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 -1.022 -14.710 -29.749 1.00 22.13 ATOM 2 CB MET 1 -2.945 -15.053 -28.860 1.00 10.24 ATOM 3 HB1 MET 1 -3.423 -15.845 -28.296 1.00 38.34 ATOM 4 HB2 MET 1 -3.620 -14.751 -29.651 1.00 64.24 ATOM 5 CG MET 1 -2.743 -13.845 -27.959 1.00 33.11 ATOM 6 HG1 MET 1 -3.682 -13.316 -27.889 1.00 38.34 ATOM 7 HG2 MET 1 -1.999 -13.190 -28.394 1.00 52.25 ATOM 8 SD MET 1 -2.213 -14.299 -26.297 1.00 25.34 ATOM 9 CE MET 1 -2.780 -12.881 -25.361 1.00 31.52 ATOM 10 HE1 MET 1 -3.851 -12.788 -25.462 1.00 52.30 ATOM 11 HE2 MET 1 -2.304 -11.988 -25.737 1.00 4.40 ATOM 12 HE3 MET 1 -2.527 -13.013 -24.319 1.00 34.30 ATOM 13 C MET 1 -0.906 -16.465 -28.533 1.00 31.31 ATOM 14 O MET 1 -1.519 -17.178 -27.739 1.00 63.22 ATOM 15 N MET 1 -1.948 -16.259 -30.749 1.00 12.41 ATOM 16 HT1 MET 1 -1.065 -16.581 -31.200 1.00 38.34 ATOM 17 HT2 MET 1 -2.441 -15.625 -31.414 1.00 38.34 ATOM 18 HT3 MET 1 -2.553 -17.091 -30.572 1.00 38.34 ATOM 19 CA MET 1 -1.653 -15.557 -29.505 1.00 22.21 ATOM 20 N GLY 2 0.421 -16.434 -28.601 1.00 64.25 ATOM 21 HN GLY 2 0.867 -15.847 -29.253 1.00 38.34 ATOM 22 CA GLY 2 1.229 -17.259 -27.722 1.00 62.34 ATOM 23 HA1 GLY 2 2.261 -17.185 -28.033 1.00 38.34 ATOM 24 HA2 GLY 2 0.914 -18.292 -27.812 1.00 12.12 ATOM 25 C GLY 2 1.128 -16.832 -26.271 1.00 72.44 ATOM 26 O GLY 2 0.844 -15.671 -25.977 1.00 1.13 ATOM 27 N HIS 3 1.358 -17.774 -25.362 1.00 4.23 ATOM 28 HN HIS 3 1.595 -18.686 -25.658 1.00 38.34 ATOM 29 CA HIS 3 1.290 -17.489 -23.933 1.00 24.12 ATOM 30 HA HIS 3 0.538 -16.721 -23.770 1.00 32.15 ATOM 31 CB HIS 3 0.877 -18.742 -23.161 1.00 34.23 ATOM 32 HB1 HIS 3 1.060 -18.596 -22.103 1.00 38.34 ATOM 33 HB2 HIS 3 1.462 -19.581 -23.507 1.00 15.54 ATOM 34 CG HIS 3 -0.570 -19.095 -23.322 1.00 51.22 ATOM 35 ND1 HIS 3 -1.161 -20.162 -22.680 1.00 22.34 ATOM 36 HD1 HIS 3 -0.711 -20.783 -22.070 1.00 41.44 ATOM 37 CD2 HIS 3 -1.546 -18.513 -24.058 1.00 32.32 ATOM 38 HD2 HIS 3 -1.439 -17.644 -24.692 1.00 24.20 ATOM 39 CE1 HIS 3 -2.437 -20.223 -23.014 1.00 73.22 ATOM 40 HE1 HIS 3 -3.148 -20.957 -22.663 1.00 14.44 ATOM 41 NE2 HIS 3 -2.697 -19.233 -23.849 1.00 62.33 ATOM 42 HE2 HIS 3 -3.544 -19.103 -24.325 1.00 38.34 ATOM 43 C HIS 3 2.632 -16.979 -23.416 1.00 41.30 ATOM 44 O HIS 3 3.574 -17.751 -23.234 1.00 74.43 ATOM 45 N HIS 4 2.713 -15.673 -23.182 1.00 13.31 ATOM 46 HN HIS 4 1.910 -15.123 -23.290 1.00 38.34 ATOM 47 CA HIS 4 3.940 -15.059 -22.686 1.00 73.12 ATOM 48 HA HIS 4 4.767 -15.743 -22.834 1.00 34.05 ATOM 49 CB HIS 4 4.240 -13.774 -23.458 1.00 62.01 ATOM 50 HB1 HIS 4 4.508 -14.033 -24.472 1.00 38.34 ATOM 51 HB2 HIS 4 5.071 -13.255 -22.998 1.00 12.32 ATOM 52 CG HIS 4 3.081 -12.828 -23.521 1.00 72.10 ATOM 53 ND1 HIS 4 2.900 -11.798 -22.622 1.00 43.13 ATOM 54 HD1 HIS 4 3.491 -11.583 -21.871 1.00 44.11 ATOM 55 CD2 HIS 4 2.040 -12.759 -24.384 1.00 30.43 ATOM 56 HD2 HIS 4 1.859 -13.415 -25.224 1.00 51.33 ATOM 57 CE1 HIS 4 1.798 -11.138 -22.928 1.00 53.33 ATOM 58 HE1 HIS 4 1.406 -10.282 -22.398 1.00 0.23 ATOM 59 NE2 HIS 4 1.257 -11.701 -23.994 1.00 0.23 ATOM 60 HE2 HIS 4 0.486 -11.351 -24.488 1.00 38.34 ATOM 61 C HIS 4 3.832 -14.757 -21.195 1.00 31.25 ATOM 62 O HIS 4 4.015 -13.617 -20.767 1.00 21.14 ATOM 63 N HIS 5 3.533 -15.786 -20.407 1.00 52.24 ATOM 64 HN HIS 5 3.392 -16.678 -20.799 1.00 38.34 ATOM 65 CA HIS 5 3.400 -15.630 -18.963 1.00 64.22 ATOM 66 HA HIS 5 3.769 -14.653 -18.671 1.00 53.31 ATOM 67 CB HIS 5 1.935 -15.758 -18.547 1.00 74.45 ATOM 68 HB1 HIS 5 1.871 -15.960 -17.484 1.00 38.34 ATOM 69 HB2 HIS 5 1.480 -16.575 -19.087 1.00 71.41 ATOM 70 CG HIS 5 1.127 -14.526 -18.814 1.00 14.34 ATOM 71 ND1 HIS 5 -0.224 -14.556 -19.089 1.00 71.21 ATOM 72 HD1 HIS 5 -0.780 -15.361 -19.138 1.00 23.30 ATOM 73 CD2 HIS 5 1.486 -13.221 -18.843 1.00 72.04 ATOM 74 HD2 HIS 5 2.476 -12.825 -18.668 1.00 4.14 ATOM 75 CE1 HIS 5 -0.660 -13.324 -19.279 1.00 15.33 ATOM 76 HE1 HIS 5 -1.676 -13.042 -19.511 1.00 73.32 ATOM 77 NE2 HIS 5 0.358 -12.495 -19.135 1.00 15.54 ATOM 78 HE2 HIS 5 0.331 -11.532 -19.313 1.00 38.34 ATOM 79 C HIS 5 4.243 -16.666 -18.226 1.00 21.44 ATOM 80 O HIS 5 3.711 -17.597 -17.620 1.00 70.31 ATOM 81 N HIS 6 5.561 -16.499 -18.281 1.00 54.04 ATOM 82 HN HIS 6 5.923 -15.704 -18.726 1.00 38.34 ATOM 83 CA HIS 6 6.477 -17.420 -17.619 1.00 21.04 ATOM 84 HA HIS 6 5.918 -18.253 -17.210 1.00 44.13 ATOM 85 CB HIS 6 7.492 -17.972 -18.620 1.00 40.22 ATOM 86 HB1 HIS 6 6.977 -18.627 -19.307 1.00 38.34 ATOM 87 HB2 HIS 6 8.253 -18.540 -18.102 1.00 12.03 ATOM 88 CG HIS 6 8.172 -16.911 -19.430 1.00 22.03 ATOM 89 ND1 HIS 6 9.442 -16.450 -19.152 1.00 31.52 ATOM 90 HD1 HIS 6 10.015 -16.757 -18.419 1.00 60.43 ATOM 91 CD2 HIS 6 7.753 -16.221 -20.516 1.00 33.00 ATOM 92 HD2 HIS 6 6.798 -16.325 -21.012 1.00 31.34 ATOM 93 CE1 HIS 6 9.773 -15.522 -20.031 1.00 42.20 ATOM 94 HE1 HIS 6 10.709 -14.984 -20.060 1.00 34.31 ATOM 95 NE2 HIS 6 8.766 -15.364 -20.870 1.00 75.12 ATOM 96 HE2 HIS 6 8.784 -14.807 -21.676 1.00 38.34 ATOM 97 C HIS 6 7.204 -16.730 -16.468 1.00 54.22 ATOM 98 O HIS 6 8.402 -16.930 -16.268 1.00 30.22 ATOM 99 N HIS 7 6.471 -15.915 -15.715 1.00 74.54 ATOM 100 HN HIS 7 5.513 -15.796 -15.912 1.00 38.34 ATOM 101 CA HIS 7 7.045 -15.195 -14.585 1.00 25.22 ATOM 102 HA HIS 7 8.124 -15.175 -14.686 1.00 62.11 ATOM 103 CB HIS 7 6.542 -13.752 -14.563 1.00 52.32 ATOM 104 HB1 HIS 7 6.646 -13.326 -15.551 1.00 38.34 ATOM 105 HB2 HIS 7 7.139 -13.181 -13.867 1.00 60.24 ATOM 106 CG HIS 7 5.107 -13.624 -14.154 1.00 32.20 ATOM 107 ND1 HIS 7 4.059 -13.704 -15.047 1.00 64.13 ATOM 108 HD1 HIS 7 4.140 -13.847 -16.013 1.00 53.40 ATOM 109 CD2 HIS 7 4.547 -13.423 -12.938 1.00 5.21 ATOM 110 HD2 HIS 7 5.074 -13.314 -12.000 1.00 15.52 ATOM 111 CE1 HIS 7 2.918 -13.556 -14.399 1.00 1.32 ATOM 112 HE1 HIS 7 1.933 -13.574 -14.841 1.00 40.54 ATOM 113 NE2 HIS 7 3.187 -13.384 -13.117 1.00 14.11 ATOM 114 HE2 HIS 7 2.528 -13.160 -12.427 1.00 38.34 ATOM 115 C HIS 7 6.702 -15.886 -13.269 1.00 34.23 ATOM 116 O HIS 7 7.485 -15.861 -12.319 1.00 42.21 ATOM 117 N HIS 8 5.525 -16.502 -13.219 1.00 72.42 ATOM 118 HN HIS 8 4.926 -16.478 -13.998 1.00 38.34 ATOM 119 CA HIS 8 5.077 -17.200 -12.019 1.00 61.22 ATOM 120 HA HIS 8 5.121 -16.506 -11.189 1.00 21.35 ATOM 121 CB HIS 8 3.633 -17.675 -12.188 1.00 45.32 ATOM 122 HB1 HIS 8 3.572 -18.389 -12.994 1.00 38.34 ATOM 123 HB2 HIS 8 3.015 -16.823 -12.431 1.00 61.43 ATOM 124 CG HIS 8 3.064 -18.311 -10.958 1.00 1.24 ATOM 125 ND1 HIS 8 3.184 -19.656 -10.681 1.00 63.44 ATOM 126 HD1 HIS 8 3.639 -20.317 -11.243 1.00 32.44 ATOM 127 CD2 HIS 8 2.369 -17.777 -9.926 1.00 71.20 ATOM 128 HD2 HIS 8 2.091 -16.739 -9.810 1.00 24.40 ATOM 129 CE1 HIS 8 2.586 -19.923 -9.534 1.00 63.32 ATOM 130 HE1 HIS 8 2.520 -20.894 -9.067 1.00 33.23 ATOM 131 NE2 HIS 8 2.084 -18.800 -9.055 1.00 54.30 ATOM 132 HE2 HIS 8 1.670 -18.698 -8.173 1.00 38.34 ATOM 133 C HIS 8 5.983 -18.389 -11.712 1.00 41.20 ATOM 134 O HIS 8 6.723 -18.380 -10.728 1.00 34.00 ATOM 135 N SER 9 5.919 -19.410 -12.560 1.00 62.22 ATOM 136 HN SER 9 5.342 -19.349 -13.356 1.00 38.34 ATOM 137 CA SER 9 6.730 -20.608 -12.377 1.00 23.03 ATOM 138 HA SER 9 6.522 -21.007 -11.391 1.00 53.43 ATOM 139 CB SER 9 6.357 -21.666 -13.417 1.00 23.45 ATOM 140 HB1 SER 9 7.150 -22.400 -13.502 1.00 38.34 ATOM 141 HB2 SER 9 6.206 -21.193 -14.376 1.00 25.33 ATOM 142 OG SER 9 5.166 -22.342 -13.052 1.00 52.42 ATOM 143 HG SER 9 4.960 -23.007 -13.713 1.00 42.05 ATOM 144 C SER 9 8.216 -20.279 -12.480 1.00 45.22 ATOM 145 O SER 9 8.775 -20.216 -13.576 1.00 5.34 ATOM 146 N HIS 10 8.851 -20.070 -11.331 1.00 42.41 ATOM 147 HN HIS 10 8.350 -20.124 -10.482 1.00 38.34 ATOM 148 CA HIS 10 10.273 -19.747 -11.291 1.00 21.22 ATOM 149 HA HIS 10 10.593 -19.445 -12.283 1.00 63.23 ATOM 150 CB HIS 10 10.528 -18.591 -10.323 1.00 64.31 ATOM 151 HB1 HIS 10 10.491 -18.950 -9.302 1.00 38.34 ATOM 152 HB2 HIS 10 9.758 -17.844 -10.458 1.00 31.04 ATOM 153 CG HIS 10 11.850 -17.918 -10.530 1.00 2.04 ATOM 154 ND1 HIS 10 11.980 -16.681 -11.124 1.00 53.42 ATOM 155 HD1 HIS 10 11.245 -16.130 -11.464 1.00 12.31 ATOM 156 CD2 HIS 10 13.105 -18.316 -10.215 1.00 41.11 ATOM 157 HD2 HIS 10 13.381 -19.243 -9.732 1.00 73.15 ATOM 158 CE1 HIS 10 13.257 -16.347 -11.168 1.00 63.32 ATOM 159 HE1 HIS 10 13.657 -15.432 -11.579 1.00 35.35 ATOM 160 NE2 HIS 10 13.961 -17.323 -10.622 1.00 43.54 ATOM 161 HE2 HIS 10 14.940 -17.374 -10.608 1.00 38.34 ATOM 162 C HIS 10 11.095 -20.964 -10.876 1.00 74.22 ATOM 163 O HIS 10 12.301 -21.020 -11.111 1.00 43.42 ATOM 164 N MET 11 10.432 -21.936 -10.258 1.00 23.43 ATOM 165 HN MET 11 9.476 -21.839 -10.060 1.00 38.34 ATOM 166 CA MET 11 11.102 -23.152 -9.811 1.00 32.41 ATOM 167 HA MET 11 11.974 -23.304 -10.436 1.00 3.42 ATOM 168 CB MET 11 11.538 -23.013 -8.351 1.00 71.11 ATOM 169 HB1 MET 11 11.510 -23.981 -7.880 1.00 38.34 ATOM 170 HB2 MET 11 10.828 -22.372 -7.841 1.00 21.42 ATOM 171 CG MET 11 12.918 -22.399 -8.185 1.00 43.42 ATOM 172 HG1 MET 11 12.823 -21.498 -7.596 1.00 38.34 ATOM 173 HG2 MET 11 13.331 -22.145 -9.152 1.00 55.32 ATOM 174 SD MET 11 14.074 -23.502 -7.349 1.00 52.14 ATOM 175 CE MET 11 13.160 -23.881 -5.856 1.00 41.02 ATOM 176 HE1 MET 11 12.463 -24.676 -6.063 1.00 23.15 ATOM 177 HE2 MET 11 12.622 -23.005 -5.524 1.00 41.21 ATOM 178 HE3 MET 11 13.846 -24.196 -5.084 1.00 41.22 ATOM 179 C MET 11 10.189 -24.364 -9.968 1.00 21.53 ATOM 180 O MET 11 8.969 -24.243 -10.076 1.00 52.33 ATOM 181 N PRO 12 10.792 -25.563 -9.980 1.00 52.34 ATOM 182 CA PRO 12 10.051 -26.820 -10.123 1.00 44.23 ATOM 183 HA PRO 12 9.414 -26.808 -10.996 1.00 51.23 ATOM 184 CB PRO 12 11.156 -27.863 -10.310 1.00 50.22 ATOM 185 HB1 PRO 12 11.337 -28.001 -11.362 1.00 38.34 ATOM 186 HB2 PRO 12 10.884 -28.812 -9.866 1.00 24.54 ATOM 187 CG PRO 12 12.353 -27.268 -9.653 1.00 24.43 ATOM 188 HG1 PRO 12 13.252 -27.643 -10.119 1.00 38.34 ATOM 189 HG2 PRO 12 12.349 -27.504 -8.599 1.00 22.35 ATOM 190 CD PRO 12 12.242 -25.783 -9.856 1.00 5.43 ATOM 191 HD1 PRO 12 12.757 -25.485 -10.758 1.00 38.34 ATOM 192 HD2 PRO 12 12.648 -25.282 -9.011 1.00 73.32 ATOM 193 C PRO 12 9.216 -27.144 -8.890 1.00 11.14 ATOM 194 O PRO 12 9.638 -27.915 -8.027 1.00 51.34 ATOM 195 N ASP 13 8.029 -26.551 -8.812 1.00 25.30 ATOM 196 HN ASP 13 7.738 -25.952 -9.541 1.00 38.34 ATOM 197 CA ASP 13 7.134 -26.779 -7.684 1.00 13.51 ATOM 198 HA ASP 13 7.731 -26.902 -6.787 1.00 4.41 ATOM 199 CB ASP 13 6.209 -25.576 -7.489 1.00 73.15 ATOM 200 HB1 ASP 13 5.762 -25.316 -8.437 1.00 38.34 ATOM 201 HB2 ASP 13 6.788 -24.739 -7.127 1.00 41.11 ATOM 202 CG ASP 13 5.098 -25.855 -6.495 1.00 43.55 ATOM 203 OD1 ASP 13 5.281 -26.740 -5.634 1.00 21.21 ATOM 204 OD2 ASP 13 4.047 -25.186 -6.579 1.00 31.25 ATOM 205 C ASP 13 6.307 -28.043 -7.893 1.00 31.54 ATOM 206 O ASP 13 6.111 -28.830 -6.965 1.00 42.14 ATOM 207 N HIS 14 5.823 -28.233 -9.116 1.00 51.11 ATOM 208 HN HIS 14 5.996 -27.559 -9.816 1.00 38.34 ATOM 209 CA HIS 14 5.016 -29.402 -9.447 1.00 24.44 ATOM 210 HA HIS 14 4.100 -29.344 -8.870 1.00 14.43 ATOM 211 CB HIS 14 4.683 -29.413 -10.939 1.00 15.24 ATOM 212 HB1 HIS 14 4.681 -30.431 -11.311 1.00 38.34 ATOM 213 HB2 HIS 14 5.427 -28.848 -11.483 1.00 13.21 ATOM 214 CG HIS 14 3.343 -28.823 -11.257 1.00 31.43 ATOM 215 ND1 HIS 14 2.237 -29.589 -11.563 1.00 5.20 ATOM 216 HD1 HIS 14 2.212 -30.568 -11.604 1.00 72.10 ATOM 217 CD2 HIS 14 2.934 -27.534 -11.313 1.00 74.54 ATOM 218 HD2 HIS 14 3.542 -26.660 -11.126 1.00 70.53 ATOM 219 CE1 HIS 14 1.207 -28.796 -11.796 1.00 33.11 ATOM 220 HE1 HIS 14 0.210 -29.117 -12.059 1.00 32.03 ATOM 221 NE2 HIS 14 1.602 -27.544 -11.651 1.00 25.35 ATOM 222 HE2 HIS 14 1.014 -26.760 -11.670 1.00 38.34 ATOM 223 C HIS 14 5.744 -30.689 -9.067 1.00 53.20 ATOM 224 O HIS 14 6.969 -30.713 -8.962 1.00 2.25 ATOM 225 N GLY 15 4.979 -31.757 -8.862 1.00 60.11 ATOM 226 HN GLY 15 4.002 -31.680 -8.935 1.00 38.34 ATOM 227 CA GLY 15 5.568 -33.032 -8.496 1.00 1.24 ATOM 228 HA1 GLY 15 5.077 -33.387 -7.602 1.00 38.34 ATOM 229 HA2 GLY 15 6.624 -32.922 -8.283 1.00 72.43 ATOM 230 C GLY 15 5.400 -34.081 -9.577 1.00 40.50 ATOM 231 O GLY 15 6.266 -34.935 -9.762 1.00 65.34 ATOM 232 N ASP 16 4.282 -34.017 -10.292 1.00 31.14 ATOM 233 HN ASP 16 3.612 -33.325 -10.105 1.00 38.34 ATOM 234 CA ASP 16 4.002 -34.969 -11.360 1.00 64.31 ATOM 235 HA ASP 16 4.737 -35.769 -11.328 1.00 61.41 ATOM 236 CB ASP 16 2.611 -35.578 -11.179 1.00 52.41 ATOM 237 HB1 ASP 16 2.229 -35.917 -12.135 1.00 38.34 ATOM 238 HB2 ASP 16 1.940 -34.831 -10.779 1.00 32.13 ATOM 239 CG ASP 16 2.616 -36.764 -10.236 1.00 31.24 ATOM 240 OD1 ASP 16 2.557 -36.546 -9.008 1.00 2.43 ATOM 241 OD2 ASP 16 2.679 -37.912 -10.725 1.00 44.40 ATOM 242 C ASP 16 4.104 -34.298 -12.726 1.00 70.23 ATOM 243 O ASP 16 3.109 -33.813 -13.266 1.00 25.22 ATOM 244 N TRP 17 5.311 -34.274 -13.279 1.00 3.50 ATOM 245 HN TRP 17 6.069 -34.689 -12.801 1.00 38.34 ATOM 246 CA TRP 17 5.543 -33.661 -14.582 1.00 53.41 ATOM 247 HA TRP 17 5.055 -32.692 -14.596 1.00 24.21 ATOM 248 CB TRP 17 7.041 -33.465 -14.818 1.00 23.22 ATOM 249 HB1 TRP 17 7.217 -33.236 -15.863 1.00 38.34 ATOM 250 HB2 TRP 17 7.561 -34.377 -14.565 1.00 11.22 ATOM 251 CG TRP 17 7.632 -32.357 -14.000 1.00 12.22 ATOM 252 CD1 TRP 17 7.361 -32.069 -12.693 1.00 12.14 ATOM 253 HD1 TRP 17 6.673 -32.619 -12.074 1.00 11.11 ATOM 254 CD2 TRP 17 8.591 -31.388 -14.436 1.00 3.44 ATOM 255 NE1 TRP 17 8.094 -30.979 -12.289 1.00 62.14 ATOM 256 HE1 TRP 17 8.074 -30.580 -11.394 1.00 74.11 ATOM 257 CE2 TRP 17 8.858 -30.543 -13.340 1.00 34.21 ATOM 258 CE3 TRP 17 9.253 -31.152 -15.644 1.00 31.13 ATOM 259 HE3 TRP 17 9.077 -31.776 -16.508 1.00 21.14 ATOM 260 CZ2 TRP 17 9.756 -29.482 -13.419 1.00 75.13 ATOM 261 HZ2 TRP 17 9.949 -28.841 -12.581 1.00 50.52 ATOM 262 CZ3 TRP 17 10.144 -30.098 -15.721 1.00 34.41 ATOM 263 HZ3 TRP 17 10.664 -29.901 -16.647 1.00 11.34 ATOM 264 CH2 TRP 17 10.389 -29.275 -14.614 1.00 41.54 ATOM 265 HH2 TRP 17 11.093 -28.463 -14.720 1.00 65.23 ATOM 266 C TRP 17 4.947 -34.512 -15.698 1.00 12.03 ATOM 267 O TRP 17 4.505 -33.991 -16.722 1.00 51.23 ATOM 268 N THR 18 4.937 -35.826 -15.493 1.00 40.41 ATOM 269 HN THR 18 5.313 -36.195 -14.661 1.00 38.34 ATOM 270 CA THR 18 4.396 -36.749 -16.482 1.00 60.13 ATOM 271 HA THR 18 4.826 -36.507 -17.449 1.00 34.15 ATOM 272 CB THR 18 4.752 -38.209 -16.142 1.00 42.42 ATOM 273 HB THR 18 4.188 -38.882 -16.767 1.00 62.41 ATOM 274 OG1 THR 18 4.440 -38.482 -14.772 1.00 23.52 ATOM 275 HG1 THR 18 3.491 -38.594 -14.672 1.00 70.43 ATOM 276 CG2 THR 18 6.228 -38.479 -16.395 1.00 52.44 ATOM 277 HG21 THR 18 6.827 -37.825 -15.778 1.00 73.13 ATOM 278 HG22 THR 18 6.456 -38.302 -17.436 1.00 11.32 ATOM 279 HG23 THR 18 6.451 -39.507 -16.149 1.00 25.02 ATOM 280 C THR 18 2.881 -36.619 -16.585 1.00 53.45 ATOM 281 O THR 18 2.272 -35.789 -15.910 1.00 11.15 ATOM 282 N TYR 19 2.277 -37.443 -17.434 1.00 43.14 ATOM 283 HN TYR 19 2.807 -38.073 -17.973 1.00 38.34 ATOM 284 CA TYR 19 0.832 -37.418 -17.627 1.00 62.11 ATOM 285 HA TYR 19 0.434 -36.518 -17.167 1.00 65.52 ATOM 286 CB TYR 19 0.496 -37.391 -19.119 1.00 71.40 ATOM 287 HB1 TYR 19 0.513 -38.395 -19.528 1.00 38.34 ATOM 288 HB2 TYR 19 1.249 -36.803 -19.631 1.00 12.10 ATOM 289 CG TYR 19 -0.844 -36.762 -19.427 1.00 1.45 ATOM 290 CD1 TYR 19 -1.063 -35.407 -19.209 1.00 43.33 ATOM 291 HD1 TYR 19 -0.261 -34.798 -18.815 1.00 11.24 ATOM 292 CD2 TYR 19 -1.891 -37.521 -19.933 1.00 71.22 ATOM 293 HD2 TYR 19 -1.741 -38.578 -20.108 1.00 71.44 ATOM 294 CE1 TYR 19 -2.285 -34.827 -19.488 1.00 53.11 ATOM 295 HE1 TYR 19 -2.435 -33.772 -19.312 1.00 13.13 ATOM 296 CE2 TYR 19 -3.116 -36.950 -20.216 1.00 54.43 ATOM 297 HE2 TYR 19 -3.917 -37.558 -20.610 1.00 50.33 ATOM 298 CZ TYR 19 -3.309 -35.602 -19.992 1.00 23.32 ATOM 299 OH TYR 19 -4.528 -35.029 -20.271 1.00 73.52 ATOM 300 HH TYR 19 -5.174 -35.297 -19.611 1.00 32.34 ATOM 301 C TYR 19 0.174 -38.626 -16.967 1.00 72.15 ATOM 302 O TYR 19 0.049 -39.688 -17.577 1.00 13.41 ATOM 303 N GLU 20 -0.246 -38.454 -15.718 1.00 25.33 ATOM 304 HN GLU 20 -0.124 -37.584 -15.275 1.00 38.34 ATOM 305 CA GLU 20 -0.891 -39.530 -14.975 1.00 31.14 ATOM 306 HA GLU 20 -1.046 -39.186 -13.962 1.00 3.51 ATOM 307 CB GLU 20 -2.242 -39.876 -15.605 1.00 24.31 ATOM 308 HB1 GLU 20 -2.589 -40.823 -15.208 1.00 38.34 ATOM 309 HB2 GLU 20 -2.136 -39.975 -16.673 1.00 44.23 ATOM 310 CG GLU 20 -3.327 -38.853 -15.318 1.00 53.55 ATOM 311 HG1 GLU 20 -3.356 -38.655 -14.255 1.00 38.34 ATOM 312 HG2 GLU 20 -4.277 -39.261 -15.630 1.00 61.40 ATOM 313 CD GLU 20 -3.103 -37.544 -16.051 1.00 72.02 ATOM 314 OE1 GLU 20 -3.550 -37.431 -17.212 1.00 11.30 ATOM 315 OE2 GLU 20 -2.481 -36.634 -15.465 1.00 12.12 ATOM 316 C GLU 20 -0.004 -40.771 -14.933 1.00 1.03 ATOM 317 O GLU 20 -0.442 -41.871 -15.267 1.00 54.14 ATOM 318 N GLU 21 1.246 -40.584 -14.520 1.00 31.11 ATOM 319 HN GLU 21 1.543 -39.682 -14.253 1.00 38.34 ATOM 320 CA GLU 21 2.195 -41.688 -14.436 1.00 10.02 ATOM 321 HA GLU 21 1.759 -42.547 -14.927 1.00 10.42 ATOM 322 CB GLU 21 3.507 -41.315 -15.129 1.00 24.35 ATOM 323 HB1 GLU 21 4.167 -40.827 -14.425 1.00 38.34 ATOM 324 HB2 GLU 21 3.294 -40.632 -15.937 1.00 2.44 ATOM 325 CG GLU 21 4.246 -42.507 -15.715 1.00 53.31 ATOM 326 HG1 GLU 21 4.545 -43.160 -14.908 1.00 38.34 ATOM 327 HG2 GLU 21 5.124 -42.150 -16.232 1.00 53.24 ATOM 328 CD GLU 21 3.397 -43.296 -16.693 1.00 14.41 ATOM 329 OE1 GLU 21 3.178 -44.501 -16.452 1.00 24.13 ATOM 330 OE2 GLU 21 2.950 -42.706 -17.699 1.00 60.45 ATOM 331 C GLU 21 2.464 -42.065 -12.982 1.00 12.13 ATOM 332 O GLU 21 2.407 -41.218 -12.090 1.00 74.34 ATOM 333 N GLN 22 2.756 -43.341 -12.752 1.00 1.23 ATOM 334 HN GLN 22 2.785 -43.972 -13.511 1.00 38.34 ATOM 335 CA GLN 22 3.032 -43.830 -11.406 1.00 63.12 ATOM 336 HA GLN 22 2.118 -43.729 -10.833 1.00 42.41 ATOM 337 CB GLN 22 3.444 -45.303 -11.451 1.00 0.43 ATOM 338 HB1 GLN 22 4.511 -45.387 -11.592 1.00 38.34 ATOM 339 HB2 GLN 22 2.956 -45.768 -12.299 1.00 24.32 ATOM 340 CG GLN 22 3.031 -46.087 -10.216 1.00 23.41 ATOM 341 HG1 GLN 22 3.099 -47.141 -10.441 1.00 38.34 ATOM 342 HG2 GLN 22 2.008 -45.843 -9.963 1.00 24.11 ATOM 343 CD GLN 22 3.911 -45.794 -9.017 1.00 23.02 ATOM 344 OE1 GLN 22 3.419 -45.468 -7.936 1.00 45.52 ATOM 345 NE2 GLN 22 5.221 -45.909 -9.201 1.00 63.33 ATOM 346 HE21 GLN 22 5.570 -46.180 -10.077 1.00 33.41 ATOM 347 HE22 GLN 22 5.800 -45.719 -8.435 1.00 4.23 ATOM 348 C GLN 22 4.128 -43.004 -10.741 1.00 13.45 ATOM 349 O GLN 22 5.030 -42.497 -11.408 1.00 54.20 ATOM 350 N PHE 23 4.043 -42.871 -9.421 1.00 13.00 ATOM 351 HN PHE 23 3.280 -43.270 -8.941 1.00 38.34 ATOM 352 CA PHE 23 5.026 -42.104 -8.665 1.00 21.52 ATOM 353 HA PHE 23 5.399 -41.306 -9.300 1.00 34.45 ATOM 354 CB PHE 23 4.379 -41.489 -7.423 1.00 14.43 ATOM 355 HB1 PHE 23 4.376 -42.199 -6.604 1.00 38.34 ATOM 356 HB2 PHE 23 3.348 -41.247 -7.657 1.00 10.03 ATOM 357 CG PHE 23 5.047 -40.225 -6.962 1.00 42.02 ATOM 358 CD1 PHE 23 4.689 -39.000 -7.502 1.00 3.12 ATOM 359 HD1 PHE 23 3.920 -38.954 -8.262 1.00 54.44 ATOM 360 CD2 PHE 23 6.033 -40.262 -5.990 1.00 2.05 ATOM 361 HD2 PHE 23 6.316 -41.209 -5.557 1.00 23.43 ATOM 362 CE1 PHE 23 5.304 -37.836 -7.080 1.00 54.13 ATOM 363 HE1 PHE 23 5.017 -36.887 -7.509 1.00 63.31 ATOM 364 CE2 PHE 23 6.651 -39.101 -5.564 1.00 32.03 ATOM 365 HE2 PHE 23 7.419 -39.158 -4.824 1.00 64.33 ATOM 366 CZ PHE 23 6.285 -37.886 -6.109 1.00 74.32 ATOM 367 HZ PHE 23 6.766 -36.978 -5.779 1.00 23.24 ATOM 368 C PHE 23 6.203 -42.984 -8.255 1.00 65.40 ATOM 369 O PHE 23 6.350 -43.341 -7.086 1.00 32.32 ATOM 370 N LYS 24 7.041 -43.332 -9.226 1.00 50.44 ATOM 371 HN LYS 24 6.875 -43.008 -10.144 1.00 38.34 ATOM 372 CA LYS 24 8.207 -44.169 -8.969 1.00 75.13 ATOM 373 HA LYS 24 7.886 -45.019 -8.377 1.00 52.00 ATOM 374 CB LYS 24 8.799 -44.672 -10.287 1.00 62.45 ATOM 375 HB1 LYS 24 9.473 -43.924 -10.687 1.00 38.34 ATOM 376 HB2 LYS 24 7.997 -44.812 -10.998 1.00 4.12 ATOM 377 CG LYS 24 9.573 -45.972 -10.149 1.00 43.14 ATOM 378 HG1 LYS 24 10.149 -45.948 -9.233 1.00 38.34 ATOM 379 HG2 LYS 24 10.251 -46.064 -10.985 1.00 71.10 ATOM 380 CD LYS 24 8.644 -47.173 -10.111 1.00 33.23 ATOM 381 HD1 LYS 24 7.810 -46.968 -9.452 1.00 38.34 ATOM 382 HD2 LYS 24 9.194 -48.023 -9.735 1.00 12.05 ATOM 383 CE LYS 24 8.112 -47.512 -11.495 1.00 45.21 ATOM 384 HE1 LYS 24 7.790 -46.612 -11.998 1.00 38.34 ATOM 385 HE2 LYS 24 7.266 -48.173 -11.381 1.00 65.42 ATOM 386 NZ LYS 24 9.138 -48.195 -12.331 1.00 21.10 ATOM 387 HZ1 LYS 24 8.730 -48.449 -13.253 1.00 20.11 ATOM 388 HZ2 LYS 24 9.468 -49.065 -11.863 1.00 72.25 ATOM 389 HZ3 LYS 24 9.953 -47.569 -12.490 1.00 55.31 ATOM 390 C LYS 24 9.265 -43.402 -8.184 1.00 3.12 ATOM 391 O LYS 24 10.211 -43.991 -7.662 1.00 22.11 ATOM 392 N GLN 25 9.098 -42.086 -8.103 1.00 51.24 ATOM 393 HN GLN 25 8.366 -41.653 -8.586 1.00 38.34 ATOM 394 CA GLN 25 10.040 -41.239 -7.380 1.00 74.34 ATOM 395 HA GLN 25 10.975 -41.280 -7.912 1.00 51.43 ATOM 396 CB GLN 25 9.521 -39.801 -7.318 1.00 23.52 ATOM 397 HB1 GLN 25 9.069 -39.619 -6.359 1.00 38.34 ATOM 398 HB2 GLN 25 8.776 -39.649 -8.086 1.00 1.04 ATOM 399 CG GLN 25 10.605 -38.755 -7.518 1.00 43.25 ATOM 400 HG1 GLN 25 11.290 -38.801 -6.683 1.00 38.34 ATOM 401 HG2 GLN 25 10.140 -37.780 -7.544 1.00 4.21 ATOM 402 CD GLN 25 11.376 -38.953 -8.809 1.00 3.13 ATOM 403 OE1 GLN 25 10.876 -38.660 -9.895 1.00 64.23 ATOM 404 NE2 GLN 25 12.601 -39.452 -8.696 1.00 24.42 ATOM 405 HE21 GLN 25 12.951 -39.668 -7.802 1.00 32.44 ATOM 406 HE22 GLN 25 13.115 -39.587 -9.519 1.00 53.44 ATOM 407 C GLN 25 10.276 -41.769 -5.970 1.00 33.02 ATOM 408 O GLN 25 11.414 -42.017 -5.571 1.00 24.11 ATOM 409 N LEU 26 9.193 -41.940 -5.219 1.00 4.13 ATOM 410 HN LEU 26 8.314 -41.729 -5.598 1.00 38.34 ATOM 411 CA LEU 26 9.282 -42.440 -3.851 1.00 64.32 ATOM 412 HA LEU 26 9.816 -41.709 -3.281 1.00 33.31 ATOM 413 CB LEU 26 7.883 -42.630 -3.264 1.00 55.15 ATOM 414 HB1 LEU 26 7.888 -43.507 -2.627 1.00 38.34 ATOM 415 HB2 LEU 26 7.194 -42.818 -4.078 1.00 1.53 ATOM 416 CG LEU 26 7.338 -41.465 -2.437 1.00 51.35 ATOM 417 HG LEU 26 7.299 -40.580 -3.056 1.00 31.11 ATOM 418 CD1 LEU 26 5.926 -41.764 -1.959 1.00 31.14 ATOM 419 HD11 LEU 26 5.953 -42.521 -1.187 1.00 23.04 ATOM 420 HD12 LEU 26 5.332 -42.127 -2.783 1.00 74.22 ATOM 421 HD13 LEU 26 5.482 -40.864 -1.562 1.00 53.53 ATOM 422 CD2 LEU 26 8.253 -41.175 -1.257 1.00 2.01 ATOM 423 HD21 LEU 26 8.581 -42.096 -0.793 1.00 74.04 ATOM 424 HD22 LEU 26 7.725 -40.575 -0.529 1.00 3.41 ATOM 425 HD23 LEU 26 9.100 -40.621 -1.607 1.00 72.31 ATOM 426 C LEU 26 10.049 -43.758 -3.802 1.00 44.23 ATOM 427 O LEU 26 10.673 -44.087 -2.793 1.00 65.54 ATOM 428 N TYR 27 10.000 -44.506 -4.899 1.00 1.02 ATOM 429 HN TYR 27 9.471 -44.217 -5.665 1.00 38.34 ATOM 430 CA TYR 27 10.690 -45.788 -4.981 1.00 40.21 ATOM 431 HA TYR 27 10.654 -46.265 -4.007 1.00 43.22 ATOM 432 CB TYR 27 10.000 -46.698 -5.999 1.00 10.24 ATOM 433 HB1 TYR 27 10.627 -47.563 -6.190 1.00 38.34 ATOM 434 HB2 TYR 27 9.863 -46.161 -6.920 1.00 11.25 ATOM 435 CG TYR 27 8.643 -47.190 -5.548 1.00 61.04 ATOM 436 CD1 TYR 27 8.418 -48.539 -5.304 1.00 20.24 ATOM 437 HD1 TYR 27 9.226 -49.234 -5.445 1.00 2.15 ATOM 438 CD2 TYR 27 7.586 -46.307 -5.369 1.00 10.42 ATOM 439 HD2 TYR 27 7.726 -45.259 -5.560 1.00 74.24 ATOM 440 CE1 TYR 27 7.180 -48.994 -4.893 1.00 12.22 ATOM 441 HE1 TYR 27 7.020 -50.042 -4.709 1.00 61.43 ATOM 442 CE2 TYR 27 6.345 -46.752 -4.957 1.00 31.01 ATOM 443 HE2 TYR 27 5.537 -46.049 -4.822 1.00 53.53 ATOM 444 CZ TYR 27 6.147 -48.096 -4.720 1.00 73.44 ATOM 445 OH TYR 27 4.912 -48.544 -4.311 1.00 75.23 ATOM 446 HH TYR 27 4.974 -48.930 -3.430 1.00 4.42 ATOM 447 C TYR 27 12.154 -45.595 -5.365 1.00 51.10 ATOM 448 O TYR 27 13.017 -46.380 -4.975 1.00 62.22 ATOM 449 N GLU 28 12.424 -44.543 -6.132 1.00 22.12 ATOM 450 HN GLU 28 11.700 -43.960 -6.438 1.00 38.34 ATOM 451 CA GLU 28 13.783 -44.246 -6.569 1.00 23.40 ATOM 452 HA GLU 28 14.378 -45.152 -6.521 1.00 52.03 ATOM 453 CB GLU 28 13.780 -43.746 -8.015 1.00 72.51 ATOM 454 HB1 GLU 28 14.769 -43.377 -8.266 1.00 38.34 ATOM 455 HB2 GLU 28 13.071 -42.936 -8.102 1.00 62.13 ATOM 456 CG GLU 28 13.407 -44.816 -9.028 1.00 13.10 ATOM 457 HG1 GLU 28 12.354 -45.036 -8.927 1.00 38.34 ATOM 458 HG2 GLU 28 13.982 -45.710 -8.825 1.00 15.43 ATOM 459 CD GLU 28 13.676 -44.386 -10.457 1.00 3.42 ATOM 460 OE1 GLU 28 13.236 -43.281 -10.838 1.00 11.05 ATOM 461 OE2 GLU 28 14.328 -45.154 -11.194 1.00 64.41 ATOM 462 C GLU 28 14.432 -43.206 -5.661 1.00 11.50 ATOM 463 O GLU 28 15.254 -42.403 -6.106 1.00 31.05 ATOM 464 N LEU 29 14.056 -43.224 -4.387 1.00 23.41 ATOM 465 HN LEU 29 13.430 -43.901 -4.067 1.00 38.34 ATOM 466 CA LEU 29 14.600 -42.282 -3.415 1.00 22.41 ATOM 467 HA LEU 29 14.664 -41.310 -3.879 1.00 31.41 ATOM 468 CB LEU 29 13.688 -42.200 -2.190 1.00 1.23 ATOM 469 HB1 LEU 29 14.211 -41.668 -1.402 1.00 38.34 ATOM 470 HB2 LEU 29 13.499 -43.205 -1.855 1.00 23.40 ATOM 471 CG LEU 29 12.336 -41.518 -2.404 1.00 62.21 ATOM 472 HG LEU 29 11.811 -42.055 -3.147 1.00 51.22 ATOM 473 CD1 LEU 29 11.527 -41.522 -1.117 1.00 14.53 ATOM 474 HD11 LEU 29 11.084 -40.556 -0.951 1.00 61.10 ATOM 475 HD12 LEU 29 12.159 -41.769 -0.275 1.00 65.44 ATOM 476 HD13 LEU 29 10.747 -42.259 -1.194 1.00 33.03 ATOM 477 CD2 LEU 29 12.530 -40.096 -2.911 1.00 22.44 ATOM 478 HD21 LEU 29 12.944 -40.121 -3.907 1.00 5.33 ATOM 479 HD22 LEU 29 13.203 -39.560 -2.256 1.00 74.14 ATOM 480 HD23 LEU 29 11.576 -39.584 -2.940 1.00 64.55 ATOM 481 C LEU 29 16.007 -42.691 -2.989 1.00 51.42 ATOM 482 O LEU 29 16.931 -41.878 -3.004 1.00 43.34 ATOM 483 N ASP 30 16.162 -43.955 -2.612 1.00 14.11 ATOM 484 HN ASP 30 15.409 -44.555 -2.658 1.00 38.34 ATOM 485 CA ASP 30 17.456 -44.473 -2.185 1.00 45.52 ATOM 486 HA ASP 30 18.182 -43.668 -2.215 1.00 35.24 ATOM 487 CB ASP 30 17.370 -45.008 -0.755 1.00 54.50 ATOM 488 HB1 ASP 30 16.898 -45.981 -0.758 1.00 38.34 ATOM 489 HB2 ASP 30 16.780 -44.330 -0.155 1.00 71.42 ATOM 490 CG ASP 30 18.732 -45.148 -0.106 1.00 3.14 ATOM 491 OD1 ASP 30 18.790 -45.588 1.061 1.00 24.23 ATOM 492 OD2 ASP 30 19.741 -44.816 -0.764 1.00 73.50 ATOM 493 C ASP 30 17.938 -45.573 -3.125 1.00 60.50 ATOM 494 O ASP 30 19.129 -45.679 -3.415 1.00 71.21 ATOM 495 N GLY 31 17.003 -46.393 -3.597 1.00 41.21 ATOM 496 HN GLY 31 16.077 -46.283 -3.350 1.00 38.34 ATOM 497 CA GLY 31 17.352 -47.476 -4.498 1.00 10.31 ATOM 498 HA1 GLY 31 18.207 -47.198 -5.104 1.00 38.34 ATOM 499 HA2 GLY 31 16.513 -47.656 -5.154 1.00 30.34 ATOM 500 C GLY 31 17.669 -48.763 -3.762 1.00 52.42 ATOM 501 O GLY 31 18.728 -49.356 -3.964 1.00 61.42 ATOM 502 N ASP 32 16.750 -49.194 -2.905 1.00 53.25 ATOM 503 HN ASP 32 15.916 -48.691 -2.792 1.00 38.34 ATOM 504 CA ASP 32 16.936 -50.419 -2.136 1.00 44.41 ATOM 505 HA ASP 32 17.894 -50.847 -2.406 1.00 32.44 ATOM 506 CB ASP 32 16.934 -50.110 -0.638 1.00 23.40 ATOM 507 HB1 ASP 32 16.635 -50.988 -0.078 1.00 38.34 ATOM 508 HB2 ASP 32 16.232 -49.313 -0.438 1.00 43.44 ATOM 509 CG ASP 32 18.297 -49.677 -0.134 1.00 70.12 ATOM 510 OD1 ASP 32 18.685 -50.107 0.973 1.00 40.15 ATOM 511 OD2 ASP 32 18.976 -48.909 -0.847 1.00 12.21 ATOM 512 C ASP 32 15.846 -51.435 -2.460 1.00 65.53 ATOM 513 O ASP 32 14.747 -51.087 -2.891 1.00 32.42 ATOM 514 N PRO 33 16.157 -52.723 -2.251 1.00 20.44 ATOM 515 CA PRO 33 15.218 -53.817 -2.515 1.00 34.35 ATOM 516 HA PRO 33 14.838 -53.777 -3.522 1.00 40.23 ATOM 517 CB PRO 33 16.079 -55.072 -2.350 1.00 12.04 ATOM 518 HB1 PRO 33 16.468 -55.366 -3.313 1.00 38.34 ATOM 519 HB2 PRO 33 15.499 -55.887 -1.932 1.00 40.11 ATOM 520 CG PRO 33 17.179 -54.658 -1.435 1.00 24.43 ATOM 521 HG1 PRO 33 18.060 -55.252 -1.628 1.00 38.34 ATOM 522 HG2 PRO 33 16.865 -54.773 -0.408 1.00 55.12 ATOM 523 CD PRO 33 17.449 -53.211 -1.739 1.00 40.21 ATOM 524 HD1 PRO 33 18.220 -53.121 -2.490 1.00 38.34 ATOM 525 HD2 PRO 33 17.737 -52.694 -0.839 1.00 2.43 ATOM 526 C PRO 33 14.056 -53.835 -1.527 1.00 0.12 ATOM 527 O PRO 33 13.046 -54.503 -1.751 1.00 45.12 ATOM 528 N LYS 34 14.205 -53.096 -0.432 1.00 72.15 ATOM 529 HN LYS 34 15.038 -52.605 -0.272 1.00 38.34 ATOM 530 CA LYS 34 13.168 -53.025 0.590 1.00 54.31 ATOM 531 HA LYS 34 12.531 -53.894 0.503 1.00 71.21 ATOM 532 CB LYS 34 13.797 -53.032 1.985 1.00 34.20 ATOM 533 HB1 LYS 34 13.015 -52.928 2.726 1.00 38.34 ATOM 534 HB2 LYS 34 14.460 -52.178 2.063 1.00 23.24 ATOM 535 CG LYS 34 14.612 -54.280 2.278 1.00 45.54 ATOM 536 HG1 LYS 34 15.597 -53.976 2.590 1.00 38.34 ATOM 537 HG2 LYS 34 14.700 -54.879 1.378 1.00 2.24 ATOM 538 CD LYS 34 13.962 -55.132 3.354 1.00 15.21 ATOM 539 HD1 LYS 34 14.081 -56.171 3.082 1.00 38.34 ATOM 540 HD2 LYS 34 12.906 -54.908 3.434 1.00 35.52 ATOM 541 CE LYS 34 14.617 -54.914 4.709 1.00 31.43 ATOM 542 HE1 LYS 34 14.060 -55.465 5.453 1.00 38.34 ATOM 543 HE2 LYS 34 14.591 -53.860 4.951 1.00 43.25 ATOM 544 NZ LYS 34 16.031 -55.381 4.723 1.00 50.01 ATOM 545 HZ1 LYS 34 16.400 -55.353 5.695 1.00 32.22 ATOM 546 HZ2 LYS 34 16.624 -54.770 4.130 1.00 51.40 ATOM 547 HZ3 LYS 34 16.098 -56.360 4.372 1.00 45.24 ATOM 548 C LYS 34 12.314 -51.773 0.412 1.00 31.24 ATOM 549 O LYS 34 11.241 -51.654 1.004 1.00 53.44 ATOM 550 N ARG 35 12.797 -50.844 -0.406 1.00 72.11 ATOM 551 HN ARG 35 13.665 -50.980 -0.841 1.00 38.34 ATOM 552 CA ARG 35 12.077 -49.602 -0.661 1.00 64.02 ATOM 553 HA ARG 35 12.038 -49.055 0.271 1.00 52.13 ATOM 554 CB ARG 35 12.808 -48.772 -1.718 1.00 62.35 ATOM 555 HB1 ARG 35 12.383 -48.942 -2.697 1.00 38.34 ATOM 556 HB2 ARG 35 13.839 -49.092 -1.749 1.00 53.44 ATOM 557 CG ARG 35 12.767 -47.276 -1.454 1.00 23.21 ATOM 558 HG1 ARG 35 12.406 -47.085 -0.451 1.00 38.34 ATOM 559 HG2 ARG 35 12.092 -46.821 -2.165 1.00 22.01 ATOM 560 CD ARG 35 14.140 -46.643 -1.620 1.00 21.45 ATOM 561 HD1 ARG 35 14.177 -46.204 -2.601 1.00 38.34 ATOM 562 HD2 ARG 35 14.918 -47.387 -1.531 1.00 63.20 ATOM 563 NE ARG 35 14.384 -45.598 -0.630 1.00 13.44 ATOM 564 HE ARG 35 14.403 -44.678 -0.939 1.00 54.01 ATOM 565 CZ ARG 35 14.566 -45.838 0.664 1.00 33.20 ATOM 566 NH1 ARG 35 14.532 -47.082 1.121 1.00 20.25 ATOM 567 HH11 ARG 35 14.360 -47.858 0.522 1.00 20.45 ATOM 568 HH12 ARG 35 14.735 -47.253 2.074 1.00 55.31 ATOM 569 NH2 ARG 35 14.782 -44.833 1.503 1.00 63.21 ATOM 570 HH21 ARG 35 14.796 -43.891 1.162 1.00 74.13 ATOM 571 HH22 ARG 35 14.969 -45.014 2.465 1.00 30.21 ATOM 572 C ARG 35 10.650 -49.885 -1.119 1.00 15.01 ATOM 573 O ARG 35 9.686 -49.536 -0.436 1.00 22.51 ATOM 574 N LYS 36 10.520 -50.519 -2.280 1.00 5.34 ATOM 575 HN LYS 36 11.319 -50.728 -2.789 1.00 38.34 ATOM 576 CA LYS 36 9.211 -50.850 -2.830 1.00 4.23 ATOM 577 HA LYS 36 8.674 -49.932 -2.972 1.00 30.10 ATOM 578 CB LYS 36 9.366 -51.563 -4.175 1.00 1.01 ATOM 579 HB1 LYS 36 10.112 -51.062 -4.765 1.00 38.34 ATOM 580 HB2 LYS 36 8.425 -51.504 -4.697 1.00 65.34 ATOM 581 CG LYS 36 9.718 -53.035 -4.046 1.00 54.00 ATOM 582 HG1 LYS 36 9.640 -53.491 -5.021 1.00 38.34 ATOM 583 HG2 LYS 36 9.028 -53.530 -3.382 1.00 22.05 ATOM 584 CD LYS 36 11.133 -53.227 -3.526 1.00 75.04 ATOM 585 HD1 LYS 36 11.326 -54.288 -3.472 1.00 38.34 ATOM 586 HD2 LYS 36 11.235 -52.806 -2.551 1.00 13.44 ATOM 587 CE LYS 36 12.159 -52.604 -4.460 1.00 54.23 ATOM 588 HE1 LYS 36 13.137 -52.902 -4.136 1.00 38.34 ATOM 589 HE2 LYS 36 12.090 -51.533 -4.420 1.00 2.14 ATOM 590 NZ LYS 36 11.969 -53.048 -5.869 1.00 33.22 ATOM 591 HZ1 LYS 36 11.816 -54.078 -5.917 1.00 73.02 ATOM 592 HZ2 LYS 36 12.816 -52.816 -6.426 1.00 14.14 ATOM 593 HZ3 LYS 36 11.153 -52.564 -6.295 1.00 44.11 ATOM 594 C LYS 36 8.422 -51.728 -1.864 1.00 70.44 ATOM 595 O LYS 36 7.193 -51.760 -1.904 1.00 54.32 ATOM 596 N GLU 37 9.137 -52.439 -0.998 1.00 43.00 ATOM 597 HN GLU 37 10.109 -52.408 -1.022 1.00 38.34 ATOM 598 CA GLU 37 8.502 -53.317 -0.023 1.00 31.05 ATOM 599 HA GLU 37 7.743 -53.898 -0.534 1.00 11.24 ATOM 600 CB GLU 37 9.535 -54.260 0.597 1.00 4.25 ATOM 601 HB1 GLU 37 9.280 -54.439 1.636 1.00 38.34 ATOM 602 HB2 GLU 37 10.499 -53.801 0.562 1.00 64.04 ATOM 603 CG GLU 37 9.637 -55.601 -0.109 1.00 71.02 ATOM 604 HG1 GLU 37 10.570 -55.631 -0.653 1.00 38.34 ATOM 605 HG2 GLU 37 8.818 -55.719 -0.807 1.00 24.30 ATOM 606 CD GLU 37 9.612 -56.772 0.854 1.00 12.45 ATOM 607 OE1 GLU 37 8.641 -57.555 0.812 1.00 74.11 ATOM 608 OE2 GLU 37 10.564 -56.904 1.651 1.00 5.33 ATOM 609 C GLU 37 7.815 -52.507 1.073 1.00 51.52 ATOM 610 O GLU 37 6.645 -52.731 1.385 1.00 3.45 ATOM 611 N PHE 38 8.551 -51.564 1.653 1.00 55.02 ATOM 612 HN PHE 38 9.481 -51.427 1.357 1.00 38.34 ATOM 613 CA PHE 38 8.014 -50.721 2.714 1.00 12.55 ATOM 614 HA PHE 38 7.616 -51.363 3.489 1.00 24.23 ATOM 615 CB PHE 38 9.123 -49.855 3.317 1.00 34.53 ATOM 616 HB1 PHE 38 9.604 -49.308 2.518 1.00 38.34 ATOM 617 HB2 PHE 38 9.855 -50.499 3.788 1.00 11.20 ATOM 618 CG PHE 38 8.626 -48.867 4.334 1.00 63.51 ATOM 619 CD1 PHE 38 8.167 -47.621 3.941 1.00 12.20 ATOM 620 HD1 PHE 38 8.169 -47.362 2.897 1.00 24.33 ATOM 621 CD2 PHE 38 8.620 -49.185 5.683 1.00 71.35 ATOM 622 HD2 PHE 38 8.975 -50.154 6.006 1.00 62.03 ATOM 623 CE1 PHE 38 7.709 -46.709 4.874 1.00 60.40 ATOM 624 HE1 PHE 38 7.354 -45.740 4.554 1.00 42.11 ATOM 625 CE2 PHE 38 8.163 -48.278 6.620 1.00 71.22 ATOM 626 HE2 PHE 38 8.161 -48.540 7.666 1.00 15.30 ATOM 627 CZ PHE 38 7.708 -47.038 6.215 1.00 21.33 ATOM 628 HZ PHE 38 7.343 -46.333 6.937 1.00 64.14 ATOM 629 C PHE 38 6.890 -49.833 2.188 1.00 0.30 ATOM 630 O PHE 38 5.871 -49.641 2.853 1.00 4.25 ATOM 631 N LEU 39 7.083 -49.293 0.990 1.00 51.14 ATOM 632 HN LEU 39 7.923 -49.474 0.504 1.00 38.34 ATOM 633 CA LEU 39 6.087 -48.424 0.372 1.00 35.34 ATOM 634 HA LEU 39 5.817 -47.656 1.081 1.00 14.41 ATOM 635 CB LEU 39 6.660 -47.773 -0.887 1.00 54.52 ATOM 636 HB1 LEU 39 5.885 -47.204 -1.361 1.00 38.34 ATOM 637 HB2 LEU 39 6.961 -48.562 -1.563 1.00 73.02 ATOM 638 CG LEU 39 7.861 -46.850 -0.678 1.00 52.43 ATOM 639 HG LEU 39 8.703 -47.430 -0.346 1.00 43.14 ATOM 640 CD1 LEU 39 8.246 -46.171 -1.984 1.00 22.43 ATOM 641 HD11 LEU 39 7.408 -45.600 -2.359 1.00 21.41 ATOM 642 HD12 LEU 39 8.525 -46.920 -2.712 1.00 14.03 ATOM 643 HD13 LEU 39 9.081 -45.514 -1.813 1.00 21.52 ATOM 644 CD2 LEU 39 7.557 -45.813 0.394 1.00 60.41 ATOM 645 HD21 LEU 39 6.675 -45.252 0.118 1.00 65.32 ATOM 646 HD22 LEU 39 8.394 -45.134 0.489 1.00 73.12 ATOM 647 HD23 LEU 39 7.394 -46.294 1.339 1.00 12.05 ATOM 648 C LEU 39 4.823 -49.206 0.025 1.00 44.42 ATOM 649 O LEU 39 3.730 -48.873 0.482 1.00 10.42 ATOM 650 N ASP 40 4.982 -50.247 -0.785 1.00 2.32 ATOM 651 HN ASP 40 5.885 -50.461 -1.123 1.00 38.34 ATOM 652 CA ASP 40 3.855 -51.078 -1.191 1.00 61.13 ATOM 653 HA ASP 40 3.196 -50.471 -1.796 1.00 70.24 ATOM 654 CB ASP 40 4.343 -52.264 -2.024 1.00 61.25 ATOM 655 HB1 ASP 40 5.001 -52.877 -1.424 1.00 38.34 ATOM 656 HB2 ASP 40 4.888 -51.892 -2.879 1.00 23.41 ATOM 657 CG ASP 40 3.203 -53.129 -2.525 1.00 15.51 ATOM 658 OD1 ASP 40 3.480 -54.198 -3.108 1.00 15.11 ATOM 659 OD2 ASP 40 2.033 -52.736 -2.333 1.00 31.13 ATOM 660 C ASP 40 3.083 -51.579 0.025 1.00 14.32 ATOM 661 O ASP 40 1.860 -51.454 0.091 1.00 55.13 ATOM 662 N ASP 41 3.804 -52.146 0.985 1.00 22.04 ATOM 663 HN ASP 41 4.783 -52.218 0.875 1.00 38.34 ATOM 664 CA ASP 41 3.187 -52.666 2.200 1.00 11.21 ATOM 665 HA ASP 41 2.433 -53.388 1.907 1.00 11.40 ATOM 666 CB ASP 41 4.233 -53.363 3.071 1.00 10.02 ATOM 667 HB1 ASP 41 4.906 -52.628 3.492 1.00 38.34 ATOM 668 HB2 ASP 41 4.799 -54.048 2.457 1.00 42.25 ATOM 669 CG ASP 41 3.609 -54.152 4.206 1.00 41.42 ATOM 670 OD1 ASP 41 4.364 -54.649 5.067 1.00 33.21 ATOM 671 OD2 ASP 41 2.366 -54.272 4.232 1.00 41.11 ATOM 672 C ASP 41 2.514 -51.547 2.989 1.00 74.10 ATOM 673 O ASP 41 1.439 -51.736 3.560 1.00 13.32 ATOM 674 N LEU 42 3.153 -50.383 3.017 1.00 12.15 ATOM 675 HN LEU 42 4.019 -50.291 2.554 1.00 38.34 ATOM 676 CA LEU 42 2.616 -49.233 3.738 1.00 65.15 ATOM 677 HA LEU 42 2.497 -49.512 4.776 1.00 51.25 ATOM 678 CB LEU 42 3.588 -48.055 3.653 1.00 41.34 ATOM 679 HB1 LEU 42 3.809 -47.889 2.612 1.00 38.34 ATOM 680 HB2 LEU 42 4.503 -48.343 4.150 1.00 31.44 ATOM 681 CG LEU 42 3.104 -46.740 4.265 1.00 52.12 ATOM 682 HG LEU 42 2.057 -46.608 4.077 1.00 12.21 ATOM 683 CD1 LEU 42 3.300 -46.749 5.773 1.00 60.11 ATOM 684 HD11 LEU 42 2.862 -45.860 6.197 1.00 4.45 ATOM 685 HD12 LEU 42 4.355 -46.779 6.006 1.00 12.43 ATOM 686 HD13 LEU 42 2.815 -47.618 6.198 1.00 24.14 ATOM 687 CD2 LEU 42 3.831 -45.560 3.638 1.00 44.33 ATOM 688 HD21 LEU 42 3.657 -45.553 2.571 1.00 2.11 ATOM 689 HD22 LEU 42 4.893 -45.642 3.828 1.00 32.04 ATOM 690 HD23 LEU 42 3.461 -44.638 4.064 1.00 50.21 ATOM 691 C LEU 42 1.256 -48.827 3.179 1.00 45.20 ATOM 692 O LEU 42 0.292 -48.661 3.925 1.00 14.44 ATOM 693 N PHE 43 1.187 -48.670 1.861 1.00 34.41 ATOM 694 HN PHE 43 1.991 -48.847 1.319 1.00 38.34 ATOM 695 CA PHE 43 -0.056 -48.285 1.202 1.00 44.12 ATOM 696 HA PHE 43 -0.395 -47.358 1.631 1.00 23.24 ATOM 697 CB PHE 43 0.181 -48.074 -0.295 1.00 72.11 ATOM 698 HB1 PHE 43 -0.675 -47.566 -0.715 1.00 38.34 ATOM 699 HB2 PHE 43 0.291 -49.039 -0.779 1.00 22.00 ATOM 700 CG PHE 43 1.400 -47.251 -0.599 1.00 60.45 ATOM 701 CD1 PHE 43 1.706 -46.135 0.162 1.00 65.12 ATOM 702 HD1 PHE 43 1.076 -45.862 0.987 1.00 64.43 ATOM 703 CD2 PHE 43 2.239 -47.594 -1.647 1.00 64.23 ATOM 704 HD2 PHE 43 2.014 -48.463 -2.250 1.00 23.10 ATOM 705 CE1 PHE 43 2.828 -45.376 -0.115 1.00 51.03 ATOM 706 HE1 PHE 43 3.055 -44.508 0.486 1.00 45.13 ATOM 707 CE2 PHE 43 3.362 -46.839 -1.929 1.00 23.32 ATOM 708 HE2 PHE 43 4.003 -47.108 -2.744 1.00 2.55 ATOM 709 CZ PHE 43 3.656 -45.728 -1.163 1.00 22.12 ATOM 710 HZ PHE 43 4.533 -45.137 -1.382 1.00 1.04 ATOM 711 C PHE 43 -1.135 -49.343 1.414 1.00 42.42 ATOM 712 O PHE 43 -2.251 -49.031 1.828 1.00 75.32 ATOM 713 N SER 44 -0.793 -50.594 1.126 1.00 23.41 ATOM 714 HN SER 44 0.120 -50.782 0.799 1.00 38.34 ATOM 715 CA SER 44 -1.733 -51.698 1.281 1.00 63.54 ATOM 716 HA SER 44 -2.604 -51.487 0.674 1.00 72.40 ATOM 717 CB SER 44 -1.101 -53.005 0.797 1.00 21.33 ATOM 718 HB1 SER 44 -0.573 -53.493 1.607 1.00 38.34 ATOM 719 HB2 SER 44 -0.401 -52.792 0.000 1.00 54.21 ATOM 720 OG SER 44 -2.085 -53.892 0.295 1.00 72.33 ATOM 721 HG SER 44 -2.324 -53.638 -0.601 1.00 20.14 ATOM 722 C SER 44 -2.171 -51.840 2.735 1.00 3.52 ATOM 723 O SER 44 -3.272 -52.309 3.021 1.00 32.41 ATOM 724 N PHE 45 -1.300 -51.429 3.651 1.00 22.12 ATOM 725 HN PHE 45 -0.421 -51.083 3.374 1.00 38.34 ATOM 726 CA PHE 45 -1.595 -51.510 5.077 1.00 62.00 ATOM 727 HA PHE 45 -1.994 -52.495 5.289 1.00 62.42 ATOM 728 CB PHE 45 -0.317 -51.315 5.896 1.00 61.14 ATOM 729 HB1 PHE 45 0.245 -50.489 5.485 1.00 38.34 ATOM 730 HB2 PHE 45 0.284 -52.212 5.821 1.00 1.34 ATOM 731 CG PHE 45 -0.573 -51.040 7.350 1.00 63.31 ATOM 732 CD1 PHE 45 -0.777 -52.082 8.240 1.00 72.41 ATOM 733 HD1 PHE 45 -0.752 -53.103 7.883 1.00 74.35 ATOM 734 CD2 PHE 45 -0.608 -49.740 7.827 1.00 11.01 ATOM 735 HD2 PHE 45 -0.451 -48.916 7.145 1.00 22.25 ATOM 736 CE1 PHE 45 -1.014 -51.832 9.578 1.00 24.14 ATOM 737 HE1 PHE 45 -1.177 -52.652 10.254 1.00 1.11 ATOM 738 CE2 PHE 45 -0.844 -49.484 9.165 1.00 43.52 ATOM 739 HE2 PHE 45 -0.872 -48.478 9.505 1.00 30.23 ATOM 740 CZ PHE 45 -1.046 -50.531 10.042 1.00 63.23 ATOM 741 HZ PHE 45 -1.231 -50.333 11.088 1.00 65.11 ATOM 742 C PHE 45 -2.633 -50.466 5.478 1.00 71.23 ATOM 743 O PHE 45 -3.703 -50.802 5.985 1.00 23.31 ATOM 744 N MET 46 -2.309 -49.198 5.246 1.00 24.42 ATOM 745 HN MET 46 -1.421 -49.000 4.871 1.00 38.34 ATOM 746 CA MET 46 -3.213 -48.105 5.582 1.00 10.23 ATOM 747 HA MET 46 -3.457 -48.179 6.634 1.00 72.45 ATOM 748 CB MET 46 -2.534 -46.757 5.330 1.00 31.31 ATOM 749 HB1 MET 46 -1.709 -46.673 6.024 1.00 38.34 ATOM 750 HB2 MET 46 -3.222 -45.964 5.525 1.00 61.22 ATOM 751 CG MET 46 -1.998 -46.602 3.916 1.00 12.11 ATOM 752 HG1 MET 46 -2.775 -46.209 3.287 1.00 38.34 ATOM 753 HG2 MET 46 -1.689 -47.546 3.530 1.00 32.34 ATOM 754 SD MET 46 -0.583 -45.488 3.828 1.00 22.41 ATOM 755 CE MET 46 -1.292 -43.986 4.497 1.00 52.23 ATOM 756 HE1 MET 46 -2.319 -43.903 4.194 1.00 2.11 ATOM 757 HE2 MET 46 -0.756 -43.152 4.121 1.00 35.32 ATOM 758 HE3 MET 46 -1.237 -44.005 5.571 1.00 53.24 ATOM 759 C MET 46 -4.502 -48.197 4.772 1.00 33.34 ATOM 760 O MET 46 -5.598 -48.059 5.316 1.00 23.40 ATOM 761 N GLN 47 -4.363 -48.431 3.471 1.00 12.04 ATOM 762 HN GLN 47 -3.470 -48.573 3.094 1.00 38.34 ATOM 763 CA GLN 47 -5.518 -48.540 2.588 1.00 61.53 ATOM 764 HA GLN 47 -5.987 -47.571 2.531 1.00 33.15 ATOM 765 CB GLN 47 -5.075 -48.961 1.185 1.00 32.12 ATOM 766 HB1 GLN 47 -4.430 -49.822 1.274 1.00 38.34 ATOM 767 HB2 GLN 47 -4.516 -48.150 0.741 1.00 42.23 ATOM 768 CG GLN 47 -6.229 -49.341 0.272 1.00 71.44 ATOM 769 HG1 GLN 47 -7.118 -48.796 0.570 1.00 38.34 ATOM 770 HG2 GLN 47 -6.411 -50.401 0.372 1.00 11.40 ATOM 771 CD GLN 47 -5.942 -49.041 -1.186 1.00 75.05 ATOM 772 OE1 GLN 47 -4.843 -49.293 -1.680 1.00 22.43 ATOM 773 NE2 GLN 47 -6.933 -48.499 -1.885 1.00 50.03 ATOM 774 HE21 GLN 47 -7.792 -48.318 -1.441 1.00 4.42 ATOM 775 HE22 GLN 47 -6.766 -48.298 -2.829 1.00 51.25 ATOM 776 C GLN 47 -6.530 -49.541 3.136 1.00 61.22 ATOM 777 O GLN 47 -7.736 -49.392 2.939 1.00 70.01 ATOM 778 N LYS 48 -6.031 -50.562 3.825 1.00 73.24 ATOM 779 HN LYS 48 -5.056 -50.659 3.925 1.00 38.34 ATOM 780 CA LYS 48 -6.891 -51.588 4.403 1.00 60.22 ATOM 781 HA LYS 48 -7.656 -51.845 3.677 1.00 51.42 ATOM 782 CB LYS 48 -6.075 -52.841 4.731 1.00 52.22 ATOM 783 HB1 LYS 48 -6.623 -53.453 5.438 1.00 38.34 ATOM 784 HB2 LYS 48 -5.144 -52.540 5.185 1.00 31.44 ATOM 785 CG LYS 48 -5.770 -53.703 3.518 1.00 43.51 ATOM 786 HG1 LYS 48 -5.464 -53.069 2.697 1.00 38.34 ATOM 787 HG2 LYS 48 -6.669 -54.236 3.241 1.00 51.52 ATOM 788 CD LYS 48 -4.678 -54.717 3.815 1.00 32.03 ATOM 789 HD1 LYS 48 -5.090 -55.497 4.439 1.00 38.34 ATOM 790 HD2 LYS 48 -3.862 -54.236 4.336 1.00 23.24 ATOM 791 CE LYS 48 -4.140 -55.346 2.540 1.00 64.34 ATOM 792 HE1 LYS 48 -3.370 -56.057 2.802 1.00 38.34 ATOM 793 HE2 LYS 48 -3.717 -54.571 1.923 1.00 42.33 ATOM 794 NZ LYS 48 -5.207 -56.047 1.773 1.00 20.24 ATOM 795 HZ1 LYS 48 -5.703 -56.734 2.380 1.00 33.54 ATOM 796 HZ2 LYS 48 -4.786 -56.558 0.971 1.00 31.44 ATOM 797 HZ3 LYS 48 -5.897 -55.364 1.402 1.00 43.41 ATOM 798 C LYS 48 -7.581 -51.074 5.662 1.00 2.22 ATOM 799 O LYS 48 -8.715 -51.451 5.958 1.00 24.34 ATOM 800 N ARG 49 -6.890 -50.210 6.399 1.00 51.22 ATOM 801 HN ARG 49 -5.981 -49.961 6.131 1.00 38.34 ATOM 802 CA ARG 49 -7.437 -49.644 7.626 1.00 40.40 ATOM 803 HA ARG 49 -7.924 -50.436 8.182 1.00 34.30 ATOM 804 CB ARG 49 -6.315 -49.062 8.489 1.00 55.15 ATOM 805 HB1 ARG 49 -5.369 -49.499 8.190 1.00 38.34 ATOM 806 HB2 ARG 49 -6.511 -49.328 9.515 1.00 42.52 ATOM 807 CG ARG 49 -6.203 -47.549 8.401 1.00 3.45 ATOM 808 HG1 ARG 49 -7.057 -47.101 8.894 1.00 38.34 ATOM 809 HG2 ARG 49 -6.190 -47.265 7.376 1.00 63.14 ATOM 810 CD ARG 49 -4.934 -47.045 9.071 1.00 64.11 ATOM 811 HD1 ARG 49 -4.295 -46.618 8.319 1.00 38.34 ATOM 812 HD2 ARG 49 -4.402 -47.868 9.535 1.00 23.41 ATOM 813 NE ARG 49 -5.213 -46.023 10.076 1.00 73.01 ATOM 814 HE ARG 49 -5.083 -45.085 9.813 1.00 2.54 ATOM 815 CZ ARG 49 -5.628 -46.298 11.308 1.00 42.53 ATOM 816 NH1 ARG 49 -5.809 -47.556 11.685 1.00 53.43 ATOM 817 HH11 ARG 49 -5.640 -48.315 11.070 1.00 52.12 ATOM 818 HH12 ARG 49 -6.125 -47.750 12.616 1.00 13.33 ATOM 819 NH2 ARG 49 -5.861 -45.312 12.165 1.00 32.44 ATOM 820 HH21 ARG 49 -5.725 -44.359 11.886 1.00 53.32 ATOM 821 HH22 ARG 49 -6.174 -45.516 13.095 1.00 52.10 ATOM 822 C ARG 49 -8.467 -48.562 7.314 1.00 44.42 ATOM 823 O ARG 49 -9.244 -48.162 8.180 1.00 41.35 ATOM 824 N GLY 50 -8.465 -48.091 6.070 1.00 20.21 ATOM 825 HN GLY 50 -7.823 -48.418 5.410 1.00 38.34 ATOM 826 CA GLY 50 -9.402 -47.060 5.666 1.00 52.40 ATOM 827 HA1 GLY 50 -10.179 -46.932 6.410 1.00 38.34 ATOM 828 HA2 GLY 50 -9.866 -47.369 4.741 1.00 5.34 ATOM 829 C GLY 50 -8.728 -45.722 5.434 1.00 63.23 ATOM 830 O GLY 50 -9.279 -44.673 5.769 1.00 62.02 ATOM 831 N THR 51 -7.529 -45.757 4.859 1.00 33.21 ATOM 832 HN THR 51 -7.136 -46.621 4.599 1.00 38.34 ATOM 833 CA THR 51 -6.777 -44.539 4.585 1.00 71.40 ATOM 834 HA THR 51 -7.451 -43.801 4.167 1.00 72.22 ATOM 835 CB THR 51 -6.184 -43.943 5.875 1.00 24.23 ATOM 836 HB THR 51 -6.997 -43.614 6.507 1.00 34.44 ATOM 837 OG1 THR 51 -5.353 -42.820 5.559 1.00 33.24 ATOM 838 HG1 THR 51 -5.302 -42.232 6.317 1.00 13.21 ATOM 839 CG2 THR 51 -5.371 -44.985 6.629 1.00 61.21 ATOM 840 HG21 THR 51 -5.334 -45.915 6.097 1.00 13.24 ATOM 841 HG22 THR 51 -5.829 -45.126 7.584 1.00 44.30 ATOM 842 HG23 THR 51 -4.365 -44.618 6.778 1.00 22.24 ATOM 843 C THR 51 -5.649 -44.801 3.594 1.00 61.31 ATOM 844 O THR 51 -4.469 -44.808 3.947 1.00 54.03 ATOM 845 N PRO 52 -6.016 -45.022 2.323 1.00 50.11 ATOM 846 CA PRO 52 -5.048 -45.287 1.254 1.00 34.21 ATOM 847 HA PRO 52 -4.387 -46.102 1.511 1.00 64.31 ATOM 848 CB PRO 52 -5.930 -45.693 0.070 1.00 0.41 ATOM 849 HB1 PRO 52 -6.034 -46.744 0.056 1.00 38.34 ATOM 850 HB2 PRO 52 -5.509 -45.362 -0.870 1.00 54.44 ATOM 851 CG PRO 52 -7.244 -45.042 0.336 1.00 62.50 ATOM 852 HG1 PRO 52 -8.037 -45.615 -0.121 1.00 38.34 ATOM 853 HG2 PRO 52 -7.239 -44.033 -0.050 1.00 44.50 ATOM 854 CD PRO 52 -7.404 -45.029 1.831 1.00 10.31 ATOM 855 HD1 PRO 52 -7.928 -45.913 2.163 1.00 38.34 ATOM 856 HD2 PRO 52 -7.932 -44.139 2.136 1.00 32.31 ATOM 857 C PRO 52 -4.219 -44.056 0.904 1.00 74.20 ATOM 858 O PRO 52 -4.320 -43.020 1.561 1.00 54.11 ATOM 859 N VAL 53 -3.400 -44.176 -0.136 1.00 24.45 ATOM 860 HN VAL 53 -3.350 -45.028 -0.627 1.00 38.34 ATOM 861 CA VAL 53 -2.554 -43.073 -0.574 1.00 10.40 ATOM 862 HA VAL 53 -2.676 -42.237 0.110 1.00 11.53 ATOM 863 CB VAL 53 -1.065 -43.467 -0.562 1.00 11.15 ATOM 864 HB VAL 53 -0.926 -44.306 -1.230 1.00 4.23 ATOM 865 CG1 VAL 53 -0.204 -42.316 -1.059 1.00 24.05 ATOM 866 HG11 VAL 53 0.842 -42.552 -0.906 1.00 4.12 ATOM 867 HG12 VAL 53 -0.445 -41.413 -0.518 1.00 44.53 ATOM 868 HG13 VAL 53 -0.373 -42.158 -2.114 1.00 62.44 ATOM 869 CG2 VAL 53 -0.640 -43.898 0.834 1.00 12.21 ATOM 870 HG21 VAL 53 -1.146 -43.307 1.577 1.00 34.55 ATOM 871 HG22 VAL 53 0.430 -43.787 0.955 1.00 12.33 ATOM 872 HG23 VAL 53 -0.905 -44.935 0.969 1.00 21.40 ATOM 873 C VAL 53 -2.935 -42.612 -1.977 1.00 22.15 ATOM 874 O VAL 53 -2.656 -43.294 -2.962 1.00 2.03 ATOM 875 N ASN 54 -3.574 -41.450 -2.059 1.00 2.44 ATOM 876 HN ASN 54 -3.759 -40.937 -1.236 1.00 38.34 ATOM 877 CA ASN 54 -3.994 -40.897 -3.341 1.00 65.04 ATOM 878 HA ASN 54 -4.150 -41.712 -4.041 1.00 42.30 ATOM 879 CB ASN 54 -5.304 -40.124 -3.183 1.00 12.21 ATOM 880 HB1 ASN 54 -5.403 -39.403 -3.986 1.00 38.34 ATOM 881 HB2 ASN 54 -5.299 -39.595 -2.240 1.00 21.31 ATOM 882 CG ASN 54 -6.519 -41.030 -3.226 1.00 31.44 ATOM 883 OD1 ASN 54 -7.056 -41.317 -4.296 1.00 13.14 ATOM 884 ND2 ASN 54 -6.958 -41.486 -2.058 1.00 72.32 ATOM 885 HD21 ASN 54 -6.488 -41.224 -1.234 1.00 64.20 ATOM 886 HD22 ASN 54 -7.742 -42.073 -2.064 1.00 3.12 ATOM 887 C ASN 54 -2.917 -39.982 -3.918 1.00 71.51 ATOM 888 O ASN 54 -2.447 -40.189 -5.037 1.00 22.11 ATOM 889 N ARG 55 -2.531 -38.972 -3.146 1.00 54.32 ATOM 890 HN ARG 55 -2.944 -38.848 -2.260 1.00 38.34 ATOM 891 CA ARG 55 -1.511 -38.025 -3.580 1.00 70.12 ATOM 892 HA ARG 55 -1.070 -38.370 -4.509 1.00 42.32 ATOM 893 CB ARG 55 -2.130 -36.646 -3.813 1.00 15.23 ATOM 894 HB1 ARG 55 -1.335 -35.911 -3.890 1.00 38.34 ATOM 895 HB2 ARG 55 -2.756 -36.397 -2.968 1.00 11.22 ATOM 896 CG ARG 55 -2.977 -36.563 -5.072 1.00 55.10 ATOM 897 HG1 ARG 55 -3.908 -37.084 -4.898 1.00 38.34 ATOM 898 HG2 ARG 55 -2.447 -37.032 -5.891 1.00 24.02 ATOM 899 CD ARG 55 -3.274 -35.120 -5.450 1.00 61.11 ATOM 900 HD1 ARG 55 -2.489 -34.765 -6.101 1.00 38.34 ATOM 901 HD2 ARG 55 -3.298 -34.513 -4.552 1.00 62.44 ATOM 902 NE ARG 55 -4.555 -34.987 -6.138 1.00 51.23 ATOM 903 HE ARG 55 -5.021 -35.812 -6.410 1.00 15.33 ATOM 904 CZ ARG 55 -5.121 -33.818 -6.419 1.00 4.05 ATOM 905 NH1 ARG 55 -4.521 -32.688 -6.072 1.00 0.54 ATOM 906 HH11 ARG 55 -3.642 -32.688 -5.600 1.00 64.35 ATOM 907 HH12 ARG 55 -4.956 -31.811 -6.287 1.00 14.41 ATOM 908 NH2 ARG 55 -6.288 -33.778 -7.048 1.00 33.44 ATOM 909 HH21 ARG 55 -6.747 -34.629 -7.313 1.00 12.41 ATOM 910 HH22 ARG 55 -6.716 -32.897 -7.260 1.00 31.52 ATOM 911 C ARG 55 -0.390 -37.924 -2.550 1.00 41.00 ATOM 912 O ARG 55 -0.521 -38.409 -1.426 1.00 13.12 ATOM 913 N ILE 56 0.711 -37.292 -2.942 1.00 2.12 ATOM 914 HN ILE 56 0.767 -36.925 -3.854 1.00 38.34 ATOM 915 CA ILE 56 1.854 -37.127 -2.052 1.00 62.14 ATOM 916 HA ILE 56 1.605 -37.583 -1.106 1.00 54.42 ATOM 917 CB ILE 56 3.101 -37.846 -2.599 1.00 64.52 ATOM 918 HB ILE 56 3.372 -37.386 -3.541 1.00 23.01 ATOM 919 CG1 ILE 56 2.801 -39.329 -2.832 1.00 0.41 ATOM 920 HG11 ILE 56 1.858 -39.436 -3.352 1.00 38.34 ATOM 921 HG12 ILE 56 2.736 -39.842 -1.883 1.00 1.33 ATOM 922 CG2 ILE 56 4.271 -37.682 -1.640 1.00 51.43 ATOM 923 HG21 ILE 56 4.053 -38.183 -0.710 1.00 40.23 ATOM 924 HG22 ILE 56 4.468 -36.638 -1.450 1.00 51.43 ATOM 925 HG23 ILE 56 5.154 -38.123 -2.075 1.00 40.12 ATOM 926 CD1 ILE 56 3.847 -40.033 -3.666 1.00 65.44 ATOM 927 HD11 ILE 56 4.838 -39.759 -3.347 1.00 21.42 ATOM 928 HD12 ILE 56 3.710 -39.747 -4.692 1.00 62.24 ATOM 929 HD13 ILE 56 3.715 -41.099 -3.575 1.00 24.42 ATOM 930 C ILE 56 2.182 -35.652 -1.846 1.00 34.24 ATOM 931 O ILE 56 2.253 -34.868 -2.792 1.00 3.00 ATOM 932 N PRO 57 2.387 -35.264 -0.578 1.00 43.23 ATOM 933 CA PRO 57 2.713 -33.881 -0.217 1.00 43.01 ATOM 934 HA PRO 57 1.982 -33.190 -0.616 1.00 21.32 ATOM 935 CB PRO 57 2.627 -33.884 1.311 1.00 1.21 ATOM 936 HB1 PRO 57 1.637 -33.579 1.595 1.00 38.34 ATOM 937 HB2 PRO 57 3.354 -33.206 1.743 1.00 15.25 ATOM 938 CG PRO 57 2.889 -35.297 1.703 1.00 73.23 ATOM 939 HG1 PRO 57 2.404 -35.524 2.636 1.00 38.34 ATOM 940 HG2 PRO 57 3.953 -35.461 1.786 1.00 75.05 ATOM 941 CD PRO 57 2.318 -36.145 0.600 1.00 40.15 ATOM 942 HD1 PRO 57 1.294 -36.409 0.823 1.00 38.34 ATOM 943 HD2 PRO 57 2.911 -37.025 0.481 1.00 60.43 ATOM 944 C PRO 57 4.112 -33.478 -0.671 1.00 40.41 ATOM 945 O PRO 57 5.074 -34.224 -0.485 1.00 50.45 ATOM 946 N ILE 58 4.218 -32.294 -1.266 1.00 33.12 ATOM 947 HN ILE 58 3.417 -31.731 -1.382 1.00 38.34 ATOM 948 CA ILE 58 5.500 -31.792 -1.744 1.00 54.03 ATOM 949 HA ILE 58 6.216 -32.607 -1.757 1.00 52.43 ATOM 950 CB ILE 58 5.387 -31.236 -3.176 1.00 64.13 ATOM 951 HB ILE 58 4.660 -30.436 -3.176 1.00 41.15 ATOM 952 CG1 ILE 58 4.920 -32.332 -4.137 1.00 0.52 ATOM 953 HG11 ILE 58 4.845 -31.924 -5.136 1.00 38.34 ATOM 954 HG12 ILE 58 3.947 -32.685 -3.828 1.00 11.12 ATOM 955 CG2 ILE 58 6.722 -30.662 -3.628 1.00 22.33 ATOM 956 HG21 ILE 58 7.513 -31.361 -3.423 1.00 14.21 ATOM 957 HG22 ILE 58 6.917 -29.736 -3.109 1.00 64.34 ATOM 958 HG23 ILE 58 6.693 -30.462 -4.692 1.00 61.41 ATOM 959 CD1 ILE 58 5.848 -33.525 -4.190 1.00 42.22 ATOM 960 HD11 ILE 58 5.560 -34.158 -5.017 1.00 65.14 ATOM 961 HD12 ILE 58 5.758 -34.085 -3.274 1.00 61.54 ATOM 962 HD13 ILE 58 6.871 -33.210 -4.325 1.00 42.22 ATOM 963 C ILE 58 6.039 -30.699 -0.828 1.00 32.24 ATOM 964 O ILE 58 5.403 -29.662 -0.640 1.00 72.53 ATOM 965 N MET 59 7.217 -30.938 -0.260 1.00 75.40 ATOM 966 HN MET 59 7.688 -31.783 -0.441 1.00 38.34 ATOM 967 CA MET 59 7.843 -29.973 0.635 1.00 2.31 ATOM 968 HA MET 59 7.197 -29.105 0.725 1.00 32.23 ATOM 969 CB MET 59 8.031 -30.581 2.026 1.00 34.41 ATOM 970 HB1 MET 59 8.821 -31.321 1.982 1.00 38.34 ATOM 971 HB2 MET 59 7.116 -31.083 2.313 1.00 21.21 ATOM 972 CG MET 59 8.402 -29.562 3.091 1.00 54.33 ATOM 973 HG1 MET 59 8.945 -28.742 2.653 1.00 38.34 ATOM 974 HG2 MET 59 9.042 -30.050 3.810 1.00 43.32 ATOM 975 SD MET 59 6.961 -28.897 3.948 1.00 41.13 ATOM 976 CE MET 59 7.143 -29.660 5.558 1.00 43.21 ATOM 977 HE1 MET 59 7.739 -29.022 6.194 1.00 22.32 ATOM 978 HE2 MET 59 7.631 -30.619 5.455 1.00 2.04 ATOM 979 HE3 MET 59 6.173 -29.803 6.000 1.00 44.23 ATOM 980 C MET 59 9.189 -29.513 0.083 1.00 72.11 ATOM 981 O MET 59 9.925 -30.297 -0.514 1.00 65.34 ATOM 982 N ALA 60 9.503 -28.238 0.287 1.00 54.15 ATOM 983 HN ALA 60 8.876 -27.648 0.764 1.00 38.34 ATOM 984 CA ALA 60 10.760 -27.675 -0.190 1.00 21.24 ATOM 985 HA ALA 60 10.748 -26.614 0.012 1.00 54.34 ATOM 986 CB ALA 60 11.931 -28.287 0.565 1.00 63.13 ATOM 987 HB1 ALA 60 12.841 -27.778 0.289 1.00 21.51 ATOM 988 HB2 ALA 60 12.018 -29.338 0.324 1.00 45.11 ATOM 989 HB3 ALA 60 11.759 -28.177 1.622 1.00 33.31 ATOM 990 C ALA 60 10.925 -27.890 -1.690 1.00 75.43 ATOM 991 O ALA 60 12.040 -28.049 -2.187 1.00 11.20 ATOM 992 N LYS 61 9.807 -27.896 -2.408 1.00 53.34 ATOM 993 HN LYS 61 8.939 -27.737 -1.979 1.00 38.34 ATOM 994 CA LYS 61 9.826 -28.091 -3.853 1.00 52.13 ATOM 995 HA LYS 61 8.819 -27.969 -4.218 1.00 20.34 ATOM 996 CB LYS 61 10.731 -27.051 -4.517 1.00 50.32 ATOM 997 HB1 LYS 61 10.527 -27.045 -5.579 1.00 38.34 ATOM 998 HB2 LYS 61 11.768 -27.319 -4.370 1.00 42.13 ATOM 999 CG LYS 61 10.531 -25.642 -3.985 1.00 24.33 ATOM 1000 HG1 LYS 61 11.263 -25.005 -4.430 1.00 38.34 ATOM 1001 HG2 LYS 61 10.677 -25.634 -2.920 1.00 71.44 ATOM 1002 CD LYS 61 9.154 -25.104 -4.333 1.00 73.43 ATOM 1003 HD1 LYS 61 8.471 -25.911 -4.556 1.00 38.34 ATOM 1004 HD2 LYS 61 9.248 -24.476 -5.207 1.00 1.31 ATOM 1005 CE LYS 61 8.572 -24.282 -3.194 1.00 34.22 ATOM 1006 HE1 LYS 61 9.282 -24.202 -2.380 1.00 38.34 ATOM 1007 HE2 LYS 61 7.682 -24.777 -2.836 1.00 40.23 ATOM 1008 NZ LYS 61 8.202 -22.908 -3.633 1.00 63.24 ATOM 1009 HZ1 LYS 61 7.807 -22.374 -2.832 1.00 73.43 ATOM 1010 HZ2 LYS 61 7.488 -22.949 -4.389 1.00 44.24 ATOM 1011 HZ3 LYS 61 9.041 -22.404 -3.990 1.00 41.13 ATOM 1012 C LYS 61 10.304 -29.496 -4.206 1.00 50.32 ATOM 1013 O LYS 61 10.755 -29.744 -5.324 1.00 24.23 ATOM 1014 N GLN 62 10.200 -30.410 -3.247 1.00 2.31 ATOM 1015 HN GLN 62 9.800 -30.181 -2.390 1.00 38.34 ATOM 1016 CA GLN 62 10.622 -31.789 -3.458 1.00 73.52 ATOM 1017 HA GLN 62 10.591 -32.006 -4.520 1.00 3.33 ATOM 1018 CB GLN 62 12.055 -31.989 -2.962 1.00 13.14 ATOM 1019 HB1 GLN 62 12.595 -31.054 -3.046 1.00 38.34 ATOM 1020 HB2 GLN 62 12.536 -32.726 -3.589 1.00 24.33 ATOM 1021 CG GLN 62 12.138 -32.467 -1.521 1.00 4.31 ATOM 1022 HG1 GLN 62 11.697 -33.451 -1.445 1.00 38.34 ATOM 1023 HG2 GLN 62 11.599 -31.786 -0.893 1.00 4.04 ATOM 1024 CD GLN 62 13.565 -32.546 -1.014 1.00 40.12 ATOM 1025 OE1 GLN 62 14.194 -31.525 -0.732 1.00 74.24 ATOM 1026 NE2 GLN 62 14.085 -33.762 -0.895 1.00 74.14 ATOM 1027 HE21 GLN 62 13.539 -34.545 -1.134 1.00 4.33 ATOM 1028 HE22 GLN 62 15.006 -33.832 -0.568 1.00 51.31 ATOM 1029 C GLN 62 9.685 -32.760 -2.747 1.00 12.03 ATOM 1030 O GLN 62 9.102 -32.431 -1.713 1.00 72.43 ATOM 1031 N VAL 63 9.544 -33.957 -3.307 1.00 21.21 ATOM 1032 HN VAL 63 10.026 -34.153 -4.144 1.00 38.34 ATOM 1033 CA VAL 63 8.678 -34.976 -2.726 1.00 23.33 ATOM 1034 HA VAL 63 7.688 -34.566 -2.657 1.00 32.24 ATOM 1035 CB VAL 63 8.624 -36.237 -3.609 1.00 52.22 ATOM 1036 HB VAL 63 8.313 -35.944 -4.601 1.00 24.50 ATOM 1037 CG1 VAL 63 10.000 -36.877 -3.712 1.00 51.34 ATOM 1038 HG11 VAL 63 10.261 -37.362 -2.782 1.00 5.31 ATOM 1039 HG12 VAL 63 10.747 -36.133 -3.949 1.00 4.14 ATOM 1040 HG13 VAL 63 9.982 -37.617 -4.499 1.00 73.23 ATOM 1041 CG2 VAL 63 7.606 -37.226 -3.062 1.00 62.53 ATOM 1042 HG21 VAL 63 7.919 -38.235 -3.278 1.00 34.44 ATOM 1043 HG22 VAL 63 6.655 -37.047 -3.534 1.00 44.53 ATOM 1044 HG23 VAL 63 7.483 -37.128 -1.997 1.00 72.41 ATOM 1045 C VAL 63 9.150 -35.367 -1.330 1.00 23.42 ATOM 1046 O VAL 63 10.331 -35.645 -1.117 1.00 22.41 ATOM 1047 N LEU 64 8.221 -35.387 -0.381 1.00 74.42 ATOM 1048 HN LEU 64 7.287 -35.166 -0.613 1.00 38.34 ATOM 1049 CA LEU 64 8.541 -35.745 0.996 1.00 33.43 ATOM 1050 HA LEU 64 9.448 -35.223 1.268 1.00 21.34 ATOM 1051 CB LEU 64 7.416 -35.302 1.934 1.00 44.42 ATOM 1052 HB1 LEU 64 6.540 -35.903 1.720 1.00 38.34 ATOM 1053 HB2 LEU 64 7.179 -34.271 1.702 1.00 53.31 ATOM 1054 CG LEU 64 7.713 -35.399 3.431 1.00 50.23 ATOM 1055 HG LEU 64 7.958 -36.422 3.677 1.00 53.32 ATOM 1056 CD1 LEU 64 8.906 -34.530 3.796 1.00 43.30 ATOM 1057 HD11 LEU 64 8.725 -33.510 3.486 1.00 71.11 ATOM 1058 HD12 LEU 64 9.791 -34.903 3.307 1.00 50.14 ATOM 1059 HD13 LEU 64 9.060 -34.554 4.866 1.00 62.25 ATOM 1060 CD2 LEU 64 6.490 -34.998 4.244 1.00 65.43 ATOM 1061 HD21 LEU 64 6.722 -35.030 5.298 1.00 61.12 ATOM 1062 HD22 LEU 64 5.680 -35.682 4.038 1.00 31.13 ATOM 1063 HD23 LEU 64 6.188 -33.994 3.976 1.00 24.04 ATOM 1064 C LEU 64 8.766 -37.248 1.130 1.00 23.00 ATOM 1065 O LEU 64 7.814 -38.025 1.196 1.00 70.43 ATOM 1066 N ASP 65 10.032 -37.649 1.172 1.00 70.42 ATOM 1067 HN ASP 65 10.742 -36.968 1.147 1.00 38.34 ATOM 1068 CA ASP 65 10.383 -39.059 1.301 1.00 2.23 ATOM 1069 HA ASP 65 10.003 -39.571 0.431 1.00 53.10 ATOM 1070 CB ASP 65 11.903 -39.225 1.349 1.00 32.40 ATOM 1071 HB1 ASP 65 12.160 -40.252 1.173 1.00 38.34 ATOM 1072 HB2 ASP 65 12.265 -38.935 2.327 1.00 12.53 ATOM 1073 CG ASP 65 12.613 -38.360 0.326 1.00 15.15 ATOM 1074 OD1 ASP 65 13.778 -37.986 0.573 1.00 61.22 ATOM 1075 OD2 ASP 65 12.002 -38.055 -0.720 1.00 30.42 ATOM 1076 C ASP 65 9.753 -39.663 2.552 1.00 23.14 ATOM 1077 O ASP 65 10.234 -39.452 3.667 1.00 64.24 ATOM 1078 N LEU 66 8.674 -40.414 2.361 1.00 24.24 ATOM 1079 HN LEU 66 8.338 -40.550 1.448 1.00 38.34 ATOM 1080 CA LEU 66 7.977 -41.049 3.475 1.00 41.24 ATOM 1081 HA LEU 66 7.723 -40.287 4.193 1.00 31.43 ATOM 1082 CB LEU 66 6.701 -41.732 2.980 1.00 52.30 ATOM 1083 HB1 LEU 66 6.309 -42.348 3.783 1.00 38.34 ATOM 1084 HB2 LEU 66 6.970 -42.379 2.157 1.00 4.15 ATOM 1085 CG LEU 66 5.581 -40.802 2.512 1.00 74.24 ATOM 1086 HG LEU 66 5.920 -40.248 1.648 1.00 61.01 ATOM 1087 CD1 LEU 66 4.356 -41.606 2.103 1.00 70.01 ATOM 1088 HD11 LEU 66 3.987 -42.167 2.951 1.00 44.24 ATOM 1089 HD12 LEU 66 4.620 -42.290 1.308 1.00 41.43 ATOM 1090 HD13 LEU 66 3.583 -40.936 1.752 1.00 22.31 ATOM 1091 CD2 LEU 66 5.225 -39.803 3.603 1.00 62.10 ATOM 1092 HD21 LEU 66 5.006 -40.326 4.524 1.00 54.42 ATOM 1093 HD22 LEU 66 4.356 -39.230 3.303 1.00 72.35 ATOM 1094 HD23 LEU 66 6.049 -39.126 3.760 1.00 13.15 ATOM 1095 C LEU 66 8.875 -42.067 4.171 1.00 41.45 ATOM 1096 O LEU 66 8.931 -42.123 5.399 1.00 23.01 ATOM 1097 N PHE 67 9.578 -42.868 3.377 1.00 72.11 ATOM 1098 HN PHE 67 9.483 -42.787 2.398 1.00 38.34 ATOM 1099 CA PHE 67 10.475 -43.883 3.917 1.00 73.55 ATOM 1100 HA PHE 67 9.871 -44.611 4.442 1.00 32.42 ATOM 1101 CB PHE 67 11.230 -44.581 2.783 1.00 33.54 ATOM 1102 HB1 PHE 67 11.978 -43.908 2.378 1.00 38.34 ATOM 1103 HB2 PHE 67 10.526 -44.824 1.996 1.00 51.13 ATOM 1104 CG PHE 67 11.920 -45.845 3.212 1.00 2.41 ATOM 1105 CD1 PHE 67 11.451 -47.081 2.798 1.00 44.14 ATOM 1106 HD1 PHE 67 10.580 -47.136 2.160 1.00 30.41 ATOM 1107 CD2 PHE 67 13.038 -45.796 4.029 1.00 1.30 ATOM 1108 HD2 PHE 67 13.428 -44.846 4.355 1.00 25.53 ATOM 1109 CE1 PHE 67 12.085 -48.245 3.191 1.00 15.43 ATOM 1110 HE1 PHE 67 11.719 -49.202 2.860 1.00 12.00 ATOM 1111 CE2 PHE 67 13.676 -46.956 4.426 1.00 73.23 ATOM 1112 HE2 PHE 67 14.547 -46.904 5.062 1.00 14.51 ATOM 1113 CZ PHE 67 13.199 -48.182 4.005 1.00 33.23 ATOM 1114 HZ PHE 67 13.696 -49.090 4.313 1.00 72.05 ATOM 1115 C PHE 67 11.466 -43.267 4.899 1.00 0.30 ATOM 1116 O PHE 67 11.639 -43.759 6.013 1.00 24.24 ATOM 1117 N MET 68 12.114 -42.186 4.476 1.00 22.24 ATOM 1118 HN MET 68 11.911 -41.825 3.581 1.00 38.34 ATOM 1119 CA MET 68 13.088 -41.501 5.319 1.00 71.42 ATOM 1120 