 -19.863 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -2.896 -43.555 -19.897 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -4.064 -43.665 -18.940 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -3.827 -47.085 -25.250 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -3.645 -47.534 -24.425 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -4.427 -47.670 -25.714 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -7.914 -31.441 -14.645 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -7.237 -32.073 -14.885 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -7.592 -31.039 -13.837 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -7.663 -32.503 -17.650 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -8.567 -32.338 -17.916 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -7.234 -31.650 -17.716 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -5.058 -30.933 -17.355 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -5.240 -30.017 -17.566 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -4.882 -31.343 -18.202 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -7.103 -48.811 -21.958 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -7.027 -48.716 -22.907 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -7.379 -49.719 -21.829 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -6.887 -49.571 -12.185 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -6.811 -49.997 -11.331 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -5.994 -49.557 -12.527 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -8.161 -39.612 -4.606 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -8.072 -38.668 -4.738 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -8.800 -39.887 -5.264 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -9.228 -40.357 -1.187 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -9.266 -41.003 -0.482 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -9.551 -40.823 -1.958 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -8.411 -32.313 -2.673 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -7.791 -32.990 -2.946 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -8.619 -32.531 -1.765 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -10.839 -37.924 -0.781 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -10.535 -38.610 -1.375 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -10.117 -37.806 -0.163 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -12.767 -41.482 -3.203 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -12.151 -42.008 -2.694 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -13.353 -42.122 -3.607 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -8.364 -37.011 -5.563 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -8.660 -37.333 -6.414 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -8.688 -36.111 -5.521 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -11.707 -49.205 -1.654 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -11.824 -50.154 -1.708 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -12.562 -48.873 -1.381 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -9.440 -40.368 -7.154 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -10.152 -39.833 -7.505 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -8.749 -40.312 -7.814 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -9.386 -41.910 -10.115 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -8.685 -41.888 -9.464 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.084 -42.538 -10.771 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -13.022 -36.100 -1.638 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -13.117 -36.678 -2.395 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -12.293 -36.471 -1.142 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.163 -40.996 -8.517 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -6.584 -40.846 -7.770 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -6.749 -40.525 -9.240 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -9.437 -34.259 -5.082 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -8.963 -33.964 -4.304 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -10.000 -33.521 -5.315 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -3.465 -49.246 -8.704 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -4.364 -49.107 -8.409 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -3.213 -48.415 -9.106 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -10.379 -35.075 3.527 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -10.292 -34.249 4.002 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -11.243 -35.405 3.776 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -9.965 -31.303 -6.667 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -10.040 -31.424 -7.613 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.932 -30.353 -6.548 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -6.863 -32.149 -9.664 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -6.488 -32.893 -10.135 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -6.859 -32.419 -8.746 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -7.194 -32.223 -6.915 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -8.129 -32.123 -6.736 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -6.914 -32.932 -6.337 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -5.686 -39.963 -10.887 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -5.644 -40.186 -11.817 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -4.837 -39.565 -10.697 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -10.113 -46.087 -10.217 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -10.367 -46.068 -9.294 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -10.370 -46.959 -10.518 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -14.347 -43.336 0.219 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -14.989 -43.377 0.928 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -14.310 -42.410 -0.019 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -8.814 -42.699 -6.052 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -9.223 -41.884 -6.344 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -8.094 -42.839 -6.667 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -8.546 -41.615 1.433 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -8.222 -42.246 0.790 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -8.986 -42.150 2.094 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -11.768 -45.688 -3.783 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -12.679 -45.631 -3.494 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -11.263 -45.748 -2.972 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -10.448 -42.900 -1.896 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -9.884 -43.447 -2.443 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -10.596 -43.422 -1.107 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -11.822 -44.512 0.518 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -12.657 -44.058 0.628 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -11.298 -44.236 1.270 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -7.380 -45.485 -9.598 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -8.318 -45.373 -9.749 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -7.083 -44.628 -9.292 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -9.758 -38.115 3.440 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -10.104 -38.496 4.246 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -9.958 -37.181 3.511 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -6.662 -43.618 -7.937 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -5.770 -43.755 -7.618 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -6.605 -42.827 -8.474 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -9.152 -36.840 -8.772 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -9.447 -36.014 -8.390 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -9.855 -37.460 -8.576 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -12.128 -41.026 5.500 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -12.424 -41.192 4.605 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -11.197 -41.246 5.490 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -7.508 -35.653 3.390 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -8.409 -35.470 3.122 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.474 -35.394 4.311 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -12.351 -37.823 -5.047 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -12.592 -36.898 -5.005 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -13.091 -38.282 -4.651 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -11.836 -33.674 1.268 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -11.473 -32.819 1.035 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -11.304 -33.966 2.009 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -8.292 -37.575 0.969 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -8.718 -37.802 1.795 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.711 -38.313 0.786 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -6.089 -36.646 -9.957 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -5.736 -37.026 -9.153 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.038 -36.739 -9.871 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.633 -33.023 3.438 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -6.235 -33.578 2.943 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -5.352 -32.356 2.812 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -5.223 -37.973 -7.731 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -5.500 -38.701 -7.175 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -4.296 -37.854 -7.525 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -7.992 -46.397 -7.168 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -7.772 -45.925 -7.971 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -7.434 -46.002 -6.497 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -10.323 -34.266 -8.305 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -11.140 -33.769 -8.252 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -9.794 -33.791 -8.945 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -10.792 -44.669 -6.333 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -9.980 -44.165 -6.287 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -11.037 -44.814 -5.419 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -9.908 -47.588 -5.395 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -10.255 -46.970 -4.750 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -9.250 -47.087 -5.876 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -7.475 -34.799 5.982 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -7.826 -35.655 6.225 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -6.749 -34.656 6.589 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -5.356 -33.854 -11.138 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -5.073 -34.648 -10.685 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -4.616 -33.621 -11.699 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -9.049 -36.897 -11.545 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -9.317 -36.717 -10.644 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -9.255 -37.823 -11.676 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -6.352 -38.402 3.403 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -5.607 -37.814 3.283 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -7.109 -37.820 3.466 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -13.963 -42.079 3.381 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -14.581 -41.404 3.662 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -13.619 -41.758 2.548 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -8.943 -39.608 6.659 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -7.990 -39.524 6.631 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -9.103 -40.319 7.278 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -13.623 -44.724 4.464 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -13.473 -45.453 3.861 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -13.621 -43.947 3.905 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -13.211 -46.354 1.956 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -12.675 -45.903 1.304 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -14.063 -46.462 1.534 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -11.629 -40.915 2.196 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -10.878 -41.071 1.623 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -11.968 -40.063 1.920 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -15.145 -43.526 6.375 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -15.912 -44.058 6.165 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -14.466 -43.836 5.776 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -12.405 -48.898 2.388 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -12.503 -47.951 2.282 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -13.148 -49.270 1.912 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -7.914 -31.441 4.211 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -7.237 -32.073 3.971 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -7.592 -31.039 5.019 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -9.990 -31.381 0.261 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -10.447 -30.852 -0.393 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -9.827 -30.778 0.986 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -7.663 -32.503 1.206 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -8.567 -32.338 0.940 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -7.234 -31.650 1.140 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -5.058 -30.933 1.501 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -5.240 -30.017 1.290 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -4.882 -31.343 0.654 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -13.075 -33.066 -1.531 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -12.862 -33.954 -1.818 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -13.010 -33.100 -0.576 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -12.660 -48.841 -4.751 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -11.786 -48.453 -4.781 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -12.796 -49.056 -3.828 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -5.750 -48.785 -7.409 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -6.453 -48.171 -7.619 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -6.195 -49.623 -7.278 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -11.516 -46.761 -7.861 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -11.338 -47.407 -7.178 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -11.570 -45.927 -7.394 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -9.638 -31.812 -9.466 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -8.772 -31.446 -9.644 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -9.885 -32.252 -10.279 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -15.309 -48.903 6.489 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -14.410 -49.177 6.304 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -15.695 -49.646 6.953 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -8.161 -39.612 14.250 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -8.072 -38.668 14.118 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -8.800 -39.887 13.592 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -9.228 -40.357 17.669 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -9.266 -41.003 18.374 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -9.551 -40.823 16.898 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -10.839 -37.924 18.075 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -10.535 -38.610 17.481 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -10.117 -37.806 18.693 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -8.364 -37.011 13.293 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -8.660 -37.333 12.442 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -8.688 -36.111 13.335 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -13.164 -38.835 20.037 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -13.904 -38.237 20.140 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -12.450 -38.281 19.721 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -4.710 -47.292 19.736 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -5.446 -46.681 19.698 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -4.026 -46.877 19.210 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.440 -40.368 11.702 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -10.152 -39.833 11.351 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -8.749 -40.312 11.042 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -9.386 -41.910 8.741 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.685 -41.888 9.392 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -9.084 -42.538 8.085 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -13.022 -36.100 17.218 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -13.117 -36.678 16.461 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.293 -36.471 17.714 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -13.142 -36.360 22.887 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -13.454 -35.578 23.343 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -13.792 -36.513 22.201 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.163 -40.996 10.339 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -6.584 -40.846 11.086 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -6.749 -40.525 9.616 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.437 -34.259 13.774 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -8.963 -33.964 14.552 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -10.000 -33.521 13.541 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -10.379 -35.075 22.383 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -10.292 -34.249 22.858 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -11.243 -35.405 22.632 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -9.965 -31.303 12.189 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.040 -31.424 11.243 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -9.932 -30.353 12.308 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -6.863 -32.149 9.192 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -6.488 -32.893 8.721 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -6.859 -32.419 10.110 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -7.194 -32.223 11.941 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.129 -32.123 12.120 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -6.914 -32.932 12.519 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -9.775 -48.580 21.354 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -9.355 -48.995 22.107 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -10.708 -48.758 21.471 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -8.814 -42.699 12.804 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -9.223 -41.884 12.512 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -8.094 -42.839 12.189 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.810 -43.253 15.618 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.005 -42.648 14.903 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.628 -44.087 15.183 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -13.231 -45.642 7.740 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.662 -46.087 8.470 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -13.949 -45.270 7.228 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -8.546 -41.615 20.289 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.222 -42.246 19.646 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -8.986 -42.150 20.950 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -11.768 -45.688 15.073 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -12.679 -45.631 15.362 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.263 -45.748 15.884 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -13.287 -44.059 11.556 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -12.355 -43.930 11.734 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -13.502 -43.389 10.907 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -7.363 -46.453 18.337 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.040 -46.322 19.001 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -7.849 -46.608 17.527 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -14.613 -42.864 9.123 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -15.155 -43.244 8.432 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -13.779 -42.670 8.694 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -10.448 -42.900 16.960 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.884 -43.447 16.413 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -10.596 -43.422 17.749 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -11.822 -44.512 19.374 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -12.657 -44.058 19.484 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -11.298 -44.236 20.126 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -9.152 -36.840 10.084 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -9.447 -36.014 10.466 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -9.855 -37.460 10.280 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -12.128 -41.026 24.356 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -12.424 -41.192 23.461 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -11.197 -41.246 24.346 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -13.778 -35.486 14.233 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -13.251 -34.713 14.032 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -14.658 -35.261 13.931 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -12.351 -37.823 13.809 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -12.592 -36.898 13.851 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -13.091 -38.282 14.205 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -11.836 -33.674 20.124 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -11.473 -32.819 19.891 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -11.304 -33.966 20.865 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -13.667 -32.801 13.354 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -14.617 -32.696 13.406 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -13.316 -31.981 13.699 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -6.089 -36.646 8.899 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -5.736 -37.026 9.703 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -7.038 -36.739 8.985 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -8.776 -46.049 20.591 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -8.078 -45.975 21.241 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -9.157 -46.913 20.746 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.323 -34.266 10.551 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -11.140 -33.769 10.604 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -9.794 -33.791 9.911 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.792 -44.669 12.523 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -9.980 -44.165 12.569 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -11.037 -44.814 13.437 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.256 -43.683 21.708 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -10.137 -43.109 22.465 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -9.601 -44.371 21.823 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -9.908 -47.588 13.461 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -10.255 -46.970 14.106 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -9.250 -47.087 12.980 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -14.251 -46.525 10.149 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -14.334 -45.636 10.495 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -13.361 -46.790 10.380 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -7.475 -34.799 24.838 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -7.826 -35.655 25.081 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -6.749 -34.656 25.445 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.087 -38.318 24.876 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -12.415 -38.047 24.018 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -11.935 -39.259 24.788 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -9.049 -36.897 7.311 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -9.317 -36.717 8.212 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -9.255 -37.823 7.180 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -13.963 -42.079 22.237 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -14.581 -41.404 22.518 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -13.619 -41.758 21.404 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -12.181 -41.729 8.144 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.361 -41.883 7.216 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.230 -41.621 8.188 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -11.629 -40.915 21.052 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -10.878 -41.071 20.479 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -11.968 -40.063 20.776 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -11.141 -44.576 24.807 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -11.377 -44.796 25.709 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -11.924 -44.783 24.298 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -8.425 -45.449 23.883 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -9.373 -45.417 24.015 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -8.113 -46.074 24.537 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -6.791 -46.815 25.888 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -6.888 -47.767 25.882 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -7.113 -46.546 26.749 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -1.517 -49.050 25.979 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -1.167 -49.704 25.373 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -1.370 -48.213 25.539 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -1.997 -46.941 24.328 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -2.914 -46.670 24.292 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -1.874 -47.476 23.544 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -10.259 -32.726 23.823 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -10.074 -33.060 24.701 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -9.412 -32.417 23.501 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -7.914 -31.441 23.067 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -7.237 -32.073 22.827 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -7.592 -31.039 23.875 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -2.996 -48.851 22.147 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -3.809 -48.526 21.759 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -2.763 -49.611 21.614 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -9.990 -31.381 19.117 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.447 -30.852 18.463 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -9.827 -30.778 19.842 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -13.075 -33.066 17.325 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -12.862 -33.954 17.038 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -13.010 -33.100 18.280 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -9.566 -47.402 16.470 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -10.241 -48.031 16.725 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -9.002 -47.886 15.867 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -4.424 -49.295 16.582 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -3.820 -48.747 16.081 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -5.293 -48.975 16.342 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -12.660 -48.841 14.105 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -11.786 -48.453 14.075 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -12.796 -49.056 15.028 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -7.103 -48.811 15.754 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -7.027 -48.716 14.805 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -7.379 -49.719 15.883 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -16.542 -47.054 8.538 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -16.051 -47.684 8.010 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -15.919 -46.758 9.201 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -11.516 -46.761 10.995 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -11.338 -47.407 11.678 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -11.570 -45.927 11.462 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -9.638 -31.812 9.390 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -8.772 -31.446 9.212 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -9.885 -32.252 8.577 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -9.440 -40.368 30.558 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -10.152 -39.833 30.207 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -8.749 -40.312 29.898 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -9.386 -41.910 27.597 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -8.685 -41.888 28.248 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -9.084 -42.538 26.941 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -6.034 -40.158 31.510 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -6.766 -39.930 32.083 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -5.587 -40.872 31.965 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -7.163 -40.996 29.195 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -6.584 -40.846 29.942 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -6.749 -40.525 28.472 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -2.275 -34.880 27.385 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -2.202 -33.941 27.555 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -1.370 -35.185 27.328 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -6.863 -32.149 28.048 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -6.488 -32.893 27.577 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -6.859 -32.419 28.966 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -10.113 -46.087 27.495 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -10.367 -46.068 28.418 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -10.370 -46.959 27.194 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -11.278 -38.299 29.915 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -12.022 -38.806 29.592 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -11.412 -38.250 30.861 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -7.380 -45.485 28.114 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -8.318 -45.373 27.963 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -7.083 -44.628 28.420 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -6.662 -43.618 29.775 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -5.770 -43.755 30.094 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -6.605 -42.827 29.238 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -9.152 -36.840 28.940 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -9.447 -36.014 29.322 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -9.855 -37.460 29.136 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -1.777 -43.408 29.469 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -2.331 -43.804 28.797 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -1.676 -42.498 29.192 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -3.481 -34.622 29.934 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -3.854 -35.448 30.244 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -3.204 -34.805 29.037 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.089 -36.646 27.755 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -5.736 -37.026 28.559 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -7.038 -36.739 27.841 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -1.585 -32.166 27.956 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -0.842 -31.580 27.816 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -2.280 -31.598 28.289 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -5.223 -37.973 29.981 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -5.500 -38.701 30.537 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -4.296 -37.854 30.187 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -11.998 -35.534 26.202 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -11.759 -36.282 25.654 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -12.267 -35.922 27.034 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -10.323 -34.266 29.407 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -11.140 -33.769 29.460 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -9.794 -33.791 28.767 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -9.960 -33.671 26.340 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -10.604 -34.302 26.662 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -9.198 -34.202 26.108 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -5.356 -33.854 26.574 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -5.073 -34.648 27.027 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -4.616 -33.621 26.013 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -14.401 -37.944 26.431 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -14.337 -38.738 26.962 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -13.748 -38.063 25.742 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -13.252 -39.972 28.737 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -13.711 -40.456 29.423 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -12.997 -40.640 28.101 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -12.181 -41.729 27.000 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -12.361 -41.883 26.072 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -11.230 -41.621 27.044 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.332 -38.505 30.420 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -1.482 -38.084 30.548 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -2.327 -39.245 31.028 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -1.938 -40.452 32.244 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -2.664 -40.931 32.642 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -1.357 -40.246 32.976 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -1.670 -40.551 28.635 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -2.191 -40.194 27.916 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -1.703 -39.876 29.313 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -3.321 -43.311 27.186 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -3.224 -42.644 26.506 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -3.461 -44.127 26.704 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -4.073 -45.903 26.303 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -3.463 -46.275 26.940 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -4.910 -46.325 26.499 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -4.441 -44.348 31.269 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -4.161 -45.255 31.394 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -3.682 -43.914 30.880 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -1.961 -47.018 27.846 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -1.548 -47.739 27.370 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -1.279 -46.348 27.904 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -2.929 -32.249 30.926 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -3.123 -32.997 30.361 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -2.968 -31.491 30.342 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -2.176 -27.467 -18.776 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -2.127 -26.857 -18.040 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -1.750 -27.006 -19.499 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -1.784 -25.989 -16.540 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -2.473 -25.331 -16.635 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.769 -26.186 -15.603 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -4.710 -28.436 -17.976 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -5.446 -27.825 -18.014 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -4.026 -28.021 -18.502 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -3.913 -18.474 -15.782 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -3.773 -19.065 -16.521 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -3.745 -17.601 -16.138 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -2.071 -22.134 -17.716 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -2.723 -21.439 -17.627 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -1.606 -21.924 -18.526 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -1.358 -15.793 -14.205 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -1.407 -16.748 -14.242 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.184 -15.525 -13.803 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -4.206 -24.300 -13.725 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -4.613 -23.819 -14.445 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -4.165 -25.205 -14.032 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -4.076 -11.925 -13.098 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -3.876 -11.501 -13.933 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -3.420 -11.582 -12.491 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -4.128 -20.310 -17.867 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -3.486 -19.853 -18.410 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -4.958 -20.197 -18.329 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -1.813 -18.752 -14.262 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -2.665 -18.514 -14.629 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -1.223 -18.769 -15.015 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -4.052 -26.920 -15.169 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -4.968 -26.657 -15.257 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -3.716 -26.923 -16.066 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -5.897 -21.455 -13.554 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -6.178 -20.746 -14.132 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -4.954 -21.528 -13.705 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -3.633 -17.906 -11.662 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -4.499 -18.011 -11.268 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -3.257 -17.147 -11.215 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -2.179 -18.811 -19.376 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -1.345 -19.189 -19.657 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -2.067 -17.868 -19.495 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -3.295 -21.105 -14.122 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -2.712 -21.839 -13.931 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -2.731 -20.333 -14.076 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -3.800 -24.174 -17.087 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -4.643 -23.906 -16.721 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -3.357 -23.352 -17.298 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -1.517 -30.194 -11.733 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -1.167 -30.848 -12.339 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -1.370 -29.357 -12.173 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -1.997 -28.085 -13.384 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -2.914 -27.814 -13.420 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -1.874 -28.620 -14.168 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.996 -29.995 -15.565 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -3.809 -29.670 -15.953 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.763 -30.755 -16.098 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -4.424 -30.439 -21.130 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -3.820 -29.891 -21.631 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -5.293 -30.119 -21.370 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -2.697 -29.300 -22.796 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -2.085 -29.814 -23.323 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -2.314 -28.422 -22.773 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -6.887 -30.715 -12.185 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -6.811 -31.141 -11.331 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -5.994 -30.701 -12.527 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -3.711 -14.642 -13.492 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -4.493 -14.828 -14.012 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -3.783 -13.713 -13.275 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -2.176 -27.467 0.080 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -2.127 -26.857 0.816 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -1.750 -27.006 -0.643 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -1.784 -25.989 2.316 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -2.473 -25.331 2.221 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -1.769 -26.186 3.253 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -5.057 -27.151 -2.799 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.272 -27.917 -2.267 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -4.401 -26.679 -2.286 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -4.710 -28.436 0.880 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -5.446 -27.825 0.842 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -4.026 -28.021 0.354 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -11.707 -30.349 -1.654 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -11.824 -31.298 -1.708 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -12.562 -30.017 -1.381 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -5.599 -17.040 -5.403 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -5.856 -17.730 -6.015 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.528 -17.483 -4.558 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -2.071 -22.134 1.140 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -2.723 -21.439 1.229 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -1.606 -21.924 0.330 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -3.465 -30.390 -8.704 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -4.364 -30.251 -8.409 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -3.213 -29.559 -9.106 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -2.275 -16.024 -10.327 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -2.202 -15.085 -10.157 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -1.370 -16.329 -10.384 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -4.206 -24.300 5.131 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -4.613 -23.819 4.411 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -4.165 -25.205 4.824 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -1.777 -24.552 -8.243 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -2.331 -24.948 -8.915 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -1.676 -23.642 -8.520 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -1.813 -18.752 4.594 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -2.665 -18.514 4.227 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -1.223 -18.769 3.841 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -3.481 -15.766 -7.778 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -3.854 -16.592 -7.468 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -3.204 -15.949 -8.675 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.089 -17.790 -9.957 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.736 -18.170 -9.153 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -7.038 -17.883 -9.871 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -1.585 -13.310 -9.756 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -0.842 -12.724 -9.896 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -2.280 -12.742 -9.423 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -5.223 -19.117 -7.731 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -5.500 -19.845 -7.175 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -4.296 -18.998 -7.525 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -4.052 -26.920 3.687 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -4.968 -26.657 3.599 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -3.716 -26.923 2.790 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -5.356 -14.998 -11.138 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -5.073 -15.792 -10.685 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -4.616 -14.765 -11.699 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -2.791 -20.518 -11.267 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -3.064 -20.943 -12.080 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -2.751 -19.587 -11.484 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -7.213 -24.244 7.224 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -7.021 -25.175 7.113 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -6.356 -23.819 7.214 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -8.425 -26.593 5.027 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -9.373 -26.561 5.159 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -8.113 -27.218 5.681 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -6.791 -27.959 7.032 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -6.888 -28.911 7.026 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -7.113 -27.690 7.893 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -2.332 -19.649 -7.292 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -1.482 -19.228 -7.164 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -2.327 -20.389 -6.684 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -1.938 -21.596 -5.468 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -2.664 -22.075 -5.070 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -1.357 -21.390 -4.736 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -1.670 -21.695 -9.077 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -2.191 -21.338 -9.796 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -1.703 -21.020 -8.399 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -3.321 -24.455 -10.526 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -3.224 -23.788 -11.206 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -3.461 -25.271 -11.008 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -3.295 -21.105 4.734 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -2.712 -21.839 4.925 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -2.731 -20.333 4.780 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -1.798 -23.202 5.418 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -2.661 -23.581 5.253 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -1.194 -23.941 5.344 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -4.073 -27.047 -11.409 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.463 -27.419 -10.772 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -4.910 -27.469 -11.213 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -4.441 -25.492 -6.443 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -4.161 -26.399 -6.318 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -3.682 -25.058 -6.832 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -3.800 -24.174 1.769 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -4.643 -23.906 2.135 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -3.357 -23.352 1.558 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -3.827 -28.229 -6.394 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.645 -28.678 -5.569 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -4.427 -28.814 -6.858 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -1.997 -28.085 5.472 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -2.914 -27.814 5.436 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -1.874 -28.620 4.688 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -2.996 -29.995 3.291 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -3.809 -29.670 2.903 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -2.763 -30.755 2.758 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -4.424 -30.439 -2.274 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -3.820 -29.891 -2.775 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -5.293 -30.119 -2.514 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -2.697 -29.300 -3.940 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -2.085 -29.814 -4.467 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -2.314 -28.422 -3.917 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -7.103 -29.955 -3.102 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -7.027 -29.860 -4.051 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -7.379 -30.863 -2.973 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -5.750 -29.929 -7.409 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -6.453 -29.315 -7.619 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -6.195 -30.767 -7.278 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -2.929 -13.393 -6.786 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -3.123 -14.141 -7.351 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -2.968 -12.635 -7.370 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -6.887 -30.715 6.671 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -6.811 -31.141 7.525 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -5.994 -30.701 6.329 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -8.161 -20.756 14.250 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.072 -19.812 14.118 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -8.800 -21.031 13.592 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -9.228 -21.501 17.669 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -9.266 -22.147 18.374 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -9.551 -21.967 16.898 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -10.839 -19.068 18.075 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -10.535 -19.754 17.481 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -10.117 -18.950 18.693 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -12.767 -22.626 15.653 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -12.151 -23.152 16.162 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -13.353 -23.266 15.249 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -8.364 -18.155 13.293 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -8.660 -18.477 12.442 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -8.688 -17.255 13.335 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -11.707 -30.349 17.202 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -11.824 -31.298 17.148 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -12.562 -30.017 17.475 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -5.599 -17.040 13.453 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.856 -17.730 12.841 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.528 -17.483 14.298 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -9.440 -21.512 11.702 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -10.152 -20.977 11.351 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -8.749 -21.456 11.042 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -9.386 -23.054 8.741 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -8.685 -23.032 9.392 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.084 -23.682 8.085 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -6.034 -21.302 12.654 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -6.766 -21.074 13.227 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -5.587 -22.016 13.109 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -13.022 -17.244 17.218 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -13.117 -17.822 16.461 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -12.293 -17.615 17.714 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -7.163 -22.140 10.339 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -6.584 -21.990 11.086 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -6.749 -21.669 9.616 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -9.437 -15.403 13.774 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -8.963 -15.108 14.552 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -10.000 -14.665 13.541 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -1.358 -15.793 23.507 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -1.407 -16.748 23.470 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -2.184 -15.525 23.909 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -10.379 -16.219 22.383 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -10.292 -15.393 22.858 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -11.243 -16.549 22.632 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -9.965 -12.447 12.189 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -10.040 -12.568 11.243 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -9.932 -11.497 12.308 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -7.194 -13.367 11.941 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -8.129 -13.267 12.120 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -6.914 -14.076 12.519 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -9.775 -29.724 21.354 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -9.355 -30.139 22.107 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -10.708 -29.902 21.471 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -5.686 -21.107 7.969 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -5.644 -21.330 7.039 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -4.837 -20.709 8.159 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -10.113 -27.231 8.639 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -10.367 -27.212 9.562 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -10.370 -28.103 8.338 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -14.350 -24.259 13.987 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -15.243 -24.600 13.928 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -13.899 -24.636 13.231 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -9.712 -23.668 24.292 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -10.275 -24.372 24.612 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -8.886 -23.788 24.759 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -8.546 -22.759 20.289 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -8.222 -23.390 19.646 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -8.986 -23.294 20.950 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -11.768 -26.832 15.073 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -12.679 -26.775 15.362 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -11.263 -26.892 15.884 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -13.287 -25.203 11.556 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -12.355 -25.074 11.734 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -13.502 -24.533 10.907 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -4.076 -11.925 24.614 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -3.876 -11.501 23.779 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -3.420 -11.582 25.221 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -10.448 -24.044 16.960 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -9.884 -24.591 16.413 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -10.596 -24.566 17.749 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -11.822 -25.656 19.374 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -12.657 -25.202 19.484 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -11.298 -25.380 20.126 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -9.758 -19.259 22.296 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -10.104 -19.640 23.102 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.958 -18.325 22.367 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -12.128 -22.170 24.356 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -12.424 -22.336 23.461 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -11.197 -22.390 24.346 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -3.481 -15.766 11.078 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -3.854 -16.592 11.388 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -3.204 -15.949 10.181 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -6.321 -20.958 18.100 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -7.249 -21.190 18.073 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -5.870 -21.735 17.770 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -12.351 -18.967 13.809 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -12.592 -18.042 13.851 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -13.091 -19.426 14.205 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -11.836 -14.818 20.124 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -11.473 -13.963 19.891 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -11.304 -15.110 20.865 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -8.292 -18.719 19.825 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.718 -18.946 20.651 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -7.711 -19.457 19.642 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -5.223 -19.117 11.125 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -5.500 -19.845 11.681 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -4.296 -18.998 11.331 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -10.792 -25.813 12.523 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -9.980 -25.309 12.569 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -11.037 -25.958 13.437 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -10.256 -24.827 21.708 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -10.137 -24.253 22.465 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -9.601 -25.515 21.823 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -9.908 -28.732 13.461 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -10.255 -28.114 14.106 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -9.250 -28.231 12.980 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -7.475 -15.943 24.838 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -7.826 -16.799 25.081 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -6.749 -15.800 25.445 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -12.087 -19.462 24.876 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -12.415 -19.191 24.018 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -11.935 -20.403 24.788 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -2.791 -20.518 7.589 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -3.064 -20.943 6.776 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -2.751 -19.587 7.372 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -13.211 -27.498 20.812 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -12.675 -27.047 20.160 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -14.063 -27.606 20.390 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -11.629 -22.059 21.052 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -10.878 -22.215 20.479 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -11.968 -21.207 20.776 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -12.405 -30.042 21.244 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -12.503 -29.095 21.138 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -13.148 -30.414 20.768 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -11.141 -25.720 24.807 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -11.377 -25.940 25.709 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -11.924 -25.927 24.298 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -8.425 -26.593 23.883 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -9.373 -26.561 24.015 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -8.113 -27.218 24.537 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -6.791 -27.959 25.888 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -6.888 -28.911 25.882 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -7.113 -27.690 26.749 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -12.183 -30.748 23.915 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -11.471 -31.388 23.901 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -12.284 -30.481 23.001 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -3.633 -17.906 26.050 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -4.499 -18.011 26.444 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -3.257 -17.147 26.497 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -2.332 -19.649 11.564 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -1.482 -19.228 11.692 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -2.327 -20.389 12.172 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -1.670 -21.695 9.779 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -2.191 -21.338 9.060 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -1.703 -21.020 10.457 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -4.909 -13.173 14.062 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -4.256 -13.520 13.454 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -4.398 -12.684 14.708 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -10.259 -13.870 23.823 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -10.074 -14.204 24.701 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -9.412 -13.561 23.501 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -7.914 -12.585 23.067 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -7.237 -13.217 22.827 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -7.592 -12.183 23.875 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -9.990 -12.525 19.117 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -10.447 -11.996 18.463 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -9.827 -11.922 19.842 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -13.075 -14.210 17.325 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -12.862 -15.098 17.038 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -13.010 -14.244 18.280 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -9.566 -28.546 16.470 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -10.241 -29.175 16.725 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -9.002 -29.030 15.867 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -12.660 -29.985 14.105 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -11.786 -29.597 14.075 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -12.796 -30.200 15.028 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -11.516 -27.905 10.995 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -11.338 -28.551 11.678 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -11.570 -27.071 11.462 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -2.929 -13.393 12.070 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -3.123 -14.141 11.505 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -2.968 -12.635 11.486 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -6.887 -30.715 25.527 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -6.811 -31.141 26.381 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -5.994 -30.701 25.185 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -3.711 -14.642 24.220 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -4.493 -14.828 23.700 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -3.783 -13.713 24.437 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -9.440 -21.512 30.558 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -10.152 -20.977 30.207 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -8.749 -21.456 29.898 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -9.386 -23.054 27.597 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -8.685 -23.032 28.248 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -9.084 -23.682 26.941 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -6.034 -21.302 31.510 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.766 -21.074 32.083 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -5.587 -22.016 31.965 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -7.163 -22.140 29.195 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -6.584 -21.990 29.942 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -6.749 -21.669 28.472 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -3.465 -30.390 29.008 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -4.364 -30.251 29.303 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -3.213 -29.559 28.606 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -2.275 -16.024 27.385 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -2.202 -15.085 27.555 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -1.370 -16.329 27.328 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -10.113 -27.231 27.495 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -10.367 -27.212 28.418 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -10.370 -28.103 27.194 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -8.814 -23.843 31.660 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -9.223 -23.028 31.368 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.094 -23.983 31.045 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -11.278 -19.443 29.915 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -12.022 -19.950 29.592 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -11.412 -19.394 30.861 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -7.380 -26.629 28.114 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -8.318 -26.517 27.963 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -7.083 -25.772 28.420 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -6.662 -24.762 29.775 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -5.770 -24.899 30.094 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -6.605 -23.971 29.238 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -9.152 -17.984 28.940 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.447 -17.158 29.322 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -9.855 -18.604 29.136 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -1.777 -24.552 29.469 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -2.331 -24.948 28.797 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -1.676 -23.642 29.192 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -3.481 -15.766 29.934 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -3.854 -16.592 30.244 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -3.204 -15.949 29.037 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -6.089 -17.790 27.755 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -5.736 -18.170 28.559 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.038 -17.883 27.841 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -1.585 -13.310 27.956 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -0.842 -12.724 27.816 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -2.280 -12.742 28.289 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -5.223 -19.117 29.981 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -5.500 -19.845 30.537 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -4.296 -18.998 30.187 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -7.992 -27.541 30.544 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -7.772 -27.069 29.741 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -7.434 -27.146 31.215 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -5.356 -14.998 26.574 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -5.073 -15.792 27.027 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -4.616 -14.765 26.013 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -9.049 -18.041 26.167 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -9.317 -17.861 27.068 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -9.255 -18.967 26.036 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -12.181 -22.873 27.000 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -12.361 -23.027 26.072 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -11.230 -22.765 27.044 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -2.332 -19.649 30.420 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -1.482 -19.228 30.548 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -2.327 -20.389 31.028 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -1.938 -21.596 32.244 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -2.664 -22.075 32.642 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -1.357 -21.390 32.976 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -4.151 -23.075 32.807 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -4.301 -24.020 32.787 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -4.505 -22.794 33.651 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -4.441 -25.492 31.269 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -4.161 -26.399 31.394 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -3.682 -25.058 30.880 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -3.827 -28.229 31.318 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -3.645 -28.678 32.143 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -4.427 -28.814 30.854 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -1.961 -28.162 27.846 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -1.548 -28.883 27.370 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -1.279 -27.492 27.904 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -5.750 -29.929 30.303 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -6.453 -29.315 30.093 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -6.195 -30.767 30.434 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -1.798 -4.346 -13.438 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -2.661 -4.725 -13.603 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -1.194 -5.085 -13.512 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -1.517 -11.338 -11.733 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -1.167 -11.992 -12.339 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -1.370 -10.501 -12.173 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -1.997 -9.229 -13.384 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -2.914 -8.958 -13.420 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -1.874 -9.764 -14.168 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -5.522 0.294 -2.885 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -5.963 -0.426 -2.435 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -5.535 1.015 -2.255 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -8.411 5.399 -2.673 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -7.791 4.722 -2.946 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -8.619 5.181 -1.765 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -2.176 -8.611 0.080 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -2.127 -8.001 0.816 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -1.750 -8.150 -0.643 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -1.784 -7.133 2.316 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -2.473 -6.475 2.221 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -1.769 -7.330 3.253 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -5.057 -8.295 -2.799 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -5.272 -9.061 -2.267 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -4.401 -7.823 -2.286 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -5.010 2.134 -0.537 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -5.952 2.192 -0.376 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -4.734 3.040 -0.674 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -6.758 3.915 -3.912 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -6.333 3.208 -4.397 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -6.441 4.716 -4.329 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -5.599 1.816 -5.403 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -5.856 1.126 -6.015 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -5.528 1.373 -4.558 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -3.913 0.382 3.074 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -3.773 -0.209 2.335 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -3.745 1.255 2.718 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -2.071 -3.278 1.140 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -2.723 -2.583 1.229 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -1.606 -3.068 0.330 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -6.034 -2.446 -6.202 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -6.766 -2.218 -5.629 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -5.587 -3.160 -5.747 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -7.713 2.456 0.048 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -7.954 3.118 0.696 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -7.911 1.622 0.473 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -3.465 -11.534 -8.704 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -4.364 -11.395 -8.409 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -3.213 -10.703 -9.106 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -2.275 2.832 -10.327 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -2.202 3.771 -10.157 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -1.370 2.527 -10.384 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -1.358 3.063 4.651 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -1.407 2.108 4.614 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -2.184 3.331 5.053 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -7.194 5.489 -6.915 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -8.129 5.589 -6.736 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -6.914 4.780 -6.337 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -4.128 -1.454 0.989 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -3.486 -0.997 0.446 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -4.958 -1.341 0.527 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -1.777 -5.696 -8.243 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -2.331 -6.092 -8.915 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -1.676 -4.786 -8.520 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -1.813 0.104 4.594 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -2.665 0.342 4.227 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -1.223 0.087 3.841 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -3.481 3.090 -7.778 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -3.854 2.264 -7.468 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -3.204 2.907 -8.675 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -6.321 -2.102 -0.756 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -7.249 -2.334 -0.783 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -5.870 -2.879 -1.086 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -5.633 4.689 3.438 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -6.235 4.134 2.943 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -5.352 5.356 2.812 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -1.585 5.546 -9.756 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -0.842 6.132 -9.896 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -2.280 6.114 -9.423 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -5.223 -0.261 -7.731 