REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:09 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 4.029 3.894 2.577 1.00 44.15 ATOM 2 CB MET 1 4.205 5.981 2.102 1.00 5.31 ATOM 3 HB1 MET 1 3.205 6.370 2.259 1.00 38.16 ATOM 4 HB2 MET 1 4.667 6.548 1.304 1.00 71.22 ATOM 5 CG MET 1 4.982 6.204 3.390 1.00 50.23 ATOM 6 HG1 MET 1 4.724 5.431 4.102 1.00 38.16 ATOM 7 HG2 MET 1 4.702 7.166 3.795 1.00 42.24 ATOM 8 SD MET 1 6.767 6.191 3.135 1.00 0.54 ATOM 9 CE MET 1 7.343 5.831 4.793 1.00 54.02 ATOM 10 HE1 MET 1 8.422 5.791 4.798 1.00 52.42 ATOM 11 HE2 MET 1 6.946 4.879 5.113 1.00 64.43 ATOM 12 HE3 MET 1 7.008 6.606 5.467 1.00 53.34 ATOM 13 C MET 1 2.874 4.289 0.828 1.00 3.11 ATOM 14 O MET 1 2.937 4.372 -0.398 1.00 33.12 ATOM 15 N MET 1 5.320 4.107 0.979 1.00 23.24 ATOM 16 HT1 MET 1 5.170 3.195 0.496 1.00 38.16 ATOM 17 HT2 MET 1 6.103 3.981 1.643 1.00 38.16 ATOM 18 HT3 MET 1 5.591 4.817 0.264 1.00 38.16 ATOM 19 CA MET 1 4.113 4.511 1.690 1.00 32.35 ATOM 20 N GLY 2 1.749 4.007 1.478 1.00 71.55 ATOM 21 HN GLY 2 1.749 3.962 2.463 1.00 38.16 ATOM 22 CA GLY 2 0.512 3.777 0.754 1.00 63.14 ATOM 23 HA1 GLY 2 0.719 3.582 -0.292 1.00 38.16 ATOM 24 HA2 GLY 2 -0.090 4.671 0.819 1.00 71.54 ATOM 25 C GLY 2 -0.273 2.603 1.305 1.00 42.23 ATOM 26 O GLY 2 0.252 1.495 1.420 1.00 10.23 ATOM 27 N HIS 3 -1.534 2.846 1.648 1.00 70.43 ATOM 28 HN HIS 3 -1.909 3.750 1.520 1.00 38.16 ATOM 29 CA HIS 3 -2.393 1.800 2.191 1.00 30.52 ATOM 30 HA HIS 3 -1.769 1.070 2.700 1.00 52.54 ATOM 31 CB HIS 3 -3.364 2.388 3.215 1.00 55.55 ATOM 32 HB1 HIS 3 -4.000 1.601 3.599 1.00 38.16 ATOM 33 HB2 HIS 3 -3.978 3.136 2.734 1.00 40.22 ATOM 34 CG HIS 3 -2.685 3.038 4.380 1.00 11.44 ATOM 35 ND1 HIS 3 -2.847 2.610 5.681 1.00 74.42 ATOM 36 HD1 HIS 3 -3.407 1.860 5.971 1.00 34.24 ATOM 37 CD2 HIS 3 -1.836 4.091 4.436 1.00 22.21 ATOM 38 HD2 HIS 3 -1.484 4.676 3.598 1.00 14.33 ATOM 39 CE1 HIS 3 -2.129 3.371 6.486 1.00 2.22 ATOM 40 HE1 HIS 3 -2.062 3.268 7.559 1.00 2.41 ATOM 41 NE2 HIS 3 -1.505 4.278 5.756 1.00 62.44 ATOM 42 HE2 HIS 3 -0.984 5.028 6.111 1.00 38.16 ATOM 43 C HIS 3 -3.169 1.101 1.079 1.00 51.24 ATOM 44 O HIS 3 -3.984 1.720 0.393 1.00 3.11 ATOM 45 N HIS 4 -2.911 -0.191 0.904 1.00 5.02 ATOM 46 HN HIS 4 -2.239 -0.633 1.476 1.00 38.16 ATOM 47 CA HIS 4 -3.585 -0.973 -0.126 1.00 21.44 ATOM 48 HA HIS 4 -4.634 -0.699 -0.131 1.00 25.13 ATOM 49 CB HIS 4 -2.989 -0.668 -1.500 1.00 51.41 ATOM 50 HB1 HIS 4 -3.176 0.369 -1.737 1.00 38.16 ATOM 51 HB2 HIS 4 -3.463 -1.290 -2.248 1.00 32.22 ATOM 52 CG HIS 4 -1.510 -0.894 -1.576 1.00 15.42 ATOM 53 ND1 HIS 4 -0.584 0.041 -1.163 1.00 33.33 ATOM 54 HD1 HIS 4 -0.789 0.924 -0.797 1.00 2.03 ATOM 55 CD2 HIS 4 -0.799 -1.956 -2.019 1.00 22.44 ATOM 56 HD2 HIS 4 -1.203 -2.876 -2.418 1.00 73.24 ATOM 57 CE1 HIS 4 0.633 -0.437 -1.350 1.00 1.11 ATOM 58 HE1 HIS 4 1.555 0.075 -1.117 1.00 5.45 ATOM 59 NE2 HIS 4 0.531 -1.648 -1.868 1.00 13.42 ATOM 60 HE2 HIS 4 1.278 -2.266 -2.011 1.00 38.16 ATOM 61 C HIS 4 -3.476 -2.467 0.168 1.00 12.43 ATOM 62 O HIS 4 -2.552 -2.910 0.850 1.00 4.13 ATOM 63 N HIS 5 -4.427 -3.238 -0.350 1.00 40.40 ATOM 64 HN HIS 5 -5.150 -2.823 -0.880 1.00 38.16 ATOM 65 CA HIS 5 -4.438 -4.681 -0.143 1.00 20.41 ATOM 66 HA HIS 5 -3.434 -5.057 -0.294 1.00 22.42 ATOM 67 CB HIS 5 -4.880 -5.010 1.284 1.00 42.25 ATOM 68 HB1 HIS 5 -4.126 -4.650 1.969 1.00 38.16 ATOM 69 HB2 HIS 5 -4.978 -6.079 1.408 1.00 65.52 ATOM 70 CG HIS 5 -6.179 -4.373 1.670 1.00 52.13 ATOM 71 ND1 HIS 5 -6.288 -3.048 2.037 1.00 32.43 ATOM 72 HD1 HIS 5 -5.551 -2.404 2.083 1.00 61.23 ATOM 73 CD2 HIS 5 -7.430 -4.886 1.743 1.00 64.15 ATOM 74 HD2 HIS 5 -7.719 -5.904 1.522 1.00 55.02 ATOM 75 CE1 HIS 5 -7.549 -2.775 2.321 1.00 10.22 ATOM 76 HE1 HIS 5 -7.932 -1.816 2.638 1.00 52.32 ATOM 77 NE2 HIS 5 -8.262 -3.873 2.150 1.00 75.12 ATOM 78 HE2 HIS 5 -9.210 -3.972 2.377 1.00 38.16 ATOM 