HA MET 68 13.793 -42.230 5.686 1.00 10.22 ATOM 1121 CB MET 68 13.832 -40.435 4.512 1.00 35.12 ATOM 1122 HB1 MET 68 14.596 -39.981 5.122 1.00 38.34 ATOM 1123 HB2 MET 68 13.115 -39.682 4.221 1.00 33.10 ATOM 1124 CG MET 68 14.463 -40.968 3.236 1.00 34.43 ATOM 1125 HG1 MET 68 15.028 -40.172 2.774 1.00 38.34 ATOM 1126 HG2 MET 68 13.683 -41.287 2.563 1.00 63.14 ATOM 1127 SD MET 68 15.572 -42.358 3.538 1.00 14.31 ATOM 1128 CE MET 68 16.516 -41.741 4.930 1.00 73.32 ATOM 1129 HE1 MET 68 16.854 -40.737 4.718 1.00 74.51 ATOM 1130 HE2 MET 68 17.371 -42.380 5.095 1.00 44.42 ATOM 1131 HE3 MET 68 15.899 -41.734 5.815 1.00 44.30 ATOM 1132 C MET 68 12.408 -40.861 6.525 1.00 23.21 ATOM 1133 O MET 68 12.901 -40.954 7.650 1.00 24.00 ATOM 1134 N LEU 69 11.275 -40.212 6.284 1.00 12.21 ATOM 1135 HN LEU 69 10.933 -40.165 5.360 1.00 38.34 ATOM 1136 CA LEU 69 10.527 -39.556 7.351 1.00 3.43 ATOM 1137 HA LEU 69 11.174 -38.817 7.798 1.00 24.42 ATOM 1138 CB LEU 69 9.280 -38.876 6.784 1.00 50.14 ATOM 1139 HB1 LEU 69 8.435 -39.547 6.901 1.00 38.34 ATOM 1140 HB2 LEU 69 9.423 -38.715 5.727 1.00 24.11 ATOM 1141 CG LEU 69 8.907 -37.530 7.406 1.00 43.34 ATOM 1142 HG LEU 69 8.877 -37.633 8.481 1.00 62.44 ATOM 1143 CD1 LEU 69 9.951 -36.477 7.065 1.00 20.33 ATOM 1144 HD11 LEU 69 9.750 -35.582 7.636 1.00 2.12 ATOM 1145 HD12 LEU 69 9.889 -36.245 6.017 1.00 1.42 ATOM 1146 HD13 LEU 69 10.943 -36.832 7.300 1.00 75.00 ATOM 1147 CD2 LEU 69 7.529 -37.088 6.935 1.00 20.23 ATOM 1148 HD21 LEU 69 7.258 -36.161 7.420 1.00 33.41 ATOM 1149 HD22 LEU 69 6.798 -37.843 7.174 1.00 22.23 ATOM 1150 HD23 LEU 69 7.546 -36.942 5.866 1.00 21.15 ATOM 1151 C LEU 69 10.128 -40.556 8.431 1.00 2.03 ATOM 1152 O LEU 69 10.200 -40.259 9.624 1.00 13.20 ATOM 1153 N TYR 70 9.710 -41.743 8.006 1.00 42.24 ATOM 1154 HN TYR 70 9.672 -41.927 7.039 1.00 38.34 ATOM 1155 CA TYR 70 9.300 -42.787 8.936 1.00 33.52 ATOM 1156 HA TYR 70 8.608 -42.364 9.645 1.00 60.02 ATOM 1157 CB TYR 70 8.598 -43.921 8.186 1.00 12.20 ATOM 1158 HB1 TYR 70 9.203 -44.200 7.333 1.00 38.34 ATOM 1159 HB2 TYR 70 7.644 -43.580 7.831 1.00 44.03 ATOM 1160 CG TYR 70 8.375 -45.157 9.028 1.00 63.15 ATOM 1161 CD1 TYR 70 7.195 -45.333 9.739 1.00 20.44 ATOM 1162 HD1 TYR 70 6.428 -44.573 9.687 1.00 52.53 ATOM 1163 CD2 TYR 70 9.345 -46.148 9.112 1.00 61.34 ATOM 1164 HD2 TYR 70 10.271 -46.029 8.566 1.00 33.13 ATOM 1165 CE1 TYR 70 6.987 -46.461 10.510 1.00 24.01 ATOM 1166 HE1 TYR 70 6.072 -46.586 11.029 1.00 22.53 ATOM 1167 CE2 TYR 70 9.146 -47.280 9.879 1.00 55.25 ATOM 1168 HE2 TYR 70 9.912 -48.039 9.931 1.00 43.43 ATOM 1169 CZ TYR 70 7.965 -47.431 10.576 1.00 23.51 ATOM 1170 OH TYR 70 7.763 -48.556 11.342 1.00 22.53 ATOM 1171 HH TYR 70 8.301 -48.510 12.139 1.00 42.31 ATOM 1172 C TYR 70 10.499 -43.336 9.703 1.00 61.22 ATOM 1173 O TYR 70 10.458 -43.477 10.925 1.00 21.01 ATOM 1174 N VAL 71 11.568 -43.644 8.975 1.00 71.21 ATOM 1175 HN VAL 71 11.546 -43.499 8.000 1.00 38.34 ATOM 1176 CA VAL 71 12.781 -44.176 9.585 1.00 52.13 ATOM 1177 HA VAL 71 12.518 -45.068 10.138 1.00 53.24 ATOM 1178 CB VAL 71 13.823 -44.562 8.518 1.00 75.21 ATOM 1179 HB VAL 71 14.060 -43.682 7.935 1.00 1.44 ATOM 1180 CG1 VAL 71 15.102 -45.056 9.175 1.00 4.41 ATOM 1181 HG11 VAL 71 15.760 -45.473 8.423 1.00 5.40 ATOM 1182 HG12 VAL 71 14.871 -45.819 9.905 1.00 13.40 ATOM 1183 HG13 VAL 71 15.608 -44.235 9.661 1.00 2.43 ATOM 1184 CG2 VAL 71 13.256 -45.615 7.577 1.00 21.24 ATOM 1185 HG21 VAL 71 12.214 -45.442 7.376 1.00 3.11 ATOM 1186 HG22 VAL 71 13.365 -46.600 8.013 1.00 2.13 ATOM 1187 HG23 VAL 71 13.806 -45.574 6.657 1.00 31.20 ATOM 1188 C VAL 71 13.402 -43.167 10.544 1.00 51.54 ATOM 1189 O VAL 71 13.944 -43.536 11.586 1.00 15.04 ATOM 1190 N LEU 72 13.320 -41.890 10.185 1.00 74.12 ATOM 1191 HN LEU 72 12.881 -41.652 9.337 1.00 38.34 ATOM 1192 CA LEU 72 13.873 -40.825 11.014 1.00 63.11 ATOM 1193 HA LEU 72 14.863 -41.119 11.297 1.00 72.14 ATOM 1194 CB LEU 72 13.928 -39.515 10.226 1.00 14.24 ATOM 1195 HB1 LEU 72 13.722 -38.706 10.893 1.00 38.34 ATOM 1196 HB2 LEU 72 13.154 -39.516 9.478 1.00 32.33 ATOM 1197 CG LEU 72 15.259 -39.195 9.547 1.00 63.15 ATOM 1198 HG LEU 72 15.185 -38.233 9.061 1.00 0.15 ATOM 1199 CD1 LEU 72 16.378 -39.118 10.574 1.00 41.43 ATOM 1200 HD11 LEU 72 17.279 -38.769 10.091 1.00 4.34 ATOM 1201 HD12 LEU 72 16.561 -40.091 11.002 1.00 74.54 ATOM 1202 HD13 LEU 72 16.108 -38.425 11.360 1.00 64.35 ATOM 1203 CD2 LEU 72 15.579 -40.237 8.484 1.00 3.42 ATOM 1204 HD21 LEU 72 15.436 -41.236 8.869 1.00 5.41 ATOM 1205 HD22 LEU 72 16.609 -40.127 8.166 1.00 14.23 ATOM 1206 HD23 LEU 72 14.943 -40.082 7.632 1.00 45.52 ATOM 1207 C LEU 72 13.046 -40.636 12.281 1.00 1.04 ATOM 1208 O LEU 72 13.587 -40.577 13.386 1.00 63.04 ATOM 1209 N VAL 73 11.730 -40.543 12.115 1.00 25.41 ATOM 1210 HN VAL 73 11.352 -40.592 11.204 1.00 38.34 ATOM 1211 CA VAL 73 10.828 -40.365 13.246 1.00 54.41 ATOM 1212 HA VAL 73 11.124 -39.469 13.780 1.00 55.11 ATOM 1213 CB VAL 73 9.370 -40.192 12.779 1.00 61.34 ATOM 1214 HB VAL 73 9.117 -41.024 12.138 1.00 50.40 ATOM 1215 CG1 VAL 73 8.423 -40.204 13.969 1.00 53.14 ATOM 1216 HG11 VAL 73 8.274 -41.221 14.301 1.00 52.13 ATOM 1217 HG12 VAL 73 7.464 -39.790 13.683 1.00 0.51 ATOM 1218 HG13 VAL 73 8.828 -39.625 14.776 1.00 75.41 ATOM 1219 CG2 VAL 73 9.216 -38.909 11.977 1.00 43.24 ATOM 1220 HG21 VAL 73 8.272 -38.911 11.467 1.00 2.31 ATOM 1221 HG22 VAL 73 10.012 -38.814 11.259 1.00 61.11 ATOM 1222 HG23 VAL 73 9.252 -38.058 12.645 1.00 5.22 ATOM 1223 C VAL 73 10.906 -41.548 14.204 1.00 1.43 ATOM 1224 O VAL 73 10.803 -41.384 15.421 1.00 60.24 ATOM 1225 N THR 74 11.090 -42.741 13.649 1.00 71.34 ATOM 1226 HN THR 74 11.157 -42.819 12.669 1.00 38.34 ATOM 1227 CA THR 74 11.182 -43.953 14.453 1.00 12.12 ATOM 1228 HA THR 74 10.362 -43.957 15.164 1.00 55.11 ATOM 1229 CB THR 74 11.073 -45.217 13.580 1.00 75.02 ATOM 1230 HB THR 74 11.284 -46.089 14.189 1.00 13.22 ATOM 1231 OG1 THR 74 12.020 -45.155 12.508 1.00 22.41 ATOM 1232 HG1 THR 74 12.231 -46.044 12.211 1.00 71.21 ATOM 1233 CG2 THR 74 9.668 -45.364 13.014 1.00 41.02 ATOM 1234 HG21 THR 74 9.706 -45.980 12.137 1.00 72.31 ATOM 1235 HG22 THR 74 9.257 -44.398 12.758 1.00 11.01 ATOM 1236 HG23 THR 74 9.035 -45.836 13.751 1.00 64.34 ATOM 1237 C THR 74 12.492 -43.998 15.231 1.00 31.32 ATOM 1238 O THR 74 12.500 -44.247 16.436 1.00 31.41 ATOM 1239 N GLU 75 13.598 -43.755 14.534 1.00 35.31 ATOM 1240 HN GLU 75 13.529 -43.564 13.568 1.00 38.34 ATOM 1241 CA GLU 75 14.914 -43.769 15.162 1.00 52.15 ATOM 1242 HA GLU 75 15.081 -44.756 15.570 1.00 44.05 ATOM 1243 CB GLU 75 16.000 -43.474 14.125 1.00 23.52 ATOM 1244 HB1 GLU 75 15.777 -44.018 13.217 1.00 38.34 ATOM 1245 HB2 GLU 75 16.939 -43.833 14.523 1.00 55.34 ATOM 1246 CG GLU 75 16.130 -42.000 13.781 1.00 31.12 ATOM 1247 HG1 GLU 75 15.863 -41.371 14.608 1.00 38.34 ATOM 1248 HG2 GLU 75 15.481 -41.801 12.966 1.00 1.34 ATOM 1249 CD GLU 75 17.534 -41.622 13.353 1.00 65.33 ATOM 1250 OE1 GLU 75 17.798 -40.413 13.185 1.00 53.01 ATOM 1251 OE2 GLU 75 18.370 -42.535 13.185 1.00 51.02 ATOM 1252 C GLU 75 14.987 -42.750 16.295 1.00 51.42 ATOM 1253 O GLU 75 15.837 -42.847 17.180 1.00 65.34 ATOM 1254 N LYS 76 14.089 -41.771 16.261 1.00 41.31 ATOM 1255 HN LYS 76 13.465 -41.695 15.509 1.00 38.34 ATOM 1256 CA LYS 76 14.049 -40.733 17.284 1.00 3.40 ATOM 1257 HA LYS 76 15.051 -40.580 17.665 1.00 73.44 ATOM 1258 CB LYS 76 13.534 -39.421 16.689 1.00 54.53 ATOM 1259 HB1 LYS 76 13.308 -38.724 17.489 1.00 38.34 ATOM 1260 HB2 LYS 76 12.627 -39.623 16.138 1.00 25.14 ATOM 1261 CG LYS 76 14.519 -38.752 15.746 1.00 11.50 ATOM 1262 HG1 LYS 76 14.047 -37.878 15.325 1.00 38.34 ATOM 1263 HG2 LYS 76 14.780 -39.439 14.962 1.00 62.21 ATOM 1264 CD LYS 76 15.791 -38.341 16.468 1.00 22.54 ATOM 1265 HD1 LYS 76 16.447 -39.199 16.506 1.00 38.34 ATOM 1266 HD2 LYS 76 15.573 -38.027 17.473 1.00 3.54 ATOM 1267 CE LYS 76 16.514 -37.224 15.733 1.00 43.32 ATOM 1268 HE1 LYS 76 15.856 -36.376 15.631 1.00 38.34 ATOM 1269 HE2 LYS 76 16.788 -37.580 14.750 1.00 13.11 ATOM 1270 NZ LYS 76 17.752 -36.800 16.445 1.00 34.52 ATOM 1271 HZ1 LYS 76 18.445 -37.577 16.450 1.00 45.35 ATOM 1272 HZ2 LYS 76 17.540 -36.536 17.429 1.00 22.22 ATOM 1273 HZ3 LYS 76 18.175 -35.980 15.964 1.00 24.05 ATOM 1274 C LYS 76 13.165 -41.155 18.453 1.00 4.33 ATOM 1275 O LYS 76 13.238 -40.580 19.538 1.00 4.54 ATOM 1276 N GLY 77 12.331 -42.164 18.225 1.00 61.54 ATOM 1277 HN GLY 77 12.287 -42.581 17.350 1.00 38.34 ATOM 1278 CA GLY 77 11.446 -42.647 19.269 1.00 45.11 ATOM 1279 HA1 GLY 77 11.465 -41.983 20.125 1.00 38.34 ATOM 1280 HA2 GLY 77 11.789 -43.621 19.585 1.00 3.01 ATOM 1281 C GLY 77 10.011 -42.775 18.799 1.00 11.24 ATOM 1282 O GLY 77 9.260 -43.612 19.298 1.00 73.15 ATOM 1283 N GLY 78 9.628 -41.940 17.838 1.00 74.22 ATOM 1284 HN GLY 78 10.259 -41.280 17.471 1.00 38.34 ATOM 1285 CA GLY 78 8.273 -41.979 17.319 1.00 50.25 ATOM 1286 HA1 GLY 78 7.620 -42.511 18.001 1.00 38.34 ATOM 1287 HA2 GLY 78 8.281 -42.501 16.375 1.00 22.42 ATOM 1288 C GLY 78 7.697 -40.594 17.097 1.00 22.22 ATOM 1289 O GLY 78 8.277 -39.596 17.529 1.00 74.45 ATOM 1290 N LEU 79 6.555 -40.531 16.422 1.00 60.31 ATOM 1291 HN LEU 79 6.140 -41.367 16.098 1.00 38.34 ATOM 1292 CA LEU 79 5.901 -39.258 16.142 1.00 12.20 ATOM 1293 HA LEU 79 6.531 -38.705 15.461 1.00 72.21 ATOM 1294 CB LEU 79 4.541 -39.495 15.482 1.00 45.44 ATOM 1295 HB1 LEU 79 3.990 -40.193 16.097 1.00 38.34 ATOM 1296 HB2 LEU 79 4.723 -39.954 14.534 1.00 11.42 ATOM 1297 CG LEU 79 3.672 -38.255 15.273 1.00 55.51 ATOM 1298 HG LEU 79 3.379 -37.877 16.229 1.00 42.31 ATOM 1299 CD1 LEU 79 4.449 -37.175 14.535 1.00 75.52 ATOM 1300 HD11 LEU 79 5.242 -36.805 15.166 1.00 4.23 ATOM 1301 HD12 LEU 79 3.792 -36.357 14.275 1.00 20.34 ATOM 1302 HD13 LEU 79 4.875 -37.586 13.629 1.00 33.44 ATOM 1303 CD2 LEU 79 2.403 -38.615 14.514 1.00 51.44 ATOM 1304 HD21 LEU 79 1.832 -37.720 14.306 1.00 71.02 ATOM 1305 HD22 LEU 79 1.806 -39.283 15.117 1.00 63.10 ATOM 1306 HD23 LEU 79 2.654 -39.104 13.589 1.00 43.23 ATOM 1307 C LEU 79 5.723 -38.444 17.420 1.00 22.41 ATOM 1308 O LEU 79 6.137 -37.287 17.495 1.00 73.34 ATOM 1309 N VAL 80 5.107 -39.058 18.425 1.00 30.33 ATOM 1310 HN VAL 80 4.827 -39.994 18.308 1.00 38.34 ATOM 1311 CA VAL 80 4.878 -38.393 19.702 1.00 14.31 ATOM 1312 HA VAL 80 4.222 -37.549 19.527 1.00 52.24 ATOM 1313 CB VAL 80 4.198 -39.336 20.713 1.00 42.13 ATOM 1314 HB VAL 80 4.850 -40.169 20.886 1.00 64.12 ATOM 1315 CG1 VAL 80 3.980 -38.628 22.041 1.00 51.30 ATOM 1316 HG11 VAL 80 3.676 -37.604 21.865 1.00 14.24 ATOM 1317 HG12 VAL 80 4.896 -38.641 22.609 1.00 65.43 ATOM 1318 HG13 VAL 80 3.209 -39.128 22.604 1.00 61.31 ATOM 1319 CG2 VAL 80 2.882 -39.856 20.154 1.00 64.21 ATOM 1320 HG21 VAL 80 2.246 -39.029 19.934 1.00 11.55 ATOM 1321 HG22 VAL 80 2.397 -40.486 20.884 1.00 34.21 ATOM 1322 HG23 VAL 80 3.058 -40.425 19.256 1.00 61.01 ATOM 1323 C VAL 80 6.185 -37.883 20.299 1.00 54.23 ATOM 1324 O VAL 80 6.294 -36.716 20.672 1.00 15.53 ATOM 1325 N GLU 81 7.174 -38.766 20.384 1.00 22.43 ATOM 1326 HN GLU 81 7.025 -39.690 20.068 1.00 38.34 ATOM 1327 CA GLU 81 8.475 -38.405 20.936 1.00 14.22 ATOM 1328 HA GLU 81 8.333 -38.119 21.969 1.00 65.10 ATOM 1329 CB GLU 81 9.427 -39.601 20.881 1.00 1.04 ATOM 1330 HB1 GLU 81 9.568 -39.880 19.845 1.00 38.34 ATOM 1331 HB2 GLU 81 8.961 -40.431 21.393 1.00 13.11 ATOM 1332 CG GLU 81 10.794 -39.319 21.482 1.00 11.41 ATOM 1333 HG1 GLU 81 10.842 -38.303 21.840 1.00 38.34 ATOM 1334 HG2 GLU 81 11.539 -39.458 20.723 1.00 63.10 ATOM 1335 CD GLU 81 11.118 -40.232 22.648 1.00 4.45 ATOM 1336 OE1 GLU 81 10.187 -40.591 23.399 1.00 41.24 ATOM 1337 OE2 GLU 81 12.305 -40.587 22.811 1.00 73.03 ATOM 1338 C GLU 81 9.078 -37.225 20.179 1.00 31.12 ATOM 1339 O GLU 81 9.757 -36.380 20.763 1.00 33.10 ATOM 1340 N VAL 82 8.826 -37.175 18.875 1.00 14.11 ATOM 1341 HN VAL 82 8.285 -37.883 18.453 1.00 38.34 ATOM 1342 CA VAL 82 9.343 -36.100 18.037 1.00 14.42 ATOM 1343 HA VAL 82 10.383 -35.959 18.281 1.00 5.45 ATOM 1344 CB VAL 82 9.235 -36.452 16.542 1.00 71.13 ATOM 1345 HB VAL 82 8.200 -36.655 16.310 1.00 65.52 ATOM 1346 CG1 VAL 82 9.692 -35.283 15.683 1.00 3.20 ATOM 1347 HG11 VAL 82 9.026 -35.202 14.838 1.00 3.24 ATOM 1348 HG12 VAL 82 10.691 -35.460 15.311 1.00 63.32 ATOM 1349 HG13 VAL 82 9.687 -34.350 16.217 1.00 64.14 ATOM 1350 CG2 VAL 82 10.044 -37.702 16.230 1.00 40.13 ATOM 1351 HG21 VAL 82 9.726 -38.514 16.842 1.00 35.12 ATOM 1352 HG22 VAL 82 11.090 -37.511 16.420 1.00 43.12 ATOM 1353 HG23 VAL 82 9.917 -37.960 15.191 1.00 75.44 ATOM 1354 C VAL 82 8.597 -34.795 18.296 1.00 44.15 ATOM 1355 O VAL 82 9.212 -33.748 18.502 1.00 52.12 ATOM 1356 N ILE 83 7.271 -34.865 18.283 1.00 34.53 ATOM 1357 HN ILE 83 6.839 -35.737 18.132 1.00 38.34 ATOM 1358 CA ILE 83 6.441 -33.690 18.518 1.00 5.10 ATOM 1359 HA ILE 83 6.669 -32.958 17.752 1.00 75.25 ATOM 1360 CB ILE 83 4.942 -34.032 18.431 1.00 3.12 ATOM 1361 HB ILE 83 4.723 -34.778 19.185 1.00 2.02 ATOM 1362 CG1 ILE 83 4.604 -34.594 17.049 1.00 65.31 ATOM 1363 HG11 ILE 83 5.385 -35.245 16.703 1.00 38.34 ATOM 1364 HG12 ILE 83 4.504 -33.780 16.343 1.00 44.32 ATOM 1365 CG2 ILE 83 4.100 -32.800 18.728 1.00 20.33 ATOM 1366 HG21 ILE 83 4.199 -32.527 19.767 1.00 24.44 ATOM 1367 HG22 ILE 83 3.059 -33.008 18.524 1.00 72.23 ATOM 1368 HG23 ILE 83 4.424 -31.975 18.108 1.00 73.53 ATOM 1369 CD1 ILE 83 3.313 -35.380 17.016 1.00 74.43 ATOM 1370 HD11 ILE 83 2.542 -34.842 17.550 1.00 51.51 ATOM 1371 HD12 ILE 83 3.465 -36.335 17.488 1.00 43.32 ATOM 1372 HD13 ILE 83 2.998 -35.520 16.000 1.00 14.32 ATOM 1373 C ILE 83 6.733 -33.075 19.883 1.00 70.23 ATOM 1374 O ILE 83 6.659 -31.859 20.056 1.00 64.45 ATOM 1375 N ASN 84 7.066 -33.925 20.849 1.00 11.53 ATOM 1376 HN ASN 84 7.107 -34.891 20.660 1.00 38.34 ATOM 1377 CA ASN 84 7.370 -33.465 22.199 1.00 2.25 ATOM 1378 HA ASN 84 6.722 -32.627 22.434 1.00 64.24 ATOM 1379 CB ASN 84 7.114 -34.583 23.211 1.00 22.44 ATOM 1380 HB1 ASN 84 7.454 -34.267 24.190 1.00 38.34 ATOM 1381 HB2 ASN 84 7.670 -35.459 22.911 1.00 14.31 ATOM 1382 CG ASN 84 5.645 -34.943 23.317 1.00 54.34 ATOM 1383 OD1 ASN 84 4.781 -34.066 23.357 1.00 42.02 ATOM 1384 ND2 ASN 84 5.354 -36.238 23.362 1.00 1.41 ATOM 1385 HD21 ASN 84 6.080 -36.900 23.313 1.00 54.13 ATOM 1386 HD22 ASN 84 4.416 -36.477 23.483 1.00 32.05 ATOM 1387 C ASN 84 8.818 -32.994 22.300 1.00 31.04 ATOM 1388 O ASN 84 9.123 -32.034 23.009 1.00 54.05 ATOM 1389 N LYS 85 9.707 -33.676 21.587 1.00 62.23 ATOM 1390 HN LYS 85 9.411 -34.443 21.043 1.00 38.34 ATOM 1391 CA LYS 85 11.123 -33.328 21.593 1.00 21.21 ATOM 1392 HA LYS 85 11.425 -33.136 22.617 1.00 34.51 ATOM 1393 CB LYS 85 11.956 -34.484 21.035 1.00 70.25 ATOM 1394 HB1 LYS 85 12.906 -34.101 20.675 1.00 38.34 ATOM 1395 HB2 LYS 85 11.430 -34.916 20.202 1.00 44.32 ATOM 1396 CG LYS 85 12.227 -35.583 22.047 1.00 25.22 ATOM 1397 HG1 LYS 85 11.992 -36.530 21.592 1.00 38.34 ATOM 1398 HG2 LYS 85 11.611 -35.448 22.927 1.00 4.40 ATOM 1399 CD LYS 85 13.689 -35.611 22.462 1.00 41.13 ATOM 1400 HD1 LYS 85 14.309 -35.719 21.582 1.00 38.34 ATOM 1401 HD2 LYS 85 13.847 -36.454 23.118 1.00 64.13 ATOM 1402 CE LYS 85 14.085 -34.339 23.195 1.00 14.43 ATOM 1403 HE1 LYS 85 13.310 -34.076 23.904 1.00 38.34 ATOM 1404 HE2 LYS 85 14.195 -33.543 22.474 1.00 14.44 ATOM 1405 NZ LYS 85 15.368 -34.500 23.933 1.00 44.34 ATOM 1406 HZ1 LYS 85 15.609 -33.614 24.421 1.00 24.12 ATOM 1407 HZ2 LYS 85 16.138 -34.737 23.274 1.00 11.42 ATOM 1408 HZ3 LYS 85 15.286 -35.260 24.641 1.00 24.43 ATOM 1409 C LYS 85 11.377 -32.065 20.777 1.00 15.52 ATOM 1410 O LYS 85 12.431 -31.439 20.893 1.00 33.10 ATOM 1411 N LYS 86 10.403 -31.693 19.953 1.00 40.21 ATOM 1412 HN LYS 86 9.594 -32.234 19.856 1.00 38.34 ATOM 1413 CA LYS 86 10.519 -30.502 19.119 1.00 35.14 ATOM 1414 HA LYS 86 9.680 -30.489 18.443 1.00 61.54 ATOM 1415 CB LYS 86 10.485 -29.242 19.987 1.00 5.10 ATOM 1416 HB1 LYS 86 10.545 -28.369 19.349 1.00 38.34 ATOM 1417 HB2 LYS 86 11.342 -29.248 20.647 1.00 2.02 ATOM 1418 CG LYS 86 9.238 -29.128 20.846 1.00 4.35 ATOM 1419 HG1 LYS 86 9.399 -28.358 21.589 1.00 38.34 ATOM 1420 HG2 LYS 86 9.063 -30.069 21.350 1.00 55.02 ATOM 1421 CD LYS 86 8.015 -28.787 20.012 1.00 43.42 ATOM 1422 HD1 LYS 86 7.168 -29.279 20.458 1.00 38.34 ATOM 1423 HD2 LYS 86 8.137 -29.142 18.997 1.00 22.20 ATOM 1424 CE LYS 86 7.754 -27.288 19.993 1.00 74.31 ATOM 1425 HE1 LYS 86 8.669 -26.751 20.214 1.00 38.34 ATOM 1426 HE2 LYS 86 7.016 -27.057 20.746 1.00 22.51 ATOM 1427 NZ LYS 86 7.246 -26.831 18.670 1.00 43.42 ATOM 1428 HZ1 LYS 86 7.077 -25.805 18.691 1.00 4.23 ATOM 1429 HZ2 LYS 86 6.351 -27.310 18.440 1.00 71.42 ATOM 1430 HZ3 LYS 86 7.941 -27.040 17.923 1.00 2.14 ATOM 1431 C LYS 86 11.805 -30.534 18.300 1.00 74.31 ATOM 1432 O LYS 86 12.349 -29.490 17.938 1.00 32.04 ATOM 1433 N LEU 87 12.285 -31.738 18.009 1.00 60.04 ATOM 1434 HN LEU 87 11.784 -32.526 18.270 1.00 38.34 ATOM 1435 CA LEU 87 13.507 -31.906 17.230 1.00 60.23 ATOM 1436 HA LEU 87 14.123 -31.021 17.343 1.00 22.32 ATOM 1437 CB LEU 87 14.300 -33.110 17.742 1.00 71.14 ATOM 1438 HB1 LEU 87 14.194 -33.151 18.819 1.00 38.34 ATOM 1439 HB2 LEU 87 15.343 -32.940 17.512 1.00 75.34 ATOM 1440 CG LEU 87 13.904 -34.469 17.164 1.00 34.44 ATOM 1441 HG LEU 87 14.182 -34.526 16.126 1.00 23.32 ATOM 1442 CD1 LEU 87 14.646 -35.589 17.877 1.00 43.01 ATOM 1443 HD11 LEU 87 14.269 -36.533 17.534 1.00 13.14 ATOM 1444 HD12 LEU 87 14.487 -35.511 18.945 1.00 21.51 ATOM 1445 HD13 LEU 87 15.697 -35.514 17.666 1.00 42.32 ATOM 1446 CD2 LEU 87 12.399 -34.675 17.268 1.00 43.42 ATOM 1447 HD21 LEU 87 11.871 -33.963 16.665 1.00 13.11 ATOM 1448 HD22 LEU 87 12.092 -34.576 18.290 1.00 44.14 ATOM 1449 HD23 LEU 87 12.152 -35.670 16.926 1.00 72.04 ATOM 1450 C LEU 87 13.189 -32.085 15.749 1.00 75.12 ATOM 1451 O LEU 87 14.001 -32.611 14.988 1.00 20.44 ATOM 1452 N TRP 88 12.003 -31.642 15.347 1.00 71.24 ATOM 1453 HN TRP 88 11.385 -31.234 15.980 1.00 38.34 ATOM 1454 CA TRP 88 11.578 -31.752 13.956 1.00 41.55 ATOM 1455 HA TRP 88 11.384 -32.796 13.753 1.00 33.21 ATOM 1456 CB TRP 88 10.304 -30.937 13.724 1.00 23.03 ATOM 1457 HB1 TRP 88 10.276 -30.583 12.699 1.00 38.34 ATOM 1458 HB2 TRP 88 10.299 -30.081 14.386 1.00 62.45 ATOM 1459 CG TRP 88 9.048 -31.721 13.956 1.00 11.31 ATOM 1460 CD1 TRP 88 8.101 -31.487 14.912 1.00 31.10 ATOM 1461 HD1 TRP 88 8.150 -30.685 15.634 1.00 63.32 ATOM 1462 CD2 TRP 88 8.603 -32.865 13.219 1.00 5.03 ATOM 1463 NE1 TRP 88 7.094 -32.417 14.814 1.00 65.51 ATOM 1464 HE1 TRP 88 6.301 -32.460 15.388 1.00 1.34 ATOM 1465 CE2 TRP 88 7.379 -33.273 13.783 1.00 73.32 ATOM 1466 CE3 TRP 88 9.120 -33.583 12.137 1.00 34.13 ATOM 1467 HE3 TRP 88 10.050 -33.300 11.677 1.00 64.14 ATOM 1468 CZ2 TRP 88 6.666 -34.368 13.300 1.00 13.53 ATOM 1469 HZ2 TRP 88 5.728 -34.676 13.737 1.00 25.23 ATOM 1470 CZ3 TRP 88 8.411 -34.669 11.660 1.00 71.12 ATOM 1471 HZ3 TRP 88 8.789 -35.232 10.824 1.00 45.55 ATOM 1472 CH2 TRP 88 7.194 -35.052 12.240 1.00 25.51 ATOM 1473 HH2 TRP 88 6.675 -35.908 11.835 1.00 63.12 ATOM 1474 C TRP 88 12.678 -31.278 13.012 1.00 53.53 ATOM 1475 O TRP 88 12.790 -31.759 11.884 1.00 4.41 ATOM 1476 N ARG 89 13.486 -30.332 13.479 1.00 24.34 ATOM 1477 HN ARG 89 13.325 -29.964 14.370 1.00 38.34 ATOM 1478 CA ARG 89 14.577 -29.793 12.676 1.00 73.13 ATOM 1479 HA ARG 89 14.144 -29.244 11.853 1.00 12.33 ATOM 1480 CB ARG 89 15.432 -28.839 13.512 1.00 73.12 ATOM 1481 HB1 ARG 89 16.106 -28.314 12.849 1.00 38.34 ATOM 1482 HB2 ARG 89 16.018 -29.419 14.217 1.00 60.42 ATOM 1483 CG ARG 89 14.619 -27.832 14.308 1.00 15.41 ATOM 1484 HG1 ARG 89 14.811 -27.982 15.358 1.00 38.34 ATOM 1485 HG2 ARG 89 13.562 -27.954 14.116 1.00 72.22 ATOM 1486 CD ARG 89 14.989 -26.403 13.942 1.00 1.12 ATOM 1487 HD1 ARG 89 14.937 -26.296 12.865 1.00 38.34 ATOM 1488 HD2 ARG 89 16.001 -26.204 14.264 1.00 61.03 ATOM 1489 NE ARG 89 14.079 -25.431 14.542 1.00 4.34 ATOM 1490 HE ARG 89 13.401 -25.028 13.957 1.00 74.42 ATOM 1491 CZ ARG 89 14.125 -25.073 15.821 1.00 70.31 ATOM 1492 NH1 ARG 89 15.031 -25.605 16.629 1.00 4.04 ATOM 1493 HH11 ARG 89 15.693 -26.275 16.307 1.00 31.12 ATOM 1494 HH12 ARG 89 15.055 -25.328 17.592 1.00 64.25 ATOM 1495 NH2 ARG 89 13.263 -24.182 16.293 1.00 11.10 ATOM 1496 HH21 ARG 89 12.575 -23.777 15.687 1.00 43.25 ATOM 1497 HH22 ARG 89 13.296 -23.911 17.257 1.00 11.22 ATOM 1498 C ARG 89 15.446 -30.915 12.117 1.00 64.35 ATOM 1499 O ARG 89 15.840 -30.886 10.951 1.00 12.10 ATOM 1500 N GLU 90 15.742 -31.902 12.957 1.00 64.24 ATOM 1501 HN GLU 90 15.400 -31.872 13.882 1.00 38.34 ATOM 1502 CA GLU 90 16.567 -33.033 12.546 1.00 53.33 ATOM 1503 HA GLU 90 17.502 -32.648 12.160 1.00 74.54 ATOM 1504 CB GLU 90 16.865 -33.937 13.744 1.00 43.34 ATOM 1505 HB1 GLU 90 17.436 -34.797 13.417 1.00 38.34 ATOM 1506 HB2 GLU 90 15.923 -34.285 14.148 1.00 2.34 ATOM 1507 CG GLU 90 17.614 -33.235 14.864 1.00 14.33 ATOM 1508 HG1 GLU 90 17.402 -33.751 15.789 1.00 38.34 ATOM 1509 HG2 GLU 90 17.280 -32.211 14.949 1.00 31.12 ATOM 1510 CD GLU 90 19.115 -33.237 14.654 1.00 42.42 ATOM 1511 OE1 GLU 90 19.834 -32.666 15.500 1.00 23.13 ATOM 1512 OE2 GLU 90 19.571 -33.809 13.642 1.00 61.32 ATOM 1513 C GLU 90 15.878 -33.837 11.447 1.00 63.03 ATOM 1514 O GLU 90 16.501 -34.207 10.451 1.00 42.52 ATOM 1515 N ILE 91 14.591 -34.105 11.636 1.00 54.41 ATOM 1516 HN ILE 91 14.147 -33.753 12.438 1.00 38.34 ATOM 1517 CA ILE 91 13.818 -34.864 10.661 1.00 35.22 ATOM 1518 HA ILE 91 14.265 -35.844 10.567 1.00 14.34 ATOM 1519 CB ILE 91 12.353 -35.028 11.108 1.00 11.35 ATOM 1520 HB ILE 91 11.886 -34.056 11.104 1.00 32.31 ATOM 1521 CG1 ILE 91 12.291 -35.602 12.525 1.00 15.44 ATOM 1522 HG11 ILE 91 11.255 -35.742 12.805 1.00 38.34 ATOM 1523 HG12 ILE 91 12.745 -34.916 13.219 1.00 24.22 ATOM 1524 CG2 ILE 91 11.599 -35.921 10.135 1.00 34.44 ATOM 1525 HG21 ILE 91 10.635 -36.179 10.546 1.00 15.32 ATOM 1526 HG22 ILE 91 12.160 -36.829 9.957 1.00 54.00 ATOM 1527 HG23 ILE 91 11.454 -35.400 9.200 1.00 35.31 ATOM 1528 CD1 ILE 91 12.986 -36.937 12.668 1.00 65.14 ATOM 1529 HD11 ILE 91 12.876 -37.280 13.683 1.00 5.52 ATOM 1530 HD12 ILE 91 14.035 -36.845 12.437 1.00 30.03 ATOM 1531 HD13 ILE 91 12.525 -37.650 12.008 1.00 64.44 ATOM 1532 C ILE 91 13.847 -34.193 9.292 1.00 24.03 ATOM 1533 O ILE 91 14.025 -34.853 8.268 1.00 75.21 ATOM 1534 N THR 92 13.675 -32.875 9.282 1.00 53.25 ATOM 1535 HN THR 92 13.532 -32.397 10.133 1.00 38.34 ATOM 1536 CA THR 92 13.682 -32.113 8.039 1.00 24.11 ATOM 1537 HA THR 92 12.965 -32.569 7.366 1.00 15.42 ATOM 1538 CB THR 92 13.291 -30.643 8.279 1.00 11.21 ATOM 1539 HB THR 92 14.086 -29.989 7.938 1.00 11.44 ATOM 1540 OG1 THR 92 13.085 -30.413 9.677 1.00 2.43 ATOM 1541 HG1 THR 92 13.198 -29.479 9.872 1.00 1.33 ATOM 1542 CG2 THR 92 12.028 -30.287 7.510 1.00 15.21 ATOM 1543 HG21 THR 92 11.380 -31.142 7.418 1.00 72.21 ATOM 1544 HG22 THR 92 12.300 -29.945 6.524 1.00 61.24 ATOM 1545 HG23 THR 92 11.510 -29.493 8.024 1.00 11.34 ATOM 1546 C THR 92 15.053 -32.160 7.374 1.00 42.01 ATOM 1547 O THR 92 15.169 -32.463 6.186 1.00 13.51 ATOM 1548 N LYS 93 16.091 -31.859 8.147 1.00 63.41 ATOM 1549 HN LYS 93 15.935 -31.621 9.093 1.00 38.34 ATOM 1550 CA LYS 93 17.456 -31.869 7.634 1.00 41.02 ATOM 1551 HA LYS 93 17.507 -31.156 6.820 1.00 53.44 ATOM 1552 CB LYS 93 18.439 -31.456 8.732 1.00 54.30 ATOM 1553 HB1 LYS 93 18.719 -32.327 9.313 1.00 38.34 ATOM 1554 HB2 LYS 93 17.949 -30.754 9.397 1.00 72.30 ATOM 1555 CG LYS 93 19.711 -30.819 8.201 1.00 2.42 ATOM 1556 HG1 LYS 93 19.945 -31.227 7.224 1.00 38.34 ATOM 1557 HG2 LYS 93 20.514 -31.049 8.885 1.00 54.33 ATOM 1558 CD LYS 93 19.576 -29.309 8.094 1.00 4.12 ATOM 1559 HD1 LYS 93 19.365 -28.903 9.074 1.00 38.34 ATOM 1560 HD2 LYS 93 18.764 -29.073 7.422 1.00 21.32 ATOM 1561 CE LYS 93 20.851 -28.672 7.562 1.00 53.15 ATOM 1562 HE1 LYS 93 20.697 -27.606 7.481 1.00 38.34 ATOM 1563 HE2 LYS 93 21.066 -29.077 6.583 1.00 24.52 ATOM 1564 NZ LYS 93 22.013 -28.925 8.457 1.00 44.21 ATOM 1565 HZ1 LYS 93 22.823 -28.347 8.154 1.00 44.50 ATOM 1566 HZ2 LYS 93 22.291 -29.925 8.416 1.00 23.12 ATOM 1567 HZ3 LYS 93 21.780 -28.679 9.443 1.00 63.12 ATOM 1568 C LYS 93 17.826 -33.248 7.099 1.00 65.45 ATOM 1569 O LYS 93 18.607 -33.370 6.155 1.00 1.05 ATOM 1570 N GLY 94 17.259 -34.286 7.706 1.00 24.25 ATOM 1571 HN GLY 94 16.655 -34.151 8.468 1.00 38.34 ATOM 1572 CA GLY 94 17.542 -35.643 7.276 1.00 74.11 ATOM 1573 HA1 GLY 94 16.917 -36.323 7.836 1.00 38.34 ATOM 1574 HA2 GLY 94 18.578 -35.869 7.485 1.00 21.10 ATOM 1575 C GLY 94 17.283 -35.848 5.796 1.00 13.45 ATOM 1576 O GLY 94 18.001 -36.595 5.130 1.00 14.42 ATOM 1577 N LEU 95 16.254 -35.184 5.280 1.00 32.45 ATOM 1578 HN LEU 95 15.739 -34.566 5.847 1.00 38.34 ATOM 1579 CA LEU 95 15.900 -35.298 3.870 1.00 62.13 ATOM 1580 HA LEU 95 16.297 -36.227 3.478 1.00 42.12 ATOM 1581 CB LEU 95 14.380 -35.321 3.705 1.00 54.31 ATOM 1582 HB1 LEU 95 14.154 -35.933 2.842 1.00 38.34 ATOM 1583 HB2 LEU 95 14.033 -34.321 3.501 1.00 13.23 ATOM 1584 CG LEU 95 13.584 -35.865 4.892 1.00 51.31 ATOM 1585 HG LEU 95 13.801 -35.283 5.773 1.00 12.42 ATOM 1586 CD1 LEU 95 12.090 -35.748 4.632 1.00 41.32 ATOM 1587 HD11 LEU 95 11.682 -34.970 5.260 1.00 4.12 ATOM 1588 HD12 LEU 95 11.593 -36.682 4.858 1.00 62.44 ATOM 1589 HD13 LEU 95 11.902 -35.497 3.595 1.00 4.02 ATOM 1590 CD2 LEU 95 13.967 -37.311 5.173 1.00 55.52 ATOM 1591 HD21 LEU 95 13.249 -37.769 5.841 1.00 31.51 ATOM 1592 HD22 LEU 95 14.944 -37.342 5.630 1.00 45.04 ATOM 1593 HD23 LEU 95 13.993 -37.852 4.244 1.00 20.35 ATOM 1594 C LEU 95 16.493 -34.146 3.065 1.00 2.22 ATOM 1595 O LEU 95 16.107 -33.912 1.921 1.00 41.41 ATOM 1596 N ASN 96 17.435 -33.431 3.671 1.00 4.25 ATOM 1597 HN ASN 96 17.737 -33.656 4.556 1.00 38.34 ATOM 1598 CA ASN 96 18.083 -32.304 3.011 1.00 44.33 ATOM 1599 HA ASN 96 18.833 -31.921 3.689 1.00 34.55 ATOM 1600 CB ASN 96 18.750 -32.762 1.712 1.00 41.41 ATOM 1601 HB1 ASN 96 18.024 -32.801 0.910 1.00 38.34 ATOM 1602 HB2 ASN 96 19.163 -33.751 1.857 1.00 50.42 ATOM 1603 CG ASN 96 19.882 -31.846 1.289 1.00 3.30 ATOM 1604 OD1 ASN 96 19.837 -31.238 0.219 1.00 3.24 ATOM 1605 ND2 ASN 96 20.905 -31.743 2.129 1.00 25.33 ATOM 1606 HD21 ASN 96 20.888 -32.253 2.970 1.00 23.14 ATOM 1607 HD22 ASN 96 21.646 -31.155 1.874 1.00 32.41 ATOM 1608 C ASN 96 17.078 -31.195 2.716 1.00 41.41 ATOM 1609 O ASN 96 17.058 -30.636 1.618 1.00 13.44 ATOM 1610 N LEU 97 16.246 -30.881 3.703 1.00 51.35 ATOM 1611 HN LEU 97 16.319 -31.344 4.571 1.00 38.34 ATOM 1612 CA LEU 97 15.238 -29.837 3.550 1.00 35.51 ATOM 1613 HA LEU 97 15.083 -29.671 2.493 1.00 12.45 ATOM 1614 CB LEU 97 13.912 -30.288 4.166 1.00 73.43 ATOM 1615 HB1 LEU 97 13.154 -29.566 3.909 1.00 38.34 ATOM 1616 HB2 LEU 97 14.025 -30.293 5.243 1.00 61.35 ATOM 1617 CG LEU 97 13.416 -31.674 3.750 1.00 15.31 ATOM 1618 HG LEU 97 14.075 -32.416 4.155 1.00 75.21 ATOM 1619 CD1 LEU 97 12.021 -31.928 4.300 1.00 32.43 ATOM 1620 HD11 LEU 97 11.667 -32.893 3.963 1.00 64.14 ATOM 1621 HD12 LEU 97 11.345 -31.159 3.955 1.00 11.13 ATOM 1622 HD13 LEU 97 12.053 -31.922 5.376 1.00 33.22 ATOM 1623 CD2 LEU 97 13.426 -31.812 2.235 1.00 44.43 ATOM 1624 HD21 LEU 97 14.439 -31.741 1.867 1.00 62.42 ATOM 1625 HD22 LEU 97 12.826 -31.029 1.792 1.00 32.40 ATOM 1626 HD23 LEU 97 13.017 -32.774 1.955 1.00 12.23 ATOM 1627 C LEU 97 15.697 -28.537 4.201 1.00 40.32 ATOM 1628 O LEU 97 16.490 -28.531 5.143 1.00 74.41 ATOM 1629 N PRO 98 15.187 -27.406 3.689 1.00 21.53 ATOM 1630 CA PRO 98 15.529 -26.078 4.207 1.00 20.41 ATOM 1631 HA PRO 98 16.601 -25.930 4.226 1.00 61.45 ATOM 1632 CB PRO 98 14.902 -25.127 3.185 1.00 1.10 ATOM 1633 HB1 PRO 98 15.640 -24.868 2.441 1.00 38.34 ATOM 1634 HB2 PRO 98 14.544 -24.224 3.666 1.00 1.03 ATOM 1635 CG PRO 98 13.785 -25.904 2.580 1.00 74.24 ATOM 1636 HG1 PRO 98 13.604 -25.561 1.572 1.00 38.34 ATOM 1637 HG2 PRO 98 12.912 -25.792 3.169 1.00 32.31 ATOM 1638 CD PRO 98 14.237 -27.338 2.566 1.00 21.12 ATOM 1639 HD1 PRO 98 14.722 -27.578 1.632 1.00 38.34 ATOM 1640 HD2 PRO 98 13.405 -27.983 2.741 1.00 43.20 ATOM 1641 C PRO 98 14.946 -25.829 5.594 1.00 23.41 ATOM 1642 O PRO 98 13.803 -26.191 5.873 1.00 34.01 ATOM 1643 N THR 99 15.740 -25.209 6.462 1.00 53.32 ATOM 1644 HN THR 99 16.634 -24.930 6.169 1.00 38.34 ATOM 1645 CA THR 99 15.303 -24.912 7.820 1.00 13.11 ATOM 1646 HA THR 99 14.582 -25.660 8.130 1.00 61.53 ATOM 1647 CB THR 99 16.480 -24.960 8.812 1.00 21.41 ATOM 1648 HB THR 99 16.918 -25.948 8.778 1.00 51.13 ATOM 1649 OG1 THR 99 16.013 -24.700 10.140 1.00 34.13 ATOM 1650 HG1 THR 99 16.614 -25.095 10.777 1.00 2.43 ATOM 1651 CG2 THR 99 17.547 -23.943 8.436 1.00 32.11 ATOM 1652 HG21 THR 99 17.927 -24.151 7.450 1.00 63.45 ATOM 1653 HG22 THR 99 18.359 -24.008 9.145 1.00 5.52 ATOM 1654 HG23 THR 99 17.138 -22.945 8.463 1.00 35.42 ATOM 1655 C THR 99 14.643 -23.540 7.898 1.00 5.41 ATOM 1656 O THR 99 14.409 -23.014 8.986 1.00 2.02 ATOM 1657 N SER 100 14.346 -22.964 6.737 1.00 32.44 ATOM 1658 HN SER 100 14.541 -23.409 5.893 1.00 38.34 ATOM 1659 CA SER 100 13.716 -21.651 6.675 1.00 53.23 ATOM 1660 HA SER 100 13.947 -21.104 7.582 1.00 32.13 ATOM 1661 CB SER 100 14.260 -20.857 5.486 1.00 45.22 ATOM 1662 HB1 SER 100 13.862 -21.255 4.561 1.00 38.34 ATOM 1663 HB2 SER 100 15.338 -20.935 5.472 1.00 41.21 ATOM 1664 OG SER 100 13.913 -19.487 5.585 1.00 13.44 ATOM 1665 HG SER 100 13.010 -19.360 5.284 1.00 2.04 ATOM 1666 C SER 100 12.200 -21.780 6.563 1.00 73.35 ATOM 1667 O SER 100 11.466 -20.813 6.769 1.00 4.12 ATOM 1668 N ILE 101 11.738 -22.982 6.234 1.00 54.12 ATOM 1669 HN ILE 101 12.366 -23.721 6.103 1.00 38.34 ATOM 1670 CA ILE 101 10.310 -23.239 6.095 1.00 14.00 ATOM 1671 HA ILE 101 9.965 -22.699 5.220 1.00 4.42 ATOM 1672 CB ILE 101 10.026 -24.737 5.879 1.00 33.21 ATOM 1673 HB ILE 101 10.399 -25.269 6.731 1.00 2.53 ATOM 1674 CG1 ILE 101 10.749 -25.241 4.628 1.00 1.44 ATOM 1675 HG11 ILE 101 11.746 -24.839 4.589 1.00 38.34 ATOM 1676 HG12 ILE 101 10.214 -24.923 3.744 1.00 73.01 ATOM 1677 CG2 ILE 101 8.528 -24.982 5.766 1.00 43.40 ATOM 1678 HG21 ILE 101 8.115 -24.364 4.980 1.00 13.45 ATOM 1679 HG22 ILE 101 8.042 -24.748 6.699 1.00 71.53 ATOM 1680 HG23 ILE 101 8.344 -26.020 5.532 1.00 72.34 ATOM 1681 CD1 ILE 101 10.876 -26.747 4.569 1.00 52.23 ATOM 1682 HD11 ILE 101 11.275 -27.040 3.611 1.00 74.35 ATOM 1683 HD12 ILE 101 9.906 -27.203 4.702 1.00 42.42 ATOM 1684 HD13 ILE 101 11.540 -27.083 5.351 1.00 74.43 ATOM 1685 C ILE 101 9.543 -22.760 7.323 1.00 51.41 ATOM 1686 O ILE 101 9.783 -23.222 8.439 1.00 42.41 ATOM 1687 N THR 102 8.616 -21.830 7.110 1.00 63.22 ATOM 1688 HN THR 102 8.469 -21.494 6.194 1.00 38.34 ATOM 1689 CA THR 102 7.813 -21.288 8.198 1.00 20.13 ATOM 1690 HA THR 102 8.466 -20.714 8.841 1.00 44.43 ATOM 1691 CB THR 102 6.710 -20.352 7.670 1.00 74.10 ATOM 1692 HB THR 102 6.081 -20.896 6.983 1.00 21.30 ATOM 1693 OG1 THR 102 7.296 -19.251 6.967 1.00 3.24 ATOM 1694 HG1 THR 102 7.882 -18.743 7.545 1.00 2.52 ATOM 1695 CG2 THR 102 5.849 -19.832 8.811 1.00 2.54 ATOM 1696 HG21 THR 102 5.265 -18.994 8.459 1.00 50.45 ATOM 1697 HG22 THR 102 6.474 -19.509 9.633 1.00 14.33 ATOM 1698 HG23 THR 102 5.180 -20.610 9.149 1.00 14.55 ATOM 1699 C THR 102 7.170 -22.403 9.015 1.00 52.00 ATOM 1700 O THR 102 7.592 -22.687 10.136 1.00 14.21 ATOM 1701 N SER 103 6.147 -23.033 8.446 1.00 51.42 ATOM 1702 HN SER 103 5.885 -22.816 7.524 1.00 38.34 ATOM 1703 CA SER 103 5.443 -24.115 9.123 1.00 22.42 ATOM 1704 HA SER 103 5.525 -23.972 10.194 1.00 3.42 ATOM 1705 CB SER 103 3.960 -24.100 8.750 1.00 73.14 ATOM 1706 HB1 SER 103 3.385 -24.536 9.551 1.00 38.34 ATOM 1707 HB2 SER 103 3.791 -24.660 7.839 1.00 72.42 ATOM 1708 OG SER 103 3.502 -22.777 8.533 1.00 51.41 ATOM 1709 HG SER 103 3.322 -22.354 9.377 1.00 72.25 ATOM 1710 C SER 103 6.055 -25.467 8.768 1.00 71.13 ATOM 1711 O SER 103 5.370 -26.359 8.268 1.00 54.42 ATOM 1712 N ALA 104 7.350 -25.611 9.030 1.00 51.44 ATOM 1713 HN ALA 104 7.842 -24.878 9.461 1.00 38.34 ATOM 1714 CA ALA 104 8.055 -26.853 8.740 1.00 72.13 ATOM 1715 HA ALA 104 7.803 -27.164 7.733 1.00 13.32 ATOM 1716 CB ALA 104 9.559 -26.632 8.794 1.00 1.44 ATOM 1717 HB1 ALA 104 9.778 -25.591 8.640 1.00 42.33 ATOM 1718 HB2 ALA 104 10.029 -27.208 8.012 1.00 44.14 ATOM 1719 HB3 ALA 104 9.966 -26.938 9.749 1.00 13.31 ATOM 1720 C ALA 104 7.645 -27.956 9.710 1.00 51.13 ATOM 1721 O ALA 104 7.067 -28.966 9.308 1.00 4.42 ATOM 1722 N ALA 105 7.948 -27.756 10.988 1.00 2.01 ATOM 1723 HN ALA 105 8.397 -26.918 11.254 1.00 38.34 ATOM 1724 CA ALA 105 7.610 -28.733 12.015 1.00 30.24 ATOM 1725 HA ALA 105 8.059 -29.680 11.743 1.00 11.44 ATOM 1726 CB ALA 105 8.188 -28.310 13.358 1.00 41.35 ATOM 1727 HB1 ALA 105 7.911 -27.285 13.559 1.00 33.51 ATOM 1728 HB2 ALA 105 9.264 -28.389 13.326 1.00 22.11 ATOM 1729 HB3 ALA 105 7.808 -28.942 14.144 1.00 22.23 ATOM 1730 C ALA 105 6.100 -28.917 12.122 1.00 30.30 ATOM 1731 O ALA 105 5.620 -29.980 12.518 1.00 44.12 ATOM 1732 N PHE 106 5.355 -27.876 11.767 1.00 1.52 ATOM 1733 HN PHE 106 5.786 -27.041 11.473 1.00 38.34 ATOM 1734 CA PHE 106 3.899 -27.922 11.825 1.00 73.02 ATOM 1735 HA PHE 106 3.622 -28.399 12.749 1.00 65.04 ATOM 1736 CB PHE 106 3.320 -26.506 11.787 1.00 61.11 ATOM 1737 HB1 PHE 106 2.995 -26.267 10.781 1.00 38.34 ATOM 1738 HB2 PHE 106 4.092 -25.798 12.070 1.00 3.42 ATOM 1739 CG PHE 106 2.158 -26.308 12.717 1.00 34.41 ATOM 1740 CD1 PHE 106 0.857 -26.453 12.262 1.00 11.12 ATOM 1741 HD1 PHE 106 0.678 -26.712 11.227 1.00 40.02 ATOM 1742 CD2 PHE 106 2.366 -25.977 14.046 1.00 35.45 ATOM 1743 HD2 PHE 106 3.376 -25.861 14.417 1.00 2.44 ATOM 1744 CE1 PHE 106 -0.215 -26.272 13.116 1.00 73.13 ATOM 1745 HE1 PHE 106 -1.224 -26.387 12.749 1.00 60.34 ATOM 1746 CE2 PHE 106 1.298 -25.796 14.905 1.00 55.24 ATOM 1747 HE2 PHE 106 1.473 -25.538 15.939 1.00 32.53 ATOM 1748 CZ PHE 106 0.006 -25.942 14.438 1.00 34.04 ATOM 1749 HZ PHE 106 -0.830 -25.800 15.107 1.00 15.00 ATOM 1750 C PHE 106 3.335 -28.745 10.670 1.00 33.13 ATOM 1751 O PHE 106 2.462 -29.592 10.864 1.00 72.01 ATOM 1752 N THR 107 3.840 -28.490 9.467 1.00 14.32 ATOM 1753 HN THR 107 4.539 -27.801 9.370 1.00 38.34 ATOM 1754 CA THR 107 3.386 -29.204 8.281 1.00 63.33 ATOM 1755 HA THR 107 2.302 -29.207 8.276 1.00 11.21 ATOM 1756 CB THR 107 3.865 -28.512 6.991 1.00 65.23 ATOM 1757 HB THR 107 4.941 -28.444 7.016 1.00 51.23 ATOM 1758 OG1 THR 107 3.319 -27.191 6.912 1.00 41.03 ATOM 1759 HG1 THR 107 3.882 -26.641 6.361 1.00 34.11 ATOM 1760 CG2 THR 107 3.454 -29.311 5.763 1.00 0.12 ATOM 1761 HG21 THR 107 2.408 -29.580 5.830 1.00 65.03 ATOM 1762 HG22 THR 107 4.053 -30.205 5.683 1.00 22.32 ATOM 1763 HG23 THR 107 3.606 -28.705 4.882 1.00 12.13 ATOM 1764 C THR 107 3.881 -30.646 8.284 1.00 25.05 ATOM 1765 O THR 107 3.184 -31.554 7.831 1.00 33.21 ATOM 1766 N LEU 108 5.089 -30.850 8.799 1.00 20.40 ATOM 1767 HN LEU 108 5.611 -30.085 9.136 1.00 38.34 ATOM 1768 CA LEU 108 5.678 -32.184 8.863 1.00 50.53 ATOM 1769 HA LEU 108 5.689 -32.597 7.863 1.00 30.30 ATOM 1770 CB LEU 108 7.114 -32.104 9.383 1.00 43.33 ATOM 1771 HB1 LEU 108 7.432 -33.096 9.679 1.00 38.34 ATOM 1772 HB2 LEU 108 7.099 -31.482 10.269 1.00 74.24 ATOM 1773 CG LEU 108 8.151 -31.544 8.408 1.00 51.11 ATOM 1774 HG LEU 108 7.748 -30.679 7.919 1.00 43.22 ATOM 1775 CD1 LEU 108 9.407 -31.118 9.151 1.00 25.23 ATOM 1776 HD11 LEU 108 9.716 -30.161 8.775 1.00 42.04 ATOM 1777 HD12 LEU 108 10.202 -31.838 9.010 1.00 15.51 ATOM 1778 HD13 LEU 108 9.209 -31.023 10.211 1.00 45.44 ATOM 1779 CD2 LEU 108 8.485 -32.572 7.337 1.00 42.44 ATOM 1780 HD21 LEU 108 9.208 -32.157 6.648 1.00 1.42 ATOM 1781 HD22 LEU 108 7.589 -32.835 6.794 1.00 24.32 ATOM 1782 HD23 LEU 108 8.898 -33.459 7.798 1.00 73.44 ATOM 1783 C LEU 108 4.851 -33.102 9.757 1.00 5.23 ATOM 1784 O LEU 108 4.576 -34.248 9.402 1.00 41.24 ATOM 1785 N ARG 109 4.457 -32.590 10.919 1.00 41.14 ATOM 1786 HN ARG 109 4.717 -31.668 11.156 1.00 38.34 ATOM 1787 CA ARG 109 3.661 -33.364 11.864 1.00 50.44 ATOM 1788 HA ARG 109 4.242 -34.213 12.179 1.00 64.54 ATOM 1789 CB ARG 109 3.315 -32.514 13.088 1.00 42.44 ATOM 1790 HB1 ARG 109 2.947 -31.556 12.748 1.00 38.34 ATOM 1791 HB2 ARG 109 4.219 -32.360 13.662 1.00 44.14 ATOM 1792 CG ARG 109 2.258 -33.138 13.984 1.00 61.03 ATOM 1793 HG1 ARG 109 2.467 -34.194 14.100 1.00 38.34 ATOM 1794 HG2 ARG 109 1.287 -33.013 13.526 1.00 64.32 ATOM 1795 CD ARG 109 2.244 -32.493 15.361 1.00 74.12 ATOM 1796 HD1 ARG 109 3.209 -32.065 15.598 1.00 38.34 ATOM 1797 HD2 ARG 109 2.028 -33.267 16.077 1.00 3.15 ATOM 1798 NE ARG 109 1.196 -31.483 15.481 1.00 41.40 ATOM 1799 HE ARG 109 0.337 -31.773 15.815 1.00 31.52 ATOM 1800 CZ ARG 109 1.357 -30.212 15.129 1.00 10.10 ATOM 1801 NH1 ARG 109 2.517 -29.799 14.637 1.00 12.52 ATOM 1802 HH11 ARG 109 3.288 -30.405 14.522 1.00 2.41 ATOM 1803 HH12 ARG 109 2.621 -28.836 14.393 1.00 71.32 ATOM 1804 NH2 ARG 109 0.356 -29.352 15.268 1.00 2.24 ATOM 1805 HH21 ARG 109 -0.525 -29.654 15.633 1.00 44.24 ATOM 1806 HH22 ARG 109 0.480 -28.405 15.010 1.00 3.24 ATOM 1807 C ARG 109 2.381 -33.873 11.207 1.00 24.30 ATOM 1808 O ARG 109 2.101 -35.073 11.215 1.00 42.54 ATOM 1809 N THR 110 1.607 -32.954 10.639 1.00 13.14 ATOM 1810 HN THR 110 1.887 -32.007 10.660 1.00 38.34 ATOM 1811 CA THR 110 0.356 -33.309 9.980 1.00 24.21 ATOM 1812 HA THR 110 -0.254 -33.861 10.685 1.00 41.51 ATOM 1813 CB THR 110 -0.427 -32.055 9.548 1.00 32.34 ATOM 1814 HB THR 110 0.190 -31.472 8.878 1.00 44.11 ATOM 1815 OG1 THR 110 -0.747 -31.259 10.695 1.00 41.34 ATOM 1816 HG1 THR 110 -1.284 -31.758 11.325 1.00 4.14 ATOM 1817 CG2 THR 110 -1.706 -32.440 8.820 1.00 63.44 ATOM 1818 HG21 THR 110 -1.472 -32.777 7.821 1.00 25.54 ATOM 1819 HG22 THR 110 -2.352 -31.577 8.760 1.00 30.34 ATOM 1820 HG23 THR 110 -2.217 -33.228 9.357 1.00 75.05 ATOM 1821 C THR 110 0.609 -34.183 8.757 1.00 51.13 ATOM 1822 O THR 110 0.025 -35.257 8.620 1.00 73.34 ATOM 1823 N GLN 111 1.483 -33.715 7.871 1.00 13.02 ATOM 1824 HN GLN 111 1.916 -32.844 8.036 1.00 38.34 ATOM 1825 CA GLN 111 1.812 -34.455 6.659 1.00 73.31 ATOM 1826 HA GLN 111 0.923 -34.524 6.071 1.00 53.43 ATOM 1827 CB GLN 111 2.912 -33.734 5.878 1.00 13.22 ATOM 1828 HB1 GLN 111 3.344 -34.419 5.158 1.00 38.34 ATOM 1829 HB2 GLN 111 3.686 -33.421 6.557 1.00 62.44 ATOM 1830 CG GLN 111 2.416 -32.521 5.108 1.00 14.31 ATOM 1831 HG1 GLN 111 3.225 -32.138 4.504 1.00 38.34 ATOM 1832 HG2 GLN 111 2.103 -31.766 5.808 1.00 72.52 ATOM 1833 CD GLN 111 1.245 -32.844 4.200 1.00 25.32 ATOM 1834 OE1 GLN 111 1.055 -33.993 3.799 1.00 1.22 ATOM 1835 NE2 GLN 111 0.453 -31.831 3.871 1.00 44.32 ATOM 1836 HE21 GLN 111 0.653 -30.933 4.221 1.00 61.33 ATOM 1837 HE22 GLN 111 -0.309 -32.020 3.285 1.00 63.14 ATOM 1838 C GLN 111 2.256 -35.876 6.992 1.00 3.41 ATOM 1839 O GLN 111 2.010 -36.809 6.228 1.00 63.11 ATOM 1840 N TYR 112 2.912 -36.032 8.137 1.00 40.43 ATOM 1841 HN TYR 112 3.103 -35.250 8.704 1.00 38.34 ATOM 1842 CA TYR 112 3.394 -37.338 8.570 1.00 54.13 ATOM 1843 HA TYR 112 3.823 -37.847 7.715 1.00 4.25 ATOM 1844 CB TYR 112 4.479 -37.177 9.635 1.00 22.12 ATOM 1845 HB1 TYR 112 4.105 -36.532 10.420 1.00 38.34 ATOM 1846 HB2 TYR 112 5.344 -36.708 9.184 1.00 30.40 ATOM 1847 CG TYR 112 4.913 -38.484 10.260 1.00 42.04 ATOM 1848 CD1 TYR 112 4.225 -39.023 11.339 1.00 22.25 ATOM 1849 HD1 TYR 112 3.373 -38.496 11.734 1.00 61.22 ATOM 1850 CD2 TYR 112 6.011 -39.180 9.769 1.00 70.24 ATOM 1851 HD2 TYR 112 6.560 -38.780 8.936 1.00 25.25 ATOM 1852 CE1 TYR 112 4.619 -40.216 11.913 1.00 32.54 ATOM 1853 HE1 TYR 112 4.065 -40.623 12.742 1.00 64.22 ATOM 1854 CE2 TYR 112 6.411 -40.375 10.335 1.00 11.13 ATOM 1855 HE2 TYR 112 7.263 -40.895 9.939 1.00 50.41 ATOM 1856 CZ TYR 112 5.712 -40.889 11.408 1.00 50.33 ATOM 1857 OH TYR 112 6.106 -42.078 11.976 1.00 63.43 ATOM 1858 HH TYR 112 6.935 -41.958 12.449 1.00 53.31 ATOM 1859 C TYR 112 2.250 -38.186 9.117 1.00 33.21 ATOM 1860 O TYR 112 1.987 -39.284 8.627 1.00 20.12 ATOM 1861 N MET 113 1.572 -37.668 10.136 1.00 4.41 ATOM 1862 HN MET 113 1.831 -36.782 10.486 1.00 38.34 ATOM 1863 CA MET 113 0.455 -38.376 10.750 1.00 51.31 ATOM 1864 HA MET 113 0.831 -39.300 11.154 1.00 5.10 ATOM 1865 CB MET 113 -0.141 -37.544 11.887 1.00 11.30 ATOM 1866 HB1 MET 113 -0.825 -36.812 11.471 1.00 38.34 ATOM 1867 HB2 MET 113 0.662 -37.019 12.389 1.00 41.14 ATOM 1868 CG MET 113 -0.870 -38.375 12.931 1.00 44.42 ATOM 1869 HG1 MET 113 -0.155 -38.735 13.650 1.00 38.34 ATOM 1870 HG2 MET 113 -1.347 -39.219 12.449 1.00 51.54 ATOM 1871 SD MET 113 -2.139 -37.437 13.803 1.00 60.01 ATOM 1872 CE MET 113 -1.204 -35.999 14.318 1.00 42.11 ATOM 1873 HE1 MET 113 -0.851 -35.463 13.450 1.00 13.14 ATOM 1874 HE2 MET 113 -0.362 -36.311 14.917 1.00 72.32 ATOM 1875 HE3 MET 113 -1.841 -35.352 14.900 1.00 22.33 ATOM 1876 C MET 113 -0.622 -38.691 9.717 1.00 60.43 ATOM 1877 O MET 113 -1.446 -39.584 9.917 1.00 53.33 ATOM 1878 N LYS 114 -0.610 -37.954 8.612 1.00 44.14 ATOM 1879 HN LYS 114 0.014 -37.203 8.529 1.00 38.34 ATOM 1880 CA LYS 114 -1.584 -38.155 7.546 1.00 72.21 ATOM 1881 HA LYS 114 -2.574 -38.032 7.969 1.00 20.32 ATOM 1882 CB LYS 114 -1.374 -37.126 6.433 1.00 1.22 ATOM 1883 HB1 LYS 114 -1.591 -37.588 5.477 1.00 38.34 ATOM 1884 HB2 LYS 114 -0.345 -36.807 6.433 1.00 73.35 ATOM 1885 CG LYS 114 -2.252 -35.894 6.570 1.00 2.04 ATOM 1886 HG1 LYS 114 -2.030 -35.402 7.501 1.00 38.34 ATOM 1887 HG2 LYS 114 -3.289 -36.202 6.571 1.00 23.14 ATOM 1888 CD LYS 114 -2.025 -34.918 5.428 1.00 11.44 ATOM 1889 HD1 LYS 114 -0.978 -34.679 5.362 1.00 38.34 ATOM 1890 HD2 LYS 114 -2.585 -34.016 5.631 1.00 50.32 ATOM 1891 CE LYS 114 -2.484 -35.498 4.099 1.00 24.14 ATOM 1892 HE1 LYS 114 -3.271 -36.224 4.264 1.00 38.34 ATOM 1893 HE2 LYS 114 -1.652 -35.977 3.632 1.00 30.32 ATOM 1894 NZ LYS 114 -2.997 -34.444 3.181 1.00 31.13 ATOM 1895 HZ1 LYS 114 -2.252 -33.745 2.980 1.00 41.44 ATOM 1896 HZ2 LYS 114 -3.810 -33.955 3.609 1.00 5.24 ATOM 1897 HZ3 LYS 114 -3.302 -34.873 2.284 1.00 15.21 ATOM 1898 C LYS 114 -1.482 -39.566 6.974 1.00 4.41 ATOM 1899 O LYS 114 -2.480 -40.278 6.870 1.00 14.03 ATOM 1900 N TYR 115 -0.269 -39.963 6.606 1.00 3.11 ATOM 1901 HN TYR 115 0.499 -39.356 6.722 1.00 38.34 ATOM 1902 CA TYR 115 -0.036 -41.288 6.044 1.00 32.00 ATOM 1903 HA TYR 115 -0.986 -41.729 5.789 1.00 13.53 ATOM 1904 CB TYR 115 0.807 -41.185 4.772 1.00 54.33 ATOM 1905 HB1 TYR 115 0.911 -42.162 4.324 1.00 38.34 ATOM 1906 HB2 TYR 115 1.795 -40.824 5.037 1.00 71.11 ATOM 1907 CG TYR 115 0.235 -40.236 3.742 1.00 5.35 ATOM 1908 CD1 TYR 115 -0.500 -40.710 2.663 1.00 20.14 ATOM 1909 HD1 TYR 115 -0.661 -41.761 2.564 1.00 60.12 ATOM 1910 CD2 TYR 115 0.431 -38.864 3.850 1.00 74.12 ATOM 1911 HD2 TYR 115 1.000 -38.475 4.683 1.00 64.54 ATOM 1912 CE1 TYR 115 -1.023 -39.847 1.720 1.00 2.45 ATOM 1913 HE1 TYR 115 -1.594 -40.235 0.891 1.00 13.23 ATOM 1914 CE2 TYR 115 -0.090 -37.993 2.912 1.00 22.03 ATOM 1915 HE2 TYR 115 0.081 -36.933 3.010 1.00 55.14 ATOM 1916 CZ TYR 115 -0.815 -38.489 1.849 1.00 33.13 ATOM 1917 OH TYR 115 -1.336 -37.626 0.913 1.00 42.42 ATOM 1918 HH TYR 115 -2.289 -37.555 1.028 1.00 52.35 ATOM 1919 C TYR 115 0.659 -42.195 7.055 1.00 15.45 ATOM 1920 O TYR 115 0.194 -43.300 7.338 1.00 2.13 ATOM 1921 N LEU 116 1.774 -41.719 7.598 1.00 12.20 ATOM 1922 HN LEU 116 2.091 -40.819 7.344 1.00 38.34 ATOM 1923 CA LEU 116 2.534 -42.485 8.580 1.00 44.45 ATOM 1924 HA LEU 116 2.448 -43.539 8.332 1.00 63.43 ATOM 1925 CB LEU 116 4.014 -42.103 8.518 1.00 64.14 ATOM 1926 HB1 LEU 116 4.565 -42.765 9.174 1.00 38.34 ATOM 1927 HB2 LEU 116 4.111 -41.092 8.901 1.00 34.31 ATOM 1928 CG LEU 116 4.662 -42.147 7.133 1.00 74.51 ATOM 1929 HG LEU 116 4.055 -41.587 6.437 1.00 10.15 ATOM 1930 CD1 LEU 116 6.039 -41.505 7.167 1.00 45.31 ATOM 1931 HD11 LEU 116 5.927 -40.438 7.290 1.00 23.42 ATOM 1932 HD12 LEU 116 6.565 -41.700 6.241 1.00 70.43 ATOM 1933 HD13 LEU 116 6.609 -41.896 7.995 1.00 10.50 ATOM 1934 CD2 LEU 116 4.752 -43.582 6.632 1.00 3.43 ATOM 1935 HD21 LEU 116 5.198 -43.597 5.647 1.00 12.52 ATOM 1936 HD22 LEU 116 3.761 -44.003 6.578 1.00 3.43 ATOM 1937 HD23 LEU 116 5.357 -44.170 7.309 1.00 15.14 ATOM 1938 C LEU 116 1.996 -42.252 9.988 1.00 40.04 ATOM 1939 O LEU 116 1.976 -41.122 10.477 1.00 73.24 ATOM 1940 N TYR 117 1.563 -43.328 10.635 1.00 71.02 ATOM 1941 HN TYR 117 1.672 -44.215 10.217 1.00 38.34 ATOM 1942 CA TYR 117 1.024 -43.241 11.987 1.00 63.30 ATOM 1943 HA TYR 117 1.815 -42.901 12.641 1.00 14.50 ATOM 1944 CB TYR 117 -0.127 -42.236 12.036 1.00 14.12 ATOM 1945 HB1 TYR 117 -0.631 -42.181 11.086 1.00 38.34 ATOM 1946 HB2 TYR 117 0.294 -41.263 12.251 1.00 70.13 ATOM 1947 CG TYR 117 -1.134 -42.521 13.128 1.00 3.22 ATOM 1948 CD1 TYR 117 -2.485 -42.658 12.836 1.00 11.14 ATOM 1949 HD1 TYR 117 -2.821 -42.551 11.816 1.00 52.41 ATOM 1950 CD2 TYR 117 -0.733 -42.654 14.452 1.00 45.11 ATOM 1951 HD2 TYR 117 0.315 -42.551 14.700 1.00 60.12 ATOM 1952 CE1 TYR 117 -3.408 -42.917 13.831 1.00 22.41 ATOM 1953 HE1 TYR 117 -4.454 -43.020 13.583 1.00 33.14 ATOM 1954 CE2 TYR 117 -1.648 -42.915 15.453 1.00 51.10 ATOM 1955 HE2 TYR 117 -1.316 -43.015 16.476 1.00 13.23 ATOM 1956 CZ TYR 117 -2.985 -43.045 15.138 1.00 65.33 ATOM 1957 OH TYR 117 -3.900 -43.305 16.131 1.00 35.22 ATOM 1958 HH TYR 117 -4.197 -44.218 16.071 1.00 43.34 ATOM 1959 C TYR 117 0.544 -44.606 12.471 1.00 73.25 ATOM 1960 O TYR 117 0.997 -45.128 13.489 1.00 3.44 ATOM 1961 N PRO 118 -0.397 -45.200 11.722 1.00 73.23 ATOM 1962 CA PRO 118 -0.960 -46.513 12.052 1.00 12.34 ATOM 1963 HA PRO 118 -1.336 -46.540 13.065 1.00 31.24 ATOM 1964 CB PRO 118 -2.124 -46.658 11.068 1.00 4.12 ATOM 1965 HB1 PRO 118 -3.017 -46.300 11.543 1.00 38.34 ATOM 1966 HB2 PRO 118 -2.265 -47.688 10.775 1.00 43.33 ATOM 1967 CG PRO 118 -1.754 -45.790 9.915 1.00 75.43 ATOM 1968 HG1 PRO 118 -2.647 -45.434 9.423 1.00 38.34 ATOM 1969 HG2 PRO 118 -1.137 -46.340 9.221 1.00 11.11 ATOM 1970 CD PRO 118 -0.984 -44.637 10.494 1.00 1.53 ATOM 1971 HD1 PRO 118 -1.664 -43.848 10.701 1.00 38.34 ATOM 1972 HD2 PRO 118 -0.245 -44.323 9.788 1.00 73.31 ATOM 1973 C PRO 118 0.047 -47.641 11.857 1.00 34.21 ATOM 1974 O PRO 118 0.034 -48.631 12.589 1.00 74.20 ATOM 1975 N TYR 119 0.918 -47.485 10.867 1.00 71.43 ATOM 1976 HN TYR 119 0.883 -46.674 10.308 1.00 38.34 ATOM 1977 CA TYR 119 1.931 -48.493 10.574 1.00 12.43 ATOM 1978 HA TYR 119 1.461 -49.468 10.602 1.00 5.24 ATOM 1979 CB TYR 119 2.519 -48.265 9.181 1.00 43.21 ATOM 1980 HB1 TYR 119 3.140 -47.376 9.191 1.00 38.34 ATOM 1981 HB2 TYR 119 1.705 -48.112 8.484 1.00 4.51 ATOM 1982 CG TYR 119 3.340 -49.428 8.673 1.00 63.42 ATOM 1983 CD1 TYR 119 4.704 -49.295 8.445 1.00 43.24 ATOM 1984 HD1 TYR 119 5.181 -48.343 8.634 1.00 30.02 ATOM 1985 CD2 TYR 119 2.752 -50.662 8.422 1.00 51.12 ATOM 1986 HD2 TYR 119 1.707 -50.791 8.607 1.00 23.10 ATOM 1987 CE1 TYR 119 5.458 -50.355 7.980 1.00 51.04 ATOM 1988 HE1 TYR 119 6.517 -50.231 7.810 1.00 70.22 ATOM 1989 CE2 TYR 119 3.498 -51.728 7.958 1.00 21.11 ATOM 1990 HE2 TYR 119 3.021 -52.679 7.769 1.00 71.44 ATOM 1991 CZ TYR 119 4.850 -51.570 7.738 1.00 5.51 ATOM 1992 OH TYR 119 5.598 -52.629 7.276 1.00 0.53 ATOM 1993 HH TYR 119 6.159 -52.966 7.981 1.00 74.33 ATOM 1994 C TYR 119 3.043 -48.466 11.619 1.00 74.43 ATOM 1995 O TYR 119 3.547 -49.511 12.030 1.00 50.23 ATOM 1996 N GLU 120 3.418 -47.264 12.043 1.00 24.05 ATOM 1997 HN GLU 120 2.986 -46.459 11.671 1.00 38.34 ATOM 1998 CA GLU 120 4.470 -47.101 13.040 1.00 65.01 ATOM 1999 HA GLU 120 5.344 -47.643 12.705 1.00 61.34 ATOM 2000 CB GLU 120 4.834 -45.623 13.192 1.00 5.34 ATOM 2001 HB1 GLU 120 3.949 -45.075 13.490 1.00 38.34 ATOM 2002 HB2 GLU 120 5.161 -45.244 12.236 1.00 12.21 ATOM 2003 CG GLU 120 5.940 -45.369 14.204 1.00 70.25 ATOM 2004 HG1 GLU 120 6.543 -44.546 13.849 1.00 38.34 ATOM 2005 HG2 GLU 120 6.564 -46.249 14.295 1.00 13.14 ATOM 2006 CD GLU 120 5.404 -45.008 15.575 1.00 23.14 ATOM 2007 OE1 GLU 120 5.558 -45.825 16.507 1.00 71.21 ATOM 2008 OE2 GLU 120 4.831 -43.907 15.717 1.00 64.31 ATOM 2009 C GLU 120 4.037 -47.671 14.387 1.00 12.03 ATOM 2010 O GLU 120 4.842 -48.254 15.115 1.00 74.24 ATOM 2011 N CYS 121 2.761 -47.497 14.713 1.00 32.51 ATOM 2012 HN CYS 121 2.159 -47.019 14.096 1.00 38.34 ATOM 2013 CA CYS 121 2.219 -47.993 15.974 1.00 42.14 ATOM 2014 HA CYS 121 2.959 -47.834 16.741 1.00 61.51 ATOM 2015 CB CYS 121 0.946 -47.230 16.340 1.00 35.04 ATOM 2016 HB1 CYS 121 0.410 -47.765 17.115 1.00 38.34 ATOM 2017 HB2 CYS 121 0.316 -47.152 15.467 1.00 41.41 ATOM 2018 SG CYS 121 1.239 -45.554 16.953 1.00 63.31 ATOM 2019 HG CYS 121 2.371 -45.562 17.641 1.00 74.20 ATOM 2020 C CYS 121 1.925 -49.487 15.889 1.00 21.11 ATOM 2021 O CYS 121 2.128 -50.224 16.853 1.00 30.41 ATOM 2022 N GLU 122 1.444 -49.926 14.730 1.00 44.22 ATOM 2023 HN GLU 122 1.294 -49.290 13.991 1.00 38.34 ATOM 2024 CA GLU 122 1.120 -51.332 14.521 1.00 31.03 ATOM 2025 HA GLU 122 0.568 -51.684 15.386 1.00 32.22 ATOM 2026 CB GLU 122 0.245 -51.497 13.277 1.00 62.42 ATOM 2027 HB1 GLU 122 0.842 -51.317 12.392 1.00 38.34 ATOM 2028 HB2 GLU 122 -0.547 -50.763 13.313 1.00 73.24 ATOM 2029 CG GLU 122 -0.385 -52.875 13.154 1.00 3.33 ATOM 2030 HG1 GLU 122 0.283 -53.626 13.548 1.00 38.34 ATOM 2031 HG2 GLU 122 -0.559 -53.079 12.115 1.00 12.22 ATOM 2032 CD GLU 122 -1.709 -52.978 13.886 1.00 2.11 ATOM 2033 OE1 GLU 122 -2.731 -52.524 13.331 1.00 0.22 ATOM 2034 OE2 GLU 122 -1.722 -53.513 15.014 1.00 31.53 ATOM 2035 C GLU 122 2.389 -52.168 14.379 1.00 13.13 ATOM 2036 O GLU 122 2.409 -53.350 14.723 1.00 62.01 ATOM 2037 N LYS 123 3.446 -51.545 13.870 1.00 62.42 ATOM 2038 HN LYS 123 3.380 -50.599 13.606 1.00 38.34 ATOM 2039 CA LYS 123 4.720 -52.229 13.682 1.00 62.21 ATOM 2040 HA LYS 123 4.526 -53.276 13.496 1.00 61.32 ATOM 2041 CB LYS 123 5.472 -51.633 12.489 1.00 14.14 ATOM 2042 HB1 LYS 123 6.486 -52.019 12.478 1.00 38.34 ATOM 2043 HB2 LYS 123 5.518 -50.564 12.602 1.00 22.13 ATOM 2044 CG LYS 123 4.837 -51.955 11.148 1.00 73.03 ATOM 2045 HG1 LYS 123 5.392 -51.439 10.390 1.00 38.34 ATOM 2046 HG2 LYS 123 3.817 -51.605 11.148 1.00 54.03 ATOM 2047 CD LYS 123 4.875 -53.446 10.856 1.00 3.21 ATOM 2048 HD1 LYS 123 5.258 -53.999 11.702 1.00 38.34 ATOM 2049 HD2 LYS 123 5.530 -53.605 10.012 1.00 62.31 ATOM 2050 CE LYS 123 3.496 -53.981 10.503 1.00 12.45 ATOM 2051 HE1 LYS 123 2.901 -53.212 10.039 1.00 38.34 ATOM 2052 HE2 LYS 123 3.011 -54.297 11.414 1.00 31.22 ATOM 2053 NZ LYS 123 3.572 -55.148 9.582 1.00 24.12 ATOM 2054 HZ1 LYS 123 4.043 -54.878 8.693 1.00 43.34 ATOM 2055 HZ2 LYS 123 2.615 -55.488 9.361 1.00 73.22 ATOM 2056 HZ3 LYS 123 4.107 -55.924 10.025 1.00 74.21 ATOM 2057 C LYS 123 5.580 -52.132 14.938 1.00 21.40 ATOM 2058 O LYS 123 6.301 -53.069 15.281 1.00 23.25 ATOM 2059 N ARG 124 5.498 -50.995 15.620 1.00 54.31 ATOM 2060 HN ARG 124 4.924 -50.264 15.298 1.00 38.34 ATOM 2061 CA ARG 124 6.268 -50.777 16.838 1.00 2.41 ATOM 2062 HA ARG 124 6.799 -51.681 17.092 1.00 1.51 ATOM 2063 CB ARG 124 7.273 -49.641 16.635 1.00 64.43 ATOM 2064 HB1 ARG 124 7.383 -49.078 17.551 1.00 38.34 ATOM 2065 HB2 ARG 124 6.908 -48.975 15.872 1.00 41.41 ATOM 2066 CG ARG 124 8.651 -50.117 16.202 1.00 35.54 ATOM 2067 HG1 ARG 124 9.179 -49.286 15.757 1.00 38.34 ATOM 2068 HG2 ARG 124 8.547 -50.908 15.471 1.00 22.22 ATOM 2069 CD ARG 124 9.458 -50.633 17.383 1.00 31.14 ATOM 2070 HD1 ARG 124 8.817 -51.190 18.056 1.00 38.34 ATOM 2071 HD2 ARG 124 9.860 -49.780 17.911 1.00 52.23 ATOM 2072 NE ARG 124 10.572 -51.476 16.958 1.00 4.24 ATOM 2073 HE ARG 124 11.461 -51.060 16.918 1.00 62.24 ATOM 2074 CZ ARG 124 10.442 -52.756 16.629 1.00 53.14 ATOM 2075 NH1 ARG 124 9.251 -53.337 16.674 1.00 21.52 ATOM 2076 HH11 ARG 124 8.440 -52.841 16.948 1.00 62.52 ATOM 2077 HH12 ARG 124 9.165 -54.304 16.425 1.00 22.31 ATOM 2078 NH2 ARG 124 11.503 -53.457 16.252 1.00 44.13 ATOM 2079 HH21 ARG 124 12.406 -53.023 16.214 1.00 54.21 ATOM 2080 HH22 ARG 124 11.407 -54.423 16.004 1.00 62.02 ATOM 2081 C ARG 124 5.349 -50.452 18.012 1.00 21.21 ATOM 2082 O ARG 124 5.118 -51.290 18.883 1.00 71.13 ATOM 2083 N GLY 125 4.828 -49.229 18.029 1.00 72.01 ATOM 2084 HN GLY 125 5.015 -48.596 17.301 1.00 38.34 ATOM 2085 CA GLY 125 3.941 -48.815 19.100 1.00 32.33 ATOM 2086 HA1 GLY 125 3.437 -49.675 19.525 1.00 38.34 ATOM 2087 HA2 GLY 125 3.195 -48.152 18.697 1.00 25.42 ATOM 2088 C GLY 125 4.672 -48.084 20.208 1.00 10.34 ATOM 2089 O GLY 125 4.257 -48.122 21.367 1.00 33.24 ATOM 2090 N LEU 126 5.764 -47.416 19.854 1.00 65.31 ATOM 2091 HN LEU 126 6.008 -47.376 18.904 1.00 38.34 ATOM 2092 CA LEU 126 6.557 -46.673 20.828 1.00 60.54 ATOM 2093 HA LEU 126 7.013 -47.386 21.499 1.00 33.33 ATOM 2094 CB LEU 126 7.659 -45.882 20.121 1.00 54.14 ATOM 2095 HB1 LEU 126 8.335 -45.519 20.885 1.00 38.34 ATOM 2096 HB2 LEU 126 7.198 -45.015 19.658 1.00 54.24 ATOM 2097 CG LEU 126 8.464 -46.645 19.068 1.00 14.02 ATOM 2098 HG LEU 126 8.044 -47.623 18.909 1.00 73.54 ATOM 2099 CD1 LEU 126 8.434 -45.910 17.737 1.00 1.01 ATOM 2100 HD11 LEU 126 7.545 -45.304 17.652 1.00 11.03 ATOM 2101 HD12 LEU 126 8.434 -46.637 16.939 1.00 61.53 ATOM 2102 HD13 LEU 126 9.305 -45.278 17.630 1.00 34.40 ATOM 2103 CD2 LEU 126 9.897 -46.847 19.536 1.00 4.13 ATOM 2104 HD21 LEU 126 10.372 -45.887 19.684 1.00 52.13 ATOM 2105 HD22 LEU 126 10.446 -47.408 18.792 1.00 51.21 ATOM 2106 HD23 LEU 126 9.900 -47.396 20.468 1.00 31.51 ATOM 2107 C LEU 126 5.677 -45.728 21.639 1.00 74.40 ATOM 2108 O LEU 126 5.832 -45.609 22.854 1.00 4.41 ATOM 2109 N SER 127 4.750 -45.061 20.959 1.00 42.32 ATOM 2110 HN SER 127 4.666 -45.186 19.987 1.00 38.34 ATOM 2111 CA SER 127 3.845 -44.125 21.616 1.00 4.11 ATOM 2112 HA SER 127 4.087 -44.077 22.669 1.00 62.03 ATOM 2113 CB SER 127 4.005 -42.725 21.021 1.00 41.34 ATOM 2114 HB1 SER 127 3.611 -42.003 21.708 1.00 38.34 ATOM 2115 HB2 SER 127 3.473 -42.657 20.080 1.00 20.30 ATOM 2116 OG SER 127 5.369 -42.425 20.782 1.00 43.35 ATOM 2117 HG SER 127 5.790 -42.157 21.603 1.00 22.25 ATOM 2118 C SER 127 2.397 -44.585 21.482 1.00 51.30 ATOM 2119 O SER 127 2.078 -45.432 20.649 1.00 30.34 ATOM 2120 N ASN 128 1.524 -44.018 22.309 1.00 71.32 ATOM 2121 HN ASN 128 1.831 -43.353 22.934 1.00 38.34 ATOM 2122 CA ASN 128 0.109 -44.370 22.284 1.00 53.20 ATOM 2123 HA ASN 128 -0.010 -45.269 21.693 1.00 20.50 ATOM 2124 CB ASN 128 -0.391 -44.659 23.701 1.00 72.42 ATOM 2125 HB1 ASN 128 -1.085 -45.483 23.665 1.00 38.34 ATOM 2126 HB2 ASN 128 -0.899 -43.792 24.106 1.00 64.41 ATOM 2127 CG ASN 128 0.733 -45.047 24.642 1.00 34.23 ATOM 2128 OD1 ASN 128 1.305 -46.132 24.531 1.00 53.54 ATOM 2129 ND2 ASN 128 1.054 -44.160 25.577 1.00 72.11 ATOM 2130 HD21 ASN 128 0.564 -43.308 25.622 1.00 10.13 ATOM 2131 HD22 ASN 128 1.778 -44.393 26.195 1.00 43.24 ATOM 2132 C ASN 128 -0.719 -43.250 21.660 1.00 61.44 ATOM 2133 O ASN 128 -0.303 -42.093 21.606 1.00 42.13 ATOM 2134 N PRO 129 -1.920 -43.601 21.177 1.00 60.44 ATOM 2135 CA PRO 129 -2.832 -42.641 20.548 1.00 10.04 ATOM 2136 HA PRO 129 -2.347 -42.097 19.750 1.00 64.34 ATOM 2137 CB PRO 129 -3.936 -43.528 19.967 1.00 10.05 ATOM 2138 HB1 PRO 129 -3.702 -43.760 18.939 1.00 38.34 ATOM 2139 HB2 PRO 129 -4.897 -43.030 20.014 1.00 41.32 ATOM 2140 CG PRO 129 -3.916 -44.758 20.808 1.00 4.31 ATOM 2141 HG1 PRO 129 -4.269 -45.602 20.234 1.00 38.34 ATOM 2142 HG2 PRO 129 -4.532 -44.614 21.684 1.00 53.20 ATOM 2143 CD PRO 129 -2.480 -44.963 21.207 1.00 14.21 ATOM 2144 HD1 PRO 129 -1.978 -45.604 20.497 1.00 38.34 ATOM 2145 HD2 PRO 129 -2.442 -45.387 22.190 1.00 71.15 ATOM 2146 C PRO 129 -3.416 -41.653 21.553 1.00 64.30 ATOM 2147 O PRO 129 -4.019 -40.651 21.173 1.00 43.30 ATOM 2148 N ASN 130 -3.231 -41.944 22.837 1.00 55.32 ATOM 2149 HN ASN 130 -2.776 -42.770 23.098 1.00 38.34 ATOM 2150 CA ASN 130 -3.740 -41.080 23.896 1.00 33.33 ATOM 2151 HA ASN 130 -4.680 -40.647 23.567 1.00 24.42 ATOM 2152 CB ASN 130 -3.979 -41.890 25.172 1.00 23.23 ATOM 2153 HB1 ASN 130 -3.853 -41.252 26.040 1.00 38.34 ATOM 2154 HB2 ASN 130 -3.261 -42.697 25.231 1.00 25.43 ATOM 2155 CG ASN 130 -5.377 -42.474 25.234 1.00 12.50 ATOM 2156 OD1 ASN 130 -6.334 -41.784 25.588 1.00 71.50 ATOM 2157 ND2 ASN 130 -5.502 -43.750 24.889 1.00 5.20 ATOM 2158 HD21 ASN 130 -4.702 -44.253 24.614 1.00 74.02 ATOM 2159 HD22 ASN 130 -6.398 -44.145 24.923 1.00 24.12 ATOM 2160 C ASN 130 -2.770 -39.938 24.180 1.00 50.41 ATOM 2161 O ASN 130 -3.178 -38.786 24.327 1.00 35.35 ATOM 2162 N GLU 131 -1.484 -40.265 24.254 1.00 63.22 ATOM 2163 HN GLU 131 -1.227 -41.207 24.147 1.00 38.34 ATOM 2164 CA GLU 131 -0.456 -39.266 24.520 1.00 43.23 ATOM 2165 HA GLU 131 -0.780 -38.656 25.355 1.00 5.35 ATOM 2166 CB GLU 131 0.863 -39.945 24.895 1.00 72.51 ATOM 2167 HB1 GLU 131 0.712 -40.513 25.801 1.00 38.34 ATOM 2168 HB2 GLU 131 1.611 -39.183 25.082 1.00 12.43 ATOM 2169 CG GLU 131 1.386 -40.890 23.826 1.00 5.10 ATOM 2170 HG1 GLU 131 1.434 -40.383 22.879 1.00 38.34 ATOM 2171 HG2 GLU 131 0.715 -41.726 23.752 1.00 53.22 ATOM 2172 CD GLU 131 2.771 -41.421 24.144 1.00 52.30 ATOM 2173 OE1 GLU 131 2.925 -42.656 24.241 1.00 44.00 ATOM 2174 OE2 GLU 131 3.700 -40.600 24.296 1.00 51.15 ATOM 2175 C GLU 131 -0.248 -38.363 23.307 1.00 11.22 ATOM 2176 O GLU 131 0.043 -37.174 23.447 1.00 62.15 ATOM 2177 N LEU 132 -0.399 -38.935 22.118 1.00 34.30 ATOM 2178 HN LEU 132 -0.609 -39.897 22.062 1.00 38.34 ATOM 2179 CA LEU 132 -0.228 -38.184 20.880 1.00 53.54 ATOM 2180 HA LEU 132 0.808 -37.906 20.804 1.00 23.04 ATOM 2181 CB LEU 132 -0.611 -39.049 19.678 1.00 44.14 ATOM 2182 HB1 LEU 132 -1.625 -39.396 19.832 1.00 38.34 ATOM 2183 HB2 LEU 132 0.043 -39.912 19.667 1.00 51.35 ATOM 2184 CG LEU 132 -0.538 -38.368 18.310 1.00 32.13 ATOM 2185 HG LEU 132 -1.190 -37.519 18.308 1.00 34.52 ATOM 2186 CD1 LEU 132 0.879 -37.899 18.022 1.00 64.22 ATOM 2187 HD11 LEU 132 1.212 -37.222 18.794 1.00 21.55 ATOM 2188 HD12 LEU 132 0.899 -37.383 17.072 1.00 65.31 ATOM 2189 HD13 LEU 132 1.543 -38.750 17.976 1.00 34.45 ATOM 2190 CD2 LEU 132 -1.023 -39.311 17.219 1.00 64.23 ATOM 2191 HD21 LEU 132 -2.041 -39.611 17.426 1.00 61.01 ATOM 2192 HD22 LEU 132 -0.391 -40.188 17.186 1.00 21.34 ATOM 2193 HD23 LEU 132 -0.988 -38.808 16.262 1.00 51.11 ATOM 2194 C LEU 132 -1.071 -36.912 20.894 1.00 43.03 ATOM 2195 O LEU 132 -0.560 -35.816 20.667 1.00 5.33 ATOM 2196 N GLN 133 -2.363 -37.067 21.163 1.00 21.40 ATOM 2197 HN GLN 133 -2.714 -37.974 21.334 1.00 38.34 ATOM 2198 CA GLN 133 -3.275 -35.931 21.208 1.00 13.12 ATOM 2199 HA GLN 133 -3.322 -35.519 20.213 1.00 13.51 ATOM 2200 CB GLN 133 -4.670 -36.386 21.641 1.00 21.43 ATOM 2201 HB1 GLN 133 -4.664 -36.603 22.702 1.00 38.34 ATOM 2202 HB2 GLN 133 -4.922 -37.294 21.107 1.00 51.04 ATOM 2203 CG GLN 133 -5.757 -35.358 21.372 1.00 23.12 ATOM 2204 HG1 GLN 133 -5.473 -34.417 21.823 1.00 38.34 ATOM 2205 HG2 GLN 133 -6.676 -35.705 21.822 1.00 65.53 ATOM 2206 CD GLN 133 -6.002 -35.142 19.892 1.00 72.21 ATOM 2207 OE1 GLN 133 -6.852 -35.799 19.290 1.00 50.25 ATOM 2208 NE2 GLN 133 -5.257 -34.218 19.297 1.00 55.13 ATOM 2209 HE21 GLN 133 -4.592 -33.723 19.828 1.00 11.44 ATOM 2210 HE22 GLN 133 -5.401 -34.064 18.340 1.00 25.25 ATOM 2211 C GLN 133 -2.760 -34.857 22.160 1.00 