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -5.500 -0.989 -7.175 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -4.296 -0.142 -7.525 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -5.450 -4.313 -2.217 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -6.247 -4.728 -2.546 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -5.005 -5.004 -1.726 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -2.791 -1.662 -11.267 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -3.064 -2.087 -12.080 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -2.751 -0.731 -11.484 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -2.084 5.160 2.556 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -2.571 4.425 2.185 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -1.535 4.767 3.234 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -2.332 -0.793 -7.292 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -1.482 -0.372 -7.164 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -2.327 -1.533 -6.684 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.692 2.923 1.787 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -4.340 3.248 2.412 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -4.210 2.483 1.112 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -1.670 -2.839 -9.077 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -2.191 -2.482 -9.796 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -1.703 -2.164 -8.399 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -3.321 -5.599 -10.526 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -3.224 -4.932 -11.206 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -3.461 -6.415 -11.008 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -4.151 -4.219 -4.905 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -4.301 -5.164 -4.925 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -4.505 -3.938 -4.061 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -3.295 -2.249 4.734 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -2.712 -2.983 4.925 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -2.731 -1.477 4.780 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -1.798 -4.346 5.418 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -2.661 -4.725 5.253 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -1.194 -5.085 5.344 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -4.073 -8.191 -11.409 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -3.463 -8.563 -10.772 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -4.910 -8.613 -11.213 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -4.441 -6.636 -6.443 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -4.161 -7.543 -6.318 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -3.682 -6.202 -6.832 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -3.829 -6.055 -1.007 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -2.896 -5.843 -1.041 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -4.064 -5.953 -0.084 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -3.800 -5.318 1.769 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -4.643 -5.050 2.135 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -3.357 -4.496 1.558 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.827 -9.373 -6.394 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.645 -9.822 -5.569 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -4.427 -9.958 -6.858 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -1.961 -9.306 -9.866 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -1.548 -10.027 -10.342 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -1.279 -8.636 -9.808 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -4.909 5.683 -4.794 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -4.256 5.336 -5.402 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -4.398 6.172 -4.148 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -7.663 5.209 1.206 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -8.567 5.374 0.940 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -7.234 6.062 1.140 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -5.058 6.779 1.501 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -5.240 7.695 1.290 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -4.882 6.369 0.654 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -2.697 -10.444 -3.940 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -2.085 -10.958 -4.467 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -2.314 -9.566 -3.917 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -2.929 5.463 -6.786 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -3.123 4.715 -7.351 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -2.968 6.221 -7.370 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -2.176 -8.611 18.936 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -2.127 -8.001 19.672 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -1.750 -8.150 18.213 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -5.057 -8.295 16.057 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -5.272 -9.061 16.589 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -4.401 -7.823 16.570 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -4.710 -9.580 19.736 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -5.446 -8.969 19.698 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -4.026 -9.165 19.210 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -11.707 -11.493 17.202 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -11.824 -12.442 17.148 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -12.562 -11.161 17.475 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -2.071 -3.278 19.996 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -2.723 -2.583 20.085 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -1.606 -3.068 19.186 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -6.137 -4.272 21.722 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -6.057 -3.509 22.294 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -6.738 -3.993 21.031 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -4.206 -5.444 23.987 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -4.613 -4.963 23.267 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -4.165 -6.349 23.680 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -9.775 -10.868 21.354 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -9.355 -11.283 22.107 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -10.708 -11.046 21.471 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -6.449 -7.112 22.208 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -6.963 -7.238 23.005 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -6.604 -6.200 21.963 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -7.363 -8.741 18.337 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -8.040 -8.610 19.001 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -7.849 -8.896 17.527 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -4.128 -1.454 19.845 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -3.486 -0.997 19.302 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -4.958 -1.341 19.383 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -1.813 0.104 23.450 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -2.665 0.342 23.083 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -1.223 0.087 22.697 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -4.052 -8.064 22.543 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -4.968 -7.801 22.455 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -3.716 -8.067 21.646 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -5.897 -2.599 24.158 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -6.178 -1.890 23.580 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -4.954 -2.672 24.007 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -3.295 -2.249 23.590 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -2.712 -2.983 23.781 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -2.731 -1.477 23.636 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -1.798 -4.346 24.274 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -2.661 -4.725 24.109 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -1.194 -5.085 24.200 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -3.829 -6.055 17.849 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -2.896 -5.843 17.815 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -4.064 -5.953 18.772 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -3.800 -5.318 20.625 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -4.643 -5.050 20.991 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -3.357 -4.496 20.414 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -1.517 -11.338 25.979 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -1.167 -11.992 25.373 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -1.370 -10.501 25.539 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -2.996 -11.139 22.147 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -3.809 -10.814 21.759 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -2.763 -11.899 21.614 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -9.566 -9.690 16.470 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -10.241 -10.319 16.725 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -9.002 -10.174 15.867 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -4.424 -11.583 16.582 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -3.820 -11.035 16.081 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -5.293 -11.263 16.342 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -2.697 -10.444 14.916 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -2.085 -10.958 14.389 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -2.314 -9.566 14.939 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -7.103 -11.099 15.754 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -7.027 -11.004 14.805 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -7.379 -12.007 15.883 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -5.750 -11.073 11.447 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -6.453 -10.459 11.237 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -6.195 -11.911 11.578 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -6.887 -11.859 25.527 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -6.811 -12.285 26.381 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -5.994 -11.845 25.185 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -3.465 -11.534 29.008 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -4.364 -11.395 29.303 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -3.213 -10.703 28.606 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 -1.777 -5.696 29.469 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 -2.331 -6.092 28.797 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -1.676 -4.786 29.192 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -2.791 -1.662 26.445 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -3.064 -2.087 25.632 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -2.751 -0.731 26.228 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -1.670 -2.839 28.635 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -2.191 -2.482 27.916 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -1.703 -2.164 29.313 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -3.321 -5.599 27.186 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -3.224 -4.932 26.506 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -3.461 -6.415 26.704 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -4.073 -8.191 26.303 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -3.463 -8.563 26.940 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -4.910 -8.613 26.499 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -1.961 -9.306 27.846 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -1.548 -10.027 27.370 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -1.279 -8.636 27.904 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -2.176 10.245 0.080 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -2.127 10.855 0.816 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -1.750 10.706 -0.643 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -4.710 9.276 0.880 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -5.446 9.887 0.842 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -4.026 9.691 0.354 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -3.465 7.322 -8.704 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -4.364 7.461 -8.409 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -3.213 8.153 -9.106 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -3.827 9.483 -6.394 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -3.645 9.034 -5.569 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -4.427 8.898 -6.858 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 -2.996 7.717 3.291 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 -3.809 8.042 2.903 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -2.763 6.957 2.758 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 -4.424 7.273 -2.274 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 -3.820 7.821 -2.775 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 -5.293 7.593 -2.514 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -2.697 8.412 -3.940 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -2.085 7.898 -4.467 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -2.314 9.290 -3.917 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 -7.103 7.757 -3.102 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 -7.027 7.852 -4.051 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 -7.379 6.849 -2.973 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 -5.750 7.783 -7.409 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 -6.453 8.397 -7.619 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 -6.195 6.945 -7.278 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 2.920 -55.148 -19.915 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 2.550 -55.950 -20.284 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 3.861 -55.317 -19.868 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 5.714 -55.216 -14.825 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 5.402 -54.434 -14.369 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 5.064 -55.369 -15.511 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 3.953 -53.144 -14.061 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 3.961 -53.280 -15.009 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 3.037 -53.262 -13.809 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 -0.450 -56.951 -16.771 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 -0.951 -56.979 -17.586 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 -0.444 -57.857 -16.461 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 -0.699 -54.171 -19.887 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 0.247 -54.315 -19.906 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 -0.812 -53.387 -19.350 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 17.498 -53.505 -14.205 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 17.449 -54.460 -14.242 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 16.672 -53.237 -13.803 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 8.477 -53.931 -15.329 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 8.564 -53.105 -14.854 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 7.613 -54.261 -15.080 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 2.545 -51.370 -23.742 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 2.697 -51.718 -22.863 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 1.694 -51.726 -23.997 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 1.799 -55.628 -15.728 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 2.016 -55.989 -14.868 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 0.944 -56.002 -15.938 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 9.098 -56.971 -15.416 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 8.752 -57.352 -14.610 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.898 -56.037 -15.345 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 11.348 -54.509 -15.466 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 10.447 -54.326 -15.734 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 11.382 -54.250 -14.545 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 7.020 -52.530 -17.588 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 7.383 -51.675 -17.821 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 7.552 -52.822 -16.847 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 13.223 -51.879 -15.418 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 12.621 -52.434 -15.913 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 13.504 -51.212 -16.044 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 0.996 -52.841 -17.576 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 1.213 -53.773 -17.607 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 1.243 -52.567 -16.692 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 11.381 -53.655 -12.874 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 11.030 -54.511 -12.631 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 12.107 -53.512 -12.267 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 6.769 -57.174 -12.836 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 6.441 -56.903 -13.694 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 6.921 -58.115 -12.924 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 9.913 -58.464 -12.197 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 10.866 -58.380 -12.225 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 9.753 -59.175 -11.578 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 -1.210 -49.865 -24.007 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 -1.857 -50.327 -24.540 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 -0.855 -50.537 -23.424 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 -0.340 -51.784 -22.202 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 -0.674 -52.665 -22.030 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 -0.118 -51.439 -21.338 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 16.772 -51.408 -16.300 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 16.285 -52.143 -16.671 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 17.321 -51.801 -15.622 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 15.223 -55.618 -11.662 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 14.357 -55.723 -11.268 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 15.599 -54.859 -11.215 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 1.332 -53.956 -13.107 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 0.511 -53.781 -13.567 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 1.080 -54.029 -12.186 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 4.286 -52.981 -16.848 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 3.861 -52.172 -17.131 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 5.191 -52.896 -17.150 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 10.942 -50.297 -14.645 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 11.619 -50.929 -14.885 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 11.264 -49.895 -13.837 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 8.866 -50.237 -18.595 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 8.409 -49.708 -19.249 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 9.029 -49.634 -17.870 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 11.193 -51.359 -17.650 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 10.289 -51.194 -17.916 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 11.622 -50.506 -17.716 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 13.798 -49.789 -17.355 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 13.616 -48.873 -17.566 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 13.974 -50.199 -18.202 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 1.103 -51.102 -19.890 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 1.084 -51.527 -19.033 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 1.908 -51.420 -20.299 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 3.244 -52.392 -21.235 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 3.025 -53.308 -21.066 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 4.068 -52.252 -20.769 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 5.781 -51.922 -20.387 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 5.994 -52.810 -20.674 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 5.846 -51.956 -19.432 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 15.145 -52.354 -13.492 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 14.363 -52.540 -14.012 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 15.073 -51.425 -13.275 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 10.695 -58.468 -4.606 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 10.784 -57.524 -4.738 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 10.056 -58.743 -5.264 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 9.628 -59.213 -1.187 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 9.590 -59.859 -0.482 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 9.305 -59.679 -1.958 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 1.996 -59.598 0.406 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 2.038 -60.224 1.130 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 2.699 -58.975 0.588 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 0.240 -59.326 -3.540 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 0.454 -60.096 -3.013 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 0.978 -59.237 -4.143 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 11.158 -62.386 -0.453 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 11.301 -63.333 -0.433 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 11.052 -62.179 -1.382 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 0.933 -61.888 -2.419 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 1.587 -62.438 -1.987 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 0.957 -62.162 -3.335 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 6.089 -60.338 -3.203 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 6.705 -60.864 -2.694 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 5.503 -60.978 -3.607 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 17.072 -63.701 2.316 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 16.383 -63.043 2.221 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 17.087 -63.898 3.253 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 2.717 -63.475 -1.154 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 3.330 -62.842 -0.781 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 3.229 -63.947 -1.811 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 0.221 -56.056 -7.250 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 -0.051 -55.827 -8.139 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 0.266 -55.218 -6.790 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 9.416 -59.224 -7.154 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 8.704 -58.689 -7.505 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 10.107 -59.168 -7.814 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 16.785 -59.846 1.140 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 16.133 -59.151 1.229 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 17.250 -59.636 0.330 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 12.822 -59.014 -6.202 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 12.090 -58.786 -5.629 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 13.269 -59.728 -5.747 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 11.693 -59.852 -8.517 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 12.272 -59.702 -7.770 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 12.107 -59.381 -9.240 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 3.457 -59.314 -6.730 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 3.165 -58.546 -7.221 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 2.783 -59.974 -6.893 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 16.581 -53.736 -10.327 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 16.654 -52.797 -10.157 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 17.486 -54.041 -10.384 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 14.650 -62.012 5.131 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 14.243 -61.531 4.411 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 14.691 -62.917 4.824 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 12.407 -63.680 3.352 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 11.893 -63.806 4.149 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 12.252 -62.768 3.107 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 13.170 -58.819 -10.887 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 13.212 -59.042 -11.817 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 14.019 -58.421 -10.697 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 4.509 -62.192 0.219 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 3.867 -62.233 0.928 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 4.546 -61.266 -0.019 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 4.506 -61.971 -4.869 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 3.613 -62.312 -4.928 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 4.957 -62.348 -5.625 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 10.042 -61.555 -6.052 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 9.633 -60.740 -6.344 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 10.762 -61.695 -6.667 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 9.144 -61.380 5.436 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 8.581 -62.084 5.756 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 9.970 -61.500 5.903 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 11.046 -62.109 -3.238 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 10.851 -61.504 -3.953 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 11.228 -62.943 -3.673 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 2.259 -61.872 2.086 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 2.221 -61.472 2.954 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 1.768 -62.689 2.176 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 8.408 -61.756 -1.896 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 8.972 -62.303 -2.443 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 8.260 -62.278 -1.107 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 7.034 -63.368 0.518 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 6.199 -62.914 0.628 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 7.558 -63.092 1.270 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 7.578 -57.155 -7.797 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 6.834 -57.662 -8.120 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 7.444 -57.106 -6.851 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 9.704 -55.696 -8.772 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 9.409 -54.870 -8.390 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 9.001 -56.316 -8.576 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 6.728 -59.882 5.500 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 6.432 -60.048 4.605 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 7.659 -60.102 5.490 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 15.375 -53.478 -7.778 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 15.002 -54.304 -7.468 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 15.652 -53.661 -8.675 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 6.505 -56.679 -5.047 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 6.264 -55.754 -5.005 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 5.765 -57.138 -4.651 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 12.767 -55.502 -9.957 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 13.120 -55.882 -9.153 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 11.818 -55.595 -9.871 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 17.271 -51.022 -9.756 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 18.014 -50.436 -9.896 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 16.576 -50.454 -9.423 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 13.633 -56.829 -7.731 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 13.356 -57.557 -7.175 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 14.560 -56.710 -7.525 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 5.795 -54.820 -9.054 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 5.942 -55.340 -8.264 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 5.792 -53.913 -8.748 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 2.248 -57.567 -8.544 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 1.562 -57.215 -7.977 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 2.771 -56.804 -8.790 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 10.080 -64.905 1.735 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 10.778 -64.831 2.385 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 9.699 -65.769 1.890 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 8.600 -62.539 2.852 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 8.719 -61.965 3.609 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 9.255 -63.227 2.967 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 14.804 -64.632 3.687 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 13.888 -64.369 3.599 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 15.140 -64.635 2.790 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 13.406 -60.881 -2.217 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 12.609 -61.296 -2.546 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 13.851 -61.572 -1.726 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 2.864 -54.953 -9.647 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 3.456 -54.254 -9.371 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 3.323 -55.386 -10.366 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 0.918 -53.567 -5.697 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 0.086 -53.094 -5.670 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 1.464 -53.057 -6.296 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 13.500 -52.710 -11.138 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 13.783 -53.504 -10.685 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 14.240 -52.477 -11.699 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 4.455 -56.800 -11.281 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 4.519 -57.594 -10.750 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 5.108 -56.919 -11.970 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 9.807 -55.753 -11.545 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 9.539 -55.573 -10.644 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 9.601 -56.679 -11.676 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 0.946 -59.944 6.007 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 1.354 -60.801 5.886 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 0.686 -59.929 6.928 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 4.893 -60.935 3.381 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 4.275 -60.260 3.662 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 5.237 -60.614 2.548 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 5.233 -63.580 4.464 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 5.383 -64.309 3.861 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 5.235 -62.803 3.905 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 7.227 -59.771 2.196 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 7.978 -59.927 1.623 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 6.888 -58.919 1.920 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 11.643 -61.956 7.224 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 11.835 -62.887 7.113 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 12.500 -61.531 7.214 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 3.711 -62.382 6.375 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 2.944 -62.914 6.165 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 4.390 -62.692 5.776 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 7.715 -63.432 5.951 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 7.479 -63.652 6.853 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 6.932 -63.639 5.442 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 10.431 -64.305 5.027 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 9.483 -64.273 5.159 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 10.743 -64.930 5.681 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 0.141 -55.258 -10.228 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 1.055 -55.179 -9.955 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 0.148 -55.945 -10.895 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 -1.210 -49.865 -5.151 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 -1.857 -50.327 -5.684 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 -0.855 -50.537 -4.568 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 -0.340 -51.784 -3.346 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 -0.674 -52.665 -3.174 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.118 -51.439 -2.482 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 16.524 -57.361 -7.292 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 17.374 -56.940 -7.164 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 16.529 -58.101 -6.684 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 16.918 -59.308 -5.468 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 16.192 -59.787 -5.070 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 17.499 -59.102 -4.736 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 17.186 -59.407 -9.077 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 16.665 -59.050 -9.796 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 17.153 -58.732 -8.399 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 14.705 -60.787 -4.905 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 14.555 -61.732 -4.925 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 14.351 -60.506 -4.061 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 -0.260 -58.709 -0.895 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 -0.076 -58.791 -1.830 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 0.589 -58.833 -0.471 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 17.058 -60.914 5.418 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 16.195 -61.293 5.253 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 17.662 -61.653 5.344 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 15.027 -62.623 -1.007 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 15.960 -62.411 -1.041 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 14.792 -62.521 -0.084 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 15.056 -61.886 1.769 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 14.213 -61.618 2.135 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 15.499 -61.064 1.558 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 -0.662 -63.438 5.246 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 0.257 -63.560 5.482 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 -1.112 -64.188 5.635 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 -1.137 -62.127 -0.794 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 -0.645 -62.348 -1.584 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 -0.775 -61.286 -0.513 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 0.354 -51.878 -7.863 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 -0.331 -51.916 -8.531 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 0.357 -50.965 -7.575 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 15.927 -51.105 -6.786 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 15.733 -51.853 -7.351 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 15.888 -50.347 -7.370 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 10.695 -58.468 14.250 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 10.784 -57.524 14.118 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 10.056 -58.743 13.592 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 1.996 -59.598 19.262 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 2.038 -60.224 19.986 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 2.699 -58.975 19.444 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 13.334 -56.274 15.971 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 12.893 -56.994 16.421 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 13.321 -55.553 16.601 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 0.240 -59.326 15.316 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 0.454 -60.096 15.843 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 0.978 -59.237 14.713 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 8.017 -56.780 18.075 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 8.321 -57.466 17.481 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 8.739 -56.662 18.693 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 6.089 -60.338 15.653 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 6.705 -60.864 16.162 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 5.503 -60.978 15.249 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 10.492 -55.867 13.293 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 10.196 -56.189 12.442 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 10.168 -54.967 13.335 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 5.692 -57.691 20.037 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 4.952 -57.093 20.140 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 6.406 -57.137 19.721 