79 C HIS 5 -5.362 -5.367 -1.145 1.00 0.01 ATOM 80 O HIS 5 -5.982 -4.711 -1.983 1.00 33.15 ATOM 81 N HIS 6 -5.448 -6.690 -1.054 1.00 33.33 ATOM 82 HN HIS 6 -4.904 -7.173 -0.389 1.00 38.16 ATOM 83 CA HIS 6 -6.297 -7.465 -1.953 1.00 4.14 ATOM 84 HA HIS 6 -7.021 -6.800 -2.416 1.00 42.13 ATOM 85 CB HIS 6 -5.453 -8.119 -3.047 1.00 23.11 ATOM 86 HB1 HIS 6 -5.999 -8.947 -3.485 1.00 38.16 ATOM 87 HB2 HIS 6 -4.537 -8.494 -2.615 1.00 33.13 ATOM 88 CG HIS 6 -5.085 -7.185 -4.159 1.00 34.42 ATOM 89 ND1 HIS 6 -5.580 -7.310 -5.440 1.00 44.32 ATOM 90 HD1 HIS 6 -6.203 -8.001 -5.749 1.00 4.50 ATOM 91 CD2 HIS 6 -4.268 -6.106 -4.175 1.00 73.44 ATOM 92 HD2 HIS 6 -3.706 -5.715 -3.339 1.00 10.32 ATOM 93 CE1 HIS 6 -5.081 -6.349 -6.197 1.00 41.31 ATOM 94 HE1 HIS 6 -5.291 -6.197 -7.245 1.00 73.53 ATOM 95 NE2 HIS 6 -4.282 -5.604 -5.453 1.00 74.44 ATOM 96 HE2 HIS 6 -3.859 -4.768 -5.741 1.00 38.16 ATOM 97 C HIS 6 -7.071 -8.532 -1.184 1.00 44.14 ATOM 98 O HIS 6 -6.584 -9.071 -0.189 1.00 53.35 ATOM 99 N HIS 7 -8.278 -8.832 -1.652 1.00 13.11 ATOM 100 HN HIS 7 -8.613 -8.366 -2.456 1.00 38.16 ATOM 101 CA HIS 7 -9.120 -9.835 -1.008 1.00 42.45 ATOM 102 HA HIS 7 -9.297 -9.512 0.012 1.00 3.44 ATOM 103 CB HIS 7 -10.462 -9.946 -1.733 1.00 3.42 ATOM 104 HB1 HIS 7 -10.992 -10.826 -1.387 1.00 38.16 ATOM 105 HB2 HIS 7 -10.285 -10.035 -2.794 1.00 41.23 ATOM 106 CG HIS 7 -11.359 -8.766 -1.516 1.00 62.00 ATOM 107 ND1 HIS 7 -12.543 -8.586 -2.199 1.00 10.40 ATOM 108 HD1 HIS 7 -12.911 -9.191 -2.877 1.00 71.43 ATOM 109 CD2 HIS 7 -11.240 -7.704 -0.685 1.00 21.31 ATOM 110 HD2 HIS 7 -10.428 -7.517 0.004 1.00 33.20 ATOM 111 CE1 HIS 7 -13.113 -7.463 -1.799 1.00 21.04 ATOM 112 HE1 HIS 7 -14.050 -7.066 -2.161 1.00 74.40 ATOM 113 NE2 HIS 7 -12.343 -6.909 -0.880 1.00 25.33 ATOM 114 HE2 HIS 7 -12.577 -6.119 -0.349 1.00 38.16 ATOM 115 C HIS 7 -8.426 -11.193 -0.987 1.00 30.32 ATOM 116 O HIS 7 -8.096 -11.750 -2.034 1.00 61.04 ATOM 117 N HIS 8 -8.207 -11.722 0.213 1.00 11.52 ATOM 118 HN HIS 8 -8.496 -11.230 1.019 1.00 38.16 ATOM 119 CA HIS 8 -7.552 -13.015 0.371 1.00 31.21 ATOM 120 HA HIS 8 -6.571 -12.949 -0.090 1.00 45.03 ATOM 121 CB HIS 8 -7.385 -13.349 1.854 1.00 54.41 ATOM 122 HB1 HIS 8 -7.281 -14.421 1.979 1.00 38.16 ATOM 123 HB2 HIS 8 -8.258 -13.017 2.396 1.00 73.12 ATOM 124 CG HIS 8 -6.187 -12.706 2.481 1.00 1.23 ATOM 125 ND1 HIS 8 -5.255 -13.408 3.216 1.00 2.53 ATOM 126 HD1 HIS 8 -5.283 -14.360 3.412 1.00 31.21 ATOM 127 CD2 HIS 8 -5.770 -11.418 2.479 1.00 61.13 ATOM 128 HD2 HIS 8 -6.262 -10.586 1.995 1.00 32.31 ATOM 129 CE1 HIS 8 -4.317 -12.579 3.640 1.00 13.01 ATOM 130 HE1 HIS 8 -3.459 -12.848 4.238 1.00 31.32 ATOM 131 NE2 HIS 8 -4.606 -11.366 3.206 1.00 51.53 ATOM 132 HE2 HIS 8 -4.125 -10.549 3.452 1.00 38.16 ATOM 133 C HIS 8 -8.349 -14.116 -0.324 1.00 4.35 ATOM 134 O HIS 8 -9.341 -14.609 0.211 1.00 15.25 ATOM 135 N SER 9 -7.907 -14.495 -1.518 1.00 64.32 ATOM 136 HN SER 9 -7.096 -14.077 -1.893 1.00 38.16 ATOM 137 CA SER 9 -8.581 -15.534 -2.288 1.00 61.10 ATOM 138 HA SER 9 -9.591 -15.657 -1.913 1.00 41.41 ATOM 139 CB SER 9 -8.669 -15.131 -3.761 1.00 52.31 ATOM 140 HB1 SER 9 -9.398 -15.753 -4.259 1.00 38.16 ATOM 141 HB2 SER 9 -7.705 -15.251 -4.239 1.00 72.33 ATOM 142 OG SER 9 -9.060 -13.775 -3.896 1.00 72.31 ATOM 143 HG SER 9 -8.976 -13.507 -4.814 1.00 72.42 ATOM 144 C SER 9 -7.851 -16.867 -2.157 1.00 70.51 ATOM 145 O SER 9 -7.048 -17.236 -3.015 1.00 51.11 ATOM 146 N HIS 10 -8.136 -17.587 -1.076 1.00 60.35 ATOM 147 HN HIS 10 -8.785 -17.248 -0.418 1.00 38.16 ATOM 148 CA HIS 10 -7.508 -18.881 -0.832 1.00 3.31 ATOM 149 HA HIS 10 -7.877 -19.250 0.115 1.00 12.05 ATOM 150 CB HIS 10 -7.891 -19.873 -1.930 1.00 21.31 ATOM 151 HB1 HIS 10 -7.332 -19.667 -2.833 1.00 38.16 ATOM 152 HB2 HIS 10 -8.946 -19.768 -2.142 1.00 21.11 ATOM 153 CG HIS 10 -7.653 -21.303 -1.554 1.00 64.43 ATOM 154 ND1 HIS 10 -8.223 -22.363 -2.227 1.00 65.45 ATOM 155 HD1 HIS 10 -8.826 -22.295 -2.997 1.00 34.14 ATOM 156 CD2 HIS 10 -6.899 -21.846 -0.570 1.00 31.43 ATOM 157 HD2 HIS 10 -6.309 -21.308 0.158 1.00 62.44 ATOM 158 CE1 HIS 10 -7.831 -23.496 -1.672 1.00 74.30 ATOM 159 HE1 HIS 10 -8.118 -24.488 -1.990 1.00 11.10 ATOM 160 NE2 HIS 10 -7.027 -23.210 -0.664 1.00 72.40 ATOM 161 HE2 HIS 10 -6.520 -23.867 -0.142 1.00 38.16 ATOM 162 C HIS 10 -5.990 -18.743 -0.762 1.00 2.24 ATOM 163 O HIS 10 -5.259 -19.211 -1.634 1.00 64.24 ATOM 164 N PRO 11 -5.503 -18.084 0.301 1.00 75.22 ATOM 165 CA PRO 11 -4.069 -17.869 0.510 1.00 64.10 ATOM 166 HA PRO 11 -3.612 -17.404 -0.354 1.00 64.13 ATOM 167 CB PRO 11 -4.024 -16.900 1.694 1.00 30.22 ATOM 168 HB1 PRO 11 -3.975 -15.887 1.323 1.00 38.16 ATOM 169 HB2 PRO 11 -3.162 -17.095 2.321 1.00 72.20 ATOM 170 CG PRO 11 -5.299 -17.138 2.427 1.00 73.44 ATOM 171 HG1 PRO 11 -5.601 -16.250 2.947 1.00 38.16 ATOM 172 HG2 PRO 11 -5.175 -17.954 3.122 1.00 12.32 ATOM 173 CD PRO 11 -6.317 -17.499 1.380 1.00 62.11 ATOM 174 HD1 PRO 11 -6.837 -16.616 1.037 1.00 38.16 ATOM 175 HD2 PRO 11 -7.015 -18.220 1.778 1.00 5.11 ATOM 176 C PRO 11 -3.332 -19.160 0.850 1.00 34.43 ATOM 177 O PRO 11 -3.885 -20.049 1.498 1.00 40.42 ATOM 178 N ASN 12 -2.082 -19.257 0.410 1.00 72.34 ATOM 179 HN ASN 12 -1.697 -18.496 -0.083 1.00 38.16 ATOM 180 CA ASN 12 -1.270 -20.441 0.668 1.00 53.10 ATOM 181 HA ASN 12 -1.703 -21.267 0.121 1.00 42.54 ATOM 182 CB ASN 12 0.162 -20.219 0.179 1.00 42.04 ATOM 183 HB1 ASN 12 0.683 -21.166 0.185 1.00 38.16 ATOM 184 HB2 ASN 12 0.670 -19.534 0.848 1.00 4.40 ATOM 185 CG ASN 12 0.212 -19.658 -1.229 1.00 52.34 ATOM 186 OD1 ASN 12 -0.237 -20.297 -2.181 1.00 22.53 ATOM 187 ND2 ASN 12 0.759 -18.456 -1.368 1.00 44.11 ATOM 188 HD21 ASN 12 1.102 -17.987 -0.574 1.00 1.23 ATOM 189 HD22 ASN 12 0.800 -18.077 -2.271 1.00 52.03 ATOM 190 C ASN 12 -1.264 -20.783 2.155 1.00 55.41 ATOM 191 O ASN 12 -1.607 -19.950 2.994 1.00 61.31 ATOM 192 N GLU 13 -0.872 -22.013 2.472 1.00 14.43 ATOM 193 HN GLU 13 -0.605 -22.635 1.753 1.00 38.16 ATOM 194 CA GLU 13 -0.822 -22.464 3.858 1.00 13.20 ATOM 195 HA GLU 13 -1.796 -22.328 4.292 1.00 34.42 ATOM 196 CB GLU 13 -0.460 -23.949 3.921 1.00 31.12 ATOM 197 HB1 GLU 13 0.413 -24.125 3.307 1.00 38.16 ATOM 198 HB2 GLU 13 -1.286 -24.519 3.519 1.00 32.33 ATOM 199 CG GLU 13 -0.186 -24.449 5.329 1.00 24.35 ATOM 200 HG1 GLU 13 -0.392 -25.509 5.360 1.00 38.16 ATOM 201 HG2 GLU 13 -0.838 -23.942 6.028 1.00 44.14 ATOM 202 CD GLU 13 1.253 -24.230 5.756 1.00 32.14 ATOM 203 OE1 GLU 13 2.146 -24.904 5.202 1.00 20.04 ATOM 204 OE2 GLU 13 1.485 -23.384 6.645 1.00 13.41 ATOM 205 C GLU 13 0.188 -21.648 4.660 1.00 70.23 ATOM 206 O GLU 13 -0.060 -21.293 5.811 1.00 34.13 ATOM 207 N GLU 14 1.328 -21.356 4.041 1.00 11.12 ATOM 208 HN GLU 14 1.444 -21.628 3.109 1.00 38.16 ATOM 209 CA GLU 14 2.376 -20.584 4.698 1.00 42.43 ATOM 210 HA GLU 14 2.554 -21.014 5.676 1.00 31.20 ATOM 211 CB GLU 14 3.674 -20.654 3.890 1.00 52.30 ATOM 212 HB1 GLU 14 4.475 -20.267 4.503 1.00 38.16 ATOM 213 HB2 GLU 14 3.583 -20.028 3.010 1.00 60.13 ATOM 214 CG GLU 14 4.051 -22.063 3.466 1.00 42.05 ATOM 215 HG1 GLU 14 3.589 -22.783 4.130 1.00 38.16 ATOM 216 HG2 GLU 14 5.124 -22.162 3.532 1.00 55.40 ATOM 217 CD GLU 14 3.633 -22.375 2.042 1.00 61.22 ATOM 218 OE1 GLU 14 3.010 -23.436 1.826 1.00 25.21 ATOM 219 OE2 GLU 14 3.928 -21.559 1.144 1.00 63.53 ATOM 220 C GLU 14 1.951 -19.129 4.873 1.00 42.51 ATOM 221 O GLU 14 2.194 -18.521 5.915 1.00 22.22 ATOM 222 N ALA 15 1.316 -18.576 3.845 1.00 52.12 ATOM 223 HN ALA 15 1.158 -19.107 3.028 1.00 38.16 ATOM 224 CA ALA 15 0.856 -17.193 3.885 1.00 74.42 ATOM 225 HA ALA 15 1.707 -16.558 4.096 1.00 12.05 ATOM 226 CB ALA 15 0.293 -16.785 2.531 1.00 32.25 ATOM 227 HB1 ALA 15 0.008 -15.742 2.554 1.00 51.51 ATOM 228 HB2 ALA 15 -0.572 -17.391 2.299 1.00 50.03 