0.51 ATOM 2212 O GLN 133 -2.703 -33.678 21.809 1.00 33.35 ATOM 2213 N ALA 134 -2.386 -35.271 23.366 1.00 63.41 ATOM 2214 HN ALA 134 -2.458 -36.230 23.591 1.00 38.34 ATOM 2215 CA ALA 134 -1.874 -34.345 24.368 1.00 44.23 ATOM 2216 HA ALA 134 -2.629 -33.591 24.550 1.00 1.33 ATOM 2217 CB ALA 134 -1.615 -35.074 25.678 1.00 51.11 ATOM 2218 HB1 ALA 134 -1.291 -34.368 26.430 1.00 12.53 ATOM 2219 HB2 ALA 134 -0.850 -35.824 25.533 1.00 42.53 ATOM 2220 HB3 ALA 134 -2.526 -35.553 26.007 1.00 23.40 ATOM 2221 C ALA 134 -0.601 -33.659 23.882 1.00 71.12 ATOM 2222 O ALA 134 -0.357 -32.493 24.189 1.00 55.44 ATOM 2223 N ALA 135 0.207 -34.392 23.123 1.00 43.33 ATOM 2224 HN ALA 135 -0.028 -35.328 22.921 1.00 38.34 ATOM 2225 CA ALA 135 1.454 -33.853 22.594 1.00 61.25 ATOM 2226 HA ALA 135 2.044 -33.483 23.423 1.00 72.23 ATOM 2227 CB ALA 135 2.253 -34.950 21.906 1.00 71.35 ATOM 2228 HB1 ALA 135 3.203 -34.556 21.578 1.00 1.12 ATOM 2229 HB2 ALA 135 1.710 -35.320 21.053 1.00 3.12 ATOM 2230 HB3 ALA 135 2.423 -35.759 22.601 1.00 14.31 ATOM 2231 C ALA 135 1.189 -32.704 21.627 1.00 3.31 ATOM 2232 O ALA 135 1.771 -31.626 21.756 1.00 15.20 ATOM 2233 N ILE 136 0.310 -32.941 20.660 1.00 52.12 ATOM 2234 HN ILE 136 -0.125 -33.826 20.608 1.00 38.34 ATOM 2235 CA ILE 136 -0.031 -31.925 19.672 1.00 14.42 ATOM 2236 HA ILE 136 0.882 -31.607 19.182 1.00 13.10 ATOM 2237 CB ILE 136 -0.988 -32.480 18.600 1.00 10.25 ATOM 2238 HB ILE 136 -1.874 -32.842 19.102 1.00 3.31 ATOM 2239 CG1 ILE 136 -0.318 -33.618 17.828 1.00 33.33 ATOM 2240 HG11 ILE 136 0.690 -33.775 18.192 1.00 38.34 ATOM 2241 HG12 ILE 136 -0.269 -33.383 16.777 1.00 25.32 ATOM 2242 CG2 ILE 136 -1.421 -31.372 17.652 1.00 41.11 ATOM 2243 HG21 ILE 136 -2.203 -30.789 18.116 1.00 4.32 ATOM 2244 HG22 ILE 136 -1.801 -31.794 16.730 1.00 42.41 ATOM 2245 HG23 ILE 136 -0.583 -30.728 17.432 1.00 62.12 ATOM 2246 CD1 ILE 136 -1.049 -34.938 17.943 1.00 50.24 ATOM 2247 HD11 ILE 136 -1.817 -34.896 18.704 1.00 2.12 ATOM 2248 HD12 ILE 136 -0.339 -35.682 18.209 1.00 1.52 ATOM 2249 HD13 ILE 136 -1.495 -35.190 16.995 1.00 15.01 ATOM 2250 C ILE 136 -0.676 -30.711 20.333 1.00 44.52 ATOM 2251 O ILE 136 -0.257 -29.574 20.110 1.00 22.50 ATOM 2252 N ASP 137 -1.695 -30.959 21.148 1.00 40.24 ATOM 2253 HN ASP 137 -1.988 -31.892 21.283 1.00 38.34 ATOM 2254 CA ASP 137 -2.396 -29.886 21.844 1.00 60.30 ATOM 2255 HA ASP 137 -2.878 -29.265 21.102 1.00 2.24 ATOM 2256 CB ASP 137 -3.464 -30.465 22.773 1.00 21.33 ATOM 2257 HB1 ASP 137 -3.005 -31.188 23.432 1.00 38.34 ATOM 2258 HB2 ASP 137 -4.221 -30.955 22.179 1.00 13.13 ATOM 2259 CG ASP 137 -4.134 -29.401 23.619 1.00 10.44 ATOM 2260 OD1 ASP 137 -5.159 -28.846 23.172 1.00 52.13 ATOM 2261 OD2 ASP 137 -3.633 -29.121 24.729 1.00 61.41 ATOM 2262 C ASP 137 -1.420 -29.028 22.643 1.00 61.13 ATOM 2263 O ASP 137 -1.463 -27.800 22.580 1.00 40.52 ATOM 2264 N SER 138 -0.541 -29.684 23.394 1.00 14.14 ATOM 2265 HN SER 138 -0.558 -30.671 23.409 1.00 38.34 ATOM 2266 CA SER 138 0.442 -28.981 24.210 1.00 43.04 ATOM 2267 HA SER 138 -0.090 -28.423 24.967 1.00 21.31 ATOM 2268 CB SER 138 1.376 -29.981 24.895 1.00 51.31 ATOM 2269 HB1 SER 138 2.331 -29.515 25.110 1.00 38.34 ATOM 2270 HB2 SER 138 1.536 -30.832 24.248 1.00 31.20 ATOM 2271 OG SER 138 0.823 -30.440 26.116 1.00 5.13 ATOM 2272 HG SER 138 0.971 -29.786 26.805 1.00 31.13 ATOM 2273 C SER 138 1.255 -28.008 23.361 1.00 1.33 ATOM 2274 O SER 138 1.702 -26.969 23.846 1.00 62.12 ATOM 2275 N ASN 139 1.442 -28.353 22.092 1.00 40.25 ATOM 2276 HN ASN 139 1.098 -29.210 21.762 1.00 38.34 ATOM 2277 CA ASN 139 2.202 -27.511 21.174 1.00 15.34 ATOM 2278 HA ASN 139 3.035 -27.075 21.717 1.00 51.41 ATOM 2279 CB ASN 139 2.741 -28.345 20.011 1.00 72.11 ATOM 2280 HB1 ASN 139 2.824 -27.731 19.122 1.00 38.34 ATOM 2281 HB2 ASN 139 2.073 -29.164 19.806 1.00 62.32 ATOM 2282 CG ASN 139 4.114 -28.921 20.300 1.00 53.22 ATOM 2283 OD1 ASN 139 5.116 -28.474 19.742 1.00 62.52 ATOM 2284 ND2 ASN 139 4.165 -29.918 21.176 1.00 53.24 ATOM 2285 HD21 ASN 139 3.331 -30.234 21.591 1.00 54.13 ATOM 2286 HD22 ASN 139 5.043 -30.304 21.376 1.00 34.24 ATOM 2287 C ASN 139 1.338 -26.371 20.641 1.00 64.42 ATOM 2288 O ASN 139 1.788 -25.229 20.550 1.00 52.13 ATOM 2289 N ARG 140 0.097 -26.691 20.290 1.00 20.10 ATOM 2290 HN ARG 140 -0.210 -27.620 20.407 1.00 38.34 ATOM 2291 CA ARG 140 -0.829 -25.695 19.765 1.00 50.00 ATOM 2292 HA ARG 140 -0.351 -25.190 18.935 1.00 71.21 ATOM 2293 CB ARG 140 -2.104 -26.371 19.258 1.00 55.51 ATOM 2294 HB1 ARG 140 -2.675 -25.642 18.699 1.00 38.34 ATOM 2295 HB2 ARG 140 -2.693 -26.698 20.108 1.00 61.20 ATOM 2296 CG ARG 140 -1.844 -27.585 18.382 1.00 24.24 ATOM 2297 HG1 ARG 140 -2.083 -28.474 18.945 1.00 38.34 ATOM 2298 HG2 ARG 140 -0.805 -27.616 18.081 1.00 35.14 ATOM 2299 CD ARG 140 -2.704 -27.564 17.129 1.00 51.42 ATOM 2300 HD1 ARG 140 -2.481 -28.459 16.566 1.00 38.34 ATOM 2301 HD2 ARG 140 -2.447 -26.694 16.541 1.00 51.20 ATOM 2302 NE ARG 140 -4.130 -27.525 17.444 1.00 24.51 ATOM 2303 HE ARG 140 -4.403 -27.215 18.337 1.00 22.13 ATOM 2304 CZ ARG 140 -5.081 -27.883 16.589 1.00 52.32 ATOM 2305 NH1 ARG 140 -4.761 -28.303 15.373 1.00 44.11 ATOM 2306 HH11 ARG 140 -3.814 -28.358 15.070 1.00 54.23 ATOM 2307 HH12 ARG 140 -5.488 -28.574 14.738 1.00 11.52 ATOM 2308 NH2 ARG 140 -6.357 -27.820 16.950 1.00 64.54 ATOM 2309 HH21 ARG 140 -6.606 -27.503 17.867 1.00 31.45 ATOM 2310 HH22 ARG 140 -7.077 -28.089 16.307 1.00 21.34 ATOM 2311 C ARG 140 -1.178 -24.661 20.832 1.00 62.23 ATOM 2312 O ARG 140 -1.482 -23.510 20.519 1.00 74.24 ATOM 2313 N ARG 141 -1.131 -25.080 22.092 1.00 33.31 ATOM 2314 HN ARG 141 -0.891 -26.015 22.289 1.00 38.34 ATOM 2315 CA ARG 141 -1.444 -24.192 23.205 1.00 40.43 ATOM 2316 HA ARG 141 -2.372 -23.680 22.983 1.00 70.12 ATOM 2317 CB ARG 141 -1.627 -24.997 24.492 1.00 14.24 ATOM 2318 HB1 ARG 141 -0.727 -25.570 24.671 1.00 38.34 ATOM 2319 HB2 ARG 141 -2.456 -25.678 24.359 1.00 74.21 ATOM 2320 CG ARG 141 -1.905 -24.137 25.714 1.00 1.44 ATOM 2321 HG1 ARG 141 -2.849 -23.629 25.574 1.00 38.34 ATOM 2322 HG2 ARG 141 -1.118 -23.407 25.830 1.00 42.13 ATOM 2323 CD ARG 141 -1.963 -24.973 26.983 1.00 23.10 ATOM 2324 HD1 ARG 141 -1.188 -24.636 27.658 1.00 38.34 ATOM 2325 HD2 ARG 141 -1.789 -26.016 26.745 1.00 5.43 ATOM 2326 NE ARG 141 -3.257 -24.866 27.650 1.00 34.54 ATOM 2327 HE ARG 141 -3.845 -25.653 27.621 1.00 30.25 ATOM 2328 CZ ARG 141 -3.670 -23.774 28.284 1.00 62.20 ATOM 2329 NH1 ARG 141 -2.893 -22.701 28.336 1.00 54.33 ATOM 2330 HH11 ARG 141 -1.992 -22.682 27.914 1.00 14.43 ATOM 2331 HH12 ARG 141 -3.218 -21.882 28.813 1.00 21.14 ATOM 2332 NH2 ARG 141 -4.862 -23.754 28.867 1.00 24.21 ATOM 2333 HH21 ARG 141 -5.454 -24.562 28.831 1.00 23.51 ATOM 2334 HH22 ARG 141 -5.175 -22.931 29.346 1.00 60.02 ATOM 2335 C ARG 141 -0.344 -23.151 23.395 1.00 31.11 ATOM 2336 O ARG 141 -0.620 -21.995 23.712 1.00 5.43 ATOM 2337 N GLU 142 0.902 -23.572 23.200 1.00 53.24 ATOM 2338 HN GLU 142 1.066 -24.513 22.955 1.00 38.34 ATOM 2339 CA GLU 142 2.042 -22.676 23.351 1.00 23.24 ATOM 2340 HA GLU 142 1.922 -22.139 24.288 1.00 41.41 ATOM 2341 CB GLU 142 3.345 -23.477 23.399 1.00 62.11 ATOM 2342 HB1 GLU 142 4.149 -22.876 22.985 1.00 38.34 ATOM 2343 HB2 GLU 142 3.239 -24.370 22.798 1.00 32.12 ATOM 2344 CG GLU 142 3.751 -23.897 24.802 1.00 51.23 ATOM 2345 HG1 GLU 142 3.104 -24.700 25.124 1.00 38.34 ATOM 2346 HG2 GLU 142 3.639 -23.054 25.471 1.00 30.12 ATOM 2347 CD GLU 142 5.188 -24.375 24.875 1.00 60.11 ATOM 2348 OE1 GLU 142 5.648 -25.019 23.909 1.00 61.13 ATOM 2349 OE2 GLU 142 5.852 -24.106 25.897 1.00 22.14 ATOM 2350 C GLU 142 2.096 -21.665 22.210 1.00 14.30 ATOM 2351 O GLU 142 1.968 -22.025 21.041 1.00 51.34 ATOM 2352 N GLY 143 2.285 -20.396 22.560 1.00 53.24 ATOM 2353 HN GLY 143 2.394 -20.160 23.511 1.00 38.34 ATOM 2354 CA GLY 143 2.351 -19.351 21.554 1.00 32.33 ATOM 2355 HA1 GLY 143 1.867 -19.681 20.641 1.00 38.34 ATOM 2356 HA2 GLY 143 3.390 -19.151 21.334 1.00 43.00 ATOM 2357 C GLY 143 1.677 -18.070 22.004 1.00 30.22 ATOM 2358 O GLY 143 0.454 -18.018 22.137 1.00 41.53 ATOM 2359 N ARG 144 2.476 -17.035 22.241 1.00 11.12 ATOM 2360 HN ARG 144 3.451 -17.135 22.131 1.00 38.34 ATOM 2361 CA ARG 144 1.950 -15.749 22.682 1.00 55.21 ATOM 2362 HA ARG 144 0.887 -15.715 22.469 1.00 13.11 ATOM 2363 CB ARG 144 2.173 -15.570 24.185 1.00 42.14 ATOM 2364 HB1 ARG 144 2.340 -14.522 24.412 1.00 38.34 ATOM 2365 HB2 ARG 144 3.054 -16.125 24.478 1.00 13.31 ATOM 2366 CG ARG 144 1.012 -16.058 25.036 1.00 63.04 ATOM 2367 HG1 ARG 144 1.343 -16.121 26.060 1.00 38.34 ATOM 2368 HG2 ARG 144 0.710 -17.040 24.696 1.00 10.32 ATOM 2369 CD ARG 144 -0.175 -15.111 24.954 1.00 60.41 ATOM 2370 HD1 ARG 144 -0.225 -14.672 23.966 1.00 38.34 ATOM 2371 HD2 ARG 144 -0.042 -14.320 25.678 1.00 33.51 ATOM 2372 NE ARG 144 -1.439 -15.796 25.211 1.00 53.42 ATOM 2373 HE ARG 144 -2.030 -15.954 24.442 1.00 72.44 ATOM 2374 CZ ARG 144 -1.820 -16.208 26.415 1.00 55.23 ATOM 2375 NH1 ARG 144 -1.039 -16.006 27.466 1.00 1.55 ATOM 2376 HH11 ARG 144 -0.164 -15.543 27.391 1.00 63.12 ATOM 2377 HH12 ARG 144 -1.336 -16.329 28.367 1.00 2.22 ATOM 2378 NH2 ARG 144 -2.986 -16.823 26.568 1.00 21.35 ATOM 2379 HH21 ARG 144 -3.581 -16.978 25.777 1.00 62.31 ATOM 2380 HH22 ARG 144 -3.276 -17.135 27.475 1.00 63.24 ATOM 2381 C ARG 144 2.607 -14.602 21.919 1.00 75.21 ATOM 2382 O ARG 144 3.732 -14.729 21.437 1.00 41.04 ATOM 2383 N ARG 145 1.896 -13.484 21.814 1.00 74.34 ATOM 2384 HN ARG 145 1.000 -13.443 22.227 1.00 38.34 ATOM 2385 HA ARG 145 2.678 -12.625 20.106 1.00 20.30 ATOM 2386 CB ARG 145 1.338 -11.226 21.036 1.00 33.21 ATOM 2387 HB1 ARG 145 1.809 -10.249 20.986 1.00 38.34 ATOM 2388 HB2 ARG 145 0.735 -11.267 21.933 1.00 34.44 ATOM 2389 CG ARG 145 0.408 -11.364 19.842 1.00 52.23 ATOM 2390 HG1 ARG 145 -0.458 -10.738 20.002 1.00 38.34 ATOM 2391 HG2 ARG 145 0.092 -12.394 19.750 1.00 3.10 ATOM 2392 CD ARG 145 1.092 -10.940 18.551 1.00 31.34 ATOM 2393 HD1 ARG 145 0.541 -11.359 17.721 1.00 38.34 ATOM 2394 HD2 ARG 145 2.098 -11.335 18.541 1.00 4.00 ATOM 2395 NE ARG 145 1.129 -9.488 18.403 1.00 41.12 ATOM 2396 HE ARG 145 0.488 -8.955 18.929 1.00 71.23 ATOM 2397 CZ ARG 145 1.972 -8.853 17.596 1.00 5.05 ATOM 2398 NH1 ARG 145 2.844 -9.539 16.870 1.00 75.23 ATOM 2399 HH11 ARG 145 2.889 -10.533 16.905 1.00 74.12 ATOM 2400 HH12 ARG 145 3.477 -9.048 16.268 1.00 12.24 ATOM 2401 NH2 ARG 145 1.945 -7.529 17.516 1.00 43.23 ATOM 2402 HH21 ARG 145 1.290 -7.005 18.063 1.00 71.11 ATOM 2403 HH22 ARG 145 2.580 -7.048 16.908 1.00 64.01 ATOM 2404 CA ARG 145 2.409 -12.316 21.108 1.00 73.20 ATOM 2405 C ARG 145 3.658 -11.772 21.794 1.00 23.11 ATOM 2406 OT1 ARG 145 4.702 -11.656 21.117 1.00 38.34 ATOM 2407 OT2 ARG 145 3.589 -11.475 23.008 1.00 38.34 ATOM 2408 OH2 TIP3 1 -1.817 -52.968 -6.750 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.866 -53.923 -6.787 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.643 -52.700 -6.348 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -2.272 -55.927 -6.807 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -3.124 -55.689 -7.174 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -1.682 -55.944 -7.560 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -6.092 -51.342 -7.963 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.694 -51.897 -8.458 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.811 -50.675 -8.589 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.934 -53.118 -5.419 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -8.285 -53.974 -5.176 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -7.208 -52.975 -4.812 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -9.402 -57.927 -4.742 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -8.449 -57.843 -4.770 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -9.562 -58.638 -4.123 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.106 -50.438 -11.767 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.128 -50.253 -10.828 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.416 -49.869 -12.108 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -2.543 -50.871 -8.845 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -3.030 -51.606 -9.216 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -1.994 -51.264 -8.167 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -4.092 -55.081 -4.207 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -4.958 -55.186 -3.813 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -3.716 -54.322 -3.760 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -10.718 -51.045 -6.434 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -10.533 -51.379 -5.556 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -9.871 -50.736 -6.756 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -8.373 -49.760 -7.190 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -7.696 -50.392 -7.430 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -8.051 -49.358 -6.382 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -4.170 -51.817 -6.037 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -4.952 -52.003 -6.557 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -4.242 -50.888 -5.820 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -8.620 -57.931 2.849 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -8.531 -56.987 2.717 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.259 -58.206 2.191 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -9.687 -58.676 6.268 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -9.725 -59.322 6.973 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -10.010 -59.142 5.497 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -11.298 -56.243 6.674 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -10.994 -56.929 6.080 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -10.576 -56.125 7.292 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -7.280 -63.617 2.675 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -6.634 -63.946 3.300 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -6.770 -63.099 2.052 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -13.623 -57.154 8.636 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -14.363 -56.556 8.739 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -12.909 -56.600 8.320 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -4.372 -55.649 10.529 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -4.232 -56.240 9.790 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -4.204 -54.776 10.173 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -9.899 -58.687 0.301 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -10.611 -58.152 -0.050 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -9.208 -58.631 -0.359 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -9.845 -60.229 -2.660 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -9.144 -60.207 -2.009 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -9.543 -60.857 -3.316 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -2.530 -59.309 8.595 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -3.182 -58.614 8.684 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -2.065 -59.099 7.785 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -13.481 -54.419 5.817 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -13.576 -54.997 5.060 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -12.752 -54.790 6.313 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -7.622 -59.315 -1.062 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -7.043 -59.165 -0.315 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -7.208 -58.844 -1.785 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -10.838 -53.394 10.982 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.751 -52.568 11.457 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -11.702 -53.724 11.231 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -6.145 -58.282 -3.432 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -6.103 -58.505 -4.362 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -5.296 -57.884 -3.242 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -9.273 -61.018 1.403 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -9.682 -60.203 1.111 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -8.553 -61.158 0.788 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -8.269 -61.572 4.217 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -8.464 -60.967 3.502 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -8.087 -62.406 3.782 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -11.737 -56.618 -0.342 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -12.481 -57.125 -0.665 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -11.871 -56.569 0.604 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -4.587 -57.485 8.444 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -3.945 -57.028 7.901 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -5.417 -57.372 7.982 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -10.217 -56.434 10.895 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -10.563 -56.815 11.701 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -10.417 -55.500 10.966 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -7.121 -61.937 -0.482 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -6.229 -62.074 -0.163 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -7.064 -61.146 -1.019 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -9.611 -55.159 -1.317 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -9.906 -54.333 -0.935 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -10.314 -55.779 -1.121 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -7.967 -53.972 10.845 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -8.868 -53.789 10.577 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -7.933 -53.713 11.766 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -2.236 -61.727 -0.788 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -2.790 -62.123 -1.460 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -2.135 -60.817 -1.065 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -6.780 -58.133 6.699 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -7.708 -58.365 6.672 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -6.329 -58.910 6.369 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -14.237 -53.805 2.832 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -13.710 -53.032 2.631 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -15.117 -53.580 2.530 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -12.810 -56.142 2.408 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -13.051 -55.217 2.450 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -13.550 -56.601 2.804 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -12.295 -51.993 8.723 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -11.932 -51.138 8.490 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -11.763 -52.285 9.464 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -14.126 -51.120 1.953 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -15.076 -51.015 2.005 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -13.775 -50.300 2.298 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -8.751 -55.894 8.424 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -9.177 -56.121 9.250 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -8.170 -56.632 8.241 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -6.548 -54.965 -2.502 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -6.195 -55.345 -1.698 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -7.497 -55.058 -2.416 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -12.457 -53.853 -4.055 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -12.218 -54.601 -4.603 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -12.726 -54.241 -3.223 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -10.782 -52.585 -0.850 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -11.599 -52.088 -0.797 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -10.253 -52.110 -1.490 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -13.444 -51.542 -0.868 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -13.283 -50.742 -1.369 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -13.641 -51.235 0.017 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -5.909 -60.344 5.238 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -6.706 -60.759 4.909 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -5.464 -61.035 5.729 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -10.419 -51.990 -3.917 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -11.063 -52.621 -3.595 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -9.657 -52.521 -4.149 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -7.934 -53.118 13.437 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -8.285 -53.974 13.680 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -7.208 -52.975 14.044 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -9.508 -55.216 -4.090 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -9.776 -55.036 -3.189 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -9.714 -56.142 -4.221 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -6.811 -56.721 10.858 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -6.066 -56.133 10.738 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -7.568 -56.139 10.921 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -3.250 -57.693 -3.812 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -3.523 -58.118 -4.625 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.210 -56.762 -4.029 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -6.356 -58.630 12.757 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -6.637 -57.921 12.179 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -5.413 -58.703 12.606 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -12.742 -49.357 -2.256 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -11.809 -49.199 -2.112 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -13.006 -48.682 -2.881 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -2.129 -58.870 -1.622 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -2.650 -58.513 -2.341 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -2.162 -58.195 -0.944 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -3.780 -61.630 -3.071 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -3.683 -60.963 -3.751 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -3.920 -62.446 -3.553 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -4.610 -60.250 2.550 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -4.760 -61.195 2.530 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -4.964 -59.969 3.394 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -3.754 -58.280 12.189 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -3.171 -59.014 12.380 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.190 -57.508 12.235 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -2.257 -60.377 12.873 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -3.120 -60.756 12.708 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -1.653 -61.116 12.799 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -4.900 -62.667 1.012 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -4.620 -63.574 1.137 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.141 -62.233 0.623 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -4.288 -62.086 6.448 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -3.355 -61.874 6.414 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.523 -61.984 7.371 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -15.029 -52.444 9.463 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -15.454 -51.635 9.180 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -14.124 -52.359 9.161 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -10.718 -51.045 12.422 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -10.533 -51.379 13.300 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -9.871 -50.736 12.100 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -15.160 -49.588 8.540 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -16.025 -49.516 8.944 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -15.215 -49.041 7.756 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -16.071 -51.855 5.076 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -16.290 -52.771 5.245 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -15.247 -51.715 5.542 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -13.534 -51.385 5.924 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -13.321 -52.273 5.637 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -13.469 -51.419 6.879 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -8.870 -50.632 23.638 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -8.250 -51.309 23.365 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -9.078 -50.850 24.546 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -6.058 -54.215 20.908 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -6.315 -54.905 20.296 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -5.987 -54.658 21.753 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -7.322 -50.468 16.647 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -6.947 -51.212 16.176 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -7.318 -50.738 17.565 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -7.653 -50.542 19.396 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -8.588 -50.442 19.575 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -7.373 -51.251 19.974 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -6.145 -58.282 15.424 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -6.103 -58.505 14.494 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -5.296 -57.884 15.614 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -3.940 -52.941 18.533 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -4.313 -53.767 18.843 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -3.663 -53.124 17.636 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -6.548 -54.965 16.354 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -6.195 -55.345 17.158 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -7.497 -55.058 16.440 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -5.682 -56.292 18.580 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -5.959 -57.020 19.136 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -4.755 -56.173 18.786 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -4.822 -51.088 25.716 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -4.978 -50.410 25.059 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -3.890 -51.016 25.919 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -10.419 -51.990 14.939 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -11.063 -52.621 15.261 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -9.657 -52.521 14.707 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -9.508 -55.216 14.766 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -9.776 -55.036 15.667 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -9.714 -56.142 14.635 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -3.250 -57.693 15.044 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -3.523 -58.118 14.231 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -3.210 -56.762 14.827 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -2.106 -50.438 25.945 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -2.128 -50.253 26.884 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -1.416 -49.869 25.604 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -2.543 -50.871 28.867 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -3.030 -51.606 28.496 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -1.994 -51.264 29.545 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -2.791 -56.824 19.019 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -1.941 -56.403 19.147 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -2.786 -57.564 19.627 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -2.397 -58.771 20.843 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -3.123 -59.250 21.241 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -1.816 -58.565 21.575 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -2.129 -58.870 17.234 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -2.650 -58.513 16.515 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -2.162 -58.195 17.912 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -5.368 -50.348 21.517 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -4.715 -50.695 20.909 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -4.857 -49.859 22.163 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -10.449 -49.700 26.572 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -10.906 -49.171 25.918 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -10.286 -49.097 27.297 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -8.122 -50.822 27.517 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -9.026 -50.657 27.251 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -7.693 -49.969 27.451 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -5.517 -49.252 27.812 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -5.699 -48.336 27.601 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -5.341 -49.662 26.965 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -10.097 -50.131 16.845 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -9.231 -49.765 16.667 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -10.344 -50.571 16.032 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.388 -50.568 19.525 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -3.582 -51.316 18.960 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -3.427 -49.810 18.941 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -4.372 -36.793 -27.183 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -4.232 -37.384 -27.922 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -4.204 -35.920 -27.539 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -1.817 -34.112 -25.606 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -1.866 -35.067 -25.643 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -2.643 -33.844 -25.204 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.665 -42.619 -25.126 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -5.072 -42.138 -25.846 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.624 -43.524 -25.433 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -4.535 -30.244 -24.499 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -4.335 -29.820 -25.334 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -3.879 -29.901 -23.892 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.967 -35.116 -26.867 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -8.868 -34.933 -27.135 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -7.933 -34.857 -25.946 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -2.272 -37.071 -25.663 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -3.124 -36.833 -26.030 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -1.682 -37.088 -26.416 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -6.092 -32.486 -26.819 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -6.694 -33.041 -27.314 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -5.811 -31.819 -27.445 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -7.934 -34.262 -24.275 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -8.285 -35.118 -24.032 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -7.208 -34.119 -23.668 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -6.811 -37.865 -26.854 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -6.066 -37.277 -26.974 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -7.568 -37.283 -26.791 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -9.402 -39.071 -23.598 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -8.449 -38.987 -23.626 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -9.562 -39.782 -22.979 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -7.672 -42.563 -23.033 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -7.480 -43.494 -23.144 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -6.815 -42.138 -23.043 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.356 -39.774 -24.955 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.637 -39.065 -25.533 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -5.413 -39.847 -25.106 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -3.754 -39.424 -25.523 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -3.171 -40.158 -25.332 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -3.190 -38.652 -25.477 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -2.257 -41.521 -24.839 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -3.120 -41.900 -25.004 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -1.653 -42.260 -24.913 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -4.170 -32.961 -24.893 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -4.952 -33.147 -25.413 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -4.242 -32.032 -24.676 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -8.620 -39.075 -16.007 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -8.531 -38.131 -16.139 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -9.259 -39.350 -16.665 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -9.687 -39.820 -12.588 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -9.725 -40.466 -11.883 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -10.010 -40.286 -13.359 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -8.870 -31.776 -14.074 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -8.250 -32.453 -14.347 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -9.078 -31.994 -13.166 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -2.635 -45.786 -11.321 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -2.586 -45.176 -10.585 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -2.209 -45.325 -12.044 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -8.157 -42.993 -11.854 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -8.014 -43.940 -11.834 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -8.263 -42.786 -12.783 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.280 -44.761 -16.181 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -6.634 -45.090 -15.556 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -6.770 -44.243 -16.804 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -2.243 -44.308 -9.085 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -2.932 -43.650 -9.180 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -2.228 -44.505 -8.148 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -8.823 -36.474 -16.964 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -9.119 -36.796 -17.815 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -9.147 -35.574 -16.922 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -5.516 -45.470 -14.200 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -5.731 -46.236 -13.668 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -4.860 -44.998 -13.687 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -5.469 -35.041 -11.938 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -6.411 -34.983 -11.777 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -5.193 -34.135 -12.075 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -7.217 -33.260 -15.313 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -6.792 -33.967 -15.798 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -6.900 -32.459 -15.730 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -9.899 -39.831 -18.555 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -10.611 -39.296 -18.906 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -9.208 -39.775 -19.215 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -2.530 -40.453 -10.261 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -3.182 -39.758 -10.172 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -2.065 -40.243 -11.071 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.596 -41.447 -8.535 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -6.516 -40.684 -7.963 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -7.197 -41.168 -9.226 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -8.172 -34.719 -11.353 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -8.413 -34.057 -10.705 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -8.370 -35.553 -10.928 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -13.601 -35.823 -7.370 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -13.913 -35.041 -6.914 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -14.251 -35.976 -8.056 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -7.622 -40.459 -19.918 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -7.043 -40.309 -19.171 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -7.208 -39.988 -20.641 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -9.896 -33.722 -16.483 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -9.422 -33.427 -15.705 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -10.459 -32.984 -16.716 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -10.838 -34.538 -7.874 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -10.751 -33.712 -7.399 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -11.702 -34.868 -7.625 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -10.424 -30.766 -18.068 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -10.499 -30.887 -19.014 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -10.391 -29.816 -17.949 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -7.322 -31.612 -21.065 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -6.947 -32.356 -21.536 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -7.318 -31.882 -20.147 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -7.653 -31.686 -18.316 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -8.588 -31.586 -18.137 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -7.373 -32.395 -17.738 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -10.234 -48.043 -8.903 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -9.814 -48.458 -8.150 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -11.167 -48.221 -8.786 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -6.908 -44.287 -8.049 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -7.422 -44.413 -7.252 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -7.063 -43.375 -8.294 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -6.145 -39.426 -22.288 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -6.103 -39.649 -23.218 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -5.296 -39.028 -22.098 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -9.273 -42.162 -17.453 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -9.682 -41.347 -17.745 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -8.553 -42.302 -18.068 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -8.269 -42.716 -14.639 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -8.464 -42.111 -15.354 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -8.087 -43.550 -15.074 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -9.005 -41.078 -9.968 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -8.681 -41.709 -10.611 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -9.445 -41.613 -9.307 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -11.737 -37.762 -19.198 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -12.481 -38.269 -19.521 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -11.871 -37.713 -18.252 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -4.587 -38.629 -10.412 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -3.945 -38.172 -10.955 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -5.417 -38.516 -10.874 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -10.217 -37.578 -7.961 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -10.563 -37.959 -7.155 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -10.417 -36.644 -7.890 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.121 -43.081 -19.338 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -6.229 -43.218 -19.019 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -7.064 -42.290 -19.875 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -9.611 -36.303 -20.173 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -9.906 -35.477 -19.791 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -10.314 -36.923 -19.977 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -12.587 -40.489 -5.901 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -12.883 -40.655 -6.796 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -11.656 -40.709 -5.911 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -2.236 -42.871 -19.644 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -2.790 -43.267 -20.316 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -2.135 -41.961 -19.921 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -6.780 -39.277 -12.157 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -7.708 -39.509 -12.184 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -6.329 -40.054 -12.487 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -12.295 -33.137 -10.133 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -11.932 -32.282 -10.366 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -11.763 -33.429 -9.392 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -8.751 -37.038 -10.432 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -9.177 -37.265 -9.606 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -8.170 -37.776 -10.615 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -9.235 -45.512 -9.666 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -8.537 -45.438 -9.016 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.616 -46.376 -9.511 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -10.782 -33.729 -19.706 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -11.599 -33.232 -19.653 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -10.253 -33.254 -20.346 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -10.715 -43.146 -8.549 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -10.596 -42.572 -7.792 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -10.060 -43.834 -8.434 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -4.511 -45.239 -7.714 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -5.427 -44.976 -7.802 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -4.175 -45.242 -8.611 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -5.909 -41.488 -13.618 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -6.706 -41.903 -13.947 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -5.464 -42.179 -13.127 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -4.822 -32.232 -11.996 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -4.978 -31.554 -12.653 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -3.890 -32.160 -11.793 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -10.419 -33.134 -22.773 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -11.063 -33.765 -22.451 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -9.657 -33.665 -23.005 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -12.546 -37.781 -5.381 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -12.874 -37.510 -6.239 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -12.394 -38.722 -5.469 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -9.508 -36.360 -22.946 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -9.776 -36.180 -22.045 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -9.714 -37.286 -23.077 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -6.811 -37.865 -7.998 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -6.066 -37.277 -8.118 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -7.568 -37.283 -7.935 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -12.088 -40.378 -9.205 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -11.337 -40.534 -9.778 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -12.427 -39.526 -9.481 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -11.600 -44.039 -5.450 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -11.836 -44.259 -4.548 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -12.383 -44.246 -5.959 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -8.884 -44.912 -6.374 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -9.832 -44.880 -6.242 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -8.572 -45.537 -5.720 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -12.642 -49.067 -6.342 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -11.930 -49.707 -6.356 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -12.743 -48.800 -7.256 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -12.289 -47.384 -4.288 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -12.420 -47.860 -5.109 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -12.888 -46.640 -4.344 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -2.106 -31.582 -11.767 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -2.128 -31.397 -10.828 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -1.416 -31.013 -12.108 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -3.780 -42.774 -21.927 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -3.683 -42.107 -22.607 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -3.920 -43.590 -22.409 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -4.900 -43.811 -17.844 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -4.620 -44.718 -17.719 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -4.141 -43.377 -18.233 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -4.288 -43.230 -12.408 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -3.355 -43.018 -12.442 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -4.523 -43.128 -11.485 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -4.259 -42.493 -9.632 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -5.102 -42.225 -9.266 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -3.816 -41.671 -9.843 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -4.286 -46.548 -17.795 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -4.104 -46.997 -16.970 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -4.886 -47.133 -18.259 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -2.456 -46.404 -5.929 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -3.373 -46.133 -5.965 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -2.333 -46.939 -6.713 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -2.420 -46.481 -21.267 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -2.007 -47.202 -21.743 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -1.738 -45.811 -21.209 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -5.368 -31.492 -16.195 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -4.715 -31.839 -16.803 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -4.857 -31.003 -15.549 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -10.718 -32.189 -6.434 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -10.533 -32.523 -5.556 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -9.871 -31.880 -6.756 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -3.455 -48.314 -8.110 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -4.268 -47.989 -8.498 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -3.222 -49.074 -8.643 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -10.449 -30.844 -11.140 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -10.906 -30.315 -11.794 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -10.286 -30.241 -10.415 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -8.122 -31.966 -10.195 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -9.026 -31.801 -10.461 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -7.693 -31.113 -10.261 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -5.517 -30.396 -9.900 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -5.699 -29.480 -10.111 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -5.341 -30.806 -10.747 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -3.156 -47.619 -15.341 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -2.544 -48.133 -15.868 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -2.773 -46.741 -15.318 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -10.097 -31.275 -20.867 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -9.231 -30.909 -21.045 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -10.344 -31.715 -21.680 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -8.620 -39.075 2.849 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -8.531 -38.131 2.717 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -9.259 -39.350 2.191 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -9.687 -39.820 6.268 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -9.725 -40.466 6.973 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -10.010 -40.286 5.497 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -8.870 -31.776 4.782 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.250 -32.453 4.509 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -9.078 -31.994 5.690 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.298 -37.387 6.674 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -10.994 -38.073 6.080 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -10.576 -37.269 7.292 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -15.002 -44.892 4.274 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -14.959 -44.032 3.856 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -15.460 -45.444 3.641 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -13.226 -40.945 4.252 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -12.610 -41.471 4.761 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -13.812 -41.585 3.848 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -16.192 -45.974 8.348 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -16.411 -45.444 7.582 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -16.860 -45.747 8.996 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -8.823 -36.474 1.892 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -9.119 -36.796 1.041 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -9.147 -35.574 1.934 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -16.598 -44.082 6.301 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -15.985 -43.449 6.674 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -16.086 -44.554 5.644 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -7.217 -33.260 3.543 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -6.792 -33.967 3.058 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -6.900 -32.459 3.126 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -4.372 -36.793 10.529 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -4.232 -37.384 9.790 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -4.204 -35.920 10.173 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -9.899 -39.831 0.301 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -10.611 -39.296 -0.050 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -9.208 -39.775 -0.359 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -6.596 -41.447 10.321 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -6.516 -40.684 10.893 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -7.197 -41.168 9.630 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -14.481 -40.222 6.769 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -13.916 -40.101 6.006 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -14.162 -39.585 7.408 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -8.172 -34.719 7.503 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -8.413 -34.057 8.151 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -8.370 -35.553 7.928 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.896 -33.722 2.373 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -9.422 -33.427 3.151 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -10.459 -32.984 2.140 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -7.322 -31.612 -2.209 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -6.947 -32.356 -2.680 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.318 -31.882 -1.291 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -7.653 -31.686 0.540 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -8.588 -31.586 0.719 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -7.373 -32.395 1.118 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -14.897 -47.765 6.579 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -15.758 -47.852 6.171 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -14.919 -46.909 7.006 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -10.572 -45.550 -2.762 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -10.826 -45.531 -1.839 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -10.829 -46.422 -3.063 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -14.806 -42.799 7.674 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -15.448 -42.840 8.383 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -14.769 -41.873 7.436 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -14.809 -42.578 2.586 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -15.702 -42.919 2.527 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -14.358 -42.955 1.830 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -10.171 -41.987 12.891 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -10.734 -42.691 13.211 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -9.345 -42.107 13.358 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -13.690 -45.105 -3.661 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -14.121 -45.550 -2.931 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -14.408 -44.733 -4.173 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -9.005 -41.078 8.888 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -8.681 -41.709 8.245 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -9.445 -41.613 9.549 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -13.746 -43.522 0.155 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -12.814 -43.393 0.333 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -13.961 -42.852 -0.494 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -15.905 -46.227 1.977 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -16.222 -47.129 1.942 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -15.124 -46.225 1.425 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -11.737 -37.762 -0.342 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -12.481 -38.269 -0.665 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -11.871 -37.713 0.604 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -9.611 -36.303 -1.317 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -9.906 -35.477 -0.935 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -10.314 -36.923 -1.121 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -7.967 -35.116 10.845 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -8.868 -34.933 10.577 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -7.933 -34.857 11.766 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -8.751 -37.038 8.424 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -9.177 -37.265 9.250 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -8.170 -37.776 8.241 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -6.548 -36.109 -2.502 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -6.195 -36.489 -1.698 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -7.497 -36.202 -2.416 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -6.092 -32.486 10.893 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -6.694 -33.041 10.398 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -5.811 -31.819 10.267 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -2.044 -31.629 -2.301 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -1.301 -31.043 -2.441 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -2.739 -31.061 -1.968 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -12.457 -34.997 -4.055 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -12.218 -35.745 -4.603 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -12.726 -35.385 -3.223 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -10.782 -33.729 -0.850 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -11.599 -33.232 -0.797 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -10.253 -33.254 -1.490 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -11.251 -44.132 1.122 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.439 -43.628 1.168 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -11.496 -44.277 2.036 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -10.715 -43.146 10.307 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -10.596 -42.572 11.064 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -10.060 -43.834 10.422 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -14.710 -45.988 -1.252 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -14.793 -45.099 -0.906 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -13.820 -46.253 -1.021 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -17.327 -48.114 5.597 