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 4.100 -55.727 20.824 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 4.094 -54.848 20.446 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 3.246 -55.810 21.249 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 13.257 -54.752 13.453 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 13.000 -55.442 12.841 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 13.328 -55.195 14.298 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 14.943 -56.186 21.930 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 15.083 -56.777 21.191 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 15.111 -55.313 21.574 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 9.416 -59.224 11.702 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 8.704 -58.689 11.351 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 10.107 -59.168 11.042 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 9.470 -60.766 8.741 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 10.171 -60.744 9.392 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 9.772 -61.394 8.085 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 12.822 -59.014 12.654 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 12.090 -58.786 13.227 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 13.269 -59.728 13.109 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 4.467 -58.384 14.537 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 4.137 -58.754 13.718 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 5.055 -59.054 14.883 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 4.834 -59.615 18.170 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 5.399 -59.494 17.407 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 5.153 -58.978 18.809 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 5.714 -55.216 22.887 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 5.402 -54.434 23.343 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 5.064 -55.369 22.201 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 11.693 -59.852 10.339 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 12.272 -59.702 11.086 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 12.107 -59.381 9.616 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 9.419 -53.115 13.774 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 9.893 -52.820 14.552 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 8.856 -52.377 13.541 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 3.953 -53.144 23.651 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 3.961 -53.280 22.703 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 3.037 -53.262 23.903 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 3.457 -59.314 12.126 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 3.165 -58.546 11.635 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 2.783 -59.974 11.963 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 -0.450 -56.951 20.941 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 -0.951 -56.979 20.126 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 -0.444 -57.857 21.251 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 17.498 -53.505 23.507 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 17.449 -54.460 23.470 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 16.672 -53.237 23.909 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 8.477 -53.931 22.383 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 8.564 -53.105 22.858 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 7.613 -54.261 22.632 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 11.993 -51.005 9.192 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 12.368 -51.749 8.721 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 11.997 -51.275 10.110 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.662 -51.079 11.941 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 10.727 -50.979 12.120 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 11.942 -51.788 12.519 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 1.799 -55.628 21.984 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 2.016 -55.989 22.844 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 0.944 -56.002 21.774 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 4.506 -61.971 13.987 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 3.613 -62.312 13.928 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 4.957 -62.348 13.231 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 5.569 -62.915 11.556 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 6.501 -62.786 11.734 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 5.354 -62.245 10.907 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 4.243 -61.720 9.123 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 3.701 -62.100 8.432 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 5.077 -61.526 8.694 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 14.780 -49.637 24.614 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 14.980 -49.213 23.779 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 15.436 -49.294 25.221 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 14.728 -58.022 19.845 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 15.370 -57.565 19.302 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 13.898 -57.909 19.383 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 9.098 -56.971 22.296 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 8.752 -57.352 23.102 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 8.898 -56.037 22.367 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 12.194 -62.474 10.919 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 13.086 -62.611 11.238 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 12.251 -61.683 10.382 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 2.703 -57.860 16.828 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 3.448 -57.862 16.227 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 2.781 -58.684 17.310 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 9.704 -55.696 10.084 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 9.409 -54.870 10.466 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 9.001 -56.316 10.280 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 11.348 -54.509 22.246 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 10.447 -54.326 21.978 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 11.382 -54.250 23.167 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 17.079 -62.264 10.613 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 16.525 -62.660 9.941 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 17.180 -61.354 10.336 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 15.375 -53.478 11.078 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 15.002 -54.304 11.388 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 15.652 -53.661 10.181 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 12.535 -58.670 18.100 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 11.607 -58.902 18.073 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 12.986 -59.447 17.770 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 0.833 -59.480 8.820 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 1.449 -58.853 9.199 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -0.029 -59.164 9.091 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 10.564 -56.431 19.825 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.138 -56.658 20.651 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 11.145 -57.169 19.642 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 13.223 -51.879 22.294 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 12.621 -52.434 21.799 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 13.504 -51.212 21.668 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 17.271 -51.022 9.100 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 18.014 -50.436 8.960 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 16.576 -50.454 9.433 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 0.996 -52.841 20.136 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 1.213 -53.773 20.105 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 1.243 -52.567 21.020 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 1.180 -62.289 8.325 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 1.135 -61.350 8.504 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 0.292 -62.525 8.055 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 0.207 -50.954 24.489 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 0.747 -51.171 25.248 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 -0.274 -51.760 24.299 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 4.804 -52.035 26.109 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 5.572 -52.494 26.450 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 4.783 -52.261 25.179 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 11.381 -53.655 24.838 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 11.030 -54.511 25.081 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 12.107 -53.512 25.445 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 9.807 -55.753 7.311 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 9.539 -55.573 8.212 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 9.601 -56.679 7.180 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 12.504 -57.258 22.259 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 13.249 -56.670 22.139 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 11.747 -56.676 22.322 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 5.604 -58.828 9.881 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 5.145 -59.312 10.567 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 5.859 -59.496 9.245 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 6.675 -60.585 8.144 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 6.495 -60.739 7.216 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 7.626 -60.477 8.188 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 17.209 -50.975 18.490 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 17.187 -50.790 19.429 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 17.899 -50.406 18.149 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 16.772 -51.408 21.412 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 16.285 -52.143 21.041 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 17.321 -51.801 22.090 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 16.524 -57.361 11.564 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 17.374 -56.940 11.692 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 16.529 -58.101 12.172 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 16.918 -59.308 13.388 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 16.192 -59.787 13.786 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 17.499 -59.102 14.120 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 16.677 -56.523 18.336 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 17.511 -56.901 18.055 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 16.789 -55.580 18.217 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 15.164 -53.645 20.643 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 14.516 -53.320 21.268 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 14.646 -54.085 19.968 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 17.186 -59.407 9.779 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 16.665 -59.050 9.060 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 17.153 -58.732 10.457 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 15.535 -62.167 8.330 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 15.632 -61.500 7.650 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 15.395 -62.983 7.848 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 14.705 -60.787 13.951 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 14.555 -61.732 13.931 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 14.351 -60.506 14.795 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 -0.260 -58.709 17.961 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 -0.076 -58.791 17.026 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 0.589 -58.833 18.385 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 13.947 -50.885 14.062 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 14.600 -51.232 13.454 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 14.458 -50.396 14.708 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 1.332 -53.956 24.605 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 0.511 -53.781 24.145 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 1.080 -54.029 25.526 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 8.597 -51.582 23.823 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 8.782 -51.916 24.701 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 9.444 -51.273 23.501 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 10.942 -50.297 23.067 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 11.619 -50.929 22.827 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 11.264 -49.895 23.875 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 15.927 -51.105 12.070 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 15.733 -51.853 11.505 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 15.888 -50.347 11.486 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 15.145 -52.354 24.220 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 14.363 -52.540 23.700 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 15.073 -51.425 24.437 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 8.896 -52.527 26.340 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 8.252 -53.158 26.662 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 9.658 -53.058 26.108 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 6.573 -49.894 28.001 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 7.506 -49.736 28.145 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 6.309 -49.219 27.376 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 2.172 -50.958 26.874 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 1.904 -50.671 27.747 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 2.943 -51.504 27.026 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 9.628 -40.357 -20.043 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 9.590 -41.003 -19.338 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 9.305 -40.823 -20.814 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 -0.470 -42.632 -24.522 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 -0.918 -41.786 -24.540 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 -1.031 -43.212 -25.037 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 10.445 -32.313 -21.529 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 11.065 -32.990 -21.802 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 10.237 -32.531 -20.621 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 8.017 -37.924 -19.637 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 8.321 -38.610 -20.231 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 8.739 -37.806 -19.019 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 11.158 -43.530 -19.309 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 11.301 -44.477 -19.289 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 11.052 -43.323 -20.238 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 4.313 -45.429 -22.037 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 4.356 -44.569 -22.455 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 3.855 -45.981 -22.670 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 6.089 -41.482 -22.059 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 6.705 -42.008 -21.550 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 5.503 -42.122 -22.463 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 17.072 -44.845 -16.540 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 16.383 -44.187 -16.635 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 17.087 -45.042 -15.603 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 5.692 -38.835 -17.675 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 4.952 -38.237 -17.572 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 6.406 -38.281 -17.991 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 4.100 -36.871 -16.888 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 4.094 -35.992 -17.266 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 3.246 -36.954 -16.463 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 0.221 -37.200 -26.106 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 -0.051 -36.971 -26.995 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 0.266 -36.362 -25.646 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 14.146 -47.292 -17.976 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 13.410 -46.681 -18.014 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 14.830 -46.877 -18.502 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 7.149 -49.205 -20.510 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 7.032 -50.154 -20.564 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 6.294 -48.873 -20.237 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 14.943 -37.330 -15.782 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 15.083 -37.921 -16.521 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 15.111 -36.457 -16.138 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 12.719 -41.984 -15.990 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 12.799 -41.221 -15.418 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 12.118 -41.705 -16.681 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 4.467 -39.528 -23.175 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 4.137 -39.898 -23.994 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 5.055 -40.198 -22.829 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 5.834 -36.100 -20.494 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 5.739 -36.678 -21.251 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 6.563 -36.471 -19.998 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 11.143 -35.256 -18.808 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 10.902 -34.594 -18.160 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 10.945 -36.090 -18.383 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 3.457 -40.458 -25.586 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 3.165 -39.690 -26.077 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 2.783 -41.118 -25.749 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 8.477 -35.075 -15.329 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 8.564 -34.249 -14.854 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 7.613 -35.405 -15.080 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 2.545 -32.514 -23.742 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 2.697 -32.862 -22.863 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 1.694 -32.870 -23.997 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 14.650 -43.156 -13.725 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 14.243 -42.675 -14.445 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 14.691 -44.061 -14.032 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 9.081 -48.580 -16.358 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 9.501 -48.995 -15.605 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 8.148 -48.758 -16.241 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 12.407 -44.824 -15.504 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 11.893 -44.950 -14.707 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 12.252 -43.912 -15.749 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 4.506 -43.115 -23.725 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 3.613 -43.456 -23.784 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 4.957 -43.492 -24.481 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 9.144 -42.524 -13.420 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.581 -43.228 -13.100 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 9.970 -42.644 -12.953 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 -1.133 -45.900 -22.920 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 -0.502 -45.929 -22.200 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 -0.683 -46.325 -23.650 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 10.310 -41.615 -17.423 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 10.634 -42.246 -18.066 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 9.870 -42.150 -16.762 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 7.088 -45.688 -22.639 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 6.177 -45.631 -22.350 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 7.593 -45.748 -21.828 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 1.916 -44.059 -23.812 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 1.027 -43.959 -24.152 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 2.212 -44.901 -24.158 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 11.493 -46.453 -19.375 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 10.816 -46.322 -18.711 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 11.007 -46.608 -20.185 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 14.780 -30.781 -13.098 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 14.980 -30.357 -13.933 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 15.436 -30.438 -12.491 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 8.408 -42.900 -20.752 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 8.972 -43.447 -21.299 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 8.260 -43.422 -19.963 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 3.410 -46.764 -24.334 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 3.093 -47.666 -24.369 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 4.191 -46.762 -24.886 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 9.098 -38.115 -15.416 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 8.752 -38.496 -14.610 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 8.898 -37.181 -15.345 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 11.348 -35.653 -15.466 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 10.447 -35.470 -15.734 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 11.382 -35.394 -14.545 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 17.043 -37.608 -14.262 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 16.191 -37.370 -14.629 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 17.633 -37.625 -15.015 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 5.078 -35.486 -23.479 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 5.605 -34.713 -23.680 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 4.198 -35.261 -23.781 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 6.505 -37.823 -23.903 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 6.264 -36.898 -23.861 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 5.765 -38.282 -23.507 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 7.020 -33.674 -17.588 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 7.383 -32.819 -17.821 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 7.552 -33.966 -16.847 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 5.189 -32.801 -24.358 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 4.239 -32.696 -24.306 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 5.540 -31.981 -24.013 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 10.564 -37.575 -17.887 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 10.138 -37.802 -17.061 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 11.145 -38.313 -18.070 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 13.223 -33.023 -15.418 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 12.621 -33.578 -15.913 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 13.504 -32.356 -16.044 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 2.248 -38.711 -27.400 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 1.562 -38.359 -26.833 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 2.771 -37.948 -27.646 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 10.080 -46.049 -17.121 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 10.778 -45.975 -16.471 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 9.699 -46.913 -16.966 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 8.600 -43.683 -16.004 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 8.719 -43.109 -15.247 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 9.255 -44.371 -15.889 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 8.948 -47.588 -24.251 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 8.601 -46.970 -23.606 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 9.606 -47.087 -24.732 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 14.804 -45.776 -15.169 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 13.888 -45.513 -15.257 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 15.140 -45.779 -16.066 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 1.988 -48.651 -20.714 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 1.759 -48.592 -21.641 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 1.545 -49.443 -20.407 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 0.918 -34.711 -24.553 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 0.086 -34.238 -24.526 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 1.464 -34.201 -25.152 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 11.381 -34.799 -12.874 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 11.030 -35.655 -12.631 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 12.107 -34.656 -12.267 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 12.504 -38.402 -15.453 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 13.249 -37.814 -15.573 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 11.747 -37.820 -15.390 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 7.227 -40.915 -16.660 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 7.978 -41.071 -17.233 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 6.888 -40.063 -16.936 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 10.431 -45.449 -13.829 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 9.483 -45.417 -13.697 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 10.743 -46.074 -13.175 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 -1.210 -31.009 -24.007 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -1.857 -31.471 -24.540 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 -0.855 -31.681 -23.424 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 -0.340 -32.928 -22.202 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 -0.674 -33.809 -22.030 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 -0.118 -32.583 -21.338 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 15.223 -36.762 -11.662 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 14.357 -36.867 -11.268 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 15.599 -36.003 -11.215 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 15.561 -39.961 -14.122 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 16.144 -40.695 -13.931 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 16.125 -39.189 -14.076 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 17.058 -42.058 -13.438 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 16.195 -42.437 -13.603 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 17.662 -42.797 -13.512 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 15.056 -43.030 -17.087 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 14.213 -42.762 -16.721 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.499 -42.208 -17.298 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 -0.824 -47.013 -25.595 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 -1.749 -46.804 -25.725 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 -0.370 -46.529 -26.285 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 10.942 -31.441 -14.645 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 11.619 -32.073 -14.885 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 11.264 -31.039 -13.837 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 15.860 -48.851 -15.565 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 15.047 -48.526 -15.953 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 16.093 -49.611 -16.098 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 8.866 -31.381 -18.595 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 8.409 -30.852 -19.249 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 9.029 -30.778 -17.870 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 11.193 -32.503 -17.650 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 10.289 -32.338 -17.916 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 11.622 -31.650 -17.716 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 13.798 -30.933 -17.355 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 13.616 -30.017 -17.566 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 13.974 -31.343 -18.202 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 3.244 -33.536 -21.235 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 3.025 -34.452 -21.066 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 4.068 -33.396 -20.769 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 5.781 -33.066 -20.387 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 5.994 -33.954 -20.674 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 5.846 -33.100 -19.432 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 9.290 -47.402 -21.242 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 8.615 -48.031 -20.987 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 9.854 -47.886 -21.845 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 1.616 -48.768 -23.420 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 0.839 -49.002 -23.928 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 2.147 -49.565 -23.412 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 6.196 -48.841 -23.607 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 7.070 -48.453 -23.637 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 6.060 -49.056 -22.684 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 15.145 -33.498 -13.492 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 14.363 -33.684 -14.012 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 15.073 -32.569 -13.275 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 16.581 -34.880 -10.327 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 16.654 -33.941 -10.157 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 17.486 -35.185 -10.384 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 15.375 -34.622 -7.778 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 15.002 -35.448 -7.468 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 15.652 -34.805 -8.675 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 12.767 -36.646 -9.957 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 13.120 -37.026 -9.153 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 11.818 -36.739 -9.871 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 17.271 -32.166 -9.756 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 18.014 -31.580 -9.896 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 16.576 -31.598 -9.423 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 13.500 -33.854 -11.138 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 13.783 -34.648 -10.685 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 14.240 -33.621 -11.699 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 9.807 -36.897 -11.545 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 9.539 -36.717 -10.644 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 9.601 -37.823 -11.676 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 16.065 -39.374 -11.267 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 15.792 -39.799 -12.080 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 16.105 -38.443 -11.484 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 -0.340 -32.928 -3.346 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 -0.674 -33.809 -3.174 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 -0.118 -32.583 -2.482 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 16.524 -38.505 -7.292 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 17.374 -38.084 -7.164 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 16.529 -39.245 -6.684 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 17.186 -40.551 -9.077 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 16.665 -40.194 -9.796 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 17.153 -39.876 -8.399 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 17.339 -49.050 7.123 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 17.689 -49.704 6.517 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 17.486 -48.213 6.683 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 15.927 -32.249 -6.786 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 15.733 -32.997 -7.351 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 15.888 -31.491 -7.370 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 16.680 -46.323 18.936 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 16.729 -45.713 19.672 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 17.106 -45.862 18.213 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 17.072 -44.845 21.172 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 16.383 -44.187 21.077 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 17.087 -45.042 22.109 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 15.391 -49.246 10.152 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 14.492 -49.107 10.447 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 15.643 -48.415 9.750 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 14.650 -43.156 23.987 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 14.243 -42.675 23.267 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 14.691 -44.061 23.680 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 9.144 -42.524 24.292 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 8.581 -43.228 24.612 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 9.970 -42.644 24.759 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 17.043 -37.608 23.450 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 16.191 -37.370 23.083 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 17.633 -37.625 22.697 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 14.804 -45.776 22.543 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 13.888 -45.513 22.455 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 15.140 -45.779 21.646 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 4.804 -33.179 26.109 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 5.572 -33.638 26.450 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 4.783 -33.405 25.179 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 11.643 -43.100 26.080 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 11.835 -44.031 25.969 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 12.500 -42.675 26.070 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 10.431 -45.449 23.883 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 9.483 -45.417 24.015 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 10.743 -46.074 24.537 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 12.065 -46.815 25.888 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 11.968 -47.767 25.882 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 11.743 -46.546 26.749 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 6.673 -49.604 23.915 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 7.385 -50.244 23.901 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 6.572 -49.337 23.001 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 7.026 -47.921 25.969 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 6.895 -48.397 25.148 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 6.427 -47.177 25.913 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 17.209 -32.119 18.490 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 17.187 -31.934 19.429 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 17.899 -31.550 18.149 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 15.223 -36.762 26.050 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 14.357 -36.867 26.444 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 15.599 -36.003 26.497 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 15.561 -39.961 23.590 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 16.144 -40.695 23.781 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 16.125 -39.189 23.636 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 17.058 -42.058 24.274 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 16.195 -42.437 24.109 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 17.662 -42.797 24.200 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 -0.860 -48.275 20.461 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 -1.525 -48.521 21.104 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 -1.303 -47.653 19.884 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 15.860 -48.851 22.147 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 15.047 -48.526 21.759 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 16.093 -49.611 21.614 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 16.159 -48.156 14.916 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 16.771 -48.670 14.389 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 16.542 -47.278 14.939 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 3.547 -48.903 25.345 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 4.446 -49.177 25.160 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 3.161 -49.646 25.809 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 11.969 -49.571 25.527 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 