ATOM 229 HB3 ALA 15 1.047 -16.932 1.772 1.00 23.02 ATOM 230 C ALA 15 -0.190 -16.994 4.977 1.00 72.34 ATOM 231 O ALA 15 -0.089 -16.071 5.785 1.00 74.02 ATOM 232 N ARG 16 -1.194 -17.865 4.994 1.00 22.32 ATOM 233 HN ARG 16 -1.219 -18.588 4.321 1.00 38.16 ATOM 234 CA ARG 16 -2.259 -17.783 5.986 1.00 73.41 ATOM 235 HA ARG 16 -2.634 -16.767 6.001 1.00 54.34 ATOM 236 CB ARG 16 -3.407 -18.722 5.611 1.00 74.20 ATOM 237 HB1 ARG 16 -3.642 -18.584 4.564 1.00 38.16 ATOM 238 HB2 ARG 16 -4.260 -18.448 6.206 1.00 43.44 ATOM 239 CG ARG 16 -3.100 -20.190 5.859 1.00 1.15 ATOM 240 HG1 ARG 16 -3.027 -20.371 6.922 1.00 38.16 ATOM 241 HG2 ARG 16 -2.167 -20.429 5.386 1.00 0.43 ATOM 242 CD ARG 16 -4.175 -21.091 5.273 1.00 32.34 ATOM 243 HD1 ARG 16 -3.688 -21.935 4.815 1.00 38.16 ATOM 244 HD2 ARG 16 -4.734 -20.570 4.507 1.00 14.43 ATOM 245 NE ARG 16 -5.079 -21.603 6.300 1.00 73.53 ATOM 246 HE ARG 16 -4.873 -22.484 6.683 1.00 12.44 ATOM 247 CZ ARG 16 -6.148 -20.945 6.732 1.00 14.45 ATOM 248 NH1 ARG 16 -6.446 -19.754 6.230 1.00 21.23 ATOM 249 HH11 ARG 16 -5.899 -19.329 5.530 1.00 64.24 ATOM 250 HH12 ARG 16 -7.270 -19.283 6.543 1.00 12.41 ATOM 251 NH2 ARG 16 -6.923 -21.477 7.669 1.00 0.23 ATOM 252 HH21 ARG 16 -6.691 -22.351 8.050 1.00 30.21 ATOM 253 HH22 ARG 16 -7.739 -20.995 7.976 1.00 31.34 ATOM 254 C ARG 16 -1.736 -18.132 7.376 1.00 21.42 ATOM 255 O ARG 16 -2.196 -17.586 8.380 1.00 73.42 ATOM 256 N LEU 17 -0.772 -19.045 7.428 1.00 72.13 ATOM 257 HN LEU 17 -0.452 -19.465 6.596 1.00 38.16 ATOM 258 CA LEU 17 -0.186 -19.468 8.695 1.00 41.01 ATOM 259 HA LEU 17 -0.974 -19.885 9.308 1.00 70.42 ATOM 260 CB LEU 17 0.874 -20.545 8.455 1.00 51.40 ATOM 261 HB1 LEU 17 1.460 -20.247 7.594 1.00 38.16 ATOM 262 HB2 LEU 17 0.364 -21.468 8.214 1.00 4.50 ATOM 263 CG LEU 17 1.833 -20.813 9.615 1.00 11.14 ATOM 264 HG LEU 17 2.309 -19.897 9.914 1.00 44.34 ATOM 265 CD1 LEU 17 1.078 -21.364 10.815 1.00 0.11 ATOM 266 HD11 LEU 17 0.551 -22.263 10.533 1.00 25.01 ATOM 267 HD12 LEU 17 0.374 -20.627 11.174 1.00 23.13 ATOM 268 HD13 LEU 17 1.782 -21.587 11.580 1.00 22.12 ATOM 269 CD2 LEU 17 2.932 -21.774 9.187 1.00 4.14 ATOM 270 HD21 LEU 17 2.500 -22.660 8.758 1.00 31.43 ATOM 271 HD22 LEU 17 3.539 -22.045 10.040 1.00 74.33 ATOM 272 HD23 LEU 17 3.556 -21.291 8.449 1.00 14.52 ATOM 273 C LEU 17 0.433 -18.284 9.430 1.00 2.25 ATOM 274 O LEU 17 0.356 -18.192 10.656 1.00 74.03 ATOM 275 N ASP 18 1.045 -17.379 8.675 1.00 65.24 ATOM 276 HN ASP 18 1.096 -17.513 7.699 1.00 38.16 ATOM 277 CA ASP 18 1.675 -16.198 9.254 1.00 22.42 ATOM 278 HA ASP 18 2.499 -16.539 9.866 1.00 75.13 ATOM 279 CB ASP 18 2.206 -15.283 8.150 1.00 62.32 ATOM 280 HB1 ASP 18 1.386 -14.749 7.687 1.00 38.16 ATOM 281 HB2 ASP 18 2.699 -15.886 7.401 1.00 75.22 ATOM 282 CG ASP 18 3.208 -14.271 8.669 1.00 43.14 ATOM 283 OD1 ASP 18 3.730 -14.471 9.785 1.00 34.44 ATOM 284 OD2 ASP 18 3.471 -13.278 7.958 1.00 13.54 ATOM 285 C ASP 18 0.691 -15.435 10.135 1.00 2.11 ATOM 286 O ASP 18 1.085 -14.791 11.108 1.00 52.41 ATOM 287 N ILE 19 -0.589 -15.511 9.787 1.00 21.10 ATOM 288 HN ILE 19 -0.848 -16.032 8.998 1.00 38.16 ATOM 289 CA ILE 19 -1.628 -14.827 10.546 1.00 35.32 ATOM 290 HA ILE 19 -1.362 -13.778 10.613 1.00 15.54 ATOM 291 CB ILE 19 -2.997 -14.934 9.849 1.00 54.04 ATOM 292 HB ILE 19 -3.286 -15.970 9.829 1.00 14.41 ATOM 293 CG1 ILE 19 -2.904 -14.413 8.413 1.00 75.42 ATOM 294 HG11 ILE 19 -2.085 -14.887 7.896 1.00 38.16 ATOM 295 HG12 ILE 19 -2.736 -13.346 8.426 1.00 74.32 ATOM 296 CG2 ILE 19 -4.051 -14.164 10.630 1.00 54.22 ATOM 297 HG21 ILE 19 -4.226 -14.667 11.559 1.00 62.24 ATOM 298 HG22 ILE 19 -4.979 -14.128 10.079 1.00 10.21 ATOM 299 HG23 ILE 19 -3.709 -13.156 10.823 1.00 63.12 ATOM 300 CD1 ILE 19 -4.150 -14.672 7.595 1.00 54.53 ATOM 301 HD11 ILE 19 -3.950 -14.443 6.559 1.00 22.45 ATOM 302 HD12 ILE 19 -4.953 -14.044 7.948 1.00 62.14 ATOM 