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -17.556 -48.055 4.670 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -17.770 -48.906 5.904 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -10.419 -33.134 -3.917 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -11.063 -33.765 -3.595 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -9.657 -33.665 -4.149 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.934 -34.262 13.437 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.285 -35.118 13.680 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.208 -34.119 14.044 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -9.508 -36.360 -4.090 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -9.776 -36.180 -3.189 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -9.714 -37.286 -4.221 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -6.811 -37.865 10.858 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -6.066 -37.277 10.738 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -7.568 -37.283 10.921 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -13.711 -39.435 -1.520 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -14.170 -39.919 -0.834 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -13.456 -40.103 -2.156 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -14.422 -41.542 10.836 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -15.040 -40.867 11.117 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -14.078 -41.221 10.003 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -12.640 -41.192 -3.257 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -12.820 -41.346 -4.185 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -11.689 -41.084 -3.213 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -9.402 -39.071 14.114 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -8.449 -38.987 14.086 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -9.562 -39.782 14.733 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -14.082 -44.187 11.919 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -13.932 -44.916 11.316 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -14.080 -43.410 11.360 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -13.670 -45.817 9.411 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -13.134 -45.366 8.759 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -14.522 -45.925 8.989 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -12.088 -40.378 9.651 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -11.337 -40.534 9.078 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -12.427 -39.526 9.375 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -7.672 -42.563 14.679 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -7.480 -43.494 14.568 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -6.815 -42.138 14.669 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -6.356 -39.774 12.757 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -6.637 -39.065 12.179 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -5.413 -39.847 12.606 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -11.600 -44.039 13.406 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -11.836 -44.259 14.308 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -12.383 -44.246 12.897 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -12.642 -49.067 12.514 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -11.930 -49.707 12.500 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -12.743 -48.800 11.600 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -12.289 -47.384 14.568 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -12.420 -47.860 13.747 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -12.888 -46.640 14.512 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -10.718 -32.189 12.422 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -10.533 -32.523 13.300 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -9.871 -31.880 12.100 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -8.373 -30.904 11.666 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -7.696 -31.536 11.426 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -8.051 -30.502 12.474 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -8.122 -31.966 8.661 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -9.026 -31.801 8.395 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -7.693 -31.113 8.595 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -5.517 -30.396 8.956 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -5.699 -29.480 8.745 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -5.341 -30.806 8.109 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -13.119 -48.304 2.704 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -12.245 -47.916 2.674 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -13.255 -48.519 3.627 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -11.975 -46.224 -0.406 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -11.797 -46.870 0.277 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -12.029 -45.390 0.061 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -10.097 -31.275 -2.011 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -9.231 -30.909 -2.189 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -10.344 -31.715 -2.824 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -4.170 -32.961 12.819 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -4.952 -33.147 12.299 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -4.242 -32.032 13.036 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -8.620 -39.075 21.705 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -8.531 -38.131 21.573 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -9.259 -39.350 21.047 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -8.870 -31.776 23.638 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -8.250 -32.453 23.365 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -9.078 -31.994 24.546 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -11.298 -37.387 25.530 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -10.994 -38.073 24.936 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -10.576 -37.269 26.148 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -13.226 -40.945 23.108 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -12.610 -41.471 23.617 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -13.812 -41.585 22.704 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -2.243 -44.308 28.627 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -2.932 -43.650 28.532 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -2.228 -44.505 29.564 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -4.372 -36.793 29.385 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -4.232 -37.384 28.646 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -4.204 -35.920 29.029 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -9.899 -39.831 19.157 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -10.611 -39.296 18.806 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -9.208 -39.775 18.497 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -9.845 -41.373 16.196 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -9.144 -41.351 16.847 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.543 -42.001 15.540 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -8.172 -34.719 26.359 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -8.413 -34.057 27.007 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -8.370 -35.553 26.784 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -7.622 -40.459 17.794 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -7.043 -40.309 18.541 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -7.208 -39.988 17.071 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -9.896 -33.722 21.229 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -9.422 -33.427 22.007 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -10.459 -32.984 20.996 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -3.924 -48.709 17.607 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -4.823 -48.570 17.902 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -3.672 -47.878 17.205 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -1.817 -34.112 30.962 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -1.866 -35.067 30.925 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -2.643 -33.844 31.364 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -10.424 -30.766 19.644 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -10.499 -30.887 18.698 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -10.391 -29.816 19.763 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -4.665 -42.619 31.442 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -5.072 -42.138 30.722 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -4.624 -43.524 31.135 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -10.234 -48.043 28.809 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -9.814 -48.458 29.562 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -11.167 -48.221 28.926 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -6.908 -44.287 29.663 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -7.422 -44.413 30.460 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -7.063 -43.375 29.418 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -6.145 -39.426 15.424 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -6.103 -39.649 14.494 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -5.296 -39.028 15.614 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -10.572 -45.550 16.094 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -10.826 -45.531 17.017 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -10.829 -46.422 15.793 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.273 -42.162 20.259 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -9.682 -41.347 19.967 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.553 -42.302 19.644 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -10.171 -41.987 31.747 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -10.734 -42.691 32.067 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -9.345 -42.107 32.214 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -12.227 -45.151 22.528 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -13.138 -45.094 22.817 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -11.722 -45.211 23.339 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -4.535 -30.244 32.069 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -4.335 -29.820 31.234 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -3.879 -29.901 32.676 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -10.907 -42.363 24.415 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -10.343 -42.910 23.868 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -11.055 -42.885 25.204 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -12.281 -43.975 26.829 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -13.116 -43.521 26.939 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -11.757 -43.699 27.581 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -11.737 -37.762 18.514 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -12.481 -38.269 18.191 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -11.871 -37.713 19.460 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -7.839 -44.948 16.713 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -8.777 -44.836 16.562 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -7.542 -44.091 17.019 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -10.217 -37.578 29.751 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -10.563 -37.959 30.557 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -10.417 -36.644 29.822 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -7.967 -35.116 29.701 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -8.868 -34.933 29.433 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -7.933 -34.857 30.622 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -2.272 -37.071 30.905 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -3.124 -36.833 30.538 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -1.682 -37.088 30.152 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -14.237 -34.949 21.688 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -13.710 -34.176 21.487 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -15.117 -34.724 21.386 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -12.810 -37.286 21.264 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -13.051 -36.361 21.306 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -13.550 -37.745 21.660 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -8.751 -37.038 27.280 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -9.177 -37.265 28.106 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -8.170 -37.776 27.097 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -6.092 -32.486 29.749 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -6.694 -33.041 29.254 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -5.811 -31.819 29.123 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -12.457 -34.997 14.801 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -12.218 -35.745 14.253 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -12.726 -35.385 15.633 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -13.520 -35.427 17.257 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -13.373 -35.947 18.047 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -13.523 -34.520 17.563 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -9.235 -45.512 28.046 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -8.537 -45.438 28.696 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -9.616 -46.376 28.201 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -8.451 -45.860 19.143 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -8.231 -45.388 18.340 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -7.893 -45.465 19.814 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -10.782 -33.729 18.006 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -11.599 -33.232 18.059 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -10.253 -33.254 17.366 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -11.251 -44.132 19.978 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -10.439 -43.628 20.024 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -11.496 -44.277 20.892 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -10.715 -43.146 29.163 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -10.596 -42.572 29.920 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -10.060 -43.834 29.278 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -10.367 -47.051 20.916 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -10.714 -46.433 21.561 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -9.709 -46.550 20.435 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -13.444 -32.686 17.988 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -13.283 -31.886 17.487 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -13.641 -32.379 18.873 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.511 -45.239 29.998 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -5.427 -44.976 29.910 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.175 -45.242 29.101 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -10.419 -33.134 14.939 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -11.063 -33.765 15.261 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -9.657 -33.665 14.707 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -5.815 -33.317 15.173 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -5.532 -34.111 15.626 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -5.075 -33.084 14.612 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -9.508 -36.360 14.766 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -9.776 -36.180 15.667 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -9.714 -37.286 14.635 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -6.811 -37.865 29.714 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -6.066 -37.277 29.594 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -7.568 -37.283 29.777 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -12.088 -40.378 28.507 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -11.337 -40.534 27.934 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -12.427 -39.526 28.231 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -6.356 -39.774 31.613 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -6.637 -39.065 31.035 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -5.413 -39.847 31.462 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -8.884 -44.912 31.338 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -9.832 -44.880 31.470 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -8.572 -45.537 31.992 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -12.742 -30.501 16.600 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -11.809 -30.343 16.744 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -13.006 -29.826 15.975 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -2.543 -32.015 28.867 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -3.030 -32.750 28.496 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -1.994 -32.408 29.545 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -3.754 -39.424 31.045 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -3.171 -40.158 31.236 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -3.190 -38.652 31.091 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -2.257 -41.521 31.729 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -3.120 -41.900 31.564 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -1.653 -42.260 31.655 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -2.456 -46.404 31.783 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -3.373 -46.133 31.747 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -2.333 -46.939 30.999 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -8.373 -30.904 30.522 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -7.696 -31.536 30.282 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -8.051 -30.502 31.330 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -3.455 -48.314 29.602 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -4.268 -47.989 29.214 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -3.222 -49.074 29.069 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -10.449 -30.844 26.572 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -10.906 -30.315 25.918 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -10.286 -30.241 27.297 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -8.122 -31.966 27.517 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -9.026 -31.801 27.251 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -7.693 -31.113 27.451 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -10.025 -46.865 23.925 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -10.700 -47.494 24.180 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -9.461 -47.349 23.322 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -4.883 -48.758 24.037 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -4.279 -48.210 23.536 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -5.752 -48.438 23.797 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -7.562 -48.274 23.209 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -7.486 -48.179 22.260 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -7.838 -49.182 23.338 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -6.209 -48.248 18.902 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -6.912 -47.634 18.692 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -6.654 -49.086 19.033 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -10.097 -31.275 16.845 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -9.231 -30.909 16.667 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -10.344 -31.715 16.032 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.170 -32.961 31.675 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -4.952 -33.147 31.155 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.242 -32.032 31.892 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.981 -18.025 -33.142 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.422 -18.745 -32.692 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -5.994 -17.304 -32.512 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -8.870 -12.920 -32.930 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -8.250 -13.597 -33.203 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -9.078 -13.138 -32.022 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -2.243 -25.452 -27.941 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -2.932 -24.794 -28.036 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -2.228 -25.649 -27.004 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -7.217 -14.404 -34.169 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -6.792 -15.111 -34.654 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.900 -13.603 -34.586 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -6.058 -16.503 -35.660 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -6.315 -17.193 -36.272 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -5.987 -16.946 -34.815 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.530 -21.597 -29.117 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -3.182 -20.902 -29.028 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -2.065 -21.387 -29.927 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -6.596 -22.591 -27.391 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -6.516 -21.828 -26.819 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -7.197 -22.312 -28.082 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -8.172 -15.863 -30.209 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -8.413 -15.201 -29.561 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -8.370 -16.697 -29.784 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -4.665 -23.763 -25.126 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -5.072 -23.282 -25.846 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -4.624 -24.668 -25.433 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -6.908 -25.431 -26.905 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -7.422 -25.557 -26.108 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -7.063 -24.519 -27.150 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -4.587 -19.773 -29.268 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -3.945 -19.316 -29.811 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -5.417 -19.660 -29.730 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -7.967 -16.260 -26.867 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -8.868 -16.077 -27.135 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -7.933 -16.001 -25.946 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -3.940 -15.229 -38.035 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -4.313 -16.055 -37.725 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -3.663 -15.412 -38.932 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -6.780 -20.421 -31.013 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -7.708 -20.653 -31.040 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -6.329 -21.198 -31.343 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -8.751 -18.182 -29.288 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -9.177 -18.409 -28.462 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -8.170 -18.920 -29.471 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -4.511 -26.383 -26.570 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -5.427 -26.120 -26.658 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -4.175 -26.386 -27.467 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -5.909 -22.632 -32.474 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -6.706 -23.047 -32.803 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -5.464 -23.323 -31.983 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -7.934 -15.406 -24.275 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -8.285 -16.262 -24.032 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -7.208 -15.263 -23.668 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -6.811 -19.009 -26.854 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -6.066 -18.421 -26.974 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -7.568 -18.427 -26.791 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.402 -20.215 -23.598 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -8.449 -20.131 -23.626 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -9.562 -20.926 -22.979 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -7.672 -23.707 -23.033 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -7.480 -24.638 -23.144 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -6.815 -23.282 -23.043 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -6.356 -20.918 -24.955 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.637 -20.209 -25.533 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -5.413 -20.991 -25.106 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -2.791 -19.112 -37.549 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -1.941 -18.691 -37.421 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -2.786 -19.852 -36.941 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -2.397 -21.059 -35.725 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -3.123 -21.538 -35.327 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -1.816 -20.853 -34.993 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -4.259 -23.637 -28.488 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -5.102 -23.369 -28.122 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -3.816 -22.815 -28.699 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -1.976 -29.657 -23.134 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -1.626 -30.311 -23.740 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -1.829 -28.820 -23.574 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -2.456 -27.548 -24.785 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -3.373 -27.277 -24.821 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -2.333 -28.083 -25.569 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -5.368 -12.636 -35.051 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -4.715 -12.983 -35.659 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -4.857 -12.147 -34.405 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -10.718 -13.333 -25.290 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -10.533 -13.667 -24.412 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -9.871 -13.024 -25.612 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -8.373 -12.048 -26.046 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -7.696 -12.680 -26.286 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -8.051 -11.646 -25.238 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -8.122 -13.110 -29.051 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -9.026 -12.945 -29.317 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -7.693 -12.257 -29.117 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -3.388 -12.856 -37.043 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -3.582 -13.604 -37.608 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -3.427 -12.098 -37.627 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -7.346 -30.178 -23.586 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -7.270 -30.604 -22.732 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -6.453 -30.164 -23.928 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -2.635 -26.930 -11.321 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -2.586 -26.320 -10.585 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -2.209 -26.469 -12.044 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -2.243 -25.452 -9.085 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -2.932 -24.794 -9.180 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -2.228 -25.649 -8.148 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -5.516 -26.614 -14.200 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -5.731 -27.380 -13.668 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -4.860 -26.142 -13.687 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -5.169 -27.899 -10.521 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -5.905 -27.288 -10.559 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.485 -27.484 -11.047 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -7.217 -14.404 -15.313 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -6.792 -15.111 -15.798 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -6.900 -13.603 -15.730 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -6.058 -16.503 -16.804 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -6.315 -17.193 -17.416 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -5.987 -16.946 -15.959 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -4.372 -17.937 -8.327 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -4.232 -18.528 -9.066 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -4.204 -17.064 -8.683 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -9.845 -22.517 -21.516 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -9.144 -22.495 -20.865 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -9.543 -23.145 -22.172 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -2.530 -21.597 -10.261 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.182 -20.902 -10.172 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -2.065 -21.387 -11.071 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -6.493 -20.765 -17.603 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -7.225 -20.537 -17.030 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.046 -21.479 -17.148 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -7.622 -21.603 -19.918 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -7.043 -21.453 -19.171 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -7.208 -21.132 -20.641 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -3.924 -29.853 -20.105 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -4.823 -29.714 -19.810 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -3.672 -29.022 -20.507 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -1.817 -15.256 -6.750 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -1.866 -16.211 -6.787 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -2.643 -14.988 -6.348 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -7.322 -12.756 -21.065 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -6.947 -13.500 -21.536 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -7.318 -13.026 -20.147 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -7.653 -12.830 -18.316 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -8.588 -12.730 -18.137 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -7.373 -13.539 -17.738 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -10.234 -29.187 -8.903 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -9.814 -29.602 -8.150 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -11.167 -29.365 -8.786 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -6.908 -25.431 -8.049 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -7.422 -25.557 -7.252 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -7.063 -24.519 -8.294 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -4.587 -19.773 -10.412 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -3.945 -19.316 -10.955 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -5.417 -19.660 -10.874 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -7.121 -24.225 -19.338 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -6.229 -24.362 -19.019 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -7.064 -23.434 -19.875 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -2.236 -24.015 -19.644 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -2.790 -24.411 -20.316 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -2.135 -23.105 -19.921 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -2.272 -18.215 -6.807 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -3.124 -17.977 -7.174 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -1.682 -18.232 -7.560 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -6.548 -17.253 -21.358 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -6.195 -17.633 -20.554 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -7.497 -17.346 -21.272 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -5.682 -18.580 -19.132 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -5.959 -19.308 -18.576 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -4.755 -18.461 -18.926 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -4.511 -26.383 -7.714 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.427 -26.120 -7.802 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -4.175 -26.386 -8.611 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -5.815 -14.461 -22.539 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -5.532 -15.255 -22.086 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -5.075 -14.228 -23.100 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -9.508 -17.504 -22.946 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -9.776 -17.324 -22.045 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -9.714 -18.430 -23.077 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -8.884 -26.056 -6.374 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.832 -26.024 -6.242 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -8.572 -26.681 -5.720 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -7.250 -27.422 -4.369 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -7.347 -28.374 -4.375 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -7.572 -27.153 -3.508 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -12.642 -30.211 -6.342 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -11.930 -30.851 -6.356 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -12.743 -29.944 -7.256 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -2.106 -12.726 -11.767 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -2.128 -12.541 -10.828 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -1.416 -12.157 -12.108 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -2.543 -13.159 -8.845 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -3.030 -13.894 -9.216 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -1.994 -13.552 -8.167 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.092 -17.369 -4.207 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -4.958 -17.474 -3.813 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -3.716 -16.610 -3.760 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -2.791 -19.112 -18.693 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -1.941 -18.691 -18.565 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -2.786 -19.852 -18.085 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -2.397 -21.059 -16.869 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -3.123 -21.538 -16.471 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -1.816 -20.853 -16.137 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -2.638 -18.274 -11.921 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -1.804 -18.652 -12.202 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -2.526 -17.331 -12.040 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -4.151 -15.396 -9.614 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -4.799 -15.071 -8.989 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -4.669 -15.836 -10.289 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -3.780 -23.918 -21.927 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -3.683 -23.251 -22.607 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -3.920 -24.734 -22.409 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -4.610 -22.538 -16.306 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -4.760 -23.483 -16.326 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -4.964 -22.257 -15.462 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -3.754 -20.568 -6.667 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -3.171 -21.302 -6.476 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -3.190 -19.796 -6.621 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -2.257 -22.665 -5.983 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -3.120 -23.044 -6.148 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -1.653 -23.404 -6.057 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -4.532 -26.510 -22.810 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -3.922 -26.882 -22.173 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -5.369 -26.932 -22.614 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -4.900 -24.955 -17.844 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -4.620 -25.862 -17.719 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -4.141 -24.521 -18.233 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -4.288 -24.374 -12.408 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -3.355 -24.162 -12.442 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -4.523 -24.272 -11.485 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -4.259 -23.637 -9.632 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -5.102 -23.369 -9.266 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -3.816 -22.815 -9.843 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -1.976 -29.657 -4.278 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -1.626 -30.311 -4.884 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -1.829 -28.820 -4.718 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -4.286 -27.692 -17.795 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -4.104 -28.141 -16.970 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -4.886 -28.277 -18.259 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -2.456 -27.548 -5.929 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -3.373 -27.277 -5.965 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -2.333 -28.083 -6.713 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -2.420 -27.625 -21.267 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -2.007 -28.346 -21.743 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -1.738 -26.955 -21.209 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -5.368 -12.636 -16.195 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -4.715 -12.983 -16.803 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -4.857 -12.147 -15.549 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -4.883 -29.902 -13.675 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -4.279 -29.354 -14.176 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -5.752 -29.582 -13.915 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -3.156 -28.763 -15.341 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -2.544 -29.277 -15.868 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -2.773 -27.885 -15.318 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -6.209 -29.392 -18.810 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -6.912 -28.778 -19.020 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -6.654 -30.230 -18.679 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -7.346 -30.178 -4.730 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -7.270 -30.604 -3.876 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -6.453 -30.164 -5.072 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -2.635 -26.930 7.535 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -2.586 -26.320 8.271 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -2.209 -26.469 6.812 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -5.516 -26.614 4.656 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.731 -27.380 5.188 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -4.860 -26.142 5.169 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -5.169 -27.899 8.335 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -5.905 -27.288 8.297 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -4.485 -27.484 7.809 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -2.530 -21.597 8.595 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -3.182 -20.902 8.684 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -2.065 -21.387 7.785 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -6.596 -22.591 10.321 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -6.516 -21.828 10.893 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -7.197 -22.312 9.630 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -3.924 -29.853 -1.249 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -4.823 -29.714 -0.954 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -3.672 -29.022 -1.651 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -4.665 -23.763 12.586 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -5.072 -23.282 11.866 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -4.624 -24.668 12.279 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -10.234 -29.187 9.953 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -9.814 -29.602 10.706 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -11.167 -29.365 10.070 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -6.908 -25.431 10.807 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -7.422 -25.557 11.604 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -7.063 -24.519 10.562 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -10.171 -23.131 12.891 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -10.734 -23.835 13.211 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -9.345 -23.251 13.358 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -4.535 -11.388 13.213 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -4.335 -10.964 12.378 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -3.879 -11.045 13.820 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -9.235 -26.656 9.190 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -8.537 -26.582 9.840 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -9.616 -27.520 9.345 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.511 -26.383 11.142 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -5.427 -26.120 11.054 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -4.175 -26.386 10.245 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -3.250 -19.981 -3.812 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -3.523 -20.406 -4.625 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -3.210 -19.050 -4.029 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.672 -23.707 14.679 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -7.480 -24.638 14.568 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -6.815 -23.282 14.669 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -6.356 -20.918 12.757 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -6.637 -20.209 12.179 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -5.413 -20.991 12.606 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -11.600 -25.183 13.406 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -11.836 -25.403 14.308 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -12.383 -25.390 12.897 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -8.884 -26.056 12.482 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -9.832 -26.024 12.614 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -8.572 -26.681 13.136 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -12.289 -28.528 14.568 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -12.420 -29.004 13.747 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -12.888 -27.784 14.512 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -2.638 -18.274 6.935 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -1.804 -18.652 6.654 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -2.526 -17.331 6.816 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -3.754 -20.568 12.189 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -3.171 -21.302 12.380 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -3.190 -19.796 12.235 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -2.257 -22.665 12.873 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -3.120 -23.044 12.708 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -1.653 -23.404 12.799 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -4.532 -26.510 -3.954 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -3.922 -26.882 -3.317 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -5.369 -26.932 -3.758 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -4.259 -23.637 9.224 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -5.102 -23.369 9.590 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -3.816 -22.815 9.013 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -4.286 -27.692 1.061 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -4.104 -28.141 1.886 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -4.886 -28.277 0.597 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -2.420 -27.625 -2.411 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -2.007 -28.346 -2.887 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -1.738 -26.955 -2.353 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -4.883 -29.902 5.181 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -4.279 -29.354 4.680 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -5.752 -29.582 4.941 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -3.156 -28.763 3.515 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -2.544 -29.277 2.988 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -2.773 -27.885 3.538 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -7.562 -29.418 4.353 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -7.486 -29.323 3.404 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -7.838 -30.326 4.482 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -6.209 -29.392 0.046 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.912 -28.778 -0.164 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -6.654 -30.230 0.177 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -8.620 -20.219 21.705 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -8.531 -19.275 21.573 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -9.259 -20.494 21.047 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -9.687 -20.964 25.124 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -9.725 -21.610 25.829 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -10.010 -21.430 24.353 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -5.981 -18.025 23.426 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -6.422 -18.745 23.876 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -5.994 -17.304 24.056 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -8.870 -12.920 23.638 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -8.250 -13.597 23.365 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -9.078 -13.138 24.546 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -8.157 -24.137 25.858 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -8.014 -25.084 25.878 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -8.263 -23.930 24.929 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -12.166 -29.812 24.657 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -12.283 -30.761 24.603 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -13.021 -29.480 24.930 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -7.217 -14.404 22.399 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -6.792 -15.111 21.914 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -6.900 -13.603 21.982 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -6.058 -16.503 20.908 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -6.315 -17.193 20.296 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -5.987 -16.946 21.753 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -9.845 -22.517 16.196 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -9.144 -22.495 16.847 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -9.543 -23.145 15.540 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -6.493 -20.765 20.109 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -7.225 -20.537 20.682 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -6.046 -21.479 20.564 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -8.172 -15.863 26.359 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -8.413 -15.201 27.007 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -8.370 -16.697 26.784 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -7.622 -21.603 17.794 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -7.043 -21.453 18.541 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -7.208 -21.132 17.071 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -2.734 -15.487 15.984 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -2.661 -14.548 16.154 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -1.829 -15.792 15.927 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -10.234 -29.187 28.809 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -9.814 -29.602 29.562 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -11.167 -29.365 28.926 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -6.145 -20.570 15.424 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -6.103 -20.793 14.494 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -5.296 -20.172 15.614 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -10.572 -26.694 16.094 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -10.826 -26.675 17.017 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -10.829 -27.566 15.793 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -9.273 -23.306 20.259 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -9.682 -22.491 19.967 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -8.553 -23.446 19.644 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -10.171 -23.131 31.747 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -10.734 -23.835 32.067 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -9.345 -23.251 32.214 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -8.269 -23.860 23.073 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -8.464 -23.255 22.358 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -8.087 -24.694 22.638 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -13.690 -26.249 15.195 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -14.121 -26.694 15.925 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -14.408 -25.877 14.683 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -9.005 -22.222 27.744 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -8.681 -22.853 27.101 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -9.445 -22.757 28.405 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -12.227 -26.295 22.528 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -13.138 -26.238 22.817 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -11.722 -26.355 23.339 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -7.822 -27.060 25.792 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -8.499 -26.929 26.456 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -8.308 -27.215 24.982 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -4.535 -11.388 32.069 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -4.335 -10.964 31.234 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -3.879 -11.045 32.676 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -10.907 -23.507 24.415 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -10.343 -24.054 23.868 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -11.055 -24.029 25.204 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -12.281 -25.119 26.829 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -13.116 -24.665 26.939 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -11.757 -24.843 27.581 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -10.217 -18.722 29.751 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -10.563 -19.103 30.557 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -10.417 -17.788 29.822 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -7.967 -16.260 29.701 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -8.868 -16.077 29.433 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -7.933 -16.001 30.622 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -2.272 -18.215 30.905 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -3.124 -17.977 30.538 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -1.682 -18.232 30.152 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -3.940 -15.229 18.533 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -4.313 -16.055 18.843 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -3.663 -15.412 17.636 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -6.780 -20.421 25.555 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -7.708 -20.653 25.528 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -6.329 -21.198 25.225 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -8.751 -18.182 27.280 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -9.177 -18.409 28.106 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -8.170 -18.920 27.097 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -6.092 -13.630 29.749 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -6.694 -14.185 29.254 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -5.811 -12.963 29.123 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.044 -12.773 16.555 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -1.301 -12.187 16.415 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.739 -12.205 16.888 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -5.682 -18.580 18.580 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -5.959 -19.308 19.136 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -4.755 -18.461 18.786 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -9.235 -26.656 28.046 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -8.537 -26.582 28.696 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -9.616 -27.520 28.201 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -11.251 -25.276 19.978 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -10.439 -24.772 20.024 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -11.496 -25.421 20.892 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -10.715 -24.290 29.163 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -10.596 -23.716 29.920 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -10.060 -24.978 29.278 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -10.367 -28.195 20.916 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -10.714 -27.577 21.561 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -9.709 -27.694 20.435 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -5.909 -22.632 24.094 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -6.706 -23.047 23.765 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -5.464 -23.323 24.585 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -7.934 -15.406 32.293 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -8.285 -16.262 32.536 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -7.208 -15.263 32.900 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -6.811 -19.009 29.714 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -6.066 -18.421 29.594 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -7.568 -18.427 29.777 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -9.402 -20.215 32.970 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -8.449 -20.131 32.942 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -9.562 -20.926 33.589 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -3.250 -19.981 15.044 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -3.523 -20.406 14.231 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -3.210 -19.050 14.827 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -12.088 -21.522 28.507 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -11.337 -21.678 27.934 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -12.427 -20.670 28.231 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -7.672 -23.707 33.535 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -7.480 -24.638 33.424 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -6.815 -23.282 33.525 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -6.356 -20.918 31.613 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -6.637 -20.209 31.035 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -5.413 -20.991 31.462 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -11.600 -25.183 32.262 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -11.836 -25.403 33.164 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -12.383 -25.390 31.753 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -8.884 -26.056 31.338 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -9.832 -26.024 31.470 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -8.572 -26.681 31.992 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -7.250 -27.422 33.343 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -7.347 -28.374 33.337 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -7.572 -27.153 34.204 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -4.092 -17.369 33.505 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -4.958 -17.474 33.899 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -3.716 -16.610 33.952 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -2.791 -19.112 19.019 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -1.941 -18.691 19.147 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -2.786 -19.852 19.627 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -2.129 -21.158 17.234 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -2.650 -20.801 16.515 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -2.162 -20.483 17.912 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -1.976 -29.657 33.434 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -1.626 -30.311 32.828 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -1.829 -28.820 32.994 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -2.456 -27.548 31.783 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -3.373 -27.277 31.747 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -2.333 -28.083 30.999 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -5.368 -12.636 21.517 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -4.715 -12.983 20.909 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -4.857 -12.147 22.163 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -3.455 -29.458 29.602 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -4.268 -29.133 29.214 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -3.222 -30.218 29.069 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -8.122 -13.110 27.517 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -9.026 -12.945 27.251 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -7.693 -12.257 27.451 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -5.517 -11.540 27.812 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -5.699 -10.624 27.601 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -5.341 -11.950 26.965 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -10.025 -28.009 23.925 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -10.700 -28.638 24.180 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -9.461 -28.493 23.322 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -11.975 -27.368 18.450 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -11.797 -28.014 19.133 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -12.029 -26.534 18.917 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -3.388 -12.856 19.525 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -3.582 -13.604 18.960 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -3.427 -12.098 18.941 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 -4.170 -14.105 31.675 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 -4.952 -14.291 31.155 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 -4.242 -13.176 31.892 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 -2.734 -15.487 34.840 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 -2.661 -14.548 35.010 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 -1.829 -15.792 34.783 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 -6.145 -20.570 34.280 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 -6.103 -20.793 33.350 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 -5.296 -20.172 34.470 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -7.839 -26.092 35.569 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 -8.777 -25.980 35.418 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 -7.542 -25.235 35.875 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 -3.250 -19.981 33.900 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 -3.523 -20.406 33.087 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 -3.210 -19.050 33.683 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.129 -21.158 36.090 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -2.650 -20.801 35.371 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -2.162 -20.483 36.768 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 -3.780 -23.918 34.641 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 -3.683 -23.251 33.961 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 -3.920 -24.734 34.159 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 -4.532 -26.510 33.758 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 -3.922 -26.882 34.395 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 -5.369 -26.932 33.954 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -2.420 -27.625 35.301 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -2.007 -28.346 34.825 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -1.738 -26.955 35.359 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 -2.635 -8.074 -30.177 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 -2.586 -7.464 -29.441 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 -2.209 -7.613 -30.900 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 -2.243 -6.596 -27.941 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 -2.932 -5.938 -28.036 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 -2.228 -6.793 -27.004 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 -5.169 -9.043 -29.377 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 -5.905 -8.432 -29.415 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 -4.485 -8.628 -29.903 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 -6.908 -6.575 -26.905 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 -7.422 -6.701 -26.108 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 -7.063 -5.663 -27.150 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 -4.511 -7.527 -26.570 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 -5.427 -7.264 -26.658 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 -4.175 -7.530 -27.467 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 -7.250 -8.566 -23.225 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 -7.347 -9.518 -23.231 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 -7.572 -8.297 -22.364 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 -2.456 -8.692 -24.785 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 -3.373 -8.421 -24.821 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 -2.333 -9.227 -25.569 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 -4.883 -11.046 -32.531 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 -4.279 -10.498 -33.032 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 -5.752 -10.726 -32.771 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -3.156 -9.907 -34.197 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -2.544 -10.421 -34.724 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -2.773 -9.029 -34.174 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 -7.562 -10.562 -33.359 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 -7.486 -10.467 -34.308 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 -7.838 -11.470 -33.230 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 -7.346 -11.322 -23.586 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 -7.270 -11.748 -22.732 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 -6.453 -11.308 -23.928 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 -3.924 -10.997 -20.105 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 -4.823 -10.858 -19.810 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 -3.672 -10.166 -20.507 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -2.236 -5.159 -19.644 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -2.790 -5.555 -20.316 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -2.135 -4.249 -19.921 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -4.532 -7.654 -22.810 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -3.922 -8.026 -22.173 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -5.369 -8.076 -22.614 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 -4.286 -8.836 -17.795 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 -4.104 -9.285 -16.970 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 -4.886 -9.421 -18.259 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 -2.420 -8.769 -21.267 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 -2.007 -9.490 -21.743 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 -1.738 -8.099 -21.209 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 -4.883 -11.046 -13.675 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 -4.279 -10.498 -14.176 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 -5.752 -10.726 -13.915 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -3.156 -9.907 -15.341 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -2.544 -10.421 -15.868 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -2.773 -9.029 -15.318 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -6.209 -10.536 -18.810 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -6.912 -9.922 -19.020 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -6.654 -11.374 -18.679 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -2.257 -3.809 12.873 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.120 -4.188 12.708 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -1.653 -4.548 12.799 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -1.976 -10.801 14.578 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -1.626 -11.455 13.972 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 -1.829 -9.964 14.138 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 -2.456 -8.692 12.927 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 -3.373 -8.421 12.891 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 -2.333 -9.227 12.143 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 -2.635 -8.074 26.391 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 -2.586 -7.464 27.127 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 -2.209 -7.613 25.668 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 -5.516 -7.758 23.512 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 -5.731 -8.524 24.044 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 -4.860 -7.286 24.025 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -5.169 -9.043 27.191 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -5.905 -8.432 27.153 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 -4.485 -8.628 26.665 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -3.924 -10.997 17.607 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -4.823 -10.858 17.902 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -3.672 -10.166 17.205 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 -2.236 -5.159 18.068 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 -2.790 -5.555 17.396 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 -2.135 -4.249 17.791 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 -2.397 -2.203 20.843 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 -3.123 -2.682 21.241 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 -1.816 -1.997 21.575 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 -2.129 -2.302 17.234 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 -2.650 -1.945 16.515 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 -2.162 -1.627 17.912 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 -3.780 -5.062 15.785 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 -3.683 -4.395 15.105 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 -3.920 -5.878 15.303 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -4.532 -7.654 14.902 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -3.922 -8.026 15.539 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -5.369 -8.076 15.098 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 -4.900 -6.099 19.868 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 -4.620 -7.006 19.993 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 -4.141 -5.665 19.479 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 -1.976 -10.801 33.434 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 -1.626 -11.455 32.828 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 -1.829 -9.964 32.994 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 -4.286 -8.836 19.917 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 -4.104 -9.285 20.742 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 -4.886 -9.421 19.453 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 -2.420 -8.769 16.445 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 -2.007 -9.490 15.969 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 -1.738 -8.099 16.503 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 -3.455 -10.602 29.602 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 -4.268 -10.277 29.214 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 -3.222 -11.362 29.069 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 -4.883 -11.046 24.037 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -4.279 -10.498 23.536 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 -5.752 -10.726 23.797 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 -3.156 -9.907 22.371 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 -2.544 -10.421 21.844 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 -2.773 -9.029 22.394 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 -6.209 -10.536 18.902 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 -6.912 -9.922 18.692 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 -6.654 -11.374 19.033 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 5.233 -57.154 -10.220 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 4.493 -56.556 -10.117 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.947 -56.600 -10.536 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 3.641 -55.190 -9.433 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 3.635 -54.311 -9.811 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 2.787 -55.273 -9.008 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 13.387 -53.897 -11.938 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 12.445 -53.839 -11.777 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 13.663 -52.991 -12.075 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 11.639 -52.116 -15.313 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 12.064 -52.823 -15.798 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 11.956 -51.315 -15.730 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 14.484 -55.649 -8.327 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 14.624 -56.240 -9.066 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 14.652 -54.776 -8.683 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 12.260 -60.303 -8.535 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 12.340 -59.540 -7.963 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 11.659 -60.024 -9.226 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 5.375 -54.419 -13.039 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 5.280 -54.997 -13.796 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 6.104 -54.790 -12.543 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 10.684 -53.575 -11.353 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 10.443 -52.913 -10.705 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 10.486 -54.409 -10.928 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 5.255 -54.679 -7.370 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 4.943 -53.897 -6.914 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 4.605 -54.832 -8.056 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 2.175 -58.481 -8.141 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 2.245 -57.830 -7.443 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.284 -58.378 -8.476 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 8.960 -52.578 -16.483 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 9.434 -52.283 -15.705 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 8.397 -51.840 -16.716 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 -0.909 -56.414 -9.316 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -1.410 -56.442 -10.131 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 -0.903 -57.320 -9.006 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 17.039 -52.968 -6.750 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 16.990 -53.923 -6.787 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 16.213 -52.700 -6.348 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 8.018 -53.394 -7.874 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 8.105 -52.568 -7.399 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 7.154 -53.724 -7.625 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 8.432 -49.622 -18.068 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 8.357 -49.743 -19.014 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.465 -48.672 -17.949 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 2.086 -50.833 -16.287 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 2.238 -51.181 -15.408 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 1.235 -51.189 -16.542 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 11.203 -50.542 -18.316 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 10.268 -50.442 -18.137 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 11.483 -51.251 -17.738 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 14.191 -61.475 -6.270 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 13.784 -60.994 -6.990 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 14.232 -62.380 -6.577 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 1.340 -55.091 -8.273 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 1.557 -55.452 -7.413 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 0.485 -55.465 -8.483 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 8.685 -60.843 -5.965 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 8.122 -61.547 -5.645 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 9.511 -60.963 -5.498 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 1.919 -56.626 -6.035 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 2.652 -56.372 -5.474 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 1.139 -56.422 -5.520 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 14.269 -57.485 -10.412 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 14.911 -57.028 -10.955 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 13.439 -57.372 -10.874 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 8.639 -56.434 -7.961 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 8.293 -56.815 -7.155 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 8.439 -55.500 -7.890 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 6.269 -59.345 -5.901 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 5.973 -59.511 -6.796 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 7.200 -59.565 -5.911 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 16.584 -55.927 -6.807 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 15.732 -55.689 -7.174 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 17.174 -55.944 -7.560 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 6.561 -51.993 -10.133 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 6.924 -51.138 -10.366 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 7.093 -52.285 -9.392 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 4.730 -51.120 -16.903 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 3.780 -51.015 -16.851 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 5.081 -50.300 -16.558 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 10.105 -55.894 -10.432 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 9.679 -56.121 -9.606 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 10.686 -56.632 -10.615 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 0.537 -52.304 -10.121 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 0.754 -53.236 -10.152 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 0.784 -52.030 -9.237 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 14.034 -51.088 -11.996 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 13.878 -50.410 -12.653 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 14.966 -51.016 -11.793 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 -0.252 -50.417 -5.768 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 0.288 -50.634 -5.009 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 -0.733 -51.223 -5.958 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 -0.345 -56.607 -4.814 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 -0.201 -57.509 -5.100 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 -1.118 -56.321 -5.302 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 6.310 -56.637 -5.381 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 5.982 -56.366 -6.239 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 6.462 -57.578 -5.469 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 12.045 -56.721 -7.998 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 12.790 -56.133 -8.118 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 11.288 -56.139 -7.935 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 0.487 -59.407 -5.394 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 0.895 -60.264 -5.515 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 0.227 -59.392 -4.473 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 4.434 -60.398 -8.020 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 3.816 -59.723 -7.739 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 4.778 -60.077 -8.853 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 9.454 -57.927 -4.742 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 10.407 -57.843 -4.770 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 9.294 -58.638 -4.123 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 11.184 -61.419 -4.177 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 11.376 -62.350 -4.288 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 12.041 -60.994 -4.187 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 12.500 -58.630 -6.099 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 12.219 -57.921 -6.677 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 13.443 -58.703 -6.250 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 3.252 -61.845 -5.026 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 2.485 -62.377 -5.236 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 3.931 -62.155 -5.625 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 6.114 -49.357 -21.112 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 7.047 -49.199 -20.968 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 5.850 -48.682 -21.737 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 -1.669 -49.328 -16.552 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 -2.316 -49.790 -17.085 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 -1.314 -50.000 -15.969 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -0.799 -51.247 -14.747 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -1.133 -52.128 -14.575 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -0.577 -50.902 -13.883 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 16.750 -50.438 -11.767 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 16.728 -50.253 -10.828 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 17.440 -49.869 -12.108 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 16.313 -50.871 -8.845 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 15.826 -51.606 -9.216 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 16.862 -51.264 -8.167 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 16.218 -55.986 -11.921 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 17.052 -56.364 -12.202 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 16.330 -55.043 -12.040 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 14.705 -53.108 -9.614 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 14.057 -52.783 -8.989 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 14.187 -53.548 -10.289 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 15.102 -58.280 -6.667 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 15.685 -59.014 -6.476 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 15.666 -57.508 -6.621 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 16.599 -60.377 -5.983 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 15.736 -60.756 -6.148 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 17.203 -61.116 -6.057 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 13.488 -50.348 -16.195 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 14.141 -50.695 -16.803 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 13.999 -49.859 -15.549 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 3.827 -52.444 -9.393 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 3.402 -51.635 -9.676 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 4.732 -52.359 -9.695 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 13.339 -49.252 -9.900 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 13.157 -48.336 -10.111 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 13.515 -49.662 -10.747 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 0.644 -50.565 -12.435 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 0.625 -50.990 -11.578 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 1.449 -50.883 -12.844 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 2.785 -51.855 -13.780 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 2.566 -52.771 -13.611 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 3.609 -51.715 -13.314 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 5.322 -51.385 -12.932 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 5.535 -52.273 -13.219 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 5.387 -51.419 -11.977 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 9.169 -58.676 6.268 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 9.131 -59.322 6.973 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 8.846 -59.142 5.497 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 1.537 -59.061 7.861 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 1.579 -59.687 8.585 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 2.240 -58.438 8.043 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 -0.929 -60.951 1.789 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 -1.377 -60.105 1.771 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 -1.490 -61.531 1.274 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 -0.219 -58.789 3.915 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 -0.005 -59.559 4.442 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 0.519 -58.700 3.312 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 10.699 -61.849 7.002 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 10.842 -62.796 7.022 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 10.593 -61.642 6.073 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 11.576 -63.617 2.675 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 12.222 -63.946 3.300 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 12.086 -63.099 2.052 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 0.474 -61.351 5.036 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 1.128 -61.901 5.468 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 0.498 -61.625 4.120 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 5.630 -59.801 4.252 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 6.246 -60.327 4.761 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 5.044 -60.441 3.848 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 14.484 -55.649 10.529 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 14.624 -56.240 9.790 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 14.652 -54.776 10.173 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 9.011 -60.229 -2.660 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 9.712 -60.207 -2.009 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 9.313 -60.857 -3.316 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 16.326 -59.309 8.595 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 15.674 -58.614 8.684 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 16.791 -59.099 7.785 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 4.375 -59.078 6.769 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 4.940 -58.957 6.006 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 4.694 -58.441 7.408 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 10.684 -53.575 7.503 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 10.443 -52.913 8.151 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 10.486 -54.409 7.928 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 2.998 -58.777 0.725 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 2.706 -58.009 0.234 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 2.324 -59.437 0.562 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 -0.909 -56.414 9.540 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 -1.410 -56.442 8.725 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 -0.903 -57.320 9.850 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 17.039 -52.968 12.106 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 16.990 -53.923 12.069 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 16.213 -52.700 12.508 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 12.711 -58.282 -3.432 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 12.753 -58.505 -4.362 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 13.560 -57.884 -3.242 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 8.284 -64.406 -2.762 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 8.030 -64.387 -1.839 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 8.027 -65.278 -3.063 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 4.050 -61.655 7.674 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 3.408 -61.696 8.383 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 4.087 -60.729 7.436 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 4.047 -61.434 2.586 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 3.154 -61.775 2.527 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 4.498 -61.811 1.830 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 10.587 -61.572 4.217 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 10.392 -60.967 3.502 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 10.769 -62.406 3.782 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 1.800 -61.335 9.541 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 1.762 -60.935 10.409 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 1.309 -62.152 9.631 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 9.851 -59.934 8.888 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 10.175 -60.565 8.245 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 9.411 -60.469 9.549 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 6.629 -64.007 3.672 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 5.718 -63.950 3.961 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 7.134 -64.067 4.483 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 5.110 -62.378 0.155 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 6.042 -62.249 0.333 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 4.895 -61.708 -0.494 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 3.784 -61.183 -2.278 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 3.242 -61.563 -2.969 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 4.618 -60.989 -2.707 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 14.321 -49.100 13.213 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 14.521 -48.676 12.378 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 14.977 -48.757 13.820 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 7.949 -61.219 5.559 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 8.513 -61.766 5.012 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 7.801 -61.741 6.348 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 14.269 -57.485 8.444 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 14.911 -57.028 7.901 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 13.439 -57.372 7.982 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 11.017 -63.804 -2.143 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 10.079 -63.692 -2.294 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 11.314 -62.947 -1.837 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 8.639 -56.434 10.895 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 8.293 -56.815 11.701 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 8.439 -55.500 10.966 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 11.735 -61.937 -0.482 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 12.627 -62.074 -0.163 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 11.792 -61.146 -1.019 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -0.748 -58.862 10.742 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -0.525 -59.280 11.574 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 -1.350 -59.475 10.320 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 6.269 -59.345 12.955 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 5.973 -59.511 12.060 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 7.200 -59.565 12.945 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 10.889 -53.972 10.845 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 9.988 -53.789 10.577 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 10.923 -53.713 11.766 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 16.620 -61.727 -0.788 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 16.066 -62.123 -1.460 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 16.721 -60.817 -1.065 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 16.584 -55.927 12.049 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 15.732 -55.689 11.682 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 17.174 -55.944 11.296 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 12.076 -58.133 6.699 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 11.148 -58.365 6.672 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 12.527 -58.910 6.369 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 0.374 -58.943 -2.581 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 0.990 -58.316 -2.202 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 -0.488 -58.627 -2.310 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 10.105 -55.894 8.424 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 9.679 -56.121 9.250 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 10.686 -56.632 8.241 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 12.764 -51.342 10.893 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 12.162 -51.897 10.398 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 13.045 -50.675 10.267 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 10.405 -64.716 0.287 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 10.625 -64.244 -0.516 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 10.963 -64.321 0.958 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 7.605 -62.988 1.122 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 8.417 -62.484 1.168 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 7.360 -63.133 2.036 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 12.947 -60.344 5.238 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 12.150 -60.759 4.909 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 13.392 -61.035 5.729 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 14.034 -51.088 6.860 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 13.878 -50.410 6.203 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 14.966 -51.016 7.063 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 12.045 -56.721 10.858 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 12.790 -56.133 10.738 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 11.288 -56.139 10.921 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 0.487 -59.407 13.462 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 0.895 -60.264 13.341 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 0.227 -59.392 14.383 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 5.145 -58.291 -1.520 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 4.686 -58.775 -0.834 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 5.400 -58.959 -2.156 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 4.434 -60.398 10.836 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 3.816 -59.723 11.117 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 4.778 -60.077 10.003 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 6.216 -60.048 -3.257 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 6.036 -60.202 -4.185 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 7.167 -59.940 -3.213 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 9.454 -57.927 14.114 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 10.407 -57.843 14.086 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 9.294 -58.638 14.733 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 6.768 -59.234 9.651 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 7.519 -59.390 9.078 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 6.429 -58.382 9.375 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 12.500 -58.630 12.757 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 12.219 -57.921 12.179 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 13.443 -58.703 12.606 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 3.252 -61.845 13.830 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 2.485 -62.377 13.620 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 3.931 -62.155 13.231 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 16.750 -50.438 7.089 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 16.728 -50.253 8.028 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 17.440 -49.869 6.748 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 16.313 -50.871 10.011 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 15.826 -51.606 9.640 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 16.862 -51.264 10.689 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 16.459 -58.771 1.987 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 15.733 -59.250 2.385 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 17.040 -58.565 2.719 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 14.705 -53.108 9.242 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 14.057 -52.783 9.867 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 14.187 -53.548 8.567 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 15.076 -61.630 -3.071 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 15.173 -60.963 -3.751 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 14.936 -62.446 -3.553 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 14.246 -60.250 2.550 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 14.096 -61.195 2.530 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 13.892 -59.969 3.394 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 -0.719 -58.172 6.560 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 -0.535 -58.254 5.625 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 0.130 -58.296 6.984 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.102 -58.280 12.189 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 15.685 -59.014 12.380 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 15.666 -57.508 12.235 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 13.956 -62.667 1.012 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 14.236 -63.574 1.137 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 14.715 -62.233 0.623 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 14.568 -62.086 6.448 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 15.501 -61.874 6.414 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 14.333 -61.984 7.371 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 14.597 -61.349 9.224 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 13.754 -61.081 9.590 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 15.040 -60.527 9.013 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 -1.596 -61.590 6.661 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 -1.104 -61.811 5.871 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 -1.234 -60.749 6.942 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 10.734 -50.822 8.661 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 9.830 -50.657 8.395 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 11.163 -49.969 8.595 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 6.881 -65.080 -0.406 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 7.059 -65.726 0.277 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 6.827 -64.246 0.061 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 14.686 -51.817 12.819 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 13.904 -52.003 12.299 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 14.614 -50.888 13.036 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 10.236 -57.931 21.705 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 10.325 -56.987 21.573 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 9.597 -58.206 21.047 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 12.875 -55.737 23.426 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 12.434 -56.457 23.876 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 12.862 -55.016 24.056 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 2.461 -54.611 25.252 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 2.091 -55.413 24.883 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 3.402 -54.780 25.299 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 9.986 -50.632 23.638 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 10.606 -51.309 23.365 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 9.778 -50.850 24.546 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 10.033 -55.330 20.748 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 9.737 -55.652 19.897 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 9.709 -54.430 20.790 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 -0.238 -55.519 19.061 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 -0.510 -55.290 18.172 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 -0.193 -54.681 19.521 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 11.639 -52.116 22.399 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 12.064 -52.823 21.914 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 11.956 -51.315 21.982 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 12.798 -54.215 20.908 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 12.541 -54.905 20.296 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 12.869 -54.658 21.753 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 8.957 -58.687 19.157 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 8.245 -58.152 18.806 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 9.648 -58.631 18.497 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 9.011 -60.229 16.196 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 9.712 -60.207 16.847 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 9.313 -60.857 15.540 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 12.363 -58.477 20.109 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 11.631 -58.249 20.682 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 12.810 -59.191 20.564 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 4.008 -57.847 21.992 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 3.678 -58.217 21.173 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 4.596 -58.517 22.338 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 5.375 -54.419 24.673 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 5.280 -54.997 23.916 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 6.104 -54.790 25.169 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 11.234 -59.315 17.794 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 11.813 -59.165 18.541 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 11.648 -58.844 17.071 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 8.960 -52.578 21.229 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 9.434 -52.283 22.007 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 8.397 -51.840 20.996 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 2.998 -58.777 19.581 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 2.706 -58.009 19.090 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 2.324 -59.437 19.418 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 16.122 -53.199 15.984 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 16.195 -52.260 16.154 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 17.027 -53.504 15.927 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -1.158 -53.634 25.280 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 -0.212 -53.778 25.261 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 -1.271 -52.850 25.817 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 12.711 -58.282 15.424 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 12.753 -58.505 14.494 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 13.560 -57.884 15.614 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 7.119 -56.618 18.514 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 6.375 -57.125 18.191 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 6.985 -56.569 19.460 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 14.916 -52.941 18.533 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 14.543 -53.767 18.843 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 15.193 -53.124 17.636 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 0.374 -58.943 16.275 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 0.990 -58.316 16.654 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -0.488 -58.627 16.546 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 6.046 -56.142 21.264 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 5.805 -55.217 21.306 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 5.306 -56.601 21.660 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 6.561 -51.993 27.579 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 6.924 -51.138 27.346 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 7.093 -52.285 28.320 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 16.812 -50.485 16.555 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 17.555 -49.899 16.415 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 16.117 -49.917 16.888 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 13.174 -56.292 18.580 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 12.897 -57.020 19.136 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 14.101 -56.173 18.786 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 0.537 -52.304 27.591 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 0.754 -53.236 27.560 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 0.784 -52.030 28.475 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 1.789 -57.030 17.767 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 1.103 -56.678 18.334 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 2.312 -56.267 17.521 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 0.459 -53.030 20.614 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 -0.373 -52.557 20.641 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 1.005 -52.520 20.015 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 5.145 -58.291 17.336 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 4.686 -58.775 18.022 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 5.400 -58.959 16.700 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 6.216 -60.048 15.599 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 6.036 -60.202 14.671 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 7.167 -59.940 15.643 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 15.606 -57.693 15.044 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 15.333 -58.118 14.231 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 15.646 -56.762 14.827 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 -1.669 -49.328 21.160 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 -2.316 -49.790 20.627 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 -1.314 -50.000 21.743 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 -0.799 -51.247 22.965 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 -1.133 -52.128 23.137 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 -0.577 -50.902 23.829 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 16.065 -56.824 19.019 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 16.915 -56.403 19.147 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 16.070 -57.564 19.627 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 16.727 -58.870 17.234 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 16.206 -58.513 16.515 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 16.694 -58.195 17.912 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 13.488 -50.348 21.517 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 14.141 -50.695 20.909 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 13.999 -49.859 22.163 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 3.827 -52.444 28.319 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 3.402 -51.635 28.036 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 4.732 -52.359 28.017 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 1.229 -49.188 28.366 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 0.509 -48.748 27.915 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 0.863 -49.439 29.215 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 3.696 -49.588 27.396 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 2.831 -49.516 27.800 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 3.641 -49.041 26.612 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 8.407 -49.700 26.572 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 7.950 -49.171 25.918 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 8.570 -49.097 27.297 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 0.644 -50.565 25.277 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 0.625 -50.990 26.134 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 1.449 -50.883 24.868 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 2.785 -51.855 23.932 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 2.566 -52.771 24.101 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 3.609 -51.715 24.398 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 5.322 -51.385 24.780 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 5.535 -52.273 24.493 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 5.387 -51.419 25.735 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 15.468 -50.568 19.525 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 15.274 -51.316 18.960 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 15.429 -49.810 18.941 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 3.494 -33.751 -25.462 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 3.502 -33.887 -26.410 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 2.578 -33.869 -25.210 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 1.340 -36.235 -27.129 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 1.557 -36.596 -26.269 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 0.485 -36.609 -27.339 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 1.919 -37.770 -24.891 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 2.652 -37.516 -24.330 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 1.139 -37.566 -24.376 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 -0.748 -40.006 -26.970 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 -0.525 -40.424 -26.138 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 -1.350 -40.619 -27.392 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 -0.252 -31.561 -24.624 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 0.288 -31.778 -23.865 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 -0.733 -32.367 -24.814 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 4.345 -32.642 -23.004 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 5.113 -33.101 -22.663 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 4.324 -32.868 -23.934 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 -0.345 -37.751 -23.670 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 -0.201 -38.653 -23.956 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 -1.118 -37.465 -24.158 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 6.310 -37.781 -24.237 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 5.982 -37.510 -25.095 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 6.462 -38.722 -24.325 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 0.487 -40.551 -24.250 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 0.895 -41.408 -24.371 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 0.227 -40.536 -23.329 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 9.454 -39.071 -23.598 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 10.407 -38.987 -23.626 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 9.294 -39.782 -22.979 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 3.252 -42.989 -23.882 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 2.485 -43.521 -24.092 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 3.931 -43.299 -24.481 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 7.256 -44.039 -24.306 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 7.020 -44.259 -23.404 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 6.473 -44.246 -24.815 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 1.433 -45.068 -24.177 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 1.644 -45.775 -24.788 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 1.321 -45.506 -23.333 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 0.873 -34.563 -24.508 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 0.052 -34.388 -24.968 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 0.621 -34.636 -23.587 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 10.236 -39.075 -16.007 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 10.325 -38.131 -16.139 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 9.597 -39.350 -16.665 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 12.875 -36.881 -14.286 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 12.434 -37.601 -13.836 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 12.862 -36.160 -13.656 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 11.576 -44.761 -16.181 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 12.222 -45.090 -15.556 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 12.086 -44.243 -16.804 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 10.033 -36.474 -16.964 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 9.737 -36.796 -17.815 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 9.709 -35.574 -16.922 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 13.387 -35.041 -11.938 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 12.445 -34.983 -11.777 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 13.663 -34.135 -12.075 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 12.798 -35.359 -16.804 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 12.541 -36.049 -17.416 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 12.869 -35.802 -15.959 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 9.011 -41.373 -21.516 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 9.712 -41.351 -20.865 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 9.313 -42.001 -22.172 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 16.326 -40.453 -10.261 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 15.674 -39.758 -10.172 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 16.791 -40.243 -11.071 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 12.363 -39.621 -17.603 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 11.631 -39.393 -17.030 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 12.810 -40.335 -17.148 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 10.684 -34.719 -11.353 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 10.443 -34.057 -10.705 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 10.486 -35.553 -10.928 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 11.234 -40.459 -19.918 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 11.813 -40.309 -19.171 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 11.648 -39.988 -20.641 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 17.039 -34.112 -6.750 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 16.990 -35.067 -6.787 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 16.213 -33.844 -6.348 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 11.534 -31.612 -21.065 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 11.909 -32.356 -21.536 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 11.538 -31.882 -20.147 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 8.284 -45.550 -21.618 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 8.030 -45.531 -20.695 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 8.027 -46.422 -21.919 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 9.583 -42.162 -17.453 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 9.174 -41.347 -17.745 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 10.303 -42.302 -18.068 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 10.587 -42.716 -14.639 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 10.392 -42.111 -15.354 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 10.769 -43.550 -15.074 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 5.166 -45.105 -22.517 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 4.735 -45.550 -21.787 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 4.448 -44.733 -23.029 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 -0.317 -44.617 -20.041 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 0.157 -44.026 -20.626 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 -1.035 -44.086 -19.694 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 11.735 -43.081 -19.338 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 12.627 -43.218 -19.019 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 11.792 -42.290 -19.875 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 9.245 -36.303 -20.173 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.950 -35.477 -19.791 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 8.542 -36.923 -19.977 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 16.584 -37.071 -6.807 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 15.732 -36.833 -7.174 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 17.174 -37.088 -7.560 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 14.916 -34.085 -19.179 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 14.543 -34.911 -18.869 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 15.193 -34.268 -20.076 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 12.764 -32.486 -7.963 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 12.162 -33.041 -8.458 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 13.045 -31.819 -8.589 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 13.174 -37.436 -19.132 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 12.897 -38.164 -18.576 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 14.101 -37.317 -18.926 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 6.399 -34.997 -22.911 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 6.638 -35.745 -23.459 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 6.130 -35.385 -22.079 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 5.336 -35.427 -20.455 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 5.483 -35.947 -19.665 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 5.333 -34.520 -20.149 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 10.405 -45.860 -18.569 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 10.625 -45.388 -19.372 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 10.963 -45.465 -17.898 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 8.074 -33.729 -19.706 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 7.257 -33.232 -19.653 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 8.603 -33.254 -20.346 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 7.605 -44.132 -17.734 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 8.417 -43.628 -17.688 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 7.360 -44.277 -16.820 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 8.489 -47.051 -16.796 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 8.142 -46.433 -16.151 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 9.147 -46.550 -17.277 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 4.146 -45.988 -20.108 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 4.063 -45.099 -19.762 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 5.036 -46.253 -19.877 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 0.721 -42.896 -21.932 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 0.676 -41.957 -21.753 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 -0.167 -43.132 -22.202 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 14.034 -32.232 -11.996 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 13.878 -31.554 -12.653 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 14.966 -32.160 -11.793 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 -0.252 -31.561 -5.768 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 0.288 -31.778 -5.009 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 -0.733 -32.367 -5.958 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 8.437 -33.134 -22.773 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 7.793 -33.765 -22.451 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 9.199 -33.665 -23.005 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 3.996 -37.407 -22.682 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 4.060 -38.201 -22.151 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 4.649 -37.526 -23.371 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 9.348 -36.360 -22.946 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 9.080 -36.180 -22.045 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 9.142 -37.286 -23.077 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 5.145 -39.435 -20.376 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 4.686 -39.919 -19.690 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 5.400 -40.103 -21.012 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 6.216 -41.192 -22.113 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 6.036 -41.346 -23.041 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 7.167 -41.084 -22.069 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 6.114 -30.501 -21.112 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 7.047 -30.343 -20.968 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 5.850 -29.826 -21.737 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -1.669 -30.472 -16.552 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 -2.316 -30.934 -17.085 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 -1.314 -31.144 -15.969 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 -0.799 -32.391 -14.747 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 -1.133 -33.272 -14.575 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 -0.577 -32.046 -13.883 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 16.750 -31.582 -11.767 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 16.728 -31.397 -10.828 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 17.440 -31.013 -12.108 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 16.313 -32.015 -8.845 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 15.826 -32.750 -9.216 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 16.862 -32.408 -8.167 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 14.764 -36.225 -4.207 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 13.898 -36.330 -3.813 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 15.140 -35.466 -3.760 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 16.459 -39.915 -16.869 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 15.733 -40.394 -16.471 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 17.040 -39.709 -16.137 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 16.218 -37.130 -11.921 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 17.052 -37.508 -12.202 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 16.330 -36.187 -12.040 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 14.705 -34.252 -9.614 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 14.057 -33.927 -8.989 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 14.187 -34.692 -10.289 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 14.246 -41.394 -16.306 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 14.096 -42.339 -16.326 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 13.892 -41.113 -15.462 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 13.956 -43.811 -17.844 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 14.236 -44.718 -17.719 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 14.715 -43.377 -18.233 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 14.570 -46.548 -17.795 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 14.752 -46.997 -16.970 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 13.970 -47.133 -18.259 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 -1.283 -46.476 -18.140 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 -2.208 -46.267 -18.270 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 -0.829 -45.992 -18.830 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 -1.319 -47.738 -9.796 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 -1.984 -47.984 -9.153 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 -1.762 -47.116 -10.373 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 15.401 -48.314 -8.110 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 14.588 -47.989 -8.498 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 15.634 -49.074 -8.643 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 13.973 -48.758 -13.675 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 14.577 -48.210 -14.176 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 13.104 -48.438 -13.915 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 15.700 -47.619 -15.341 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 16.312 -48.133 -15.868 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 16.083 -46.741 -15.318 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 1.157 -48.231 -15.965 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 0.380 -48.465 -16.473 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 1.688 -49.028 -15.957 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 -0.006 -48.433 -20.162 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 0.433 -47.822 -20.753 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 -0.640 -47.895 -19.688 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.737 -48.304 -16.152 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 6.611 -47.916 -16.182 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 5.601 -48.519 -15.229 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 12.647 -48.248 -18.810 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 11.944 -47.634 -19.020 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 12.202 -49.086 -18.679 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 1.855 -46.517 -21.719 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 2.346 -47.147 -22.247 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 2.478 -46.221 -21.056 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 6.881 -46.224 -19.262 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 7.059 -46.870 -18.579 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 6.827 -45.390 -18.795 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 8.759 -31.275 -20.867 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 9.625 -30.909 -21.045 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 8.512 -31.715 -21.680 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 15.468 -31.712 -18.187 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 15.274 -32.460 -18.752 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 15.429 -30.954 -18.771 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 1.713 -31.565 -22.239 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 1.445 -31.278 -21.366 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 2.484 -32.111 -22.087 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 14.686 -32.961 -6.037 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 13.904 -33.147 -6.557 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 14.614 -32.032 -5.820 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 16.880 -48.513 14.578 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 17.230 -49.167 13.972 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 17.027 -47.676 14.138 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 16.221 -45.786 26.391 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 16.270 -45.176 27.127 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 16.647 -45.325 25.668 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 5.233 -38.298 27.492 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 4.493 -37.700 27.595 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 5.947 -37.744 27.176 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 13.340 -45.470 23.512 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 13.125 -46.236 24.044 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 13.996 -44.998 24.025 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 3.641 -36.334 28.279 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.635 -35.455 27.901 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 2.787 -36.417 28.704 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 13.687 -46.755 27.191 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 12.951 -46.144 27.153 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 14.371 -46.340 26.665 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 14.484 -36.793 29.385 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 14.624 -37.384 28.646 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 14.652 -35.920 29.029 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 16.326 -40.453 27.451 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 15.674 -39.758 27.540 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 16.791 -40.243 26.641 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 12.260 -41.447 29.177 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 12.340 -40.684 29.749 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 11.659 -41.168 28.486 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 10.684 -34.719 26.359 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 10.443 -34.057 27.007 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 10.486 -35.553 26.784 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 5.255 -35.823 30.342 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 4.943 -35.041 30.798 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 4.605 -35.976 29.656 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 2.175 -39.625 29.571 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 2.245 -38.974 30.269 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 1.284 -39.522 29.236 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 3.494 -33.751 31.106 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 3.502 -33.887 30.158 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 2.578 -33.869 31.358 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 14.932 -48.709 17.607 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 14.033 -48.570 17.902 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 15.184 -47.878 17.205 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 17.039 -34.112 30.962 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 16.990 -35.067 30.925 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 16.213 -33.844 31.364 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 8.018 -34.538 29.838 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 8.105 -33.712 30.313 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 7.154 -34.868 30.087 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 1.340 -36.235 29.439 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 1.557 -36.596 30.299 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 0.485 -36.609 29.229 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 8.622 -48.043 28.809 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 9.042 -48.458 29.562 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 7.689 -48.221 28.926 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 11.948 -44.287 29.663 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 11.434 -44.413 30.460 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 11.793 -43.375 29.418 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 9.851 -41.078 27.744 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 10.175 -41.709 27.101 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 9.411 -41.613 28.405 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 11.034 -45.916 25.792 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 10.357 -45.785 26.456 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 10.548 -46.071 24.982 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 1.919 -37.770 31.677 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 2.652 -37.516 32.238 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 1.139 -37.566 32.192 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 6.575 -43.975 26.829 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 5.740 -43.521 26.939 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 7.099 -43.699 27.581 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 14.269 -38.629 27.300 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 14.911 -38.172 26.757 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 13.439 -38.516 26.838 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 8.639 -37.578 29.751 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 8.293 -37.959 30.557 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 8.439 -36.644 29.822 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -0.748 -40.006 29.598 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 -0.525 -40.424 30.430 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 -1.350 -40.619 29.176 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 6.269 -40.489 31.811 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 5.973 -40.655 30.916 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 7.200 -40.709 31.801 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 10.889 -35.116 29.701 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 9.988 -34.933 29.433 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 10.923 -34.857 30.622 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 16.584 -37.071 30.905 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 15.732 -36.833 30.538 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 17.174 -37.088 30.152 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 6.561 -33.137 27.579 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 6.924 -32.282 27.346 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 7.093 -33.429 28.320 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 10.105 -37.038 27.280 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 9.679 -37.265 28.106 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 10.686 -37.776 27.097 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 12.764 -32.486 29.749 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 12.162 -33.041 29.254 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 13.045 -31.819 29.123 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 9.621 -45.512 28.046 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 10.319 -45.438 28.696 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 9.240 -46.376 28.201 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 8.141 -43.146 29.163 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 8.260 -42.572 29.920 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 8.796 -43.834 29.278 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -0.252 -31.561 31.944 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 0.288 -31.778 32.703 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -0.733 -32.367 31.754 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -0.345 -37.751 32.898 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -0.201 -38.653 32.612 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -1.118 -37.465 32.410 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 12.045 -37.865 29.714 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 12.790 -37.277 29.594 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 11.288 -37.283 29.777 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 0.487 -40.551 32.318 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 0.895 -41.408 32.197 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 0.227 -40.536 33.239 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 4.434 -41.542 29.692 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 3.816 -40.867 29.973 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 4.778 -41.221 28.859 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 4.774 -44.187 30.775 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 4.924 -44.916 30.172 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 4.776 -43.410 30.216 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 5.186 -45.817 28.267 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 5.722 -45.366 27.615 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 4.334 -45.925 27.845 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 6.768 -40.378 28.507 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 7.519 -40.534 27.934 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 6.429 -39.526 28.231 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 3.252 -42.989 32.686 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 2.485 -43.521 32.476 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 3.931 -43.299 32.087 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 5.992 -48.361 28.699 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 5.894 -47.414 28.593 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 5.249 -48.733 28.223 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 1.433 -45.068 32.391 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 1.644 -45.775 31.780 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 1.321 -45.506 33.235 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 16.313 -32.015 28.867 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 15.826 -32.750 28.496 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 16.862 -32.408 29.545 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 14.705 -34.252 28.098 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 14.057 -33.927 28.723 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 14.187 -34.692 27.423 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 14.568 -43.230 25.304 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 15.501 -43.018 25.270 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 14.333 -43.128 26.227 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 14.597 -42.493 28.080 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 13.754 -42.225 28.446 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 15.040 -41.671 27.869 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 -1.121 -44.045 31.557 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 -0.202 -44.167 31.793 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 -1.571 -44.795 31.946 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 14.570 -46.548 19.917 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 14.752 -46.997 20.742 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 13.970 -47.133 19.453 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 -1.319 -47.738 27.916 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 -1.984 -47.984 28.559 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 -1.762 -47.116 27.339 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 0.873 -34.563 32.060 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 0.052 -34.388 31.600 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 0.621 -34.636 32.981 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 3.827 -33.588 28.319 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 3.402 -32.779 28.036 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 4.732 -33.503 28.017 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 10.483 -30.904 30.522 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 11.160 -31.536 30.282 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 10.805 -30.502 31.330 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 10.734 -31.966 27.517 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 9.830 -31.801 27.251 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 11.163 -31.113 27.451 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 13.339 -30.396 27.812 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 13.157 -29.480 27.601 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 13.515 -30.806 26.965 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 13.973 -48.758 24.037 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 14.577 -48.210 23.536 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 13.104 -48.438 23.797 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 15.700 -47.619 22.371 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 16.312 -48.133 21.844 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 16.083 -46.741 22.394 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 11.294 -48.274 23.209 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 11.370 -48.179 22.260 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 11.018 -49.182 23.338 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 1.115 -47.717 31.264 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 0.749 -48.482 31.707 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 2.028 -47.688 31.551 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 14.686 -32.961 31.675 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 13.904 -33.147 31.155 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 14.614 -32.032 31.892 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 1.537 -21.349 -29.851 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 1.579 -21.975 -29.127 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 2.240 -20.726 -29.669 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 -0.219 -21.077 -33.797 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 -0.005 -21.847 -33.270 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 0.519 -20.988 -34.400 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 7.558 -18.531 -31.038 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 7.862 -19.217 -31.632 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 8.280 -18.413 -30.420 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 5.233 -19.442 -29.076 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 4.493 -18.844 -28.973 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 5.947 -18.888 -29.392 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 -0.238 -17.807 -37.507 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 -0.510 -17.578 -38.396 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 -0.193 -16.969 -37.047 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 4.008 -20.135 -34.576 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 3.678 -20.505 -35.395 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 4.596 -20.805 -34.230 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 5.375 -16.707 -31.895 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 5.280 -17.285 -32.652 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 6.104 -17.078 -31.399 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 4.375 -21.366 -30.943 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 4.940 -21.245 -31.706 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 4.694 -20.729 -30.304 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 8.018 -15.682 -26.730 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 8.105 -14.856 -26.255 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 7.154 -16.012 -26.481 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 2.086 -13.121 -35.143 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 2.238 -13.469 -34.264 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 1.235 -13.477 -35.398 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 4.050 -23.943 -30.038 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 3.408 -23.984 -29.329 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 4.087 -23.017 -30.276 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 8.685 -23.131 -24.821 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 8.122 -23.835 -24.501 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 9.511 -23.251 -24.354 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 1.800 -23.623 -28.171 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 1.762 -23.223 -27.303 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 1.309 -24.440 -28.081 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 14.321 -11.388 -24.499 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 14.521 -10.964 -25.334 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 14.977 -11.045 -23.892 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 8.639 -18.722 -26.817 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 8.293 -19.103 -26.011 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 8.439 -17.788 -26.746 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 2.244 -19.611 -32.285 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 2.989 -19.613 -32.886 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 2.322 -20.435 -31.803 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 -0.748 -21.150 -26.970 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 -0.525 -21.568 -26.138 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 -1.350 -21.763 -27.392 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 6.269 -21.633 -24.757 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 5.973 -21.799 -25.652 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 7.200 -21.853 -24.767 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 10.889 -16.260 -26.867 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.988 -16.077 -27.135 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 10.923 -16.001 -25.946 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 4.619 -16.093 -34.880 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 5.146 -15.320 -35.081 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 3.739 -15.868 -35.182 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 6.561 -14.281 -28.989 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 6.924 -13.426 -29.222 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 7.093 -14.573 -28.248 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 12.764 -13.630 -26.819 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 12.162 -14.185 -27.314 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 13.045 -12.963 -27.445 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 0.459 -15.318 -35.954 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 -0.373 -14.845 -35.927 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 1.005 -14.808 -36.553 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 10.922 -15.406 -24.275 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 10.571 -16.262 -24.032 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 11.648 -15.263 -23.668 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 12.045 -19.009 -26.854 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 12.790 -18.421 -26.974 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 11.288 -18.427 -26.791 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 4.434 -22.686 -26.876 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 3.816 -22.011 -26.595 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 4.778 -22.365 -27.709 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 9.454 -20.215 -23.598 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 10.407 -20.131 -23.626 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 9.294 -20.926 -22.979 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 6.768 -21.522 -28.061 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 7.519 -21.678 -28.634 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 6.429 -20.670 -28.337 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 12.500 -20.918 -24.955 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 12.219 -20.209 -25.533 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 13.443 -20.991 -25.106 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 3.252 -24.133 -23.882 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 2.485 -24.665 -24.092 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 3.931 -24.443 -24.481 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 1.433 -26.212 -24.177 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 1.644 -26.919 -24.788 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 1.321 -26.650 -23.333 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 -1.669 -11.616 -35.408 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 -2.316 -12.078 -35.941 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 -1.314 -12.288 -34.825 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 -0.799 -13.535 -33.603 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 -1.133 -14.416 -33.431 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 -0.577 -13.190 -32.739 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 14.764 -17.369 -23.063 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 13.898 -17.474 -22.669 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 15.140 -16.610 -22.616 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 -0.719 -20.460 -31.152 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 -0.535 -20.542 -32.087 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 0.130 -20.584 -30.728 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 -1.121 -25.189 -25.011 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 -0.202 -25.311 -24.775 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 -1.571 -25.939 -24.622 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 -1.596 -23.878 -31.051 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 -1.104 -24.099 -31.841 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 -1.234 -23.037 -30.770 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 8.138 -13.333 -25.290 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 8.323 -13.667 -24.412 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 8.985 -13.024 -25.612 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 10.483 -12.048 -26.046 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 11.160 -12.680 -26.286 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 10.805 -11.646 -25.238 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 1.229 -11.476 -28.202 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 0.509 -11.036 -28.653 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 0.863 -11.727 -27.353 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 3.696 -11.876 -29.172 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 2.831 -11.804 -28.768 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 3.641 -11.329 -29.956 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 8.407 -11.988 -29.996 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 7.950 -11.459 -30.650 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 8.570 -11.385 -29.271 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 2.785 -14.143 -32.636 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 2.566 -15.059 -32.467 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 3.609 -14.003 -32.170 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 5.322 -13.673 -31.788 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 5.535 -14.561 -32.075 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 5.387 -13.707 -30.833 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 11.510 -30.178 -23.586 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 11.586 -30.604 -22.732 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 12.403 -30.164 -23.928 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 14.686 -14.105 -24.893 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 13.904 -14.291 -25.413 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 14.614 -13.176 -24.676 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 -0.929 -23.239 -17.067 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 -1.377 -22.393 -17.085 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 -1.490 -23.819 -17.582 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -0.219 -21.077 -14.941 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -0.005 -21.847 -14.414 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 0.519 -20.988 -15.544 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 16.221 -26.930 -11.321 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 16.270 -26.320 -10.585 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 16.647 -26.469 -12.044 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 0.474 -23.639 -13.820 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 1.128 -24.189 -13.388 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 0.498 -23.913 -14.736 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 11.639 -14.404 -15.313 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 12.064 -15.111 -15.798 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 11.956 -13.603 -15.730 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 12.798 -16.503 -16.804 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 12.541 -17.193 -17.416 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 12.869 -16.946 -15.959 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 9.011 -22.517 -21.516 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 9.712 -22.495 -20.865 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 9.313 -23.145 -22.172 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.326 -21.597 -10.261 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 15.674 -20.902 -10.172 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 16.791 -21.387 -11.071 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 12.363 -20.765 -17.603 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 11.631 -20.537 -17.030 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 12.810 -21.479 -17.148 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 11.234 -21.603 -19.918 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 11.813 -21.453 -19.171 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 11.648 -21.132 -20.641 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 3.494 -14.895 -6.606 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 3.502 -15.031 -7.554 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 2.578 -15.013 -6.354 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 14.932 -29.853 -20.105 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 14.033 -29.714 -19.810 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 15.184 -29.022 -20.507 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 16.122 -15.487 -21.728 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 16.195 -14.548 -21.558 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 17.027 -15.792 -21.785 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 -1.158 -15.922 -12.432 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 -0.212 -16.066 -12.451 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 -1.271 -15.138 -11.895 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 17.039 -15.256 -6.750 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 16.990 -16.211 -6.787 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 16.213 -14.988 -6.348 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 8.018 -15.682 -7.874 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 8.105 -14.856 -7.399 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 7.154 -16.012 -7.625 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 8.432 -11.910 -18.068 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 8.357 -12.031 -19.014 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 8.465 -10.960 -17.949 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 12.711 -20.570 -22.288 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 12.753 -20.793 -23.218 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 13.560 -20.172 -22.098 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 8.284 -26.694 -21.618 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 8.030 -26.675 -20.695 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 8.027 -27.566 -21.919 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 9.583 -23.306 -17.453 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 9.174 -22.491 -17.745 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 10.303 -23.446 -18.068 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 10.587 -23.860 -14.639 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 10.392 -23.255 -15.354 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 10.769 -24.694 -15.074 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -1.592 -26.507 -15.465 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -0.961 -26.536 -14.745 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -1.142 -26.932 -16.195 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 -0.317 -25.761 -20.041 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 0.157 -25.170 -20.626 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 -1.035 -25.230 -19.694 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 6.629 -26.295 -15.184 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 5.718 -26.238 -14.895 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 7.134 -26.355 -14.373 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 1.457 -24.666 -16.357 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 0.568 -24.566 -16.697 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 1.753 -25.508 -16.703 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 5.110 -24.666 -18.701 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 6.042 -24.537 -18.523 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 4.895 -23.996 -19.350 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 3.784 -23.471 -21.134 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 3.242 -23.851 -21.825 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 4.618 -23.277 -21.563 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 14.321 -11.388 -5.643 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 14.521 -10.964 -6.478 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 14.977 -11.045 -5.036 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 2.951 -27.371 -16.879 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 2.634 -28.273 -16.914 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 3.732 -27.369 -17.431 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 11.017 -26.092 -20.999 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 10.079 -25.980 -21.150 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 11.314 -25.235 -20.693 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 11.735 -24.225 -19.338 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 12.627 -24.362 -19.019 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 11.792 -23.434 -19.875 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 16.584 -18.215 -6.807 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 15.732 -17.977 -7.174 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 17.174 -18.232 -7.560 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 14.916 -15.229 -19.179 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 14.543 -16.055 -18.869 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 15.193 -15.412 -20.076 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 12.764 -13.630 -7.963 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 12.162 -14.185 -8.458 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 13.045 -12.963 -8.589 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 16.812 -12.773 -21.157 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 17.555 -12.187 -21.297 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 16.117 -12.205 -20.824 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 13.174 -18.580 -19.132 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 12.897 -19.308 -18.576 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 14.101 -18.461 -18.926 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 10.405 -27.004 -18.569 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 10.625 -26.532 -19.372 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 10.963 -26.609 -17.898 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 7.605 -25.276 -17.734 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 8.417 -24.772 -17.688 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 7.360 -25.421 -16.820 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 4.146 -27.132 -20.108 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 4.063 -26.243 -19.762 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 5.036 -27.397 -19.877 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 0.721 -24.040 -21.932 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 0.676 -23.101 -21.753 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 -0.167 -24.276 -22.202 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 -0.252 -12.705 -5.768 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 0.288 -12.922 -5.009 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 -0.733 -13.511 -5.958 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 4.345 -13.786 -4.148 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 5.113 -14.245 -3.807 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 4.324 -14.012 -5.078 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 10.922 -15.406 -5.419 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 10.571 -16.262 -5.176 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 11.648 -15.263 -4.812 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 13.041 -14.461 -22.539 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 13.324 -15.255 -22.086 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 13.781 -14.228 -23.100 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 -0.345 -18.895 -4.814 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 -0.201 -19.797 -5.100 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -1.118 -18.609 -5.302 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 6.310 -18.925 -5.381 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 5.982 -18.654 -6.239 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 6.462 -19.866 -5.469 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 0.487 -21.695 -5.394 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 0.895 -22.552 -5.515 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 0.227 -21.680 -4.473 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 6.216 -22.336 -22.113 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 6.036 -22.490 -23.041 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 7.167 -22.228 -22.069 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 15.606 -19.981 -22.668 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 15.333 -20.406 -23.481 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 15.646 -19.050 -22.885 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 16.750 -12.726 -11.767 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 16.728 -12.541 -10.828 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 17.440 -12.157 -12.108 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 16.313 -13.159 -8.845 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 15.826 -13.894 -9.216 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 16.862 -13.552 -8.167 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 14.764 -17.369 -4.207 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 13.898 -17.474 -3.813 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 15.140 -16.610 -3.760 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 16.065 -19.112 -18.693 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 16.915 -18.691 -18.565 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 16.070 -19.852 -18.085 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 16.459 -21.059 -16.869 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 15.733 -21.538 -16.471 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 17.040 -20.853 -16.137 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 14.246 -22.538 -16.306 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 14.096 -23.483 -16.326 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 13.892 -22.257 -15.462 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 -0.719 -20.460 -12.296 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 -0.535 -20.542 -13.231 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 0.130 -20.584 -11.872 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 13.956 -24.955 -17.844 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 14.236 -25.862 -17.719 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 14.715 -24.521 -18.233 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 -1.121 -25.189 -6.155 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 -0.202 -25.311 -5.919 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 -1.571 -25.939 -5.766 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 16.880 -29.657 -4.278 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 17.230 -30.311 -4.884 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 17.027 -28.820 -4.718 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 14.570 -27.692 -17.795 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 14.752 -28.141 -16.970 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 13.970 -28.277 -18.259 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 -1.596 -23.878 -12.195 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 -1.104 -24.099 -12.985 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 -1.234 -23.037 -11.914 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 16.400 -27.548 -5.929 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 15.483 -27.277 -5.965 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 16.523 -28.083 -6.713 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 -1.283 -27.620 -18.140 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 -2.208 -27.411 -18.270 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 -0.829 -27.136 -18.830 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 13.488 -12.636 -16.195 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 14.141 -12.983 -16.803 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 13.999 -12.147 -15.549 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.873 -15.707 -5.652 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 0.052 -15.532 -6.112 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 0.621 -15.780 -4.731 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 8.138 -13.333 -6.434 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 8.323 -13.667 -5.556 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 8.985 -13.024 -6.756 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 10.483 -12.048 -7.190 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 11.160 -12.680 -7.430 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 10.805 -11.646 -6.382 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 15.401 -29.458 -8.110 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 14.588 -29.133 -8.498 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 15.634 -30.218 -8.643 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 1.229 -11.476 -9.346 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 0.509 -11.036 -9.797 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 0.863 -11.727 -8.497 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 8.407 -11.988 -11.140 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 7.950 -11.459 -11.794 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 8.570 -11.385 -10.415 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 13.339 -11.540 -9.900 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 13.157 -10.624 -10.111 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 13.515 -11.950 -10.747 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 15.700 -28.763 -15.341 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 16.312 -29.277 -15.868 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 16.083 -27.885 -15.318 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 1.157 -29.375 -15.965 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 0.380 -29.609 -16.473 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 1.688 -30.172 -15.957 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 -0.006 -29.577 -20.162 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 0.433 -28.966 -20.753 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 -0.640 -29.039 -19.688 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 12.647 -29.392 -18.810 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 11.944 -28.778 -19.020 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 12.202 -30.230 -18.679 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 6.881 -27.368 -19.262 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 7.059 -28.014 -18.579 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 6.827 -26.534 -18.795 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 15.468 -12.856 -18.187 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 15.274 -13.604 -18.752 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 15.429 -12.098 -18.771 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 1.115 -28.861 -6.448 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 0.749 -29.626 -6.005 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 2.028 -28.832 -6.161 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 14.686 -14.105 -6.037 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 13.904 -14.291 -6.557 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 14.614 -13.176 -5.820 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 10.236 -20.219 2.849 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 10.325 -19.275 2.717 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 9.597 -20.494 2.191 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 2.461 -16.899 6.396 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 2.091 -17.701 6.027 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 3.402 -17.068 6.443 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 -0.929 -23.239 1.789 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 -1.377 -22.393 1.771 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 -1.490 -23.819 1.274 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 -0.219 -21.077 3.915 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 -0.005 -21.847 4.442 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 0.519 -20.988 3.312 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 9.986 -12.920 4.782 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 10.606 -13.597 4.509 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 9.778 -13.138 5.690 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 0.474 -23.639 5.036 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 1.128 -24.189 5.468 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 0.498 -23.913 4.120 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 10.033 -17.618 1.892 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 9.737 -17.940 1.041 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 9.709 -16.718 1.934 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 11.639 -14.404 3.543 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 12.064 -15.111 3.058 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 11.956 -13.603 3.126 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 12.798 -16.503 2.052 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 12.541 -17.193 1.440 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 12.869 -16.946 2.897 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 14.484 -17.937 10.529 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 14.624 -18.528 9.790 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 14.652 -17.064 10.173 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 8.957 -20.975 0.301 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 8.245 -20.440 -0.050 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 9.648 -20.919 -0.359 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 12.363 -20.765 1.253 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 