12.045 -49.997 26.381 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 12.862 -49.557 25.185 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -0.470 -42.632 32.046 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 -0.918 -41.786 32.028 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -1.031 -43.212 31.531 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 0.221 -37.200 30.462 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -0.051 -36.971 29.573 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 0.266 -36.362 30.922 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 9.470 -41.910 27.597 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 10.171 -41.888 28.248 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 9.772 -42.538 26.941 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 11.693 -40.996 29.195 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 12.272 -40.846 29.942 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 12.107 -40.525 28.472 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 3.457 -40.458 30.982 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 3.165 -39.690 30.491 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 2.783 -41.118 30.819 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 16.581 -34.880 27.385 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 16.654 -33.941 27.555 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 17.486 -35.185 27.328 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 11.993 -32.149 28.048 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 12.368 -32.893 27.577 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 11.997 -32.419 28.966 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 13.170 -39.963 26.825 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 13.212 -40.186 25.895 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 14.019 -39.565 27.015 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 8.743 -46.087 27.495 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 8.489 -46.068 28.418 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 8.486 -46.959 27.194 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 5.625 -45.642 26.596 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 5.194 -46.087 27.326 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 4.907 -45.270 26.084 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 0.142 -45.154 29.072 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 0.616 -44.563 28.487 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 -0.576 -44.623 29.419 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 5.569 -44.059 30.412 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 6.501 -43.930 30.590 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 5.354 -43.389 29.763 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 4.243 -42.864 27.979 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 3.701 -43.244 27.288 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 5.077 -42.670 27.550 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 7.578 -38.299 29.915 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.834 -38.806 29.592 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 7.444 -38.250 30.861 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 9.704 -36.840 28.940 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 9.409 -36.014 29.322 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 9.001 -37.460 29.136 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 15.375 -34.622 29.934 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 15.002 -35.448 30.244 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 15.652 -34.805 29.037 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 12.767 -36.646 27.755 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 13.120 -37.026 28.559 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 11.818 -36.739 27.841 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 17.271 -32.166 27.956 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 18.014 -31.580 27.816 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 16.576 -31.598 28.289 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 13.633 -37.973 29.981 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 13.356 -38.701 30.537 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 14.560 -37.854 30.187 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 6.858 -35.534 26.202 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 7.097 -36.282 25.654 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 6.589 -35.922 27.034 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 5.795 -35.964 28.658 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 5.942 -36.484 29.448 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 5.792 -35.057 28.964 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 2.248 -38.711 29.168 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 1.562 -38.359 29.735 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 2.771 -37.948 28.922 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 8.533 -34.266 29.407 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 7.716 -33.769 29.460 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 9.062 -33.791 28.767 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 5.871 -33.223 29.389 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 6.032 -32.423 28.888 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 5.674 -32.916 30.274 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 4.605 -46.525 29.005 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 4.522 -45.636 29.351 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 5.495 -46.790 29.236 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 2.864 -36.097 28.065 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 3.456 -35.398 28.341 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 3.323 -36.530 27.346 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 8.896 -33.671 26.340 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 8.252 -34.302 26.662 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 9.658 -34.202 26.108 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 13.500 -33.854 26.574 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 13.783 -34.648 27.027 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.240 -33.621 26.013 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 5.604 -39.972 28.737 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 5.145 -40.456 29.423 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 5.859 -40.640 28.101 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 6.675 -41.729 27.000 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 6.495 -41.883 26.072 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 7.626 -41.621 27.044 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 16.065 -39.374 26.445 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 15.792 -39.799 25.632 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 16.105 -38.443 26.228 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 6.573 -31.038 28.001 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 7.506 -30.880 28.145 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 6.309 -30.363 27.376 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 -0.824 -47.013 30.973 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 -1.749 -46.804 30.843 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 -0.370 -46.529 30.283 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 0.453 -48.970 28.951 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 0.892 -48.359 28.360 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 -0.181 -48.432 29.425 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 0.354 -33.022 29.849 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 -0.331 -33.060 29.181 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 0.357 -32.109 30.137 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 2.314 -47.054 27.394 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 2.805 -47.684 26.866 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 2.937 -46.758 28.057 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 7.340 -46.761 29.851 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 7.518 -47.407 30.534 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.286 -45.927 30.318 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 9.218 -31.812 28.246 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 10.084 -31.446 28.068 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 8.971 -32.252 27.433 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 2.172 -32.102 26.874 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 1.904 -31.815 27.747 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 2.943 -32.648 27.026 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 9.628 -21.501 -20.043 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 9.590 -22.147 -19.338 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 9.305 -21.967 -20.814 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 1.996 -21.886 -18.450 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 2.038 -22.512 -17.726 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 2.699 -21.263 -18.268 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 2.920 -17.436 -19.915 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 2.550 -18.238 -20.284 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 3.861 -17.605 -19.868 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 8.017 -19.068 -19.637 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 8.321 -19.754 -20.231 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 8.739 -18.950 -19.019 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 11.158 -24.674 -19.309 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 11.301 -25.621 -19.289 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 11.052 -24.467 -20.238 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 4.313 -26.573 -22.037 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 4.356 -25.713 -22.455 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 3.855 -27.125 -22.670 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 0.933 -24.176 -21.275 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 1.587 -24.726 -20.843 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 0.957 -24.450 -22.191 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 6.089 -22.626 -22.059 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 6.705 -23.152 -21.550 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 5.503 -23.266 -22.463 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 17.072 -25.989 -16.540 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 16.383 -25.331 -16.635 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 17.087 -26.186 -15.603 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 3.123 -27.655 -17.963 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 2.904 -27.125 -18.729 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 2.455 -27.428 -17.315 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 2.717 -25.763 -20.010 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 3.330 -25.130 -19.637 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 3.229 -26.235 -20.667 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 4.100 -18.015 -16.888 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 4.094 -17.136 -17.266 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 3.246 -18.098 -16.463 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 13.846 -16.722 -19.393 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 12.904 -16.664 -19.232 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 14.122 -15.816 -19.530 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 14.146 -28.436 -17.976 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 13.410 -27.825 -18.014 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 14.830 -28.021 -18.502 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 7.149 -30.349 -20.510 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 7.032 -31.298 -20.564 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 6.294 -30.017 -20.237 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 14.943 -18.474 -15.782 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 15.083 -19.065 -16.521 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 15.111 -17.601 -16.138 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 12.719 -23.128 -15.990 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 12.799 -22.365 -15.418 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 12.118 -22.849 -16.681 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 5.834 -17.244 -20.494 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 5.739 -17.822 -21.251 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 6.563 -17.615 -19.998 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 4.834 -21.903 -19.542 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 5.399 -21.782 -20.305 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 5.153 -21.266 -18.903 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 11.143 -16.400 -18.808 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 10.902 -15.738 -18.160 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 10.945 -17.234 -18.383 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 -0.450 -19.239 -16.771 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 -0.951 -19.267 -17.586 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 -0.444 -20.145 -16.461 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 17.498 -15.793 -14.205 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 17.449 -16.748 -14.242 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 16.672 -15.525 -13.803 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 14.650 -24.300 -13.725 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 14.243 -23.819 -14.445 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 14.691 -25.205 -14.032 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 1.799 -17.916 -15.728 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 2.016 -18.277 -14.868 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 0.944 -18.290 -15.938 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 4.418 -29.446 -19.732 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 3.557 -29.533 -20.140 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 4.396 -28.590 -19.305 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 12.407 -25.968 -15.504 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 11.893 -26.094 -14.707 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 12.252 -25.056 -15.749 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 11.046 -24.397 -22.094 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 10.851 -23.792 -22.809 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 11.228 -25.231 -22.529 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 -1.133 -27.044 -22.920 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 -0.502 -27.073 -22.200 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 -0.683 -27.469 -23.650 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 7.088 -26.832 -22.639 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 6.177 -26.775 -22.350 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 7.593 -26.892 -21.828 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 11.493 -27.597 -19.375 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 10.816 -27.466 -18.711 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 11.007 -27.752 -20.185 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 14.780 -11.925 -13.098 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 14.980 -11.501 -13.933 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 15.436 -11.582 -12.491 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 8.408 -24.044 -20.752 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 8.972 -24.591 -21.299 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 8.260 -24.566 -19.963 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 14.728 -20.310 -17.867 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 15.370 -19.853 -18.410 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 13.898 -20.197 -18.329 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 2.703 -20.148 -20.884 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 3.448 -20.150 -21.485 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 2.781 -20.972 -20.402 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 17.043 -18.752 -14.262 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 16.191 -18.514 -14.629 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 17.633 -18.769 -15.015 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 12.535 -20.958 -19.612 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 11.607 -21.190 -19.639 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 12.986 -21.735 -19.942 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 7.020 -14.818 -17.588 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 7.383 -13.963 -17.821 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 7.552 -15.110 -16.847 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 10.564 -18.719 -17.887 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 10.138 -18.946 -17.061 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 11.145 -19.457 -18.070 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 13.223 -14.167 -15.418 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 12.621 -14.722 -15.913 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 13.504 -13.500 -16.044 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 0.996 -15.129 -17.576 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 1.213 -16.061 -17.607 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 1.243 -14.855 -16.692 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 14.804 -26.920 -15.169 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 13.888 -26.657 -15.257 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 15.140 -26.923 -16.066 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 1.988 -29.795 -20.714 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 1.759 -29.736 -21.641 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 1.545 -30.587 -20.407 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 0.207 -13.242 -13.223 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 0.747 -13.459 -12.464 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 -0.274 -14.048 -13.413 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 0.114 -19.432 -12.269 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 0.258 -20.334 -12.555 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 -0.659 -19.146 -12.757 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 12.504 -19.546 -15.453 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 13.249 -18.958 -15.573 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 11.747 -18.964 -15.390 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 16.772 -13.696 -16.300 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 16.285 -14.431 -16.671 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 17.321 -14.089 -15.622 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 15.164 -15.933 -17.069 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 14.516 -15.608 -16.444 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 14.646 -16.373 -17.744 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 -0.260 -20.997 -19.751 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 -0.076 -21.079 -20.686 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 0.589 -21.121 -19.327 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 15.561 -21.105 -14.122 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 16.144 -21.839 -13.931 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 16.125 -20.333 -14.076 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 17.058 -23.202 -13.438 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 16.195 -23.581 -13.603 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 17.662 -23.941 -13.512 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 15.056 -24.174 -17.087 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 14.213 -23.906 -16.721 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 15.499 -23.352 -17.298 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 17.339 -30.194 -11.733 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 17.689 -30.848 -12.339 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 17.486 -29.357 -12.173 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 0.559 -27.414 -20.719 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 1.004 -28.206 -20.417 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 1.025 -26.698 -20.288 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 -1.137 -24.415 -19.650 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 -0.645 -24.636 -20.440 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 -0.775 -23.574 -19.369 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 16.859 -28.085 -13.384 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 15.942 -27.814 -13.420 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 16.982 -28.620 -14.168 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 4.286 -15.269 -16.848 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 3.861 -14.460 -17.131 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 5.191 -15.184 -17.150 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 15.860 -29.995 -15.565 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 15.047 -29.670 -15.953 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 16.093 -30.755 -16.098 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 1.688 -12.013 -16.801 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 0.968 -11.573 -17.252 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 1.322 -12.264 -15.952 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 4.155 -12.413 -17.771 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 3.290 -12.341 -17.367 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 4.100 -11.866 -18.555 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 8.866 -12.525 -18.595 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 8.409 -11.996 -19.249 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 9.029 -11.922 -17.870 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 11.193 -13.647 -17.650 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 10.289 -13.482 -17.916 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 11.622 -12.794 -17.716 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 13.798 -12.077 -17.355 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 13.616 -11.161 -17.566 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 13.974 -12.487 -18.202 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 5.781 -14.210 -20.387 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 5.994 -15.098 -20.674 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 5.846 -14.244 -19.432 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 9.290 -28.546 -21.242 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 8.615 -29.175 -20.987 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 9.854 -29.030 -21.845 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 1.616 -29.912 -23.420 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 0.839 -30.146 -23.928 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 2.147 -30.709 -23.412 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 6.196 -29.985 -23.607 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 7.070 -29.597 -23.637 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 6.060 -30.200 -22.684 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 15.145 -14.642 -13.492 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 14.363 -14.828 -14.012 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 15.073 -13.713 -13.275 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 10.695 -20.756 -4.606 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 10.784 -19.812 -4.738 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 10.056 -21.031 -5.264 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 9.628 -21.501 -1.187 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 9.590 -22.147 -0.482 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 9.305 -21.967 -1.958 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 1.996 -21.886 0.406 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 2.038 -22.512 1.130 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 2.699 -21.263 0.588 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 13.334 -18.562 -2.885 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 12.893 -19.282 -2.435 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 13.321 -17.841 -2.255 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 2.920 -17.436 -1.059 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 2.550 -18.238 -1.428 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 3.861 -17.605 -1.012 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 -0.470 -23.776 -5.666 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 -0.918 -22.930 -5.684 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 -1.031 -24.356 -6.181 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 0.240 -21.614 -3.540 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 0.454 -22.384 -3.013 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 0.978 -21.525 -4.143 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 8.017 -19.068 -0.781 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 8.321 -19.754 -1.375 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 8.739 -18.950 -0.163 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 4.313 -26.573 -3.181 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 4.356 -25.713 -3.599 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 3.855 -27.125 -3.814 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 0.933 -24.176 -2.419 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 1.587 -24.726 -1.987 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 0.957 -24.450 -3.335 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 6.089 -22.626 -3.203 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 6.705 -23.152 -2.694 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 5.503 -23.266 -3.607 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 10.492 -18.155 -5.563 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 10.196 -18.477 -6.414 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 10.168 -17.255 -5.521 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 2.717 -25.763 -1.154 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 3.330 -25.130 -0.781 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 3.229 -26.235 -1.811 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 4.100 -18.015 1.968 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 4.094 -17.136 1.590 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 3.246 -18.098 2.393 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 13.846 -16.722 -0.537 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 12.904 -16.664 -0.376 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 14.122 -15.816 -0.674 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 12.098 -14.941 -3.912 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 12.523 -15.648 -4.397 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 12.415 -14.140 -4.329 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 13.257 -17.040 -5.403 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 13.000 -17.730 -6.015 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 13.328 -17.483 -4.558 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 9.416 -21.512 -7.154 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 8.704 -20.977 -7.505 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 10.107 -21.456 -7.814 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 12.822 -21.302 -6.202 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 12.090 -21.074 -5.629 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 13.269 -22.016 -5.747 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 4.467 -20.672 -4.319 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 4.137 -21.042 -5.138 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 5.055 -21.342 -3.973 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 5.834 -17.244 -1.638 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 5.739 -17.822 -2.395 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 6.563 -17.615 -1.142 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 4.834 -21.903 -0.686 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 5.399 -21.782 -1.449 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 5.153 -21.266 -0.047 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 11.143 -16.400 0.048 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 10.902 -15.738 0.696 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 10.945 -17.234 0.473 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 3.953 -15.432 4.795 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 3.961 -15.568 3.847 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 3.037 -15.550 5.047 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 15.391 -30.390 -8.704 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 14.492 -30.251 -8.409 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 15.643 -29.559 -9.106 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 3.457 -21.602 -6.730 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 3.165 -20.834 -7.221 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 2.783 -22.262 -6.893 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 16.581 -16.024 -10.327 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 16.654 -15.085 -10.157 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 17.486 -16.329 -10.384 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 -0.450 -19.239 2.085 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 -0.951 -19.267 1.270 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 -0.444 -20.145 2.395 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 -0.699 -16.459 -1.031 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 0.247 -16.603 -1.050 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -0.812 -15.675 -0.494 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 17.498 -15.793 4.651 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 17.449 -16.748 4.614 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 16.672 -15.525 5.053 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 1.799 -17.916 3.128 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 2.016 -18.277 3.988 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 0.944 -18.290 2.918 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 4.509 -24.480 0.219 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 3.867 -24.521 0.928 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 4.546 -23.554 -0.019 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 4.506 -24.259 -4.869 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 3.613 -24.600 -4.928 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 4.957 -24.636 -5.625 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 11.046 -24.397 -3.238 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 10.851 -23.792 -3.953 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 11.228 -25.231 -3.673 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 -1.133 -27.044 -4.064 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 -0.502 -27.073 -3.344 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 -0.683 -27.469 -4.794 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 0.142 -26.298 -8.640 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 0.616 -25.707 -9.225 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 -0.576 -25.767 -8.293 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 1.916 -25.203 -4.956 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 1.027 -25.103 -5.296 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 2.212 -26.045 -5.302 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 4.243 -24.008 -9.733 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 3.701 -24.388 -10.424 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 5.077 -23.814 -10.162 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 8.408 -24.044 -1.896 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 8.972 -24.591 -2.443 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 8.260 -24.566 -1.107 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 7.578 -19.443 -7.797 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 6.834 -19.950 -8.120 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 7.444 -19.394 -6.851 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 2.703 -20.148 -2.028 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 3.448 -20.150 -2.629 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 2.781 -20.972 -1.546 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 -0.289 -21.687 3.287 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 -0.066 -22.105 4.119 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 -0.891 -22.300 2.865 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 11.348 -16.797 3.390 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 10.447 -16.614 3.122 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 11.382 -16.538 4.311 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 17.079 -24.552 -8.243 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 16.525 -24.948 -8.915 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 17.180 -23.642 -8.520 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 17.043 -18.752 4.594 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 16.191 -18.514 4.227 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 17.633 -18.769 3.841 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 15.375 -15.766 -7.778 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 15.002 -16.592 -7.468 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 15.652 -15.949 -8.675 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 0.833 -21.768 -10.036 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 1.449 -21.141 -9.657 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 -0.029 -21.452 -9.765 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 6.505 -18.967 -5.047 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 6.264 -18.042 -5.005 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 5.765 -19.426 -4.651 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 7.020 -14.818 1.268 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 7.383 -13.963 1.035 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 7.552 -15.110 2.009 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 13.223 -14.167 3.438 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 12.621 -14.722 2.943 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 13.504 -13.500 2.812 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 17.271 -13.310 -9.756 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 18.014 -12.724 -9.896 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 16.576 -12.742 -9.423 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 13.406 -23.169 -2.217 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 12.609 -23.584 -2.546 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 13.851 -23.860 -1.726 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 1.180 -24.577 -10.531 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 1.135 -23.638 -10.352 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 0.292 -24.813 -10.801 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 14.493 -13.913 -0.595 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 14.337 -13.235 -1.252 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 15.425 -13.841 -0.392 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 4.804 -14.323 7.253 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 5.572 -14.782 7.594 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 4.783 -14.549 6.323 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 11.381 -15.943 5.982 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 11.030 -16.799 6.225 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 12.107 -15.800 6.589 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 0.114 -19.432 6.587 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 0.258 -20.334 6.301 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 -0.659 -19.146 6.099 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 16.065 -20.518 -11.267 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 15.792 -20.943 -12.080 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 16.105 -19.587 -11.484 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 -1.210 -12.153 -5.151 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 -1.857 -12.615 -5.684 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 -0.855 -12.825 -4.568 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 -0.340 -14.072 -3.346 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 -0.674 -14.953 -3.174 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 -0.118 -13.727 -2.482 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 16.772 -13.696 2.556 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 16.285 -14.431 2.185 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 17.321 -14.089 3.234 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 15.223 -17.906 7.194 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 14.357 -18.011 7.588 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 15.599 -17.147 7.641 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 16.524 -19.649 -7.292 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 17.374 -19.228 -7.164 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 16.529 -20.389 -6.684 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 16.918 -21.596 -5.468 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 16.192 -22.075 -5.070 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 17.499 -21.390 -4.736 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 16.677 -18.811 -0.520 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 17.511 -19.189 -0.801 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 16.789 -17.868 -0.639 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 15.164 -15.933 1.787 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 14.516 -15.608 2.412 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 14.646 -16.373 1.112 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 17.186 -21.695 -9.077 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 16.665 -21.338 -9.796 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 17.153 -21.020 -8.399 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 15.535 -24.455 -10.526 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 15.632 -23.788 -11.206 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 15.395 -25.271 -11.008 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 14.705 -23.075 -4.905 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 14.555 -24.020 -4.925 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 14.351 -22.794 -4.061 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 -0.260 -20.997 -0.895 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 -0.076 -21.079 -1.830 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 0.589 -21.121 -0.471 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 14.783 -27.047 -11.409 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 15.393 -27.419 -10.772 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 13.946 -27.469 -11.213 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 14.415 -25.492 -6.443 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 14.695 -26.399 -6.318 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 15.174 -25.058 -6.832 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 0.559 -27.414 -1.863 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 1.004 -28.206 -1.561 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 1.025 -26.698 -1.432 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 -1.137 -24.415 -0.794 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 -0.645 -24.636 -1.584 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 -0.775 -23.574 -0.513 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 16.895 -28.162 -9.866 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 17.308 -28.883 -10.342 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 17.577 -27.492 -9.808 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 13.947 -13.173 -4.794 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 14.600 -13.520 -5.402 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 14.458 -12.684 -4.148 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 1.332 -16.244 5.749 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 0.511 -16.069 5.289 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 1.080 -16.317 6.670 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 4.286 -15.269 2.008 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 3.861 -14.460 1.725 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 5.191 -15.184 1.706 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 8.597 -13.870 4.967 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 8.782 -14.204 5.845 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 9.444 -13.561 4.645 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 1.688 -12.013 2.055 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 0.968 -11.573 1.604 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 1.322 -12.264 2.904 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 4.155 -12.413 1.085 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 3.290 -12.341 1.489 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 4.100 -11.866 0.301 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 8.866 -12.525 0.261 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 8.409 -11.996 -0.393 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 9.029 -11.922 0.986 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 11.193 -13.647 1.206 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 10.289 -13.482 0.940 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 11.622 -12.794 1.140 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 1.103 -13.390 -1.034 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 1.084 -13.815 -0.177 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 1.908 -13.708 -1.443 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 3.244 -14.680 -2.379 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 3.025 -15.596 -2.210 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 4.068 -14.540 -1.913 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 16.159 -29.300 -3.940 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 16.771 -29.814 -4.467 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 16.542 -28.422 -3.917 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 15.927 -13.393 -6.786 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 15.733 -14.141 -7.351 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 15.888 -12.635 -7.370 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 15.145 -14.642 5.364 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 14.363 -14.828 4.844 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 15.073 -13.713 5.581 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 10.695 -20.756 14.250 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 10.784 -19.812 14.118 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 10.056 -21.031 13.592 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 9.628 -21.501 17.669 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 9.590 -22.147 18.374 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 9.305 -21.967 16.898 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 13.334 -18.562 15.971 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 12.893 -19.282 16.421 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 13.321 -17.841 16.601 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 8.017 -19.068 18.075 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 8.321 -19.754 17.481 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 8.739 -18.950 18.693 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 16.680 -27.467 18.936 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 16.729 -26.857 19.672 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 17.106 -27.006 18.213 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 6.089 -22.626 15.653 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 6.705 -23.152 16.162 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 5.503 -23.266 15.249 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 17.072 -25.989 21.172 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 16.383 -25.331 21.077 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 17.087 -26.186 22.109 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 0.221 -18.344 11.606 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 -0.051 -18.115 10.717 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 0.266 -17.506 12.066 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 9.416 -21.512 11.702 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 8.704 -20.977 11.351 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 10.107 -21.456 11.042 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 16.785 -22.134 19.996 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 16.133 -21.439 20.085 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 17.250 -21.924 19.186 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 12.822 -21.302 12.654 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 12.090 -21.074 13.227 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 13.269 -22.016 13.109 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 12.719 -23.128 21.722 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 12.799 -22.365 22.294 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 12.118 -22.849 21.031 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 5.714 -17.504 22.887 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 5.402 -16.722 23.343 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 5.064 -17.657 22.201 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 11.693 -22.140 10.339 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 12.272 -21.990 11.086 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 12.107 -21.669 9.616 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 9.419 -15.403 13.774 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 9.893 -15.108 14.552 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 8.856 -14.665 13.541 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 3.457 -21.602 12.126 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 3.165 -20.834 11.635 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 2.783 -22.262 11.963 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 8.477 -16.219 22.383 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 8.564 -15.393 22.858 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 7.613 -16.549 22.632 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 14.650 -24.300 23.987 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 14.243 -23.819 23.267 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 14.691 -25.205 23.680 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 12.407 -25.968 22.208 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 11.893 -26.094 23.005 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 12.252 -25.056 21.963 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 4.506 -24.259 13.987 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 3.613 -24.600 13.928 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 4.957 -24.636 13.231 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 10.042 -23.843 12.804 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 9.633 -23.028 12.512 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 10.762 -23.983 12.189 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 9.144 -23.668 24.292 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 8.581 -24.372 24.612 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 9.970 -23.788 24.759 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 10.310 -22.759 20.289 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 10.634 -23.390 19.646 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 9.870 -23.294 20.950 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 7.578 -19.443 11.059 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 6.834 -19.950 10.736 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 7.444 -19.394 12.005 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 14.728 -20.310 19.845 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 15.370 -19.853 19.302 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 13.898 -20.197 19.383 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 9.098 -19.259 22.296 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 8.752 -19.640 23.102 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 8.898 -18.325 22.367 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 12.194 -24.762 10.919 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 13.086 -24.899 11.238 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 12.251 -23.971 10.382 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 9.704 -17.984 10.084 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 9.409 -17.158 10.466 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 9.001 -18.604 10.280 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 12.535 -20.958 18.100 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 11.607 -21.190 18.073 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 12.986 -21.735 17.770 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 0.833 -21.768 8.820 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 1.449 -21.141 9.199 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 -0.029 -21.452 9.091 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 6.505 -18.967 13.809 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 6.264 -18.042 13.851 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 5.765 -19.426 14.205 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 7.020 -14.818 20.124 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 7.383 -13.963 19.891 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 7.552 -15.110 20.865 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 5.189 -13.945 13.354 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 4.239 -13.840 13.406 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 5.540 -13.125 13.699 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 10.564 -18.719 19.825 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 10.138 -18.946 20.651 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 11.145 -19.457 19.642 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 12.767 -17.790 8.899 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 13.120 -18.170 9.703 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 11.818 -17.883 8.985 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 13.633 -19.117 11.125 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 13.356 -19.845 11.681 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 14.560 -18.998 11.331 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 6.858 -16.678 7.346 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 7.097 -17.426 6.798 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 6.589 -17.066 8.178 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 5.795 -17.108 9.802 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 5.942 -17.628 10.592 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 5.792 -16.201 10.108 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 2.248 -19.855 10.312 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 1.562 -19.503 10.879 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 2.771 -19.092 10.066 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 8.533 -15.410 10.551 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 7.716 -14.913 10.604 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 9.062 -14.935 9.911 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 5.871 -14.367 10.533 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 6.032 -13.567 10.032 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 5.674 -14.060 11.418 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 14.804 -26.920 22.543 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 13.888 -26.657 22.455 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 15.140 -26.923 21.646 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 2.864 -17.241 9.209 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 3.456 -16.542 9.485 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 3.323 -17.674 8.490 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 0.918 -15.855 13.159 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 0.086 -15.382 13.186 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 1.464 -15.345 12.560 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 8.896 -14.815 7.484 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 8.252 -15.446 7.806 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 9.658 -15.346 7.252 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 13.500 -14.998 7.718 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 13.783 -15.792 8.171 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 14.240 -14.765 7.157 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 0.114 -19.432 25.443 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 0.258 -20.334 25.157 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 -0.659 -19.146 24.955 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 9.807 -18.041 7.311 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 9.539 -17.861 8.212 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 9.601 -18.967 7.180 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 12.504 -19.546 22.259 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 13.249 -18.958 22.139 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 11.747 -18.964 22.322 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 9.913 -20.752 25.515 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 10.866 -20.668 25.487 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 9.753 -21.463 26.134 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 11.643 -24.244 26.080 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 11.835 -25.175 25.969 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 12.500 -23.819 26.070 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 7.715 -25.720 24.807 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 7.479 -25.940 25.709 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 6.932 -25.927 24.298 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 10.431 -26.593 23.883 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 9.483 -26.561 24.015 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 10.743 -27.218 24.537 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 12.065 -27.959 25.888 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 11.968 -28.911 25.882 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 11.743 -27.690 26.749 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 7.026 -29.065 25.969 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 6.895 -29.541 25.148 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 6.427 -28.321 25.913 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 0.141 -17.546 8.628 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 1.055 -17.467 8.901 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 0.148 -18.233 7.961 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 -1.210 -12.153 13.705 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 -1.857 -12.615 13.172 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 -0.855 -12.825 14.288 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 16.524 -19.649 11.564 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 17.374 -19.228 11.692 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 16.529 -20.389 12.172 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 16.677 -18.811 18.336 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 17.511 -19.189 18.055 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 16.789 -17.868 18.217 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 15.056 -24.174 20.625 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 14.213 -23.906 20.991 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 15.499 -23.352 20.414 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 17.339 -30.194 25.979 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 17.689 -30.848 25.373 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 17.486 -29.357 25.539 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 16.859 -28.085 24.328 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 15.942 -27.814 24.292 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 16.982 -28.620 23.544 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 8.597 -13.870 23.823 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 8.782 -14.204 24.701 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 9.444 -13.561 23.501 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 10.942 -12.585 23.067 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 11.619 -13.217 22.827 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 11.264 -12.183 23.875 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 8.866 -12.525 19.117 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 8.409 -11.996 18.463 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 9.029 -11.922 19.842 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 0.354 -14.166 10.993 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 -0.331 -14.204 10.325 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 0.357 -13.253 11.281 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 3.547 -30.047 25.345 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 4.446 -30.321 25.160 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 3.161 -30.790 25.809 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 11.969 -30.715 25.527 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 12.045 -31.141 26.381 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 12.862 -30.701 25.185 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 -0.470 -23.776 32.046 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 -0.918 -22.930 32.028 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 -1.031 -24.356 31.531 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 0.221 -18.344 30.462 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 -0.051 -18.115 29.573 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 0.266 -17.506 30.922 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 9.470 -23.054 27.597 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 10.171 -23.032 28.248 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 9.772 -23.682 26.941 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 15.391 -30.390 29.008 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 14.492 -30.251 29.303 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 15.643 -29.559 28.606 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 3.457 -21.602 30.982 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 3.165 -20.834 30.491 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 2.783 -22.262 30.819 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 8.743 -27.231 27.495 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 8.489 -27.212 28.418 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 8.486 -28.103 27.194 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 5.625 -26.786 26.596 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 5.194 -27.231 27.326 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 4.907 -26.414 26.084 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 0.142 -26.298 29.072 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 0.616 -25.707 28.487 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 -0.576 -25.767 29.419 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 5.569 -25.203 30.412 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 6.501 -25.074 30.590 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 5.354 -24.533 29.763 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 4.243 -24.008 27.979 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 3.701 -24.388 27.288 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 5.077 -23.814 27.550 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 7.578 -19.443 29.915 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 6.834 -19.950 29.592 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 7.444 -19.394 30.861 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 0.833 -21.768 27.676 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 1.449 -21.141 28.055 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 -0.029 -21.452 27.947 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 6.858 -16.678 26.202 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 7.097 -17.426 25.654 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 6.589 -17.066 27.034 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 5.795 -17.108 28.658 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 5.942 -17.628 29.448 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 5.792 -16.201 28.964 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 2.248 -19.855 29.168 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 1.562 -19.503 29.735 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 2.771 -19.092 28.922 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 5.871 -14.367 29.389 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 6.032 -13.567 28.888 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 5.674 -14.060 30.274 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 4.605 -27.669 29.005 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 4.522 -26.780 29.351 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 5.495 -27.934 29.236 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 2.864 -17.241 28.065 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 3.456 -16.542 28.341 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 3.323 -17.674 27.346 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 1.180 -24.577 27.181 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 1.135 -23.638 27.360 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 0.292 -24.813 26.911 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 8.896 -14.815 26.340 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 8.252 -15.446 26.662 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 9.658 -15.346 26.108 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 4.455 -19.088 26.431 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 4.519 -19.882 26.962 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 5.108 -19.207 25.742 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 9.807 -18.041 26.167 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 9.539 -17.861 27.068 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 9.601 -18.967 26.036 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 5.604 -21.116 28.737 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 5.145 -21.600 29.423 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 5.859 -21.784 28.101 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 6.675 -22.873 27.000 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 6.495 -23.027 26.072 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 7.626 -22.765 27.044 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 6.573 -12.182 28.001 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 7.506 -12.024 28.145 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 6.309 -11.507 27.376 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 0.141 -17.546 27.484 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 1.055 -17.467 27.757 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 0.148 -18.233 26.817 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 14.783 -27.047 26.303 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 15.393 -27.419 26.940 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 13.946 -27.469 26.499 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 16.895 -28.162 27.846 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 17.308 -28.883 27.370 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 17.577 -27.492 27.904 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 -0.824 -28.157 30.973 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 -1.749 -27.948 30.843 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 -0.370 -27.673 30.283 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 0.453 -30.114 28.951 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 0.892 -29.503 28.360 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 -0.181 -29.576 29.425 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 0.354 -14.166 29.849 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 -0.331 -14.204 29.181 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 0.357 -13.253 30.137 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 2.314 -28.198 27.394 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 2.805 -28.828 26.866 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 2.937 -27.902 28.057 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 9.218 -12.956 28.246 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 10.084 -12.590 28.068 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 8.971 -13.396 27.433 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 2.172 -13.246 26.874 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 1.904 -12.959 27.747 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 2.943 -13.792 27.026 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 9.081 -10.868 -16.358 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 9.501 -11.283 -15.605 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 8.148 -11.046 -16.241 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 9.144 -4.812 -13.420 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 8.581 -5.516 -13.100 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 9.970 -4.932 -12.953 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 6.728 -3.314 -13.356 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 6.432 -3.480 -14.251 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 7.659 -3.534 -13.366 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 1.345 -8.078 -16.011 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 0.452 -7.739 -16.078 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 1.246 -8.933 -15.593 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 0.114 -0.576 -12.269 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 0.258 -1.478 -12.555 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 -0.659 -0.290 -12.757 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 0.946 -3.376 -12.849 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 1.354 -4.233 -12.970 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 0.686 -3.361 -11.928 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 4.893 -4.367 -15.475 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 4.275 -3.692 -15.194 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 5.237 -4.046 -16.308 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 9.913 -1.896 -12.197 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 10.866 -1.812 -12.225 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 9.753 -2.607 -11.578 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 5.233 -7.012 -14.392 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 5.383 -7.741 -14.995 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 5.235 -6.235 -14.951 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 5.645 -8.642 -16.900 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 6.181 -8.191 -17.552 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 4.793 -8.750 -17.322 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 11.643 -5.388 -11.632 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 11.835 -6.319 -11.743 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 12.500 -4.963 -11.642 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 3.711 -5.814 -12.481 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 2.944 -6.346 -12.691 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 4.390 -6.124 -13.080 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 6.451 -11.186 -16.468 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 6.353 -10.239 -16.574 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 5.708 -11.558 -16.944 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 7.715 -6.864 -12.905 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 7.479 -7.084 -12.003 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 6.932 -7.071 -13.414 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 10.431 -7.737 -13.829 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 9.483 -7.705 -13.697 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 10.743 -8.362 -13.175 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 12.065 -9.103 -11.824 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 11.968 -10.055 -11.830 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 11.743 -8.834 -10.963 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 -0.662 -6.870 -13.610 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 0.257 -6.992 -13.374 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 -1.112 -7.620 -13.221 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 1.574 -10.542 -13.903 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 1.208 -11.307 -13.460 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 2.487 -10.513 -13.616 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 11.969 -11.859 -12.185 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 12.045 -12.285 -11.331 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 12.862 -11.845 -12.527 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 10.445 5.399 -2.673 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 11.065 4.722 -2.946 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 10.237 5.181 -1.765 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 12.035 -7.586 -4.780 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 12.681 -7.915 -4.155 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 12.545 -7.068 -5.403 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 3.123 -8.799 0.893 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 2.904 -8.269 0.127 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 2.455 -8.572 1.541 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 13.799 -8.295 -2.799 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 13.584 -9.061 -2.267 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 14.455 -7.823 -2.286 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 0.221 0.512 -7.250 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 -0.051 0.741 -8.139 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 0.266 1.350 -6.790 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 13.846 2.134 -0.537 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 12.904 2.192 -0.376 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 14.122 3.040 -0.674 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 12.098 3.915 -3.912 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 12.523 3.208 -4.397 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 12.415 4.716 -4.329 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 13.257 1.816 -5.403 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 13.000 1.126 -6.015 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 13.328 1.373 -4.558 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 9.470 -4.198 -10.115 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 10.171 -4.176 -9.464 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 9.772 -4.826 -10.771 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 16.785 -3.278 1.140 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 16.133 -2.583 1.229 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 17.250 -3.068 0.330 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 12.719 -4.272 2.866 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 12.799 -3.509 3.438 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 12.118 -3.993 2.175 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 11.143 2.456 0.048 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 10.902 3.118 0.696 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 10.945 1.622 0.473 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 5.714 1.352 4.031 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 5.402 2.134 4.487 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 5.064 1.199 3.345 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 9.419 3.453 -5.082 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 9.893 3.748 -4.304 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 8.856 4.191 -5.315 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 3.953 3.424 4.795 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 3.961 3.288 3.847 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 3.037 3.306 5.047 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 15.391 -11.534 -8.704 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 14.492 -11.395 -8.409 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 15.643 -10.703 -9.106 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 8.477 2.637 3.527 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 8.564 3.463 4.002 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 7.613 2.307 3.776 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 2.545 5.198 -4.886 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 2.697 4.850 -4.007 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 1.694 4.842 -5.141 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 11.662 5.489 -6.915 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 10.727 5.589 -6.736 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 11.942 4.780 -6.337 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 9.081 -10.868 2.498 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 9.501 -11.283 3.251 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 8.148 -11.046 2.615 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 12.407 -7.112 3.352 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 11.893 -7.238 4.149 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 12.252 -6.200 3.107 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 13.170 -2.251 -10.887 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 13.212 -2.474 -11.817 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 14.019 -1.853 -10.697 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 8.743 -8.375 -10.217 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 8.489 -8.356 -9.294 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 8.486 -9.247 -10.518 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 2.259 -5.304 2.086 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 2.221 -4.904 2.954 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 1.768 -6.121 2.176 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 -1.133 -8.188 -4.064 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 -0.502 -8.217 -3.344 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 -0.683 -8.613 -4.794 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 10.310 -3.903 1.433 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 