303 HD13 ILE 19 -4.438 -15.711 7.683 1.00 24.53 ATOM 304 C ILE 19 -1.743 -15.396 11.956 1.00 14.14 ATOM 305 O ILE 19 -1.870 -14.651 12.929 1.00 33.45 ATOM 306 N LEU 20 -1.697 -16.719 12.060 1.00 24.42 ATOM 307 HN LEU 20 -1.603 -17.267 11.245 1.00 38.16 ATOM 308 CA LEU 20 -1.794 -17.389 13.352 1.00 25.45 ATOM 309 HA LEU 20 -2.694 -17.054 13.831 1.00 44.52 ATOM 310 CB LEU 20 -1.858 -18.905 13.160 1.00 61.55 ATOM 311 HB1 LEU 20 -1.570 -19.374 14.096 1.00 38.16 ATOM 312 HB2 LEU 20 -1.111 -19.174 12.422 1.00 34.41 ATOM 313 CG LEU 20 -3.214 -19.471 12.735 1.00 65.05 ATOM 314 HG LEU 20 -3.938 -18.680 12.722 1.00 12.40 ATOM 315 CD1 LEU 20 -3.129 -20.069 11.339 1.00 64.02 ATOM 316 HD11 LEU 20 -2.814 -19.309 10.638 1.00 14.32 ATOM 317 HD12 LEU 20 -4.100 -20.443 11.044 1.00 10.21 ATOM 318 HD13 LEU 20 -2.415 -20.881 11.332 1.00 65.44 ATOM 319 CD2 LEU 20 -3.694 -20.512 13.735 1.00 72.44 ATOM 320 HD21 LEU 20 -2.991 -21.333 13.775 1.00 70.44 ATOM 321 HD22 LEU 20 -4.663 -20.885 13.434 1.00 23.11 ATOM 322 HD23 LEU 20 -3.776 -20.062 14.715 1.00 61.22 ATOM 323 C LEU 20 -0.609 -17.029 14.243 1.00 0.51 ATOM 324 O LEU 20 -0.763 -16.823 15.447 1.00 31.53 ATOM 325 N LYS 21 0.574 -16.950 13.643 1.00 72.52 ATOM 326 HN LYS 21 0.642 -17.134 12.676 1.00 38.16 ATOM 327 CA LYS 21 1.785 -16.611 14.379 1.00 4.34 ATOM 328 HA LYS 21 1.860 -17.271 15.234 1.00 13.42 ATOM 329 CB LYS 21 3.018 -16.810 13.494 1.00 32.24 ATOM 330 HB1 LYS 21 3.900 -16.498 14.040 1.00 38.16 ATOM 331 HB2 LYS 21 2.912 -16.184 12.616 1.00 21.13 ATOM 332 CG LYS 21 3.224 -18.249 13.055 1.00 64.42 ATOM 333 HG1 LYS 21 2.270 -18.749 12.955 1.00 38.16 ATOM 334 HG2 LYS 21 3.817 -18.736 13.809 1.00 21.41 ATOM 335 CD LYS 21 3.956 -18.327 11.725 1.00 3.24 ATOM 336 HD1 LYS 21 4.610 -17.469 11.614 1.00 38.16 ATOM 337 HD2 LYS 21 3.232 -18.325 10.930 1.00 72.33 ATOM 338 CE LYS 21 4.797 -19.590 11.625 1.00 72.43 ATOM 339 HE1 LYS 21 5.003 -19.780 10.582 1.00 38.16 ATOM 340 HE2 LYS 21 4.248 -20.428 12.036 1.00 14.13 ATOM 341 NZ LYS 21 6.091 -19.455 12.349 1.00 32.13 ATOM 342 HZ1 LYS 21 5.923 -19.269 13.360 1.00 72.24 ATOM 343 HZ2 LYS 21 6.649 -18.671 11.951 1.00 61.23 ATOM 344 HZ3 LYS 21 6.641 -20.333 12.259 1.00 11.30 ATOM 345 C LYS 21 1.733 -15.170 14.879 1.00 73.34 ATOM 346 O LYS 21 2.231 -14.860 15.961 1.00 31.42 ATOM 347 N ILE 22 1.126 -14.295 14.084 1.00 75.40 ATOM 348 HN ILE 22 0.751 -14.593 13.223 1.00 38.16 ATOM 349 CA ILE 22 1.006 -12.889 14.447 1.00 1.14 ATOM 350 HA ILE 22 1.945 -12.565 14.886 1.00 31.24 ATOM 351 CB ILE 22 0.726 -12.011 13.214 1.00 51.43 ATOM 352 HB ILE 22 -0.204 -12.344 12.771 1.00 73.22 ATOM 353 CG1 ILE 22 1.856 -12.152 12.192 1.00 22.32 ATOM 354 HG11 ILE 22 2.270 -13.147 12.220 1.00 38.16 ATOM 355 HG12 ILE 22 2.647 -11.451 12.425 1.00 53.32 ATOM 356 CG2 ILE 22 0.557 -10.556 13.626 1.00 30.05 ATOM 357 HG21 ILE 22 -0.346 -10.433 14.204 1.00 12.42 ATOM 358 HG22 ILE 22 0.495 -9.931 12.744 1.00 51.13 ATOM 359 HG23 ILE 22 1.403 -10.257 14.211 1.00 53.23 ATOM 360 CD1 ILE 22 1.422 -11.883 10.769 1.00 55.43 ATOM 361 HD11 ILE 22 0.563 -12.491 10.525 1.00 74.43 ATOM 362 HD12 ILE 22 2.232 -12.119 10.096 1.00 43.30 ATOM 363 HD13 ILE 22 1.163 -10.840 10.665 1.00 32.13 ATOM 364 C ILE 22 -0.105 -12.678 15.471 1.00 43.14 ATOM 365 O ILE 22 0.010 -11.838 16.364 1.00 65.02 ATOM 366 N HIS 23 -1.180 -13.447 15.335 1.00 34.24 ATOM 367 HN HIS 23 -1.223 -14.101 14.599 1.00 38.16 ATOM 368 CA HIS 23 -2.312 -13.346 16.250 1.00 71.50 ATOM 369 HA HIS 23 -2.465 -12.303 16.486 1.00 34.03 ATOM 370 CB HIS 23 -3.572 -13.920 15.601 1.00 52.43 ATOM 371 HB1 HIS 23 -4.245 -14.288 16.367 1.00 38.16 ATOM 372 HB2 HIS 23 -3.303 -14.741 14.952 1.00 52.33 ATOM 373 CG HIS 23 -4.335 -12.919 14.788 1.00 33.23 ATOM 374 ND1 HIS 23 -4.494 -11.604 15.170 1.00 42.44 ATOM 375 HD1 HIS 23 -4.151 -11.198 15.992 1.00 42.34 ATOM 376 CD2 HIS 