11.631 -20.537 1.826 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 12.810 -21.479 1.708 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 4.008 -20.135 3.136 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 3.678 -20.505 2.317 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 4.596 -20.805 3.482 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 10.684 -15.863 7.503 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 10.443 -15.201 8.151 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 10.486 -16.697 7.928 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 11.234 -21.603 -1.062 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 11.813 -21.453 -0.315 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 11.648 -21.132 -1.785 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 8.960 -14.866 2.373 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 9.434 -14.571 3.151 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 8.397 -14.128 2.140 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 3.494 -14.895 12.250 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 3.502 -15.031 11.302 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 2.578 -15.013 12.502 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 2.998 -21.065 0.725 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 2.706 -20.297 0.234 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 2.324 -21.725 0.562 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 -0.909 -18.702 9.540 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 -1.410 -18.730 8.725 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 -0.903 -19.608 9.850 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 8.018 -15.682 10.982 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 8.105 -14.856 11.457 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 7.154 -16.012 11.231 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 1.340 -17.379 10.583 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 1.557 -17.740 11.443 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 0.485 -17.753 10.373 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 12.711 -20.570 -3.432 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 12.753 -20.793 -4.362 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 13.560 -20.172 -3.242 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 4.047 -23.722 2.586 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 3.154 -24.063 2.527 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 4.498 -24.099 1.830 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 -1.592 -26.507 3.391 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -0.961 -26.536 4.111 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 -1.142 -26.932 2.661 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 -0.317 -25.761 -1.185 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 0.157 -25.170 -1.770 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 -1.035 -25.230 -0.838 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 1.457 -24.666 2.499 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 0.568 -24.566 2.159 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 1.753 -25.508 2.153 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 5.110 -24.666 0.155 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 6.042 -24.537 0.333 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 4.895 -23.996 -0.494 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 3.784 -23.471 -2.278 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 3.242 -23.851 -2.969 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 4.618 -23.277 -2.707 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 1.919 -18.914 12.821 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 2.652 -18.660 13.382 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 1.139 -18.710 13.336 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 2.951 -27.371 1.977 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 2.634 -28.273 1.942 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 3.732 -27.369 1.425 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 7.119 -18.906 -0.342 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 6.375 -19.413 -0.665 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 6.985 -18.857 0.604 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 2.244 -19.611 5.427 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 2.989 -19.613 4.826 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 2.322 -20.435 5.909 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 9.245 -17.447 -1.317 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 8.950 -16.621 -0.935 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 8.542 -18.067 -1.121 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -0.748 -21.150 10.742 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -0.525 -21.568 11.574 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -1.350 -21.763 10.320 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 10.889 -16.260 10.845 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 9.988 -16.077 10.577 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 10.923 -16.001 11.766 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 16.620 -24.015 -0.788 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 16.066 -24.411 -1.460 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 16.721 -23.105 -1.065 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 16.584 -18.215 12.049 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 15.732 -17.977 11.682 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 17.174 -18.232 11.296 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 14.916 -15.229 -0.323 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 14.543 -16.055 -0.013 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 15.193 -15.412 -1.220 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 4.619 -16.093 2.832 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 5.146 -15.320 2.631 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 3.739 -15.868 2.530 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 0.374 -21.231 -2.581 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 0.990 -20.604 -2.202 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 -0.488 -20.915 -2.310 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 6.046 -18.430 2.408 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 5.805 -17.505 2.450 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 5.306 -18.889 2.804 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 6.561 -14.281 8.723 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 6.924 -13.426 8.490 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 7.093 -14.573 9.464 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 12.308 -17.253 -2.502 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 12.661 -17.633 -1.698 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 11.359 -17.346 -2.416 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 12.764 -13.630 10.893 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 12.162 -14.185 10.398 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 13.045 -12.963 10.267 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 13.174 -18.580 -0.276 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 12.897 -19.308 0.280 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 14.101 -18.461 -0.070 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 0.537 -14.592 8.735 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 0.754 -15.524 8.704 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 0.784 -14.318 9.619 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 6.399 -16.141 -4.055 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 6.638 -16.889 -4.603 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 6.130 -16.529 -3.223 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 5.336 -16.571 -1.599 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 5.483 -17.091 -0.809 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 5.333 -15.664 -1.293 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 1.789 -19.318 -1.089 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 1.103 -18.966 -0.522 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 2.312 -18.555 -1.335 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 2.405 -16.704 -2.192 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 2.997 -16.005 -1.916 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 2.864 -17.137 -2.911 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 0.721 -24.040 -3.076 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 0.676 -23.101 -2.897 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 -0.167 -24.276 -3.346 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 14.034 -13.376 6.860 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 13.878 -12.698 6.203 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 14.966 -13.304 7.063 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 -0.252 -12.705 13.088 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 0.288 -12.922 13.847 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 -0.733 -13.511 12.898 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 4.345 -13.786 14.708 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 5.113 -14.245 15.049 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 4.324 -14.012 13.778 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 13.041 -14.461 -3.683 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 13.324 -15.255 -3.230 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 13.781 -14.228 -4.244 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 -0.345 -18.895 14.042 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 -0.201 -19.797 13.756 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 -1.118 -18.609 13.554 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 3.996 -18.551 -3.826 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 4.060 -19.345 -3.295 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 4.649 -18.670 -4.515 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 6.310 -18.925 13.475 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 5.982 -18.654 12.617 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 6.462 -19.866 13.387 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 9.348 -17.504 -4.090 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 9.080 -17.324 -3.189 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 9.142 -18.430 -4.221 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 12.045 -19.009 10.858 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 12.790 -18.421 10.738 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 11.288 -18.427 10.921 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 0.487 -21.695 13.462 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 0.895 -22.552 13.341 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 0.227 -21.680 14.383 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 5.145 -20.579 -1.520 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 4.686 -21.063 -0.834 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 5.400 -21.247 -2.156 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 9.454 -20.215 14.114 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 10.407 -20.131 14.086 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 9.294 -20.926 14.733 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 15.606 -19.981 -3.812 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 15.333 -20.406 -4.625 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 15.646 -19.050 -4.029 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 12.500 -20.918 12.757 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 12.219 -20.209 12.179 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 13.443 -20.991 12.606 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 -0.318 -17.009 -2.773 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 0.596 -16.930 -2.500 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 -0.311 -17.696 -3.440 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 16.750 -12.726 7.089 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 16.728 -12.541 8.028 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 17.440 -12.157 6.748 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 14.764 -17.369 14.649 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 13.898 -17.474 15.043 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 15.140 -16.610 15.096 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 16.065 -19.112 0.163 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 16.915 -18.691 0.291 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 16.070 -19.852 0.771 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 16.459 -21.059 1.987 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 15.733 -21.538 2.385 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 17.040 -20.853 2.719 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 14.705 -15.396 9.242 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 14.057 -15.071 9.867 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 14.187 -15.836 8.567 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 16.727 -21.158 -1.622 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 16.206 -20.801 -2.341 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 16.694 -20.483 -0.944 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 -0.719 -20.460 6.560 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 -0.535 -20.542 5.625 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 0.130 -20.584 6.984 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 15.102 -20.568 12.189 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 15.685 -21.302 12.380 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 15.666 -19.796 12.235 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 -1.596 -23.878 6.661 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 -1.104 -24.099 5.871 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 -1.234 -23.037 6.942 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 16.436 -27.625 -2.411 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 16.849 -28.346 -2.887 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 17.118 -26.955 -2.353 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 -1.283 -27.620 0.716 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 -2.208 -27.411 0.586 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 -0.829 -27.136 0.026 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 13.488 -12.636 2.661 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 14.141 -12.983 2.053 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 13.999 -12.147 3.307 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 0.873 -15.707 13.204 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 0.052 -15.532 12.744 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 0.621 -15.780 14.125 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 3.827 -14.732 9.463 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 3.402 -13.923 9.180 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 4.732 -14.647 9.161 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 8.138 -13.333 12.422 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 8.323 -13.667 13.300 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 8.985 -13.024 12.100 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 1.229 -11.476 9.510 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 0.509 -11.036 9.059 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 0.863 -11.727 10.359 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 8.407 -11.988 7.716 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 7.950 -11.459 7.062 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 8.570 -11.385 8.441 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 10.734 -13.110 8.661 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 9.830 -12.945 8.395 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 11.163 -12.257 8.595 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 2.785 -14.143 5.076 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 2.566 -15.059 5.245 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 3.609 -14.003 5.542 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 5.322 -13.673 5.924 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 5.535 -14.561 5.637 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 5.387 -13.707 6.879 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 -0.006 -29.577 -1.306 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 0.433 -28.966 -1.897 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 -0.640 -29.039 -0.832 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 1.855 -27.661 -2.863 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 2.346 -28.291 -3.391 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 2.478 -27.365 -2.200 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 10.236 -20.219 21.705 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 10.325 -19.275 21.573 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 9.597 -20.494 21.047 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 9.169 -20.964 25.124 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 9.131 -21.610 25.829 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 8.846 -21.430 24.353 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 9.986 -12.920 23.638 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 10.606 -13.597 23.365 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 9.778 -13.138 24.546 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 7.558 -18.531 25.530 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 7.862 -19.217 24.936 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 8.280 -18.413 26.148 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 10.699 -24.137 25.858 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 10.842 -25.084 25.878 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 10.593 -23.930 24.929 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 10.033 -17.618 20.748 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 9.737 -17.940 19.897 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 9.709 -16.718 20.790 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 5.233 -19.442 27.492 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 4.493 -18.844 27.595 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 5.947 -18.888 27.176 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 13.340 -26.614 23.512 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 13.125 -27.380 24.044 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 13.996 -26.142 24.025 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 3.641 -17.478 28.279 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 3.635 -16.599 27.901 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 2.787 -17.561 28.704 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 13.687 -27.899 27.191 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 12.951 -27.288 27.153 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 14.371 -27.484 26.665 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 11.639 -14.404 22.399 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 12.064 -15.111 21.914 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 11.956 -13.603 21.982 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 8.957 -20.975 19.157 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 8.245 -20.440 18.806 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 9.648 -20.919 18.497 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 9.011 -22.517 16.196 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 9.712 -22.495 16.847 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 9.313 -23.145 15.540 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 12.363 -20.765 20.109 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 11.631 -20.537 20.682 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 12.810 -21.479 20.564 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 12.260 -22.591 29.177 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 12.340 -21.828 29.749 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 11.659 -22.312 28.486 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 5.255 -16.967 30.342 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 4.943 -16.185 30.798 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 4.605 -17.120 29.656 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 2.175 -20.769 29.571 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 2.245 -20.118 30.269 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 1.284 -20.666 29.236 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 8.960 -14.866 21.229 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 9.434 -14.571 22.007 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 8.397 -14.128 20.996 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 3.494 -14.895 31.106 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 3.502 -15.031 30.158 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 2.578 -15.013 31.358 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 8.432 -11.910 19.644 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 8.357 -12.031 18.698 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 8.465 -10.960 19.763 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 11.203 -12.830 19.396 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 10.268 -12.730 19.575 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 11.483 -13.539 19.974 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 8.622 -29.187 28.809 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 9.042 -29.602 29.562 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 7.689 -29.365 28.926 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 11.948 -25.431 29.663 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 11.434 -25.557 30.460 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 11.793 -24.519 29.418 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 9.583 -23.306 20.259 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 9.174 -22.491 19.967 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 10.303 -23.446 19.644 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 8.685 -23.131 31.747 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 8.122 -23.835 32.067 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 9.511 -23.251 32.214 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 10.587 -23.860 23.073 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 10.392 -23.255 22.358 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 10.769 -24.694 22.638 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 1.800 -23.623 28.397 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 1.762 -23.223 29.265 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 1.309 -24.440 28.487 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 9.851 -22.222 27.744 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 10.175 -22.853 27.101 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 9.411 -22.757 28.405 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 11.034 -27.060 25.792 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 10.357 -26.929 26.456 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 10.548 -27.215 24.982 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 1.919 -18.914 31.677 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 2.652 -18.660 32.238 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 1.139 -18.710 32.192 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 7.119 -18.906 18.514 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 6.375 -19.413 18.191 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 6.985 -18.857 19.460 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 8.639 -18.722 29.751 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 8.293 -19.103 30.557 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 8.439 -17.788 29.822 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 9.245 -17.447 17.539 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 8.950 -16.621 17.921 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 8.542 -18.067 17.735 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 6.269 -21.633 31.811 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 5.973 -21.799 30.916 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 7.200 -21.853 31.801 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 12.076 -20.421 25.555 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 11.148 -20.653 25.528 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 12.527 -21.198 25.225 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 0.374 -21.231 16.275 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 0.990 -20.604 16.654 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 -0.488 -20.915 16.546 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 6.561 -14.281 27.579 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 6.924 -13.426 27.346 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 7.093 -14.573 28.320 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 10.105 -18.182 27.280 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 9.679 -18.409 28.106 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 10.686 -18.920 27.097 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 12.308 -17.253 16.354 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 12.661 -17.633 17.158 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 11.359 -17.346 16.440 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 13.174 -18.580 18.580 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 12.897 -19.308 19.136 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 14.101 -18.461 18.786 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 6.399 -16.141 14.801 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 6.638 -16.889 14.253 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 6.130 -16.529 15.633 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 5.336 -16.571 17.257 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 5.483 -17.091 18.047 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 5.333 -15.664 17.563 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 9.621 -26.656 28.046 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 10.319 -26.582 28.696 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 9.240 -27.520 28.201 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 8.074 -14.873 18.006 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 7.257 -14.376 18.059 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 8.603 -14.398 17.366 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 12.947 -22.632 24.094 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 12.150 -23.047 23.765 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 13.392 -23.323 24.585 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 2.405 -16.704 16.664 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 2.997 -16.005 16.940 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 2.864 -17.137 15.945 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 -0.252 -12.705 31.944 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 0.288 -12.922 32.703 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 -0.733 -13.511 31.754 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 8.437 -14.278 14.939 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 7.793 -14.909 15.261 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 9.199 -14.809 14.707 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 -0.345 -18.895 32.898 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 -0.201 -19.797 32.612 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 -1.118 -18.609 32.410 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 3.996 -18.551 15.030 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 4.060 -19.345 15.561 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 4.649 -18.670 14.341 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 9.348 -17.504 14.766 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 9.080 -17.324 15.667 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 9.142 -18.430 14.635 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 0.487 -21.695 32.318 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 0.895 -22.552 32.197 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 0.227 -21.680 33.239 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 5.145 -20.579 17.336 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 4.686 -21.063 18.022 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 5.400 -21.247 16.700 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 4.434 -22.686 29.692 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 3.816 -22.011 29.973 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 4.778 -22.365 28.859 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 6.216 -22.336 15.599 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 6.036 -22.490 14.671 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 7.167 -22.228 15.643 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 15.606 -19.981 15.044 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 15.333 -20.406 14.231 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 15.646 -19.050 14.827 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 4.774 -25.331 30.775 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 4.924 -26.060 30.172 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 4.776 -24.554 30.216 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 3.252 -24.133 32.686 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 2.485 -24.665 32.476 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 3.931 -24.443 32.087 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 5.992 -29.505 28.699 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 5.894 -28.558 28.593 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 5.249 -29.877 28.223 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 7.256 -25.183 32.262 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 7.020 -25.403 33.164 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 6.473 -25.390 31.753 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 9.972 -26.056 31.338 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 9.024 -26.024 31.470 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 10.284 -26.681 31.992 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 1.433 -26.212 32.391 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 1.644 -26.919 31.780 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 1.321 -26.650 33.235 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 6.214 -30.211 31.370 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 6.926 -30.851 31.356 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 6.113 -29.944 30.456 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 -0.318 -17.009 16.083 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 0.596 -16.930 16.356 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 -0.311 -17.696 15.416 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 16.065 -19.112 19.019 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 16.915 -18.691 19.147 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 16.070 -19.852 19.627 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 16.459 -21.059 20.843 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 15.733 -21.538 21.241 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 17.040 -20.853 21.575 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 16.727 -21.158 17.234 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 16.206 -20.801 16.515 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 16.694 -20.483 17.912 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 14.246 -22.538 21.406 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 14.096 -23.483 21.386 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 13.892 -22.257 22.250 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 -1.121 -25.189 31.557 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 -0.202 -25.311 31.793 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 -1.571 -25.939 31.946 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 0.873 -15.707 32.060 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 0.052 -15.532 31.600 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 0.621 -15.780 32.981 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 3.827 -14.732 28.319 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 3.402 -13.923 28.036 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 4.732 -14.647 28.017 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 15.401 -29.458 29.602 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 14.588 -29.133 29.214 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 15.634 -30.218 29.069 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 1.229 -11.476 28.366 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 0.509 -11.036 27.915 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 0.863 -11.727 29.215 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 3.696 -11.876 27.396 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 2.831 -11.804 27.800 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 3.641 -11.329 26.612 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 8.407 -11.988 26.572 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 7.950 -11.459 25.918 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 8.570 -11.385 27.297 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 15.700 -28.763 22.371 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 16.312 -29.277 21.844 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 16.083 -27.885 22.394 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 8.759 -12.419 16.845 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 9.625 -12.053 16.667 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 8.512 -12.859 16.032 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 1.115 -28.861 31.264 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 0.749 -29.626 31.707 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 2.028 -28.832 31.551 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 3.088 -29.510 32.800 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 3.987 -29.784 32.615 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 2.702 -30.253 33.264 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 0.374 -21.231 35.131 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 0.990 -20.604 35.510 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 -0.488 -20.915 35.402 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 0.721 -24.040 34.636 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 0.676 -23.101 34.815 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 -0.167 -24.276 34.366 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 -0.318 -17.009 34.939 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 0.596 -16.930 35.212 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 -0.311 -17.696 34.272 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 2.664 -8.262 -29.364 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 2.445 -7.732 -30.130 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 1.996 -8.035 -28.716 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 3.959 -10.053 -31.133 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 3.098 -10.140 -31.541 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 3.937 -9.197 -30.706 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 8.622 -10.331 -27.759 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 9.042 -10.746 -27.006 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 7.689 -10.509 -27.642 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 0.886 -7.541 -27.412 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 -0.007 -7.202 -27.479 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 0.787 -8.396 -26.994 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 1.529 -10.402 -32.115 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 1.300 -10.343 -33.042 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 1.086 -11.194 -31.808 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 4.774 -6.475 -25.793 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 4.924 -7.204 -26.396 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 4.776 -5.698 -26.352 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 5.186 -8.105 -28.301 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 5.722 -7.654 -28.953 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 4.334 -8.213 -28.723 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 3.252 -5.277 -23.882 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 2.485 -5.809 -24.092 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 3.931 -5.587 -24.481 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 5.992 -10.649 -27.869 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 5.894 -9.702 -27.975 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 5.249 -11.021 -28.345 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 7.256 -6.327 -24.306 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 7.020 -6.547 -23.404 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 6.473 -6.534 -24.815 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 11.606 -8.566 -23.225 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 11.509 -9.518 -23.231 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 11.284 -8.297 -22.364 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 6.567 -9.672 -23.144 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 6.436 -10.148 -23.965 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 5.968 -8.928 -23.200 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 -1.121 -6.333 -25.011 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 -0.202 -6.455 -24.775 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 -1.571 -7.083 -24.622 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 0.100 -8.021 -32.120 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 0.545 -8.813 -31.818 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 0.566 -7.305 -31.689 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 -1.319 -10.026 -28.652 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 -1.984 -10.272 -28.009 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 -1.762 -9.404 -29.229 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 1.157 -10.519 -34.821 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 0.380 -10.753 -35.329 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 1.688 -11.316 -34.813 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 11.510 -11.322 -23.586 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 11.586 -11.748 -22.732 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 12.403 -11.308 -23.928 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 3.854 -7.180 -14.582 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 3.897 -6.320 -15.000 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 3.396 -7.732 -15.215 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 2.664 -8.262 -10.508 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 2.445 -7.732 -11.274 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 1.996 -8.035 -9.860 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 2.258 -6.370 -12.555 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 2.871 -5.737 -12.182 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 2.770 -6.842 -13.212 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 13.687 -9.043 -10.521 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 12.951 -8.432 -10.559 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 14.371 -8.628 -11.047 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 14.932 -10.997 -20.105 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 14.033 -10.858 -19.810 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 15.184 -10.166 -20.507 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 8.622 -10.331 -8.903 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 9.042 -10.746 -8.150 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 7.689 -10.509 -8.786 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 8.284 -7.838 -21.618 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 8.030 -7.819 -20.695 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 8.027 -8.710 -21.919 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 5.166 -7.393 -22.517 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 4.735 -7.838 -21.787 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 4.448 -7.021 -23.029 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 -1.592 -7.651 -15.465 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 -0.961 -7.680 -14.745 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 -1.142 -8.076 -16.195 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 -0.317 -6.905 -20.041 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 0.157 -6.314 -20.626 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 -1.035 -6.374 -19.694 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 6.629 -7.439 -15.184 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 5.718 -7.382 -14.895 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 7.134 -7.499 -14.373 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 1.457 -5.810 -16.357 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 0.568 -5.710 -16.697 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 1.753 -6.652 -16.703 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 5.110 -5.810 -18.701 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 6.042 -5.681 -18.523 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 4.895 -5.140 -19.350 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 11.034 -8.204 -11.920 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 10.357 -8.073 -11.256 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 10.548 -8.359 -12.730 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 3.784 -4.615 -21.134 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 3.242 -4.995 -21.825 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 4.618 -4.421 -21.563 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 2.951 -8.515 -16.879 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 2.634 -9.417 -16.914 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 3.732 -8.513 -17.431 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 6.575 -6.263 -10.883 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 5.740 -5.809 -10.773 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 7.099 -5.987 -10.131 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 0.886 -7.541 -8.556 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 -0.007 -7.202 -8.623 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 0.787 -8.396 -8.138 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 10.405 -8.148 -18.569 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 10.625 -7.676 -19.372 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 10.963 -7.753 -17.898 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 8.489 -9.339 -16.796 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 8.142 -8.721 -16.151 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 9.147 -8.838 -17.277 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 4.146 -8.276 -20.108 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 4.063 -7.387 -19.762 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 5.036 -8.541 -19.877 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 0.721 -5.184 -21.932 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 0.676 -4.245 -21.753 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 -0.167 -5.420 -22.202 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 5.186 -8.105 -9.445 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 5.722 -7.654 -10.097 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 4.334 -8.213 -9.867 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 5.992 -10.649 -9.013 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 5.894 -9.702 -9.119 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 5.249 -11.021 -9.489 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 6.214 -11.355 -6.342 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 6.926 -11.995 -6.356 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 6.113 -11.088 -7.256 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 0.100 -8.021 -13.264 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 0.545 -8.813 -12.962 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 0.566 -7.305 -12.833 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 -1.283 -8.764 -18.140 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 -2.208 -8.555 -18.270 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 -0.829 -8.280 -18.830 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 -1.319 -10.026 -9.796 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 -1.984 -10.272 -9.153 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 -1.762 -9.404 -10.373 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 15.401 -10.602 -8.110 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 14.588 -10.277 -8.498 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 15.634 -11.362 -8.643 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 8.831 -9.153 -13.787 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 8.156 -9.782 -13.532 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 9.395 -9.637 -14.390 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 13.973 -11.046 -13.675 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 14.577 -10.498 -14.176 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 13.104 -10.726 -13.915 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 11.294 -10.562 -14.503 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 11.370 -10.467 -15.452 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 11.018 -11.470 -14.374 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 12.647 -10.536 -18.810 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 11.944 -9.922 -19.020 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 12.202 -11.374 -18.679 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 6.881 -8.512 -19.262 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 7.059 -9.158 -18.579 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 6.827 -7.678 -18.795 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 1.115 -10.005 -6.448 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 0.749 -10.770 -6.005 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 2.028 -9.976 -6.161 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 6.269 -2.777 12.955 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 5.973 -2.943 12.060 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 7.200 -2.997 12.945 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 0.886 -7.541 10.300 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 -0.007 -7.202 10.233 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 0.787 -8.396 10.718 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 0.487 -2.839 13.462 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 0.895 -3.696 13.341 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 0.227 -2.824 14.383 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 4.774 -6.475 11.919 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 4.924 -7.204 11.316 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 4.776 -5.698 11.360 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 5.186 -8.105 9.411 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 5.722 -7.654 8.759 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 4.334 -8.213 8.989 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 3.252 -5.277 13.830 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 2.485 -5.809 13.620 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 3.931 -5.587 13.231 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 5.992 -10.649 9.843 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 5.894 -9.702 9.737 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 5.249 -11.021 9.367 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 7.256 -6.327 13.406 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 7.020 -6.547 14.308 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 6.473 -6.534 12.897 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 1.433 -7.356 13.535 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 1.644 -8.063 12.924 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 1.321 -7.794 14.379 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 6.214 -11.355 12.514 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 6.926 -11.995 12.500 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 6.113 -11.088 11.600 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 6.567 -9.672 14.568 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 6.436 -10.148 13.747 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 5.968 -8.928 14.512 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 -1.121 -6.333 12.701 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 -0.202 -6.455 12.937 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 -1.571 -7.083 13.090 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 1.115 -10.005 12.408 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 0.749 -10.770 12.851 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 2.028 -9.976 12.695 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 -0.929 -4.383 20.645 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 -1.377 -3.537 20.627 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 -1.490 -4.963 20.130 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 -0.219 -2.221 22.771 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 -0.005 -2.991 23.298 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 0.519 -2.132 22.168 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 3.854 -7.180 23.130 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 3.897 -6.320 22.712 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 3.396 -7.732 22.497 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 0.474 -4.783 23.892 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 1.128 -5.333 24.324 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 0.498 -5.057 22.976 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 5.630 -3.233 23.108 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 6.246 -3.759 23.617 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 5.044 -3.873 22.704 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 2.664 -8.262 27.204 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 2.445 -7.732 26.438 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 1.996 -8.035 27.852 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 2.258 -6.370 25.157 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 2.871 -5.737 25.530 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 2.770 -6.842 24.500 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 4.008 -1.279 21.992 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 3.678 -1.649 21.173 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 4.596 -1.949 22.338 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 2.998 -2.209 19.581 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 2.706 -1.441 19.090 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 2.324 -2.869 19.418 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 8.622 -10.331 28.809 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 9.042 -10.746 29.562 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 7.689 -10.509 28.926 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 8.284 -7.838 16.094 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 8.030 -7.819 17.017 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 8.027 -8.710 15.793 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 4.050 -5.087 26.530 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 3.408 -5.128 27.239 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 4.087 -4.161 26.292 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 4.047 -4.866 21.442 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 3.154 -5.207 21.383 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 4.498 -5.243 20.686 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 -1.592 -7.651 22.247 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 -0.961 -7.680 22.967 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 -1.142 -8.076 21.517 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 6.629 -7.439 22.528 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 5.718 -7.382 22.817 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 7.134 -7.499 23.339 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 1.457 -5.810 21.355 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 0.568 -5.710 21.015 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 1.753 -6.652 21.009 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 6.575 -6.263 26.829 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 5.740 -5.809 26.939 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 7.099 -5.987 27.581 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 0.374 -2.375 16.275 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 0.990 -1.748 16.654 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 -0.488 -2.059 16.546 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 0.886 -7.541 29.156 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 -0.007 -7.202 29.089 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 0.787 -8.396 29.574 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 1.789 -0.462 17.767 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 1.103 -0.110 18.334 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 2.312 0.301 17.521 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 10.405 -8.148 19.143 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 10.625 -7.676 18.340 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 10.963 -7.753 19.814 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 7.605 -6.420 19.978 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 8.417 -5.916 20.024 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 7.360 -6.565 20.892 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 8.489 -9.339 20.916 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 8.142 -8.721 21.561 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 9.147 -8.838 20.435 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 5.145 -1.723 17.336 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 4.686 -2.207 18.022 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 5.400 -2.391 16.700 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 6.216 -3.480 15.599 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 6.036 -3.634 14.671 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 7.167 -3.372 15.643 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 5.186 -8.105 28.267 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 5.722 -7.654 27.615 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 4.334 -8.213 27.845 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 5.992 -10.649 28.699 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 5.894 -9.702 28.593 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 5.249 -11.021 28.223 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 0.100 -8.021 24.448 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 0.545 -8.813 24.750 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 0.566 -7.305 24.879 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 -1.319 -10.026 27.916 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 -1.984 -10.272 28.559 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 -1.762 -9.404 27.339 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 8.831 -9.153 23.925 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 8.156 -9.782 24.180 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 9.395 -9.637 23.322 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 11.294 -10.562 23.209 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 11.370 -10.467 22.260 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 11.018 -11.470 23.338 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 6.881 -8.512 18.450 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 7.059 -9.158 19.133 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 6.827 -7.678 18.917 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 1.115 -10.005 31.264 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 0.749 -10.770 31.707 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 2.028 -9.976 31.551 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 