10.634 -4.534 0.790 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 9.870 -4.438 2.094 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 11.493 -8.741 -0.519 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 10.816 -8.610 0.145 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 11.007 -8.896 -1.329 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 2.378 -0.595 5.366 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 3.111 -0.341 5.927 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 1.598 -0.391 5.881 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 14.728 -1.454 0.989 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 15.370 -0.997 0.446 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 13.898 -1.341 0.527 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 11.476 -7.773 -9.598 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 10.538 -7.661 -9.749 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 11.773 -6.916 -9.292 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 9.098 -0.403 3.440 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 8.752 -0.784 4.246 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 8.898 0.531 3.511 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 12.194 -5.906 -7.937 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 13.086 -6.043 -7.618 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 12.251 -5.115 -8.474 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 9.704 0.872 -8.772 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 9.409 1.698 -8.390 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 9.001 0.252 -8.576 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 -0.289 -2.831 3.287 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 -0.066 -3.249 4.119 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -0.891 -3.444 2.865 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 6.728 -3.314 5.500 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 6.432 -3.480 4.605 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 7.659 -3.534 5.490 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 17.079 -5.696 -8.243 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 16.525 -6.092 -8.915 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 17.180 -4.786 -8.520 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 15.375 3.090 -7.778 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 15.002 2.264 -7.468 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 15.652 2.907 -8.675 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 5.078 2.226 -4.623 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 5.605 2.999 -4.824 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 4.198 2.451 -4.925 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 0.833 -2.912 -10.036 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 1.449 -2.285 -9.657 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 -0.029 -2.596 -9.765 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 7.020 4.038 1.268 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 7.383 4.893 1.035 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 7.552 3.746 2.009 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 5.189 4.911 -5.502 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 4.239 5.016 -5.450 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 5.540 5.731 -5.157 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 10.564 0.137 0.969 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 10.138 -0.090 1.795 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 11.145 -0.601 0.786 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 12.767 1.066 -9.957 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 13.120 0.686 -9.153 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 11.818 0.973 -9.871 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 1.345 -8.078 2.845 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 0.452 -7.739 2.778 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 1.246 -8.933 3.263 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 13.633 -0.261 -7.731 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 13.356 -0.989 -7.175 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 14.560 -0.142 -7.525 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 5.795 1.748 -9.054 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 5.942 1.228 -8.264 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 5.792 2.655 -8.748 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 2.248 -0.999 -8.544 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 1.562 -0.647 -7.977 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 2.771 -0.236 -8.790 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 10.080 -8.337 1.735 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 10.778 -8.263 2.385 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 9.699 -9.201 1.890 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 10.864 -8.685 -7.168 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 11.084 -8.213 -7.971 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 11.422 -8.290 -6.497 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 8.533 3.446 -8.305 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 7.716 3.943 -8.252 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 9.062 3.921 -8.945 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 8.600 -5.971 2.852 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 8.719 -5.397 3.609 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 9.255 -6.659 2.967 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 5.871 4.489 -8.323 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 6.032 5.289 -8.824 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 5.674 4.796 -7.438 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 2.864 1.615 -9.647 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 3.456 2.314 -9.371 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 3.323 1.182 -10.366 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 1.988 -10.939 -1.858 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 1.759 -10.880 -2.785 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 1.545 -11.731 -1.551 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 0.114 -0.576 6.587 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 0.258 -1.478 6.301 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 -0.659 -0.290 6.099 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 4.455 -0.232 -11.281 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 4.519 -1.026 -10.750 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 5.108 -0.351 -11.970 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 6.769 -0.606 6.020 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 6.441 -0.335 5.162 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 6.921 -1.547 5.932 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 9.807 0.815 -11.545 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 9.539 0.995 -10.644 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 9.601 -0.111 -11.676 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 12.504 -0.690 3.403 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 13.249 -0.102 3.283 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 11.747 -0.108 3.466 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 0.946 -3.376 6.007 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 1.354 -4.233 5.886 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 0.686 -3.361 6.928 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 5.604 -2.260 -8.975 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 5.145 -2.744 -8.289 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 5.859 -2.928 -9.611 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 4.893 -4.367 3.381 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 4.275 -3.692 3.662 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 5.237 -4.046 2.548 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 6.675 -4.017 -10.712 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 6.495 -4.171 -11.640 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 7.626 -3.909 -10.668 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 5.233 -7.012 4.464 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 5.383 -7.741 3.861 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 5.235 -6.235 3.905 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 5.645 -8.642 1.956 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 6.181 -8.191 1.304 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 4.793 -8.750 1.534 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 7.227 -3.203 2.196 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 7.978 -3.359 1.623 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 6.888 -2.351 1.920 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 6.451 -11.186 2.388 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 6.353 -10.239 2.282 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 5.708 -11.558 1.912 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 0.141 1.310 -10.228 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 1.055 1.389 -9.955 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 0.148 0.623 -10.895 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 -1.210 6.703 -5.151 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 -1.857 6.241 -5.684 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 -0.855 6.031 -4.568 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 16.524 -0.793 -7.292 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 17.374 -0.372 -7.164 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 16.529 -1.533 -6.684 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 16.918 -2.740 -5.468 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 16.192 -3.219 -5.070 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 17.499 -2.534 -4.736 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 16.677 0.045 -0.520 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 17.511 -0.333 -0.801 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 16.789 0.988 -0.639 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 17.186 -2.839 -9.077 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 16.665 -2.482 -9.796 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 17.153 -2.164 -8.399 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 14.415 -6.636 -6.443 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 14.695 -7.543 -6.318 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 15.174 -6.202 -6.832 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 15.027 -6.055 -1.007 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 15.960 -5.843 -1.041 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 14.792 -5.953 -0.084 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 15.056 -5.318 1.769 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 14.213 -5.050 2.135 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 15.499 -4.496 1.558 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 15.029 -9.373 -6.394 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 15.211 -9.822 -5.569 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 14.429 -9.958 -6.858 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 0.559 -8.558 -1.863 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 1.004 -9.350 -1.561 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 1.025 -7.842 -1.432 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 -1.137 -5.559 -0.794 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 -0.645 -5.780 -1.584 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 -0.775 -4.718 -0.513 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 1.332 2.612 5.749 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 0.511 2.787 5.289 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 1.080 2.539 6.670 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 4.286 3.587 2.008 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 3.861 4.396 1.725 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 5.191 3.672 1.706 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 1.688 6.843 2.055 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 0.968 7.283 1.604 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 1.322 6.592 2.904 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 4.155 6.443 1.085 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 3.290 6.515 1.489 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 4.100 6.990 0.301 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 5.781 4.646 -1.531 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 5.994 3.758 -1.818 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 5.846 4.612 -0.576 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 9.290 -9.690 -2.386 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 8.615 -10.319 -2.131 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 9.854 -10.174 -2.989 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 14.432 -11.583 -2.274 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 15.036 -11.035 -2.775 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 13.563 -11.263 -2.514 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 11.753 -11.099 -3.102 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 11.829 -11.004 -4.051 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 11.477 -12.007 -2.973 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 13.106 -11.073 -7.409 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 12.403 -10.459 -7.619 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 12.661 -11.911 -7.278 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 0.354 4.690 -7.863 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 -0.331 4.652 -8.531 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 0.357 5.603 -7.575 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 1.996 -3.030 19.262 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 2.038 -3.656 19.986 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 2.699 -2.407 19.444 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 0.240 -2.758 15.316 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 0.454 -3.528 15.843 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 0.978 -2.669 14.713 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 4.313 -7.717 15.675 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 4.356 -6.857 15.257 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 3.855 -8.269 15.042 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 0.933 -5.320 16.437 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 1.587 -5.870 16.869 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 0.957 -5.594 15.521 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 5.692 -1.123 20.037 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 4.952 -0.525 20.140 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 6.406 -0.569 19.721 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 2.717 -6.907 17.702 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 3.330 -6.274 18.075 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 3.229 -7.379 17.045 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 4.100 0.841 20.824 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 4.094 1.720 20.446 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 3.246 0.758 21.249 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 7.149 -11.493 17.202 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 7.032 -12.442 17.148 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 6.294 -11.161 17.475 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 4.834 -3.047 18.170 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 5.399 -2.926 17.407 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 5.153 -2.410 18.809 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 2.634 -2.450 22.116 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 2.704 -1.799 22.814 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 1.743 -2.347 21.781 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 -0.450 -0.383 20.941 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 -0.951 -0.411 20.126 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 -0.444 -1.289 21.251 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 1.799 0.940 21.984 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 2.016 0.579 22.844 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 0.944 0.566 21.774 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 9.081 -10.868 21.354 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 9.501 -11.283 22.107 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 8.148 -11.046 21.471 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 4.509 -5.624 19.075 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 3.867 -5.665 19.784 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 4.546 -4.698 18.837 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 9.144 -4.812 24.292 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 8.581 -5.516 24.612 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 9.970 -4.932 24.759 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 -1.133 -8.188 14.792 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 -0.502 -8.217 15.512 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 -0.683 -8.613 14.062 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 7.088 -7.976 15.073 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 6.177 -7.919 15.362 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 7.593 -8.036 15.884 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 2.378 -0.595 24.222 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 3.111 -0.341 24.783 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 1.598 -0.391 24.737 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 3.410 -9.052 13.378 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 3.093 -9.954 13.343 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 4.191 -9.050 12.826 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 7.034 -6.800 19.374 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 6.199 -6.346 19.484 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 7.558 -6.524 20.126 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 -0.289 -2.831 22.143 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 -0.066 -3.249 22.975 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 -0.891 -3.444 21.721 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 6.728 -3.314 24.356 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 6.432 -3.480 23.461 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 7.659 -3.534 24.346 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 10.080 -8.337 20.591 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 10.778 -8.263 21.241 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 9.699 -9.201 20.746 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 8.600 -5.971 21.708 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 8.719 -5.397 22.465 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 9.255 -6.659 21.823 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 0.114 -0.576 25.443 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 0.258 -1.478 25.157 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 -0.659 -0.290 24.955 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 4.455 -0.232 7.575 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 4.519 -1.026 8.106 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 5.108 -0.351 6.886 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 6.769 -0.606 24.876 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 6.441 -0.335 24.018 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 6.921 -1.547 24.788 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 7.227 -3.203 21.052 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 7.978 -3.359 20.479 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 6.888 -2.351 20.776 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 7.715 -6.864 24.807 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 7.479 -7.084 25.709 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 6.932 -7.071 24.298 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 7.026 -10.209 25.969 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 6.895 -10.685 25.148 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 6.427 -9.465 25.913 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 -0.260 -2.141 17.961 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 -0.076 -2.223 17.026 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 0.589 -2.265 18.385 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 0.559 -8.558 16.993 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 1.004 -9.350 17.295 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 1.025 -7.842 17.424 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 -1.137 -5.559 18.062 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 -0.645 -5.780 17.272 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 -0.775 -4.718 18.343 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 1.616 -11.056 14.292 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 0.839 -11.290 13.784 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 2.147 -11.853 14.300 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 6.196 -11.129 14.105 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 7.070 -10.741 14.075 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 6.060 -11.344 15.028 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 8.743 -8.375 27.495 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 8.489 -8.356 28.418 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 8.486 -9.247 27.194 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 5.625 -7.930 26.596 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 5.194 -8.375 27.326 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 4.907 -7.558 26.084 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 0.142 -7.442 29.072 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 0.616 -6.851 28.487 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 -0.576 -6.911 29.419 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 4.243 -5.152 27.979 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 3.701 -5.532 27.288 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 5.077 -4.958 27.550 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 0.833 -2.912 27.676 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 1.449 -2.285 28.055 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 -0.029 -2.596 27.947 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 4.605 -8.813 29.005 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 4.522 -7.924 29.351 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 5.495 -9.078 29.236 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 1.180 -5.721 27.181 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 1.135 -4.782 27.360 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 0.292 -5.957 26.911 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 4.455 -0.232 26.431 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 4.519 -1.026 26.962 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 5.108 -0.351 25.742 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 5.604 -2.260 28.737 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 5.145 -2.744 29.423 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 5.859 -2.928 28.101 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 6.675 -4.017 27.000 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 6.495 -4.171 26.072 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 7.626 -3.909 27.044 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 0.453 -11.258 28.951 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 0.892 -10.647 28.360 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 -0.181 -10.720 29.425 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 2.314 -9.342 27.394 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 2.805 -9.972 26.866 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 2.937 -9.046 28.057 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 7.149 7.363 -1.654 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 7.032 6.414 -1.708 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 6.294 7.695 -1.381 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 4.418 8.266 -0.876 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 3.557 8.179 -1.284 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 4.396 9.122 -0.449 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 -1.133 10.668 -4.064 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 -0.502 10.639 -3.344 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 -0.683 10.243 -4.794 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 1.988 7.917 -1.858 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 1.759 7.976 -2.785 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 1.545 7.125 -1.551 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 0.559 10.298 -1.863 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 1.004 9.506 -1.561 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 1.025 11.014 -1.432 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 -0.824 9.555 -6.739 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 -1.749 9.764 -6.869 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 -0.370 10.039 -7.429 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 -0.860 8.293 1.605 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 -1.525 8.047 2.248 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 -1.303 8.915 1.028 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 1.616 7.800 -4.564 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 0.839 7.566 -5.072 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 2.147 7.003 -4.556 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 0.453 7.598 -8.761 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 0.892 8.209 -9.352 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 -0.181 8.136 -8.287 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 19.063 -50.954 -13.223 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 19.603 -51.171 -12.464 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 18.582 -51.760 -13.413 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 20.852 -59.598 0.406 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 20.894 -60.224 1.130 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 21.555 -58.975 0.588 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 18.386 -61.488 -5.666 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 17.938 -60.642 -5.684 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 17.825 -62.068 -6.181 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 19.096 -59.326 -3.540 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.310 -60.096 -3.013 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 19.834 -59.237 -4.143 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 19.789 -61.888 -2.419 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 20.443 -62.438 -1.987 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 19.813 -62.162 -3.335 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 24.548 -57.691 1.181 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 23.808 -57.093 1.284 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 25.262 -57.137 0.865 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 22.956 -55.727 1.968 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 22.950 -54.848 1.590 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 22.102 -55.810 2.393 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 19.077 -56.056 -7.250 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 18.805 -55.827 -8.139 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 19.122 -55.218 -6.790 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 23.323 -58.384 -4.319 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 22.993 -58.754 -5.138 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 23.911 -59.054 -3.973 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 24.690 -54.956 -1.638 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 24.595 -55.534 -2.395 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 25.419 -55.327 -1.142 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 23.690 -59.615 -0.686 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 24.255 -59.494 -1.449 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 24.009 -58.978 -0.047 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 24.570 -55.216 4.031 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 24.258 -54.434 4.487 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 23.920 -55.369 3.345 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 21.490 -59.018 3.260 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 21.560 -58.367 3.958 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 20.599 -58.915 2.925 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 22.809 -53.144 4.795 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 22.817 -53.280 3.847 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 21.893 -53.262 5.047 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 21.115 -61.872 2.086 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 21.077 -61.472 2.954 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 20.624 -62.689 2.176 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 21.234 -57.163 5.366 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 21.967 -56.909 5.927 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 20.454 -56.959 5.881 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 21.559 -57.860 -2.028 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 22.304 -57.862 -2.629 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 21.637 -58.684 -1.546 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 18.567 -59.399 3.287 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 18.790 -59.817 4.119 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 17.965 -60.012 2.865 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 23.934 -54.342 -4.623 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 24.461 -53.569 -4.824 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 23.054 -54.117 -4.925 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 25.876 -52.530 1.268 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 26.239 -51.675 1.035 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 26.408 -52.822 2.009 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 24.045 -51.657 -5.502 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 23.095 -51.552 -5.450 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 24.396 -50.837 -5.157 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 24.727 -52.079 -8.323 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 24.888 -51.279 -8.824 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 24.530 -51.772 -7.438 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 19.774 -53.567 -5.697 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 18.942 -53.094 -5.670 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.320 -53.057 -6.296 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 23.660 -52.035 7.253 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 24.428 -52.494 7.594 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 23.639 -52.261 6.323 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 19.802 -59.944 6.007 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 20.210 -60.801 5.886 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 19.542 -59.929 6.928 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 17.719 -62.127 -0.794 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 18.211 -62.348 -1.584 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 18.081 -61.286 -0.513 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 20.188 -53.956 5.749 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 19.367 -53.781 5.289 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 19.936 -54.029 6.670 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 23.142 -52.981 2.008 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 22.717 -52.172 1.725 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 24.047 -52.896 1.706 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 24.637 -51.922 -1.531 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 24.850 -52.810 -1.818 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 24.702 -51.956 -0.576 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 19.210 -51.878 -7.863 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 18.525 -51.916 -8.531 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 19.213 -50.965 -7.575 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 21.028 -50.958 -10.838 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 20.760 -50.671 -9.965 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 21.799 -51.504 -10.686 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 19.077 -56.056 11.606 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 18.805 -55.827 10.717 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 19.122 -55.218 12.066 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 18.157 -54.171 17.825 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 19.103 -54.315 17.806 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 18.044 -53.387 18.362 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 19.689 -59.480 8.820 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 20.305 -58.853 9.199 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 18.827 -59.164 9.091 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 21.104 -57.567 10.312 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 20.418 -57.215 10.879 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 21.627 -56.804 10.066 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 21.720 -54.953 9.209 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 22.312 -54.254 9.485 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 22.179 -55.386 8.490 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 19.774 -53.567 13.159 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 18.942 -53.094 13.186 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 20.320 -53.057 12.560 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 18.997 -55.258 8.628 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 19.911 -55.179 8.901 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 19.004 -55.945 7.961 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 17.646 -49.865 13.705 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 16.999 -50.327 13.172 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 18.001 -50.537 14.288 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 18.516 -51.784 15.510 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 18.182 -52.665 15.682 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.738 -51.439 16.374 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 19.959 -51.102 17.822 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 19.940 -51.527 18.679 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 20.764 -51.420 17.413 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 19.210 -51.878 10.993 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 18.525 -51.916 10.325 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 19.213 -50.965 11.281 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 21.028 -50.958 8.018 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 20.760 -50.671 8.891 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 21.799 -51.504 8.170 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 20.201 -45.790 -16.011 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 19.308 -45.451 -16.078 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 20.102 -46.645 -15.593 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 18.970 -38.288 -12.269 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 19.114 -39.190 -12.555 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 18.197 -38.002 -12.757 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 19.802 -41.088 -12.849 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 20.210 -41.945 -12.970 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 19.542 -41.073 -11.928 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 20.748 -45.605 -12.776 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 20.959 -46.312 -13.387 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 20.636 -46.043 -11.932 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 18.194 -44.582 -13.610 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 19.113 -44.704 -13.374 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 17.744 -45.332 -13.221 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 17.996 -48.275 -17.251 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 17.331 -48.521 -16.608 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 17.553 -47.653 -17.828 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 20.430 -48.254 -13.903 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 20.064 -49.019 -13.460 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 21.343 -48.225 -13.616 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 22.403 -48.903 -12.367 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 23.302 -49.177 -12.552 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 22.017 -49.646 -11.903 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 20.852 -40.742 0.406 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 20.894 -41.368 1.130 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 21.555 -40.119 0.588 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 21.776 -36.292 -1.059 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 21.406 -37.094 -1.428 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 22.717 -36.461 -1.012 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 