23 -4.984 -13.048 13.607 1.00 14.15 ATOM 377 HD2 HIS 23 -5.136 -13.961 13.068 1.00 44.24 ATOM 378 CE1 HIS 23 -5.209 -10.967 14.259 1.00 3.35 ATOM 379 HE1 HIS 23 -5.490 -9.925 14.292 1.00 64.34 ATOM 380 NE2 HIS 23 -5.519 -11.821 13.301 1.00 43.33 ATOM 381 HE2 HIS 23 -5.968 -11.589 12.461 1.00 38.16 ATOM 382 C HIS 23 -2.021 -14.078 17.557 1.00 72.01 ATOM 383 O HIS 23 -2.623 -13.786 18.590 1.00 3.33 ATOM 384 N SER 24 -1.096 -15.031 17.503 1.00 41.31 ATOM 385 HN SER 24 -0.640 -15.231 16.654 1.00 38.16 ATOM 386 CA SER 24 -0.729 -15.807 18.681 1.00 23.33 ATOM 387 HA SER 24 -1.554 -15.795 19.384 1.00 25.22 ATOM 388 CB SER 24 -0.452 -17.261 18.294 1.00 62.20 ATOM 389 HB1 SER 24 -1.196 -17.595 17.590 1.00 38.16 ATOM 390 HB2 SER 24 -0.509 -17.872 19.165 1.00 24.13 ATOM 391 OG SER 24 0.831 -17.397 17.707 1.00 74.15 ATOM 392 HG SER 24 0.970 -18.311 17.450 1.00 55.30 ATOM 393 C SER 24 0.497 -15.209 19.366 1.00 74.21 ATOM 394 O SER 24 0.955 -15.712 20.392 1.00 11.31 ATOM 395 N ARG 25 1.022 -14.133 18.790 1.00 50.12 ATOM 396 HN ARG 25 0.630 -13.771 17.968 1.00 38.16 ATOM 397 CA ARG 25 2.195 -13.466 19.343 1.00 73.24 ATOM 398 HA ARG 25 2.994 -14.192 19.416 1.00 74.45 ATOM 399 CB ARG 25 2.645 -12.332 18.420 1.00 21.01 ATOM 400 HB1 ARG 25 2.612 -12.685 17.397 1.00 38.16 ATOM 401 HB2 ARG 25 3.664 -12.069 18.667 1.00 30.55 ATOM 402 CG ARG 25 1.791 -11.080 18.532 1.00 34.10 ATOM 403 HG1 ARG 25 2.005 -10.591 19.471 1.00 38.16 ATOM 404 HG2 ARG 25 0.755 -11.348 18.499 1.00 52.22 ATOM 405 CD ARG 25 2.089 -10.100 17.408 1.00 14.13 ATOM 406 HD1 ARG 25 1.963 -10.600 16.459 1.00 38.16 ATOM 407 HD2 ARG 25 3.115 -9.772 17.502 1.00 13.34 ATOM 408 NE ARG 25 1.219 -8.928 17.459 1.00 12.23 ATOM 409 HE ARG 25 0.658 -8.804 18.260 1.00 5.52 ATOM 410 CZ ARG 25 1.147 -8.023 16.489 1.00 22.03 ATOM 411 NH1 ARG 25 1.890 -8.155 15.399 1.00 75.22 ATOM 412 HH11 ARG 25 2.520 -8.919 15.287 1.00 24.14 ATOM 413 HH12 ARG 25 1.820 -7.473 14.667 1.00 32.13 ATOM 414 NH2 ARG 25 0.331 -6.983 16.609 1.00 23.41 ATOM 415 HH21 ARG 25 -0.233 -6.877 17.431 1.00 40.54 ATOM 416 HH22 ARG 25 0.275 -6.299 15.879 1.00 63.12 ATOM 417 C ARG 25 1.902 -12.917 20.736 1.00 74.02 ATOM 418 O ARG 25 2.788 -12.849 21.587 1.00 1.25 ATOM 419 N LYS 26 0.652 -12.526 20.961 1.00 10.20 ATOM 420 HN LYS 26 -0.022 -12.652 20.267 1.00 38.16 ATOM 421 CA LYS 26 0.240 -11.983 22.250 1.00 22.12 ATOM 422 HA LYS 26 1.029 -11.341 22.622 1.00 73.30 ATOM 423 CB LYS 26 -1.032 -11.148 22.092 1.00 14.11 ATOM 424 HB1 LYS 26 -1.154 -10.550 22.984 1.00 38.16 ATOM 425 HB2 LYS 26 -1.888 -11.808 22.005 1.00 43.54 ATOM 426 CG LYS 26 -0.997 -10.206 20.901 1.00 14.43 ATOM 427 HG1 LYS 26 0.027 -10.039 20.589 1.00 38.16 ATOM 428 HG2 LYS 26 -1.429 -9.263 21.209 1.00 21.33 ATOM 429 CD LYS 26 -1.786 -10.761 19.727 1.00 24.21 ATOM 430 HD1 LYS 26 -2.622 -11.350 20.086 1.00 38.16 ATOM 431 HD2 LYS 26 -1.147 -11.385 19.133 1.00 71.32 ATOM 432 CE LYS 26 -2.324 -9.649 18.841 1.00 51.42 ATOM 433 HE1 LYS 26 -2.260 -9.973 17.813 1.00 38.16 ATOM 434 HE2 LYS 26 -1.729 -8.752 18.966 1.00 73.35 ATOM 435 NZ LYS 26 -3.746 -9.333 19.150 1.00 52.43 ATOM 436 HZ1 LYS 26 -4.344 -10.173 19.002 1.00 54.53 ATOM 437 HZ2 LYS 26 -4.083 -8.571 18.528 1.00 20.15 ATOM 438 HZ3 LYS 26 -3.841 -9.021 20.139 1.00 70.03 ATOM 439 C LYS 26 0.005 -13.101 23.261 1.00 51.10 ATOM 440 O LYS 26 0.333 -12.964 24.439 1.00 14.22 ATOM 441 N MET 27 -0.563 -14.207 22.792 1.00 55.12 ATOM 442 HN MET 27 -0.809 -14.264 21.839 1.00 38.16 ATOM 443 CA MET 27 -0.840 -15.349 23.655 1.00 24.23 ATOM 444 HA MET 27 -1.196 -14.978 24.611 1.00 63.33 ATOM 445 CB MET 27 -1.928 -16.230 23.039 1.00 32.02 ATOM 446 HB1 MET 27 -2.076 -17.101 23.666 1.00 38.16 ATOM 447 HB2 MET 27 -1.585 -16.556 22.066 1.00 61.23 ATOM 448 CG MET 27 -3.267 -15.526 22.890 1.00 33.44 ATOM 449 HG1 MET 27 -3.110 -14.462 22.764 1.00 