22.350 -52.607 -6.606 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 22.358 -52.743 -7.554 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.434 -52.725 -6.354 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 17.947 -56.414 -9.316 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 17.446 -56.442 -10.131 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 17.953 -57.320 -9.006 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 20.196 -55.091 -8.273 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 20.413 -55.452 -7.413 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 19.341 -55.465 -8.483 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 20.775 -56.626 -6.035 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 21.508 -56.372 -5.474 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 19.995 -56.422 -5.520 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 18.108 -58.862 -8.114 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 18.331 -59.280 -7.282 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 17.506 -59.475 -8.536 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.393 -52.304 -10.121 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 19.610 -53.236 -10.152 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 19.640 -52.030 -9.237 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 23.201 -51.498 -4.148 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 23.969 -51.957 -3.807 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 23.180 -51.724 -5.078 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 19.343 -59.407 -5.394 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 19.751 -60.264 -5.515 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 19.083 -59.392 -4.473 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 17.187 -49.328 -16.552 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 16.540 -49.790 -17.085 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 17.542 -50.000 -15.969 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 18.057 -51.247 -14.747 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 17.723 -52.128 -14.575 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 18.279 -50.902 -13.883 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 19.729 -53.419 -5.652 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 18.908 -53.244 -6.112 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 19.477 -53.492 -4.731 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 22.683 -52.444 -9.393 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 22.258 -51.635 -9.676 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 23.588 -52.359 -9.695 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 20.085 -49.188 -9.346 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 19.365 -48.748 -9.797 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 19.719 -49.439 -8.497 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 22.552 -49.588 -10.316 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 21.687 -49.516 -9.912 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 22.497 -49.041 -11.100 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 19.500 -50.565 -12.435 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 19.481 -50.990 -11.578 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 20.305 -50.883 -12.844 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 20.393 -59.061 7.861 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 20.435 -59.687 8.585 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 21.096 -58.438 8.043 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.317 -54.611 6.396 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 20.947 -55.413 6.027 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 22.258 -54.780 6.443 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.927 -60.951 1.789 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 17.479 -60.105 1.771 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 17.366 -61.531 1.274 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.637 -58.789 3.915 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 18.851 -59.559 4.442 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 19.375 -58.700 3.312 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 19.330 -61.351 5.036 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 19.984 -61.901 5.468 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 19.354 -61.625 4.120 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 22.497 -55.190 9.423 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 22.491 -54.311 9.045 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 21.643 -55.273 9.848 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 22.864 -57.847 3.136 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 22.534 -58.217 2.317 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 23.452 -58.517 3.482 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 21.854 -58.777 0.725 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 21.562 -58.009 0.234 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 21.180 -59.437 0.562 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 17.947 -56.414 9.540 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 17.446 -56.442 8.725 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 17.953 -57.320 9.850 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 20.196 -55.091 10.583 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 20.413 -55.452 11.443 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 19.341 -55.465 10.373 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 21.100 -57.323 5.427 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 21.845 -57.325 4.826 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 21.178 -58.147 5.909 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 18.108 -58.862 10.742 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 18.331 -59.280 11.574 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 17.506 -59.475 10.320 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 23.475 -53.805 2.832 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 24.002 -53.032 2.631 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 22.595 -53.580 2.530 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 19.230 -58.943 -2.581 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 19.846 -58.316 -2.202 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 18.368 -58.627 -2.310 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 23.586 -51.120 1.953 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 22.636 -51.015 2.005 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 23.937 -50.300 2.298 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 19.393 -52.304 8.735 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 19.610 -53.236 8.704 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 19.640 -52.030 9.619 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 25.255 -53.853 -4.055 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 25.494 -54.601 -4.603 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 24.986 -54.241 -3.223 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 24.192 -54.283 -1.599 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 24.339 -54.803 -0.809 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 24.189 -53.376 -1.293 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.645 -57.030 -1.089 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.959 -56.678 -0.522 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 21.168 -56.267 -1.335 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 24.268 -51.542 -0.868 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 24.429 -50.742 -1.369 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 24.071 -51.235 0.017 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 21.261 -54.416 -2.192 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 21.853 -53.717 -1.916 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 21.720 -54.849 -2.911 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 19.577 -61.752 -3.076 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 19.532 -60.813 -2.897 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 18.689 -61.988 -3.346 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 18.604 -50.417 13.088 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 19.144 -50.634 13.847 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 18.123 -51.223 12.898 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 18.511 -56.607 14.042 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 18.655 -57.509 13.756 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 17.738 -56.321 13.554 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 22.852 -56.263 -3.826 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 22.916 -57.057 -3.295 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 23.505 -56.382 -4.515 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 24.001 -58.291 -1.520 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 23.542 -58.775 -0.834 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 24.256 -58.959 -2.156 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 24.970 -49.357 -2.256 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 25.903 -49.199 -2.112 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 24.706 -48.682 -2.881 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 17.260 -61.590 6.661 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 17.752 -61.811 5.871 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 17.622 -60.749 6.942 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 20.085 -49.188 9.510 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 19.365 -48.748 9.059 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 19.719 -49.439 10.359 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 19.500 -50.565 6.421 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 19.481 -50.990 7.278 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 20.305 -50.883 6.012 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 21.641 -51.855 5.076 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 21.422 -52.771 5.245 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 22.465 -51.715 5.542 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 24.178 -51.385 5.924 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 24.391 -52.273 5.637 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 24.243 -51.419 6.879 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 18.618 -55.519 19.061 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 18.346 -55.290 18.172 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 18.663 -54.681 19.521 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 18.538 -54.721 16.083 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 19.452 -54.642 16.356 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 18.545 -55.408 15.416 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 17.187 -49.328 21.160 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 16.540 -49.790 20.627 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 17.542 -50.000 21.743 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 18.751 -51.341 18.448 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 18.066 -51.379 17.780 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 18.754 -50.428 18.736 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 20.393 -40.205 -10.995 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 20.435 -40.831 -10.271 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 21.096 -39.582 -10.813 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 17.927 -42.095 -17.067 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 17.479 -41.249 -17.085 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 17.366 -42.675 -17.582 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 18.637 -39.933 -14.941 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 18.851 -40.703 -14.414 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 19.375 -39.844 -15.544 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 19.330 -42.495 -13.820 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 19.984 -43.045 -13.388 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 19.354 -42.769 -14.736 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 21.520 -45.974 -10.508 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 21.301 -45.444 -11.274 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 20.852 -45.747 -9.860 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 21.114 -44.082 -12.555 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 21.727 -43.449 -12.182 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 21.626 -44.554 -13.212 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 21.031 -39.625 -8.141 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 21.101 -38.974 -7.443 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 20.140 -39.522 -8.476 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 22.350 -33.751 -6.606 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 22.358 -33.887 -7.554 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 21.434 -33.869 -6.354 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 17.947 -37.558 -9.316 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 17.446 -37.586 -10.131 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 17.953 -38.464 -9.006 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 17.698 -34.778 -12.432 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 18.644 -34.922 -12.451 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 17.585 -33.994 -11.895 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 20.656 -42.479 -9.315 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 20.618 -42.079 -8.447 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 20.165 -43.296 -9.225 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 17.264 -45.363 -15.465 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 17.895 -45.392 -14.745 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 17.714 -45.788 -16.195 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 20.775 -37.770 -6.035 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 21.508 -37.516 -5.474 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 19.995 -37.566 -5.520 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 18.108 -40.006 -8.114 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 18.331 -40.424 -7.282 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 17.506 -40.619 -8.536 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 19.742 -45.253 -8.556 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 18.849 -44.914 -8.623 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 19.643 -46.108 -8.138 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 20.385 -48.114 -13.259 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 20.156 -48.055 -14.186 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 19.942 -48.906 -12.952 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 18.604 -31.561 -5.768 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 19.144 -31.778 -5.009 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 18.123 -32.367 -5.958 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 23.201 -32.642 -4.148 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 23.969 -33.101 -3.807 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 23.180 -32.868 -5.078 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 18.511 -37.751 -4.814 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 18.655 -38.653 -5.100 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 17.738 -37.465 -5.302 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 23.290 -41.542 -8.020 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 22.672 -40.867 -7.739 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 23.634 -41.221 -8.853 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 23.630 -44.187 -6.937 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 23.780 -44.916 -7.540 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 23.632 -43.410 -7.496 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 24.042 -45.817 -9.445 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 24.578 -45.366 -10.097 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 23.190 -45.925 -9.867 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 22.108 -42.989 -5.026 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 21.341 -43.521 -5.236 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 22.787 -43.299 -5.625 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 24.848 -48.361 -9.013 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 24.750 -47.414 -9.119 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 24.105 -48.733 -9.489 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 26.112 -44.039 -5.450 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 25.876 -44.259 -4.548 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 25.329 -44.246 -5.959 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 25.070 -49.067 -6.342 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 25.782 -49.707 -6.356 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 24.969 -48.800 -7.256 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 25.423 -47.384 -4.288 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 25.292 -47.860 -5.109 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 24.824 -46.640 -4.344 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 17.187 -30.472 -16.552 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 16.540 -30.934 -17.085 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 17.542 -31.144 -15.969 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 18.137 -39.316 -12.296 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 18.321 -39.398 -13.231 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 18.986 -39.440 -11.872 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 18.956 -45.733 -13.264 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 19.401 -46.525 -12.962 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 19.422 -45.017 -12.833 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 17.573 -46.476 -18.140 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 16.648 -46.267 -18.270 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 18.027 -45.992 -18.830 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 17.537 -47.738 -9.796 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 16.872 -47.984 -9.153 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 17.094 -47.116 -10.373 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 19.729 -34.563 -5.652 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 18.908 -34.388 -6.112 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 19.477 -34.636 -4.731 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 20.393 -40.205 7.861 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 20.435 -40.831 8.585 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 21.096 -39.582 8.043 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 22.710 -44.892 4.274 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 22.753 -44.032 3.856 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 22.252 -45.444 3.641 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 24.486 -40.945 4.252 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 25.102 -41.471 4.761 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 23.900 -41.585 3.848 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 21.520 -45.974 8.348 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 21.301 -45.444 7.582 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 20.852 -45.747 8.996 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 24.089 -38.298 8.636 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 23.349 -37.700 8.739 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 24.803 -37.744 8.320 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 21.114 -44.082 6.301 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 21.727 -43.449 6.674 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 21.626 -44.554 5.644 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 22.497 -36.334 9.423 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 22.491 -35.455 9.045 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 21.643 -36.417 9.848 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.618 -36.663 0.205 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.346 -36.434 -0.684 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 18.663 -35.825 0.665 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 22.864 -38.991 3.136 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 22.534 -39.361 2.317 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 23.452 -39.661 3.482 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 24.231 -35.563 5.817 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 24.136 -36.141 5.060 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 24.960 -35.934 6.313 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 23.231 -40.222 6.769 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 23.796 -40.101 6.006 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 23.550 -39.585 7.408 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 24.111 -35.823 11.486 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 23.799 -35.041 11.942 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 23.461 -35.976 10.800 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 21.031 -39.625 10.715 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 21.101 -38.974 11.413 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 20.140 -39.522 10.380 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 27.816 -33.722 2.373 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 28.290 -33.427 3.151 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 27.253 -32.984 2.140 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 21.854 -39.921 0.725 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 21.562 -39.153 0.234 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 21.180 -40.581 0.562 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 26.874 -34.538 10.982 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 26.961 -33.712 11.457 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 26.010 -34.868 11.231 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 27.288 -30.766 0.788 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 27.213 -30.887 -0.158 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 27.321 -29.816 0.907 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 22.815 -47.765 6.579 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 21.954 -47.852 6.171 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 22.793 -46.909 7.006 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 27.140 -45.550 -2.762 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 26.886 -45.531 -1.839 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 26.883 -46.422 -3.063 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 22.906 -42.799 7.674 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 22.264 -42.840 8.383 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 22.943 -41.873 7.436 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 22.903 -42.578 2.586 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 22.010 -42.919 2.527 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 23.354 -42.955 1.830 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 20.656 -42.479 9.541 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 20.618 -42.079 10.409 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 20.165 -43.296 9.631 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 24.022 -45.105 -3.661 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 23.591 -45.550 -2.931 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 23.304 -44.733 -4.173 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 25.485 -45.151 3.672 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 24.574 -45.094 3.961 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 25.990 -45.211 4.483 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 23.966 -43.522 0.155 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 24.898 -43.393 0.333 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 23.751 -42.852 -0.494 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 22.640 -42.327 -2.278 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 22.098 -42.707 -2.969 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 23.474 -42.133 -2.707 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 25.125 -40.489 12.955 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 24.829 -40.655 12.060 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 26.056 -40.709 12.945 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 23.475 -34.949 2.832 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 24.002 -34.176 2.631 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 22.595 -34.724 2.530 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 24.902 -37.286 2.408 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 24.661 -36.361 2.450 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 24.162 -37.745 2.804 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 25.417 -33.137 8.723 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 25.780 -32.282 8.490 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 25.949 -33.429 9.464 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 19.742 -45.253 10.300 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 18.849 -44.914 10.233 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 19.643 -46.108 10.718 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 25.255 -34.997 -4.055 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 25.494 -35.745 -4.603 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 24.986 -35.385 -3.223 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 24.192 -35.427 -1.599 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 24.339 -35.947 -0.809 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 24.189 -34.520 -1.293 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 20.645 -38.174 -1.089 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 19.959 -37.822 -0.522 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 21.168 -37.411 -1.335 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 26.930 -33.729 -0.850 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 26.113 -33.232 -0.797 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 27.459 -33.254 -1.490 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 26.461 -44.132 1.122 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 27.273 -43.628 1.168 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 26.216 -44.277 2.036 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 24.268 -32.686 -0.868 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 24.429 -31.886 -1.369 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 24.071 -32.379 0.017 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 21.261 -35.560 -2.192 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 21.853 -34.861 -1.916 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 21.720 -35.993 -2.911 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 20.385 -48.114 5.597 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 20.156 -48.055 4.670 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 19.942 -48.906 5.904 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.852 -37.407 -3.826 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 22.916 -38.201 -3.295 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 23.505 -37.526 -4.515 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 25.166 -37.781 13.475 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 24.838 -37.510 12.617 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 25.318 -38.722 13.387 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 24.001 -39.435 -1.520 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 23.542 -39.919 -0.834 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 24.256 -40.103 -2.156 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 23.290 -41.542 10.836 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 22.672 -40.867 11.117 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 23.634 -41.221 10.003 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 25.072 -41.192 -3.257 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 24.892 -41.346 -4.185 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 26.023 -41.084 -3.213 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 23.630 -44.187 11.919 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 23.780 -44.916 11.316 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 23.632 -43.410 11.360 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 24.042 -45.817 9.411 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 24.578 -45.366 8.759 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 23.190 -45.925 8.989 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 26.112 -44.039 13.406 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 25.876 -44.259 14.308 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 25.329 -44.246 12.897 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 24.970 -30.501 -2.256 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 25.903 -30.343 -2.112 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 24.706 -29.826 -2.881 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 18.538 -35.865 -2.773 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 19.452 -35.786 -2.500 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 18.545 -36.552 -3.440 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 18.956 -45.733 5.592 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 19.401 -46.525 5.894 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 19.422 -45.017 6.023 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 22.683 -33.588 9.463 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 22.258 -32.779 9.180 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 23.588 -33.503 9.161 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 26.994 -32.189 12.422 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 27.179 -32.523 13.300 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 27.841 -31.880 12.100 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 27.263 -30.844 7.716 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 26.806 -30.315 7.062 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 27.426 -30.241 8.441 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 24.178 -32.529 5.924 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 24.391 -33.417 5.637 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 24.243 -32.563 6.879 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 24.593 -48.304 2.704 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 25.467 -47.916 2.674 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 24.457 -48.519 3.627 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 25.737 -46.224 -0.406 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 25.915 -46.870 0.277 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 25.683 -45.390 0.061 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 27.615 -31.275 -2.011 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 28.481 -30.909 -2.189 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 27.368 -31.715 -2.824 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 19.971 -47.717 12.408 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 19.605 -48.482 12.851 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 20.884 -47.688 12.695 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 21.944 -48.366 13.944 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 22.843 -48.640 13.759 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 21.558 -49.109 14.408 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 21.317 -35.755 25.252 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 20.947 -36.557 24.883 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 22.258 -35.924 25.299 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 17.927 -42.095 20.645 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 17.479 -41.249 20.627 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 17.366 -42.675 20.130 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 18.637 -39.933 22.771 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 18.851 -40.703 23.298 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 19.375 -39.844 22.168 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 19.330 -42.495 23.892 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 19.984 -43.045 24.324 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 19.354 -42.769 22.976 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 22.864 -38.991 21.992 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 22.534 -39.361 21.173 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 23.452 -39.661 22.338 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 21.854 -39.921 19.581 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 21.562 -39.153 19.090 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 21.180 -40.581 19.418 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 17.947 -37.558 28.396 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 17.446 -37.586 27.581 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 17.953 -38.464 28.706 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 20.942 -31.977 21.425 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 21.094 -32.325 22.304 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 20.091 -32.333 21.170 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 20.196 -36.235 29.439 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 20.413 -36.596 30.299 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 19.341 -36.609 29.229 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 24.022 -45.105 15.195 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 23.591 -45.550 15.925 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 23.304 -44.733 14.683 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 17.264 -45.363 22.247 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 17.895 -45.392 22.967 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 17.714 -45.788 21.517 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 20.313 -43.522 21.355 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 19.424 -43.422 21.015 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 20.609 -44.364 21.009 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 22.640 -42.327 16.578 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 22.098 -42.707 15.887 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 23.474 -42.133 16.149 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 21.807 -46.227 20.833 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 21.490 -47.129 20.798 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 22.588 -46.225 20.281 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 21.100 -38.467 24.283 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 21.845 -38.469 23.682 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 21.178 -39.291 24.765 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 23.475 -34.949 21.688 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 24.002 -34.176 21.487 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 22.595 -34.724 21.386 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 23.586 -32.264 20.809 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 22.636 -32.159 20.861 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 23.937 -31.444 21.154 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 19.393 -33.448 27.591 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 19.610 -34.380 27.560 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 19.640 -33.174 28.475 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 25.255 -34.997 14.801 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 25.494 -35.745 14.253 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 24.986 -35.385 15.633 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 24.192 -35.427 17.257 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 24.339 -35.947 18.047 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 24.189 -34.520 17.563 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 26.930 -33.729 18.006 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 26.113 -33.232 18.059 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 27.459 -33.254 17.366 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 24.268 -32.686 17.988 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 24.429 -31.886 17.487 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 24.071 -32.379 18.873 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 23.002 -45.988 17.604 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 22.919 -45.099 17.950 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 23.892 -46.253 17.835 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 19.315 -34.174 20.614 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 18.483 -33.701 20.641 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 19.861 -33.664 20.015 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 27.293 -33.134 14.939 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 26.649 -33.765 15.261 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 28.055 -33.665 14.707 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 22.852 -37.407 15.030 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 22.916 -38.201 15.561 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 23.505 -37.526 14.341 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 24.001 -39.435 17.336 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 23.542 -39.919 18.022 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 24.256 -40.103 16.700 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 25.072 -41.192 15.599 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 24.892 -41.346 14.671 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 26.023 -41.084 15.643 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 24.970 -30.501 16.600 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 25.903 -30.343 16.744 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 24.706 -29.826 15.975 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 17.187 -30.472 21.160 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 16.540 -30.934 20.627 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 17.542 -31.144 21.743 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 18.137 -39.316 25.416 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 18.321 -39.398 24.481 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 18.986 -39.440 25.840 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 17.260 -42.734 25.517 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 17.752 -42.955 24.727 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 17.622 -41.893 25.798 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 17.573 -46.476 19.572 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 16.648 -46.267 19.442 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 18.027 -45.992 18.882 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 20.085 -30.332 28.366 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 19.365 -29.892 27.915 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 19.719 -30.583 29.215 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 19.500 -31.709 25.277 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 19.481 -32.134 26.134 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 20.305 -32.027 24.868 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 21.641 -32.999 23.932 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 21.422 -33.915 24.101 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 22.465 -32.859 24.398 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 18.850 -48.433 17.550 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 19.289 -47.822 16.959 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 18.216 -47.895 18.024 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 20.711 -46.517 15.993 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 21.202 -47.147 15.465 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 21.334 -46.221 16.656 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 20.393 -21.349 -10.995 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 20.435 -21.975 -10.271 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 21.096 -20.726 -10.813 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 21.317 -16.899 -12.460 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 20.947 -17.701 -12.829 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 22.258 -17.068 -12.413 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 18.637 -21.077 -14.941 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 18.851 -21.847 -14.414 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 19.375 -20.988 -15.544 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 19.330 -23.639 -13.820 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 19.984 -24.189 -13.388 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 19.354 -23.913 -14.736 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 21.031 -20.769 -8.141 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 21.101 -20.118 -7.443 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 20.140 -20.666 -8.476 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 17.947 -18.702 -9.316 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 17.446 -18.730 -10.131 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 17.953 -19.608 -9.006 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 17.698 -15.922 -12.432 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 18.644 -16.066 -12.451 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 17.585 -15.138 -11.895 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 20.196 -17.379 -8.273 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 20.413 -17.740 -7.413 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 19.341 -17.753 -8.483 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 20.656 -23.623 -9.315 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 20.618 -23.223 -8.447 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 20.165 -24.440 -9.225 0.00 0.00 WAT1 ATOM 6668 OH2 TIP3 1421 17.264 -26.507 -15.465 0.00 0.00 WAT1 ATOM 6669 H1 TIP3 1421 17.895 -26.536 -14.745 0.00 0.00 WAT1 ATOM 6670 H2 TIP3 1421 17.714 -26.932 -16.195 0.00 0.00 WAT1 ATOM 6671 OH2 TIP3 1422 18.108 -21.150 -8.114 0.00 0.00 WAT1 ATOM 6672 H1 TIP3 1422 18.331 -21.568 -7.282 0.00 0.00 WAT1 ATOM 6673 H2 TIP3 1422 17.506 -21.763 -8.536 0.00 0.00 WAT1 ATOM 6674 OH2 TIP3 1423 19.742 -26.397 -8.556 0.00 0.00 WAT1 ATOM 6675 H1 TIP3 1423 18.849 -26.058 -8.623 0.00 0.00 WAT1 ATOM 6676 H2 TIP3 1423 19.643 -27.252 -8.138 0.00 0.00 WAT1 ATOM 6677 OH2 TIP3 1424 19.393 -14.592 -10.121 0.00 0.00 WAT1 ATOM 6678 H1 TIP3 1424 19.610 -15.524 -10.152 0.00 0.00 WAT1 ATOM 6679 H2 TIP3 1424 19.640 -14.318 -9.237 0.00 0.00 WAT1 ATOM 6680 OH2 TIP3 1425 18.511 -18.895 -4.814 0.00 0.00 WAT1 ATOM 6681 H1 TIP3 1425 18.655 -19.797 -5.100 0.00 0.00 WAT1 ATOM 6682 H2 TIP3 1425 17.738 -18.609 -5.302 0.00 0.00 WAT1 ATOM 6683 OH2 TIP3 1426 19.343 -21.695 -5.394 0.00 0.00 WAT1 ATOM 6684 H1 TIP3 1426 19.751 -22.552 -5.515 0.00 0.00 WAT1 ATOM 6685 H2 TIP3 1426 19.083 -21.680 -4.473 0.00 0.00 WAT1 ATOM 6686 OH2 TIP3 1427 20.289 -26.212 -5.321 0.00 0.00 WAT1 ATOM 6687 H1 TIP3 1427 20.500 -26.919 -5.932 0.00 0.00 WAT1 ATOM 6688 H2 TIP3 1427 20.177 -26.650 -4.477 0.00 0.00 WAT1 ATOM 6689 OH2 TIP3 1428 25.423 -28.528 -4.288 0.00 0.00 WAT1 ATOM 6690 H1 TIP3 1428 25.292 -29.004 -5.109 0.00 0.00 WAT1 ATOM 6691 H2 TIP3 1428 24.824 -27.784 -4.344 0.00 0.00 WAT1 ATOM 6692 OH2 TIP3 1429 18.057 -13.535 -14.747 0.00 0.00 WAT1 ATOM 6693 H1 TIP3 1429 17.723 -14.416 -14.575 0.00 0.00 WAT1 ATOM 6694 H2 TIP3 1429 18.279 -13.190 -13.883 0.00 0.00 WAT1 ATOM 6695 OH2 TIP3 1430 18.137 -20.460 -12.296 0.00 0.00 WAT1 ATOM 6696 H1 TIP3 1430 18.321 -20.542 -13.231 0.00 0.00 WAT1 ATOM 6697 H2 TIP3 1430 18.986 -20.584 -11.872 0.00 0.00 WAT1 ATOM 6698 OH2 TIP3 1431 17.735 -25.189 -6.155 0.00 0.00 WAT1 ATOM 6699 H1 TIP3 1431 18.654 -25.311 -5.919 0.00 0.00 WAT1 ATOM 6700 H2 TIP3 1431 17.285 -25.939 -5.766 0.00 0.00 WAT1 ATOM 6701 OH2 TIP3 1432 18.956 -26.877 -13.264 0.00 0.00 WAT1 ATOM 6702 H1 TIP3 1432 19.401 -27.669 -12.962 0.00 0.00 WAT1 ATOM 6703 H2 TIP3 1432 19.422 -26.161 -12.833 0.00 0.00 WAT1 ATOM 6704 OH2 TIP3 1433 17.260 -23.878 -12.195 0.00 0.00 WAT1 ATOM 6705 H1 TIP3 1433 17.752 -24.099 -12.985 0.00 0.00 WAT1 ATOM 6706 H2 TIP3 1433 17.622 -23.037 -11.914 0.00 0.00 WAT1 ATOM 6707 OH2 TIP3 1434 17.537 -28.882 -9.796 0.00 0.00 WAT1 ATOM 6708 H1 TIP3 1434 16.872 -29.128 -9.153 0.00 0.00 WAT1 ATOM 6709 H2 TIP3 1434 17.094 -28.260 -10.373 0.00 0.00 WAT1 ATOM 6710 OH2 TIP3 1435 19.729 -15.707 -5.652 0.00 0.00 WAT1 ATOM 6711 H1 TIP3 1435 18.908 -15.532 -6.112 0.00 0.00 WAT1 ATOM 6712 H2 TIP3 1435 19.477 -15.780 -4.731 0.00 0.00 WAT1 ATOM 6713 OH2 TIP3 1436 19.500 -12.853 -12.435 0.00 0.00 WAT1 ATOM 6714 H1 TIP3 1436 19.481 -13.278 -11.578 0.00 0.00 WAT1 ATOM 6715 H2 TIP3 1436 20.305 -13.171 -12.844 0.00 0.00 WAT1 ATOM 6716 OH2 TIP3 1437 19.971 -28.861 -6.448 0.00 0.00 WAT1 ATOM 6717 H1 TIP3 1437 19.605 -29.626 -6.005 0.00 0.00 WAT1 ATOM 6718 H2 TIP3 1437 20.884 -28.832 -6.161 0.00 0.00 WAT1 ATOM 6719 OH2 TIP3 1438 21.944 -29.510 -4.912 0.00 0.00 WAT1 ATOM 6720 H1 TIP3 1438 22.843 -29.784 -5.097 0.00 0.00 WAT1 ATOM 6721 H2 TIP3 1438 21.558 -30.253 -4.448 0.00 0.00 WAT1 ATOM 6722 OH2 TIP3 1439 21.317 -16.899 6.396 0.00 0.00 WAT1 ATOM 6723 H1 TIP3 1439 20.947 -17.701 6.027 0.00 0.00 WAT1 ATOM 6724 H2 TIP3 1439 22.258 -17.068 6.443 0.00 0.00 WAT1 ATOM 6725 OH2 TIP3 1440 18.637 -21.077 3.915 0.00 0.00 WAT1 ATOM 6726 H1 TIP3 1440 18.851 -21.847 4.442 0.00 0.00 WAT1 ATOM 6727 H2 TIP3 1440 19.375 -20.988 3.312 0.00 0.00 WAT1 ATOM 6728 OH2 TIP3 1441 22.710 -26.036 4.274 0.00 0.00 WAT1 ATOM 6729 H1 TIP3 1441 22.753 -25.176 3.856 0.00 0.00 WAT1 ATOM 6730 H2 TIP3 1441 22.252 -26.588 3.641 0.00 0.00 WAT1 ATOM 6731 OH2 TIP3 1442 24.089 -19.442 8.636 0.00 0.00 WAT1 ATOM 6732 H1 TIP3 1442 23.349 -18.844 8.739 0.00 0.00 WAT1 ATOM 6733 H2 TIP3 1442 24.803 -18.888 8.320 0.00 0.00 WAT1 ATOM 6734 OH2 TIP3 1443 18.618 -17.807 0.205 0.00 0.00 WAT1 ATOM 6735 H1 TIP3 1443 18.346 -17.578 -0.684 0.00 0.00 WAT1 ATOM 6736 H2 TIP3 1443 18.663 -16.969 0.665 0.00 0.00 WAT1 ATOM 6737 OH2 TIP3 1444 25.546 -29.812 5.801 0.00 0.00 WAT1 ATOM 6738 H1 TIP3 1444 25.429 -30.761 5.747 0.00 0.00 WAT1 ATOM 6739 H2 TIP3 1444 24.691 -29.480 6.074 0.00 0.00 WAT1 ATOM 6740 OH2 TIP3 1445 23.231 -21.366 6.769 0.00 0.00 WAT1 ATOM 6741 H1 TIP3 1445 23.796 -21.245 6.006 0.00 0.00 WAT1 ATOM 6742 H2 TIP3 1445 23.550 -20.729 7.408 0.00 0.00 WAT1 ATOM 6743 OH2 TIP3 1446 21.031 -20.769 10.715 0.00 0.00 WAT1 ATOM 6744 H1 TIP3 1446 21.101 -20.118 11.413 0.00 0.00 WAT1 ATOM 6745 H2 TIP3 1446 20.140 -20.666 10.380 0.00 0.00 WAT1 ATOM 6746 OH2 TIP3 1447 17.947 -18.702 9.540 0.00 0.00 WAT1 ATOM 6747 H1 TIP3 1447 17.446 -18.730 8.725 0.00 0.00 WAT1 ATOM 6748 H2 TIP3 1447 17.953 -19.608 9.850 0.00 0.00 WAT1 ATOM 6749 OH2 TIP3 1448 17.698 -15.922 6.424 0.00 0.00 WAT1 ATOM 6750 H1 TIP3 1448 18.644 -16.066 6.405 0.00 0.00 WAT1 ATOM 6751 H2 TIP3 1448 17.585 -15.138 6.961 0.00 0.00 WAT1 ATOM 6752 OH2 TIP3 1449 20.196 -17.379 10.583 0.00 0.00 WAT1 ATOM 6753 H1 TIP3 1449 20.413 -17.740 11.443 0.00 0.00 WAT1 ATOM 6754 H2 TIP3 1449 19.341 -17.753 10.373 0.00 0.00 WAT1 ATOM 6755 OH2 TIP3 1450 27.478 -29.187 9.953 0.00 0.00 WAT1 ATOM 6756 H1 TIP3 1450 27.898 -29.602 10.706 0.00 0.00 WAT1 ATOM 6757 H2 TIP3 1450 26.545 -29.365 10.070 0.00 0.00 WAT1 ATOM 6758 OH2 TIP3 1451 22.906 -23.943 7.674 0.00 0.00 WAT1 ATOM 6759 H1 TIP3 1451 22.264 -23.984 8.383 0.00 0.00 WAT1 ATOM 6760 H2 TIP3 1451 22.943 -23.017 7.436 0.00 0.00 WAT1 ATOM 6761 OH2 TIP3 1452 22.903 -23.722 2.586 0.00 0.00 WAT1 ATOM 6762 H1 TIP3 1452 22.010 -24.063 2.527 0.00 0.00 WAT1 ATOM 6763 H2 TIP3 1452 23.354 -24.099 1.830 0.00 0.00 WAT1 ATOM 6764 OH2 TIP3 1453 24.022 -26.249 -3.661 0.00 0.00 WAT1 ATOM 6765 H1 TIP3 1453 23.591 -26.694 -2.931 0.00 0.00 WAT1 ATOM 6766 H2 TIP3 1453 23.304 -25.877 -4.173 0.00 0.00 WAT1 ATOM 6767 OH2 TIP3 1454 18.539 -25.761 -1.185 0.00 0.00 WAT1 ATOM 6768 H1 TIP3 1454 19.013 -25.170 -1.770 0.00 0.00 WAT1 ATOM 6769 H2 TIP3 1454 17.821 -25.230 -0.838 0.00 0.00 WAT1 ATOM 6770 OH2 TIP3 1455 25.485 -26.295 3.672 0.00 0.00 WAT1 ATOM 6771 H1 TIP3 1455 24.574 -26.238 3.961 0.00 0.00 WAT1 ATOM 6772 H2 TIP3 1455 25.990 -26.355 4.483 0.00 0.00 WAT1 ATOM 6773 OH2 TIP3 1456 20.313 -24.666 2.499 0.00 0.00 WAT1 ATOM 6774 H1 TIP3 1456 19.424 -24.566 2.159 0.00 0.00 WAT1 ATOM 6775 H2 TIP3 1456 20.609 -25.508 2.153 0.00 0.00 WAT1 ATOM 6776 OH2 TIP3 1457 23.966 -24.666 0.155 0.00 0.00 WAT1 ATOM 6777 H1 TIP3 1457 24.898 -24.537 0.333 0.00 0.00 WAT1 ATOM 6778 H2 TIP3 1457 23.751 -23.996 -0.494 0.00 0.00 WAT1 ATOM 6779 OH2 TIP3 1458 20.775 -18.914 12.821 0.00 0.00 WAT1 ATOM 6780 H1 TIP3 1458 21.508 -18.660 13.382 0.00 0.00 WAT1 ATOM 6781 H2 TIP3 1458 19.995 -18.710 13.336 0.00 0.00 WAT1 ATOM 6782 OH2 TIP3 1459 26.805 -23.507 5.559 0.00 0.00 WAT1 ATOM 6783 H1 TIP3 1459 27.369 -24.054 5.012 0.00 0.00 WAT1 ATOM 6784 H2 TIP3 1459 26.657 -24.029 6.348 0.00 0.00 WAT1 ATOM 6785 OH2 TIP3 1460 21.807 -27.371 1.977 0.00 0.00 WAT1 ATOM 6786 H1 TIP3 1460 21.490 -28.273 1.942 0.00 0.00 WAT1 ATOM 6787 H2 TIP3 1460 22.588 -27.369 1.425 0.00 0.00 WAT1 ATOM 6788 OH2 TIP3 1461 25.431 -25.119 7.973 0.00 0.00 WAT1 ATOM 6789 H1 TIP3 1461 24.596 -24.665 8.083 0.00 0.00 WAT1 ATOM 6790 H2 TIP3 1461 25.955 -24.843 8.725 0.00 0.00 WAT1 ATOM 6791 OH2 TIP3 1462 21.100 -19.611 5.427 0.00 0.00 WAT1 ATOM 6792 H1 TIP3 1462 21.845 -19.613 4.826 0.00 0.00 WAT1 ATOM 6793 H2 TIP3 1462 21.178 -20.435 5.909 0.00 0.00 WAT1 ATOM 6794 OH2 TIP3 1463 19.230 -21.231 -2.581 0.00 0.00 WAT1 ATOM 6795 H1 TIP3 1463 19.846 -20.604 -2.202 0.00 0.00 WAT1 ATOM 6796 H2 TIP3 1463 18.368 -20.915 -2.310 0.00 0.00 WAT1 ATOM 6797 OH2 TIP3 1464 19.393 -14.592 8.735 0.00 0.00 WAT1 ATOM 6798 H1 TIP3 1464 19.610 -15.524 8.704 0.00 0.00 WAT1 ATOM 6799 H2 TIP3 1464 19.640 -14.318 9.619 0.00 0.00 WAT1 ATOM 6800 OH2 TIP3 1465 28.477 -26.656 9.190 0.00 0.00 WAT1 ATOM 6801 H1 TIP3 1465 29.175 -26.582 9.840 0.00 0.00 WAT1 ATOM 6802 H2 TIP3 1465 28.096 -27.520 9.345 0.00 0.00 WAT1 ATOM 6803 OH2 TIP3 1466 26.997 -24.290 10.307 0.00 0.00 WAT1 ATOM 6804 H1 TIP3 1466 27.116 -23.716 11.064 0.00 0.00 WAT1 ATOM 6805 H2 TIP3 1466 27.652 -24.978 10.422 0.00 0.00 WAT1 ATOM 6806 OH2 TIP3 1467 27.345 -28.195 2.060 0.00 0.00 WAT1 ATOM 6807 H1 TIP3 1467 26.998 -27.577 2.705 0.00 0.00 WAT1 ATOM 6808 H2 TIP3 1467 28.003 -27.694 1.579 0.00 0.00 WAT1 ATOM 6809 OH2 TIP3 1468 23.002 -27.132 -1.252 0.00 0.00 WAT1 ATOM 6810 H1 TIP3 1468 22.919 -26.243 -0.906 0.00 0.00 WAT1 ATOM 6811 H2 TIP3 1468 23.892 -27.397 -1.021 0.00 0.00 WAT1 ATOM 6812 OH2 TIP3 1469 19.577 -24.040 -3.076 0.00 0.00 WAT1 ATOM 6813 H1 TIP3 1469 19.532 -23.101 -2.897 0.00 0.00 WAT1 ATOM 6814 H2 TIP3 1469 18.689 -24.276 -3.346 0.00 0.00 WAT1 ATOM 6815 OH2 TIP3 1470 19.315 -15.318 1.758 0.00 0.00 WAT1 ATOM 6816 H1 TIP3 1470 18.483 -14.845 1.785 0.00 0.00 WAT1 ATOM 6817 H2 TIP3 1470 19.861 -14.808 1.159 0.00 0.00 WAT1 ATOM 6818 OH2 TIP3 1471 18.511 -18.895 14.042 0.00 0.00 WAT1 ATOM 6819 H1 TIP3 1471 18.655 -19.797 13.756 0.00 0.00 WAT1 ATOM 6820 H2 TIP3 1471 17.738 -18.609 13.554 0.00 0.00 WAT1 ATOM 6821 OH2 TIP3 1472 19.343 -21.695 13.462 0.00 0.00 WAT1 ATOM 6822 H1 TIP3 1472 19.751 -22.552 13.341 0.00 0.00 WAT1 ATOM 6823 H2 TIP3 1472 19.083 -21.680 14.383 0.00 0.00 WAT1 ATOM 6824 OH2 TIP3 1473 23.290 -22.686 10.836 0.00 0.00 WAT1 ATOM 6825 H1 TIP3 1473 22.672 -22.011 11.117 0.00 0.00 WAT1 ATOM 6826 H2 TIP3 1473 23.634 -22.365 10.003 0.00 0.00 WAT1 ATOM 6827 OH2 TIP3 1474 23.630 -25.331 11.919 0.00 0.00 WAT1 ATOM 6828 H1 TIP3 1474 23.780 -26.060 11.316 0.00 0.00 WAT1 ATOM 6829 H2 TIP3 1474 23.632 -24.554 11.360 0.00 0.00 WAT1 ATOM 6830 OH2 TIP3 1475 22.108 -24.133 13.830 0.00 0.00 WAT1 ATOM 6831 H1 TIP3 1475 21.341 -24.665 13.620 0.00 0.00 WAT1 ATOM 6832 H2 TIP3 1475 22.787 -24.443 13.231 0.00 0.00 WAT1 ATOM 6833 OH2 TIP3 1476 26.112 -25.183 13.406 0.00 0.00 WAT1 ATOM 6834 H1 TIP3 1476 25.876 -25.403 14.308 0.00 0.00 WAT1 ATOM 6835 H2 TIP3 1476 25.329 -25.390 12.897 0.00 0.00 WAT1 ATOM 6836 OH2 TIP3 1477 20.289 -26.212 13.535 0.00 0.00 WAT1 ATOM 6837 H1 TIP3 1477 20.500 -26.919 12.924 0.00 0.00 WAT1 ATOM 6838 H2 TIP3 1477 20.177 -26.650 14.379 0.00 0.00 WAT1 ATOM 6839 OH2 TIP3 1478 25.070 -30.211 12.514 0.00 0.00 WAT1 ATOM 6840 H1 TIP3 1478 25.782 -30.851 12.500 0.00 0.00 WAT1 ATOM 6841 H2 TIP3 1478 24.969 -29.944 11.600 0.00 0.00 WAT1 ATOM 6842 OH2 TIP3 1479 25.423 -28.528 14.568 0.00 0.00 WAT1 ATOM 6843 H1 TIP3 1479 25.292 -29.004 13.747 0.00 0.00 WAT1 ATOM 6844 H2 TIP3 1479 24.824 -27.784 14.512 0.00 0.00 WAT1 ATOM 6845 OH2 TIP3 1480 18.057 -13.535 4.109 0.00 0.00 WAT1 ATOM 6846 H1 TIP3 1480 17.723 -14.416 4.281 0.00 0.00 WAT1 ATOM 6847 H2 TIP3 1480 18.279 -13.190 4.973 0.00 0.00 WAT1 ATOM 6848 OH2 TIP3 1481 27.687 -28.009 5.069 0.00 0.00 WAT1 ATOM 6849 H1 TIP3 1481 27.012 -28.638 5.324 0.00 0.00 WAT1 ATOM 6850 H2 TIP3 1481 28.251 -28.493 4.466 0.00 0.00 WAT1 ATOM 6851 OH2 TIP3 1482 24.593 -29.448 2.704 0.00 0.00 WAT1 ATOM 6852 H1 TIP3 1482 25.467 -29.060 2.674 0.00 0.00 WAT1 ATOM 6853 H2 TIP3 1482 24.457 -29.663 3.627 0.00 0.00 WAT1 ATOM 6854 OH2 TIP3 1483 20.711 -27.661 -2.863 0.00 0.00 WAT1 ATOM 6855 H1 TIP3 1483 21.202 -28.291 -3.391 0.00 0.00 WAT1 ATOM 6856 H2 TIP3 1483 21.334 -27.365 -2.200 0.00 0.00 WAT1 ATOM 6857 OH2 TIP3 1484 25.737 -27.368 -0.406 0.00 0.00 WAT1 ATOM 6858 H1 TIP3 1484 25.915 -28.014 0.277 0.00 0.00 WAT1 ATOM 6859 H2 TIP3 1484 25.683 -26.534 0.061 0.00 0.00 WAT1 ATOM 6860 OH2 TIP3 1485 19.971 -28.861 12.408 0.00 0.00 WAT1 ATOM 6861 H1 TIP3 1485 19.605 -29.626 12.851 0.00 0.00 WAT1 ATOM 6862 H2 TIP3 1485 20.884 -28.832 12.695 0.00 0.00 WAT1 ATOM 6863 OH2 TIP3 1486 21.944 -29.510 13.944 0.00 0.00 WAT1 ATOM 6864 H1 TIP3 1486 22.843 -29.784 13.759 0.00 0.00 WAT1 ATOM 6865 H2 TIP3 1486 21.558 -30.253 14.408 0.00 0.00 WAT1 ATOM 6866 OH2 TIP3 1487 17.927 -23.239 20.645 0.00 0.00 WAT1 ATOM 6867 H1 TIP3 1487 17.479 -22.393 20.627 0.00 0.00 WAT1 ATOM 6868 H2 TIP3 1487 17.366 -23.819 20.130 0.00 0.00 WAT1 ATOM 6869 OH2 TIP3 1488 24.022 -26.249 15.195 0.00 0.00 WAT1 ATOM 6870 H1 TIP3 1488 23.591 -26.694 15.925 0.00 0.00 WAT1 ATOM 6871 H2 TIP3 1488 23.304 -25.877 14.683 0.00 0.00 WAT1 ATOM 6872 OH2 TIP3 1489 17.264 -26.507 22.247 0.00 0.00 WAT1 ATOM 6873 H1 TIP3 1489 17.895 -26.536 22.967 0.00 0.00 WAT1 ATOM 6874 H2 TIP3 1489 17.714 -26.932 21.517 0.00 0.00 WAT1 ATOM 6875 OH2 TIP3 1490 20.313 -24.666 21.355 0.00 0.00 WAT1 ATOM 6876 H1 TIP3 1490 19.424 -24.566 21.015 0.00 0.00 WAT1 ATOM 6877 H2 TIP3 1490 20.609 -25.508 21.009 0.00 0.00 WAT1 ATOM 6878 OH2 TIP3 1491 22.640 -23.471 16.578 0.00 0.00 WAT1 ATOM 6879 H1 TIP3 1491 22.098 -23.851 15.887 0.00 0.00 WAT1 ATOM 6880 H2 TIP3 1491 23.474 -23.277 16.149 0.00 0.00 WAT1 ATOM 6881 OH2 TIP3 1492 21.807 -27.371 20.833 0.00 0.00 WAT1 ATOM 6882 H1 TIP3 1492 21.490 -28.273 20.798 0.00 0.00 WAT1 ATOM 6883 H2 TIP3 1492 22.588 -27.369 20.281 0.00 0.00 WAT1 ATOM 6884 OH2 TIP3 1493 19.230 -21.231 16.275 0.00 0.00 WAT1 ATOM 6885 H1 TIP3 1493 19.846 -20.604 16.654 0.00 0.00 WAT1 ATOM 6886 H2 TIP3 1493 18.368 -20.915 16.546 0.00 0.00 WAT1 ATOM 6887 OH2 TIP3 1494 23.002 -27.132 17.604 0.00 0.00 WAT1 ATOM 6888 H1 TIP3 1494 22.919 -26.243 17.950 0.00 0.00 WAT1 ATOM 6889 H2 TIP3 1494 23.892 -27.397 17.835 0.00 0.00 WAT1 ATOM 6890 OH2 TIP3 1495 19.577 -24.040 15.780 0.00 0.00 WAT1 ATOM 6891 H1 TIP3 1495 19.532 -23.101 15.959 0.00 0.00 WAT1 ATOM 6892 H2 TIP3 1495 18.689 -24.276 15.510 0.00 0.00 WAT1 ATOM 6893 OH2 TIP3 1496 20.385 -29.258 24.453 0.00 0.00 WAT1 ATOM 6894 H1 TIP3 1496 20.156 -29.199 23.526 0.00 0.00 WAT1 ATOM 6895 H2 TIP3 1496 19.942 -30.050 24.760 0.00 0.00 WAT1 ATOM 6896 OH2 TIP3 1497 17.573 -27.620 19.572 0.00 0.00 WAT1 ATOM 6897 H1 TIP3 1497 16.648 -27.411 19.442 0.00 0.00 WAT1 ATOM 6898 H2 TIP3 1497 18.027 -27.136 18.882 0.00 0.00 WAT1 ATOM 6899 OH2 TIP3 1498 17.537 -28.882 27.916 0.00 0.00 WAT1 ATOM 6900 H1 TIP3 1498 16.872 -29.128 28.559 0.00 0.00 WAT1 ATOM 6901 H2 TIP3 1498 17.094 -28.260 27.339 0.00 0.00 WAT1 ATOM 6902 OH2 TIP3 1499 20.013 -29.375 21.747 0.00 0.00 WAT1 ATOM 6903 H1 TIP3 1499 19.236 -29.609 21.239 0.00 0.00 WAT1 ATOM 6904 H2 TIP3 1499 20.544 -30.172 21.755 0.00 0.00 WAT1 ATOM 6905 OH2 TIP3 1500 20.711 -27.661 15.993 0.00 0.00 WAT1 ATOM 6906 H1 TIP3 1500 21.202 -28.291 15.465 0.00 0.00 WAT1 ATOM 6907 H2 TIP3 1500 21.334 -27.365 16.656 0.00 0.00 WAT1 ATOM 6908 OH2 TIP3 1501 17.537 -10.026 -9.796 0.00 0.00 WAT1 ATOM 6909 H1 TIP3 1501 16.872 -10.272 -9.153 0.00 0.00 WAT1 ATOM 6910 H2 TIP3 1501 17.094 -9.404 -10.373 0.00 0.00 WAT1 END