24.945 -41.482 -3.203 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 25.561 -42.008 -2.694 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 24.359 -42.122 -3.607 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 24.548 -38.835 1.181 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 23.808 -38.237 1.284 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 25.262 -38.281 0.865 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 22.956 -36.871 1.968 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 22.950 -35.992 1.590 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 22.102 -36.954 2.393 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 19.077 -37.200 -7.250 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 18.805 -36.971 -8.139 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 19.122 -36.362 -6.790 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 26.005 -49.205 -1.654 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 25.888 -50.154 -1.708 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 25.150 -48.873 -1.381 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 23.323 -39.528 -4.319 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 22.993 -39.898 -5.138 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 23.911 -40.198 -3.973 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 24.690 -36.100 -1.638 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 24.595 -36.678 -2.395 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 25.419 -36.471 -1.142 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 23.690 -40.759 -0.686 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 24.255 -40.638 -1.449 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 24.009 -40.122 -0.047 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 24.570 -36.360 4.031 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 24.258 -35.578 4.487 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 23.920 -36.513 3.345 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 21.490 -40.162 3.260 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 21.560 -39.511 3.958 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 20.599 -40.059 2.925 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 22.809 -34.288 4.795 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 22.817 -34.424 3.847 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 21.893 -34.406 5.047 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 22.313 -40.458 -6.730 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 22.021 -39.690 -7.221 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 21.639 -41.118 -6.893 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 27.333 -35.075 3.527 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 27.420 -34.249 4.002 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 26.469 -35.405 3.776 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 21.401 -32.514 -4.886 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 21.553 -32.862 -4.007 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.550 -32.870 -5.141 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 23.274 -48.302 -0.876 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 22.413 -48.389 -1.284 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 23.252 -47.446 -0.449 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 23.365 -43.336 0.219 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 22.723 -43.377 0.928 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 23.402 -42.410 -0.019 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 23.362 -43.115 -4.869 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 22.469 -43.456 -4.928 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 23.813 -43.492 -5.625 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 18.998 -45.154 -8.640 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 19.472 -44.563 -9.225 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 18.280 -44.623 -8.293 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 25.944 -45.688 -3.783 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 25.033 -45.631 -3.494 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 26.449 -45.748 -2.972 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 24.425 -44.059 -7.300 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 25.357 -43.930 -7.122 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 24.210 -43.389 -7.949 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 25.890 -44.512 0.518 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 25.055 -44.058 0.628 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 26.414 -44.236 1.270 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 21.559 -39.004 -2.028 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 22.304 -39.006 -2.629 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 21.637 -39.828 -1.546 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 23.934 -35.486 -4.623 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 24.461 -34.713 -4.824 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 23.054 -35.261 -4.925 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 19.689 -40.624 -10.036 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 20.305 -39.997 -9.657 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 18.827 -40.308 -9.765 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 25.876 -33.674 1.268 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 26.239 -32.819 1.035 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 26.408 -33.966 2.009 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 24.045 -32.801 -5.502 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 23.095 -32.696 -5.450 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 24.396 -31.981 -5.157 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 21.104 -38.711 -8.544 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 20.418 -38.359 -7.977 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 21.627 -37.948 -8.790 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 23.461 -46.525 -8.707 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 23.378 -45.636 -8.361 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 24.351 -46.790 -8.476 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 20.036 -43.433 -10.531 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 19.991 -42.494 -10.352 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 19.148 -43.669 -10.801 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 19.774 -34.711 -5.697 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 18.942 -34.238 -5.670 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 20.320 -34.201 -6.296 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 23.660 -33.179 7.253 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 24.428 -33.638 7.594 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 23.639 -33.405 6.323 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 25.625 -38.318 6.020 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 25.297 -38.047 5.162 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 25.777 -39.259 5.932 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 23.749 -42.079 3.381 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 23.131 -41.404 3.662 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 24.093 -41.758 2.548 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 24.089 -44.724 4.464 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 24.239 -45.453 3.861 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 24.091 -43.947 3.905 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 24.501 -46.354 1.956 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 25.037 -45.903 1.304 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 23.649 -46.462 1.534 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 22.567 -43.526 6.375 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 21.800 -44.058 6.165 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 23.246 -43.836 5.776 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 25.307 -48.898 2.388 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 25.209 -47.951 2.282 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 24.564 -49.270 1.912 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 20.748 -45.605 6.080 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 20.959 -46.312 5.469 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 20.636 -46.043 6.924 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 25.529 -49.604 5.059 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 26.241 -50.244 5.045 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 25.428 -49.337 4.145 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 18.997 -36.402 -10.228 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 19.911 -36.323 -9.955 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 19.004 -37.089 -10.895 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 17.646 -31.009 -5.151 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 16.999 -31.471 -5.684 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 18.001 -31.681 -4.568 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 18.596 -39.853 -0.895 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.780 -39.935 -1.830 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 19.445 -39.977 -0.471 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 27.453 -32.726 4.967 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 27.638 -33.060 5.845 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 28.300 -32.417 4.645 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 27.722 -31.381 0.261 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 27.265 -30.852 -0.393 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 27.885 -30.778 0.986 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 24.637 -33.066 -1.531 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 24.850 -33.954 -1.818 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 24.702 -33.100 -0.576 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 19.309 -48.970 -8.761 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 19.748 -48.359 -9.352 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 18.675 -48.432 -8.287 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 25.052 -48.841 -4.751 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 25.926 -48.453 -4.781 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 24.916 -49.056 -3.828 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 19.210 -33.022 -7.863 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 18.525 -33.060 -8.531 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 19.213 -32.109 -7.575 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 21.170 -47.054 -10.318 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 21.661 -47.684 -10.846 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 21.793 -46.758 -9.655 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 20.430 -48.254 4.953 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 20.064 -49.019 5.396 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 21.343 -48.225 5.240 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 22.403 -48.903 6.489 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 23.302 -49.177 6.304 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 22.017 -49.646 6.953 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 20.852 -40.742 19.262 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 20.894 -41.368 19.986 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 21.555 -40.119 19.444 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 21.776 -36.292 17.797 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 21.406 -37.094 17.428 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 22.717 -36.461 17.844 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 23.169 -45.429 15.675 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 23.212 -44.569 15.257 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 22.711 -45.981 15.042 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 24.945 -41.482 15.653 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 25.561 -42.008 16.162 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 24.359 -42.122 15.249 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 21.979 -46.511 19.749 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 21.760 -45.981 18.983 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 21.311 -46.284 20.397 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 21.573 -44.619 17.702 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 22.186 -43.986 18.075 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 22.085 -45.091 17.045 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 22.956 -36.871 20.824 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 22.950 -35.992 20.446 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 22.102 -36.954 21.249 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 23.323 -39.528 14.537 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 22.993 -39.898 13.718 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 23.911 -40.198 14.883 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 24.690 -36.100 17.218 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 24.595 -36.678 16.461 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 25.419 -36.471 17.714 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 23.690 -40.759 18.170 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 24.255 -40.638 17.407 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 24.009 -40.122 18.809 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 21.490 -40.162 22.116 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 21.560 -39.511 22.814 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 20.599 -40.059 21.781 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 22.313 -40.458 12.126 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 22.021 -39.690 11.635 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 21.639 -41.118 11.963 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 18.406 -38.095 20.941 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 17.905 -38.123 20.126 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 18.412 -39.001 21.251 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 20.655 -36.772 21.984 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 20.872 -37.133 22.844 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 19.800 -37.146 21.774 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 23.365 -43.336 19.075 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 22.723 -43.377 19.784 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 23.402 -42.410 18.837 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 23.362 -43.115 13.987 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 22.469 -43.456 13.928 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 23.813 -43.492 13.231 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 21.115 -43.016 20.942 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 21.077 -42.616 21.810 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 20.624 -43.833 21.032 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 20.772 -44.059 13.900 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 19.883 -43.959 13.560 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 21.068 -44.901 13.554 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 23.099 -42.864 9.123 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 22.557 -43.244 8.432 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 23.933 -42.670 8.694 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 22.266 -46.764 13.378 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 21.949 -47.666 13.343 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 23.047 -46.762 12.826 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 21.559 -39.004 16.828 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 22.304 -39.006 16.227 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 21.637 -39.828 17.310 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 18.567 -40.543 22.143 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 18.790 -40.961 22.975 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 17.965 -41.156 21.721 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 23.934 -35.486 14.233 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 24.461 -34.713 14.032 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 23.054 -35.261 13.931 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 19.689 -40.624 8.820 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 20.305 -39.997 9.199 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 18.827 -40.308 9.091 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 25.361 -37.823 13.809 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 25.120 -36.898 13.851 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 24.621 -38.282 14.205 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 24.045 -32.801 13.354 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 23.095 -32.696 13.406 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 24.396 -31.981 13.699 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 20.201 -45.790 21.701 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 19.308 -45.451 21.634 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 20.102 -46.645 22.119 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 19.852 -33.985 20.136 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 20.069 -34.917 20.105 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 20.099 -33.711 21.020 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 25.714 -35.534 7.346 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 25.953 -36.282 6.798 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 25.445 -35.922 8.178 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 24.651 -35.964 9.802 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 24.798 -36.484 10.592 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 24.648 -35.057 10.108 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 21.104 -38.711 10.312 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 20.418 -38.359 10.879 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 21.627 -37.948 10.066 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 24.727 -33.223 10.533 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 24.888 -32.423 10.032 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 24.530 -32.916 11.418 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 21.720 -36.097 9.209 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 22.312 -35.398 9.485 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 22.179 -36.530 8.490 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 20.036 -43.433 8.325 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 19.991 -42.494 8.504 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 19.148 -43.669 8.055 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 20.844 -48.651 16.998 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 20.615 -48.592 16.071 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 20.401 -49.443 17.305 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 19.063 -32.098 24.489 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.603 -32.315 25.248 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 18.582 -32.904 24.299 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 27.752 -33.671 7.484 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 27.108 -34.302 7.806 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 28.514 -34.202 7.252 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 23.311 -37.944 7.575 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 23.375 -38.738 8.106 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 23.964 -38.063 6.886 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 25.429 -31.038 9.145 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 26.362 -30.880 9.289 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 25.165 -30.363 8.520 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 19.415 -46.270 16.993 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 19.860 -47.062 17.295 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 19.881 -45.554 17.424 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 18.032 -47.013 12.117 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 17.107 -46.804 11.987 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 18.486 -46.529 11.427 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 17.996 -48.275 20.461 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 17.331 -48.521 21.104 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 17.553 -47.653 19.884 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 20.188 -35.100 24.605 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 19.367 -34.925 24.145 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 19.936 -35.173 25.526 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 20.544 -30.869 20.911 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 19.824 -30.429 20.460 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 20.178 -31.120 21.760 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 23.011 -31.269 19.941 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 22.146 -31.197 20.345 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 22.956 -30.722 19.157 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 19.959 -32.246 17.822 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 19.940 -32.671 18.679 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 20.764 -32.564 17.413 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 24.637 -33.066 17.325 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 24.850 -33.954 17.038 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 24.702 -33.100 18.280 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 20.472 -48.768 14.292 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 19.695 -49.002 13.784 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 21.003 -49.565 14.300 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 19.309 -48.970 10.095 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 19.748 -48.359 9.504 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 18.675 -48.432 10.569 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 21.170 -47.054 8.538 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 21.661 -47.684 8.010 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 21.793 -46.758 9.201 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 28.074 -31.812 9.390 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 28.940 -31.446 9.212 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 27.827 -32.252 8.577 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 18.997 -36.402 27.484 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 19.911 -36.323 27.757 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 19.004 -37.089 26.817 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 21.028 -32.102 26.874 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 20.760 -31.815 27.747 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 21.799 -32.648 27.026 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 18.970 -19.432 -12.269 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 19.114 -20.334 -12.555 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 18.197 -19.146 -12.757 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 18.194 -25.726 -13.610 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 19.113 -25.848 -13.374 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 17.744 -26.476 -13.221 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 20.852 -21.886 0.406 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 20.894 -22.512 1.130 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 21.555 -21.263 0.588 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 18.386 -23.776 -5.666 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 17.938 -22.930 -5.684 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 17.825 -24.356 -6.181 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 19.096 -21.614 -3.540 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 19.310 -22.384 -3.013 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 19.834 -21.525 -4.143 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 23.169 -26.573 -3.181 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 23.212 -25.713 -3.599 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 22.711 -27.125 -3.814 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 19.789 -24.176 -2.419 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 20.443 -24.726 -1.987 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 19.813 -24.450 -3.335 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 21.979 -27.655 0.893 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 21.760 -27.125 0.127 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 21.311 -27.428 1.541 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 21.573 -25.763 -1.154 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 22.186 -25.130 -0.781 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 22.085 -26.235 -1.811 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 26.005 -30.349 -1.654 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 25.888 -31.298 -1.708 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 25.150 -30.017 -1.381 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 21.490 -21.306 3.260 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 21.560 -20.655 3.958 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 20.599 -21.203 2.925 0.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 18.406 -19.239 2.085 0.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 17.905 -19.267 1.270 0.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 18.412 -20.145 2.395 0.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 18.157 -16.459 -1.031 0.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 19.103 -16.603 -1.050 0.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 18.044 -15.675 -0.494 0.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 20.655 -17.916 3.128 0.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 20.872 -18.277 3.988 0.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 19.800 -18.290 2.918 0.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 23.274 -29.446 -0.876 0.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 22.413 -29.533 -1.284 0.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 23.252 -28.590 -0.449 0.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 27.937 -29.724 2.498 0.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 28.357 -30.139 3.251 0.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 27.004 -29.902 2.615 0.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 23.365 -24.480 0.219 0.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 22.723 -24.521 0.928 0.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 23.402 -23.554 -0.019 0.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 21.115 -24.160 2.086 0.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 21.077 -23.760 2.954 0.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 20.624 -24.977 2.176 0.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 17.723 -27.044 -4.064 0.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 18.354 -27.073 -3.344 0.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 18.173 -27.469 -4.794 0.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 21.234 -19.451 5.366 0.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 21.967 -19.197 5.927 0.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 20.454 -19.247 5.881 0.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 22.266 -27.908 -5.478 0.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 21.949 -28.810 -5.513 0.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 23.047 -27.906 -6.030 0.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 25.890 -25.656 0.518 0.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 25.055 -25.202 0.628 0.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 26.414 -25.380 1.270 0.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 25.584 -22.170 5.500 0.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 25.288 -22.336 4.605 0.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 26.515 -22.390 5.490 0.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 27.456 -24.827 2.852 0.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 27.575 -24.253 3.609 0.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 28.111 -25.515 2.967 0.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 18.970 -19.432 6.587 0.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 19.114 -20.334 6.301 0.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 18.197 -19.146 6.099 0.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 23.749 -23.223 3.381 0.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 23.131 -22.548 3.662 0.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 24.093 -22.902 2.548 0.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 24.089 -25.868 4.464 0.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 24.239 -26.597 3.861 0.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 24.091 -25.091 3.905 0.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 24.501 -27.498 1.956 0.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 25.037 -27.047 1.304 0.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 23.649 -27.606 1.534 0.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 25.307 -30.042 2.388 0.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 25.209 -29.095 2.282 0.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 24.564 -30.414 1.912 0.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 26.571 -25.720 5.951 0.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 26.335 -25.940 6.853 0.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 25.788 -25.927 5.442 0.00 0.00 WAT1 ATOM 6776 OH2 TIP3 1457 29.287 -26.593 5.027 0.00 0.00 WAT1 ATOM 6777 H1 TIP3 1457 28.339 -26.561 5.159 0.00 0.00 WAT1 ATOM 6778 H2 TIP3 1457 29.599 -27.218 5.681 0.00 0.00 WAT1 ATOM 6779 OH2 TIP3 1458 25.529 -30.748 5.059 0.00 0.00 WAT1 ATOM 6780 H1 TIP3 1458 26.241 -31.388 5.045 0.00 0.00 WAT1 ATOM 6781 H2 TIP3 1458 25.428 -30.481 4.145 0.00 0.00 WAT1 ATOM 6782 OH2 TIP3 1459 25.882 -29.065 7.113 0.00 0.00 WAT1 ATOM 6783 H1 TIP3 1459 25.751 -29.541 6.292 0.00 0.00 WAT1 ATOM 6784 H2 TIP3 1459 25.283 -28.321 7.057 0.00 0.00 WAT1 ATOM 6785 OH2 TIP3 1460 18.997 -17.546 -10.228 0.00 0.00 WAT1 ATOM 6786 H1 TIP3 1460 19.911 -17.467 -9.955 0.00 0.00 WAT1 ATOM 6787 H2 TIP3 1460 19.004 -18.233 -10.895 0.00 0.00 WAT1 ATOM 6788 OH2 TIP3 1461 18.596 -20.997 -0.895 0.00 0.00 WAT1 ATOM 6789 H1 TIP3 1461 18.780 -21.079 -1.830 0.00 0.00 WAT1 ATOM 6790 H2 TIP3 1461 19.445 -21.121 -0.471 0.00 0.00 WAT1 ATOM 6791 OH2 TIP3 1462 19.415 -27.414 -1.863 0.00 0.00 WAT1 ATOM 6792 H1 TIP3 1462 19.860 -28.206 -1.561 0.00 0.00 WAT1 ATOM 6793 H2 TIP3 1462 19.881 -26.698 -1.432 0.00 0.00 WAT1 ATOM 6794 OH2 TIP3 1463 18.032 -28.157 -6.739 0.00 0.00 WAT1 ATOM 6795 H1 TIP3 1463 17.107 -27.948 -6.869 0.00 0.00 WAT1 ATOM 6796 H2 TIP3 1463 18.486 -27.673 -7.429 0.00 0.00 WAT1 ATOM 6797 OH2 TIP3 1464 20.472 -29.912 -4.564 0.00 0.00 WAT1 ATOM 6798 H1 TIP3 1464 19.695 -30.146 -5.072 0.00 0.00 WAT1 ATOM 6799 H2 TIP3 1464 21.003 -30.709 -4.556 0.00 0.00 WAT1 ATOM 6800 OH2 TIP3 1465 25.052 -29.985 -4.751 0.00 0.00 WAT1 ATOM 6801 H1 TIP3 1465 25.926 -29.597 -4.781 0.00 0.00 WAT1 ATOM 6802 H2 TIP3 1465 24.916 -30.200 -3.828 0.00 0.00 WAT1 ATOM 6803 OH2 TIP3 1466 20.852 -21.886 19.262 0.00 0.00 WAT1 ATOM 6804 H1 TIP3 1466 20.894 -22.512 19.986 0.00 0.00 WAT1 ATOM 6805 H2 TIP3 1466 21.555 -21.263 19.444 0.00 0.00 WAT1 ATOM 6806 OH2 TIP3 1467 19.096 -21.614 15.316 0.00 0.00 WAT1 ATOM 6807 H1 TIP3 1467 19.310 -22.384 15.843 0.00 0.00 WAT1 ATOM 6808 H2 TIP3 1467 19.834 -21.525 14.713 0.00 0.00 WAT1 ATOM 6809 OH2 TIP3 1468 23.169 -26.573 15.675 0.00 0.00 WAT1 ATOM 6810 H1 TIP3 1468 23.212 -25.713 15.257 0.00 0.00 WAT1 ATOM 6811 H2 TIP3 1468 22.711 -27.125 15.042 0.00 0.00 WAT1 ATOM 6812 OH2 TIP3 1469 21.979 -27.655 19.749 0.00 0.00 WAT1 ATOM 6813 H1 TIP3 1469 21.760 -27.125 18.983 0.00 0.00 WAT1 ATOM 6814 H2 TIP3 1469 21.311 -27.428 20.397 0.00 0.00 WAT1 ATOM 6815 OH2 TIP3 1470 21.573 -25.763 17.702 0.00 0.00 WAT1 ATOM 6816 H1 TIP3 1470 22.186 -25.130 18.075 0.00 0.00 WAT1 ATOM 6817 H2 TIP3 1470 22.085 -26.235 17.045 0.00 0.00 WAT1 ATOM 6818 OH2 TIP3 1471 19.077 -18.344 11.606 0.00 0.00 WAT1 ATOM 6819 H1 TIP3 1471 18.805 -18.115 10.717 0.00 0.00 WAT1 ATOM 6820 H2 TIP3 1471 19.122 -17.506 12.066 0.00 0.00 WAT1 ATOM 6821 OH2 TIP3 1472 26.005 -30.349 17.202 0.00 0.00 WAT1 ATOM 6822 H1 TIP3 1472 25.888 -31.298 17.148 0.00 0.00 WAT1 ATOM 6823 H2 TIP3 1472 25.150 -30.017 17.475 0.00 0.00 WAT1 ATOM 6824 OH2 TIP3 1473 22.313 -21.602 12.126 0.00 0.00 WAT1 ATOM 6825 H1 TIP3 1473 22.021 -20.834 11.635 0.00 0.00 WAT1 ATOM 6826 H2 TIP3 1473 21.639 -22.262 11.963 0.00 0.00 WAT1 ATOM 6827 OH2 TIP3 1474 23.274 -29.446 17.980 0.00 0.00 WAT1 ATOM 6828 H1 TIP3 1474 22.413 -29.533 17.572 0.00 0.00 WAT1 ATOM 6829 H2 TIP3 1474 23.252 -28.590 18.407 0.00 0.00 WAT1 ATOM 6830 OH2 TIP3 1475 27.599 -27.231 8.639 0.00 0.00 WAT1 ATOM 6831 H1 TIP3 1475 27.345 -27.212 9.562 0.00 0.00 WAT1 ATOM 6832 H2 TIP3 1475 27.342 -28.103 8.338 0.00 0.00 WAT1 ATOM 6833 OH2 TIP3 1476 23.365 -24.480 19.075 0.00 0.00 WAT1 ATOM 6834 H1 TIP3 1476 22.723 -24.521 19.784 0.00 0.00 WAT1 ATOM 6835 H2 TIP3 1476 23.402 -23.554 18.837 0.00 0.00 WAT1 ATOM 6836 OH2 TIP3 1477 23.362 -24.259 13.987 0.00 0.00 WAT1 ATOM 6837 H1 TIP3 1477 22.469 -24.600 13.928 0.00 0.00 WAT1 ATOM 6838 H2 TIP3 1477 23.813 -24.636 13.231 0.00 0.00 WAT1 ATOM 6839 OH2 TIP3 1478 21.115 -24.160 20.942 0.00 0.00 WAT1 ATOM 6840 H1 TIP3 1478 21.077 -23.760 21.810 0.00 0.00 WAT1 ATOM 6841 H2 TIP3 1478 20.624 -24.977 21.032 0.00 0.00 WAT1 ATOM 6842 OH2 TIP3 1479 18.998 -26.298 10.216 0.00 0.00 WAT1 ATOM 6843 H1 TIP3 1479 19.472 -25.707 9.631 0.00 0.00 WAT1 ATOM 6844 H2 TIP3 1479 18.280 -25.767 10.563 0.00 0.00 WAT1 ATOM 6845 OH2 TIP3 1480 20.772 -25.203 13.900 0.00 0.00 WAT1 ATOM 6846 H1 TIP3 1480 19.883 -25.103 13.560 0.00 0.00 WAT1 ATOM 6847 H2 TIP3 1480 21.068 -26.045 13.554 0.00 0.00 WAT1 ATOM 6848 OH2 TIP3 1481 24.425 -25.203 11.556 0.00 0.00 WAT1 ATOM 6849 H1 TIP3 1481 25.357 -25.074 11.734 0.00 0.00 WAT1 ATOM 6850 H2 TIP3 1481 24.210 -24.533 10.907 0.00 0.00 WAT1 ATOM 6851 OH2 TIP3 1482 23.099 -24.008 9.123 0.00 0.00 WAT1 ATOM 6852 H1 TIP3 1482 22.557 -24.388 8.432 0.00 0.00 WAT1 ATOM 6853 H2 TIP3 1482 23.933 -23.814 8.694 0.00 0.00 WAT1 ATOM 6854 OH2 TIP3 1483 22.266 -27.908 13.378 0.00 0.00 WAT1 ATOM 6855 H1 TIP3 1483 21.949 -28.810 13.343 0.00 0.00 WAT1 ATOM 6856 H2 TIP3 1483 23.047 -27.906 12.826 0.00 0.00 WAT1 ATOM 6857 OH2 TIP3 1484 21.559 -20.148 16.828 0.00 0.00 WAT1 ATOM 6858 H1 TIP3 1484 22.304 -20.150 16.227 0.00 0.00 WAT1 ATOM 6859 H2 TIP3 1484 21.637 -20.972 17.310 0.00 0.00 WAT1 ATOM 6860 OH2 TIP3 1485 18.567 -21.687 22.143 0.00 0.00 WAT1 ATOM 6861 H1 TIP3 1485 18.790 -22.105 22.975 0.00 0.00 WAT1 ATOM 6862 H2 TIP3 1485 17.965 -22.300 21.721 0.00 0.00 WAT1 ATOM 6863 OH2 TIP3 1486 19.689 -21.768 8.820 0.00 0.00 WAT1 ATOM 6864 H1 TIP3 1486 20.305 -21.141 9.199 0.00 0.00 WAT1 ATOM 6865 H2 TIP3 1486 18.827 -21.452 9.091 0.00 0.00 WAT1 ATOM 6866 OH2 TIP3 1487 20.201 -26.934 21.701 0.00 0.00 WAT1 ATOM 6867 H1 TIP3 1487 19.308 -26.595 21.634 0.00 0.00 WAT1 ATOM 6868 H2 TIP3 1487 20.102 -27.789 22.119 0.00 0.00 WAT1 ATOM 6869 OH2 TIP3 1488 21.104 -19.855 10.312 0.00 0.00 WAT1 ATOM 6870 H1 TIP3 1488 20.418 -19.503 10.879 0.00 0.00 WAT1 ATOM 6871 H2 TIP3 1488 21.627 -19.092 10.066 0.00 0.00 WAT1 ATOM 6872 OH2 TIP3 1489 20.844 -29.795 16.998 0.00 0.00 WAT1 ATOM 6873 H1 TIP3 1489 20.615 -29.736 16.071 0.00 0.00 WAT1 ATOM 6874 H2 TIP3 1489 20.401 -30.587 17.305 0.00 0.00 WAT1 ATOM 6875 OH2 TIP3 1490 25.531 -22.873 8.144 0.00 0.00 WAT1 ATOM 6876 H1 TIP3 1490 25.351 -23.027 7.216 0.00 0.00 WAT1 ATOM 6877 H2 TIP3 1490 26.482 -22.765 8.188 0.00 0.00 WAT1 ATOM 6878 OH2 TIP3 1491 18.997 -17.546 8.628 0.00 0.00 WAT1 ATOM 6879 H1 TIP3 1491 19.911 -17.467 8.901 0.00 0.00 WAT1 ATOM 6880 H2 TIP3 1491 19.004 -18.233 7.961 0.00 0.00 WAT1 ATOM 6881 OH2 TIP3 1492 18.596 -20.997 17.961 0.00 0.00 WAT1 ATOM 6882 H1 TIP3 1492 18.780 -21.079 17.026 0.00 0.00 WAT1 ATOM 6883 H2 TIP3 1492 19.445 -21.121 18.385 0.00 0.00 WAT1 ATOM 6884 OH2 TIP3 1493 18.194 -25.726 24.102 0.00 0.00 WAT1 ATOM 6885 H1 TIP3 1493 19.113 -25.848 24.338 0.00 0.00 WAT1 ATOM 6886 H2 TIP3 1493 17.744 -26.476 24.491 0.00 0.00 WAT1 ATOM 6887 OH2 TIP3 1494 17.996 -29.419 20.461 0.00 0.00 WAT1 ATOM 6888 H1 TIP3 1494 17.331 -29.665 21.104 0.00 0.00 WAT1 ATOM 6889 H2 TIP3 1494 17.553 -28.797 19.884 0.00 0.00 WAT1 ATOM 6890 OH2 TIP3 1495 25.052 -29.985 14.105 0.00 0.00 WAT1 ATOM 6891 H1 TIP3 1495 25.926 -29.597 14.075 0.00 0.00 WAT1 ATOM 6892 H2 TIP3 1495 24.916 -30.200 15.028 0.00 0.00 WAT1 ATOM 6893 OH2 TIP3 1496 26.196 -27.905 10.995 0.00 0.00 WAT1 ATOM 6894 H1 TIP3 1496 26.374 -28.551 11.678 0.00 0.00 WAT1 ATOM 6895 H2 TIP3 1496 26.142 -27.071 11.462 0.00 0.00 WAT1 ATOM 6896 OH2 TIP3 1497 20.430 -29.398 23.809 0.00 0.00 WAT1 ATOM 6897 H1 TIP3 1497 20.064 -30.163 24.252 0.00 0.00 WAT1 ATOM 6898 H2 TIP3 1497 21.343 -29.369 24.096 0.00 0.00 WAT1 ATOM 6899 OH2 TIP3 1498 18.386 -4.920 -5.666 0.00 0.00 WAT1 ATOM 6900 H1 TIP3 1498 17.938 -4.074 -5.684 0.00 0.00 WAT1 ATOM 6901 H2 TIP3 1498 17.825 -5.500 -6.181 0.00 0.00 WAT1 ATOM 6902 OH2 TIP3 1499 19.096 -2.758 -3.540 0.00 0.00 WAT1 ATOM 6903 H1 TIP3 1499 19.310 -3.528 -3.013 0.00 0.00 WAT1 ATOM 6904 H2 TIP3 1499 19.834 -2.669 -4.143 0.00 0.00 WAT1 ATOM 6905 OH2 TIP3 1500 18.596 -2.141 -0.895 0.00 0.00 WAT1 ATOM 6906 H1 TIP3 1500 18.780 -2.223 -1.830 0.00 0.00 WAT1 ATOM 6907 H2 TIP3 1500 19.445 -2.265 -0.471 0.00 0.00 WAT1 ATOM 6908 OH2 TIP3 1501 17.719 -5.559 -0.794 0.00 0.00 WAT1 ATOM 6909 H1 TIP3 1501 18.211 -5.780 -1.584 0.00 0.00 WAT1 ATOM 6910 H2 TIP3 1501 18.081 -4.718 -0.513 0.00 0.00 WAT1 END