38.16 ATOM 450 HG2 MET 27 -3.845 -15.695 23.786 1.00 24.20 ATOM 451 SD MET 27 -4.215 -16.128 21.479 1.00 2.30 ATOM 452 CE MET 27 -4.004 -17.897 21.659 1.00 71.21 ATOM 453 HE1 MET 27 -4.298 -18.196 22.654 1.00 43.00 ATOM 454 HE2 MET 27 -2.971 -18.160 21.494 1.00 70.44 ATOM 455 HE3 MET 27 -4.612 -18.408 20.938 1.00 11.42 ATOM 456 C MET 27 0.424 -16.171 23.890 1.00 72.22 ATOM 457 O MET 27 1.347 -16.153 23.077 1.00 73.44 ATOM 458 N ASN 28 0.458 -16.890 25.007 1.00 34.40 ATOM 459 HN ASN 28 -0.319 -16.873 25.616 1.00 38.16 ATOM 460 CA ASN 28 1.609 -17.718 25.348 1.00 34.45 ATOM 461 HA ASN 28 2.509 -17.154 25.122 1.00 60.31 ATOM 462 CB ASN 28 1.596 -18.055 26.841 1.00 4.41 ATOM 463 HB1 ASN 28 2.268 -18.881 27.041 1.00 38.16 ATOM 464 HB2 ASN 28 0.593 -18.333 27.125 1.00 34.24 ATOM 465 CG ASN 28 2.022 -16.881 27.702 1.00 50.44 ATOM 466 OD1 ASN 28 2.683 -15.957 27.228 1.00 41.44 ATOM 467 ND2 ASN 28 1.644 -16.912 28.974 1.00 33.32 ATOM 468 HD21 ASN 28 1.116 -17.675 29.288 1.00 33.45 ATOM 469 HD22 ASN 28 1.910 -16.166 29.551 1.00 54.31 ATOM 470 C ASN 28 1.617 -19.004 24.526 1.00 3.54 ATOM 471 O ASN 28 0.625 -19.731 24.481 1.00 75.30 ATOM 472 N LEU 29 2.744 -19.277 23.878 1.00 22.03 ATOM 473 HN LEU 29 3.513 -18.666 23.951 1.00 38.16 ATOM 474 CA LEU 29 2.883 -20.475 23.058 1.00 65.12 ATOM 475 HA LEU 29 1.933 -20.999 23.031 1.00 5.34 ATOM 476 CB LEU 29 3.255 -20.094 21.623 1.00 32.45 ATOM 477 HB1 LEU 29 3.042 -20.940 20.990 1.00 38.16 ATOM 478 HB2 LEU 29 4.324 -19.905 21.589 1.00 15.45 ATOM 479 CG LEU 29 2.544 -18.869 21.049 1.00 40.50 ATOM 480 HG LEU 29 2.652 -18.038 21.729 1.00 41.13 ATOM 481 CD1 LEU 29 3.170 -18.460 19.725 1.00 65.12 ATOM 482 HD11 LEU 29 4.221 -18.252 19.870 1.00 64.53 ATOM 483 HD12 LEU 29 2.681 -17.571 19.353 1.00 44.45 ATOM 484 HD13 LEU 29 3.059 -19.260 19.005 1.00 51.44 ATOM 485 CD2 LEU 29 1.058 -19.146 20.875 1.00 60.51 ATOM 486 HD21 LEU 29 0.653 -19.591 21.774 1.00 0.14 ATOM 487 HD22 LEU 29 0.896 -19.815 20.041 1.00 24.51 ATOM 488 HD23 LEU 29 0.555 -18.214 20.694 1.00 32.34 ATOM 489 C LEU 29 3.939 -21.412 23.637 1.00 73.03 ATOM 490 O LEU 29 5.013 -20.975 24.051 1.00 31.25 ATOM 491 N THR 30 3.627 -22.704 23.660 1.00 33.23 ATOM 492 HN THR 30 2.749 -22.996 23.316 1.00 38.16 ATOM 493 CA THR 30 4.548 -23.703 24.187 1.00 73.40 ATOM 494 HA THR 30 4.641 -23.544 25.252 1.00 34.24 ATOM 495 CB THR 30 4.019 -25.132 23.957 1.00 14.42 ATOM 496 HB THR 30 3.043 -25.215 24.414 1.00 5.03 ATOM 497 OG1 THR 30 4.902 -26.084 24.560 1.00 72.12 ATOM 498 HG1 THR 30 4.419 -26.890 24.763 1.00 53.54 ATOM 499 CG2 THR 30 3.885 -25.426 22.471 1.00 75.42 ATOM 500 HG21 THR 30 3.138 -24.775 22.052 1.00 62.22 ATOM 501 HG22 THR 30 3.571 -26.451 22.342 1.00 10.32 ATOM 502 HG23 THR 30 4.825 -25.280 21.963 1.00 43.04 ATOM 503 C THR 30 5.925 -23.574 23.545 1.00 35.45 ATOM 504 O THR 30 6.075 -22.945 22.498 1.00 2.13 ATOM 505 N ARG 31 6.926 -24.175 24.180 1.00 43.23 ATOM 506 HN ARG 31 6.741 -24.677 25.010 1.00 38.16 ATOM 507 CA ARG 31 8.291 -24.126 23.670 1.00 25.23 ATOM 508 HA ARG 31 8.485 -23.126 23.299 1.00 45.03 ATOM 509 CB ARG 31 9.288 -24.430 24.791 1.00 73.02 ATOM 510 HB1 ARG 31 10.293 -24.319 24.404 1.00 38.16 ATOM 511 HB2 ARG 31 9.145 -25.454 25.111 1.00 62.42 ATOM 512 CG ARG 31 9.140 -23.521 26.000 1.00 20.21 ATOM 513 HG1 ARG 31 8.135 -23.607 26.386 1.00 38.16 ATOM 514 HG2 ARG 31 9.325 -22.502 25.697 1.00 33.22 ATOM 515 CD ARG 31 10.122 -23.893 27.100 1.00 61.32 ATOM 516 HD1 ARG 31 9.942 -23.258 27.955 1.00 38.16 ATOM 517 HD2 ARG 31 11.121 -23.718 26.726 1.00 22.12 ATOM 518 NE ARG 31 9.987 -25.290 27.505 1.00 50.12 ATOM 519 HE ARG 31 9.150 -25.758 27.277 1.00 54.35 ATOM 520 CZ ARG 31 10.924 -25.956 28.170 1.00 61.20 ATOM 521 NH1 ARG 31 12.058 -25.356 28.504 1.00 63.24 ATOM 522 HH11 ARG 31 12.235 -24.403 28.272 1.00 51.44 ATOM 523 HH12 ARG 31 12.759 -25.870 29.003 1.00 51.25 ATOM 524 NH2 ARG 31 10.727 -27.225 28.503 1.00 22.43 ATOM 525 HH21 ARG 31 9.872 -27.684 28.254 1.00 63.03 ATOM 526 HH22 ARG 31 11.433 -27.730 29.005 1.00 50.04 ATOM 527 C ARG 31 8.480 -25.117 22.525 1.00 0.30 ATOM 528 O ARG 31 9.102 -26.165 22.693 1.00 15.13 ATOM 529 N GLY 32 7.938 -24.776 21.360 1.00 71.35 ATOM 530 HN GLY 32 7.482 -23.911 21.273 1.00 38.16 ATOM 531 CA GLY 32 8.057 -25.646 20.204 1.00 73.20 ATOM 532 HA1 GLY 32 8.517 -26.588 20.477 1.00 38.16 ATOM 533 HA2 GLY 32 8.686 -25.159 19.474 1.00 41.31 ATOM 534 C GLY 32 6.717 -25.940 19.559 1.00 13.12 ATOM 535 O GLY 32 6.494 -27.038 19.049 1.00 73.13 ATOM 536 N ILE 33 5.822 -24.958 19.583 1.00 3.43 ATOM 537 HN ILE 33 6.057 -24.092 19.977 1.00 38.16 ATOM 538 CA ILE 33 4.497 -25.117 18.997 1.00 4.01 ATOM 539 HA ILE 33 4.069 -26.035 19.391 1.00 44.43 ATOM 540 CB ILE 33 3.568 -23.950 19.379 1.00 5.54 ATOM 541 HB ILE 33 3.618 -23.801 20.434 1.00 23.14 ATOM 542 CG1 ILE 33 2.126 -24.264 18.977 1.00 42.24 ATOM 543 HG11 ILE 33 1.807 -25.158 19.484 1.00 38.16 ATOM 544 HG12 ILE 33 2.063 -24.415 17.911 1.00 2.44 ATOM 545 CG2 ILE 33 4.039 -22.661 18.722 1.00 41.05 ATOM 546 HG21 ILE 33 5.095 -22.517 18.902 1.00 30.53 ATOM 547 HG22 ILE 33 3.500 -21.829 19.141 1.00 1.22 ATOM 548 HG23 ILE 33 3.859 -22.692 17.656 1.00 52.01 ATOM 549 CD1 ILE 33 1.147 -23.168 19.334 1.00 34.13 ATOM 550 HD11 ILE 33 1.223 -22.939 20.387 1.00 74.15 ATOM 551 HD12 ILE 33 0.153 -23.508 19.113 1.00 45.42 ATOM 552 HD13 ILE 33 1.358 -22.283 18.754 1.00 5.00 ATOM 553 C ILE 33 4.577 -25.212 17.477 1.00 34.22 ATOM 554 O ILE 33 5.378 -24.528 16.843 1.00 5.44 ATOM 555 N ASN 34 3.737 -26.065 16.899 1.00 42.14 ATOM 556 HN ASN 34 3.108 -26.583 17.453 1.00 38.16 ATOM 557 CA ASN 34 3.711 -26.249 15.452 1.00 21.01 ATOM 558 HA ASN 34 4.542 -25.702 15.015 1.00 53.03 ATOM 559 CB ASN 34 3.861 -27.731 15.103 1.00 73.21 ATOM 560 HB1 ASN 34 2.900 -28.192 14.984 1.00 38.16 ATOM 561 HB2 ASN 34 4.386 -28.232 15.905 1.00 22.32 ATOM 562 CG ASN 34 4.659 -27.948 13.832 1.00 23.01 ATOM 563 OD1 ASN 34 5.890 -27.926 13.848 1.00 61.11 ATOM 564 ND2 ASN 34 3.960 -28.159 12.723 1.00 42.41 ATOM 565 HD21 ASN 34 2.995 -28.163 12.779 1.00 30.35 ATOM 566 HD22 ASN 34 4.453 -28.303 11.889 1.00 22.41 ATOM 567 C ASN 34 2.416 -25.703 14.858 1.00 64.24 ATOM 568 O ASN 34 1.409 -26.408 14.781 1.00 24.53 ATOM 569 N LEU 35 2.450 -24.444 14.437 1.00 1.50 ATOM 570 HN LEU 35 3.291 -23.932 14.512 1.00 38.16 ATOM 571 CA LEU 35 1.280 -23.802 13.848 1.00 12.00 ATOM 572 HA LEU 35 0.415 -24.093 14.410 1.00 13.41 ATOM 573 CB LEU 35 1.410 -22.280 13.935 1.00 61.33 ATOM 574 HB1 LEU 35 0.534 -21.827 13.486 1.00 38.16 ATOM 575 HB2 LEU 35 2.275 -22.006 13.345 1.00 33.50 ATOM 576 CG LEU 35 1.606 -21.702 15.337 1.00 74.23 ATOM 577 HG LEU 35 2.179 -22.393 15.941 1.00 45.42 ATOM 578 CD1 LEU 35 2.386 -20.398 15.273 1.00 72.45 ATOM 579 HD11 LEU 35 3.295 -20.544 14.708 1.00 13.22 ATOM 580 HD12 LEU 35 2.637 -20.084 16.276 1.00 13.32 ATOM 581 HD13 LEU 35 1.781 -19.640 14.804 1.00 51.54 ATOM 582 CD2 LEU 35 0.262 -21.489 16.018 1.00 54.33 ATOM 583 HD21 LEU 35 -0.329 -20.784 15.449 1.00 53.24 ATOM 584 HD22 LEU 35 0.418 -21.103 17.016 1.00 60.55 ATOM 585 HD23 LEU 35 -0.266 -22.431 16.080 1.00 55.21 ATOM 586 C LEU 35 1.100 -24.226 12.394 1.00 62.40 ATOM 587 O LEU 35 -0.015 -24.236 11.873 1.00 13.20 ATOM 588 N ARG 36 2.205 -24.579 11.745 1.00 1.20 ATOM 589 HN ARG 36 3.077 -24.534 12.201 1.00 38.16 ATOM 590 CA ARG 36 2.169 -25.005 10.351 1.00 24.44 ATOM 591 HA ARG 36 1.803 -24.189 9.760 1.00 52.12 ATOM 592 CB ARG 36 3.573 -25.384 9.876 1.00 62.23 ATOM 593 HB1 ARG 36 3.940 -26.203 10.480 1.00 38.16 ATOM 594 HB2 ARG 36 4.222 -24.529 10.014 1.00 75.33 ATOM 595 CG ARG 36 3.629 -25.802 8.415 1.00 3.23 ATOM 596 HG1 ARG 36 3.189 -25.022 7.809 1.00 38.16 ATOM 597 HG2 ARG 36 3.070 -26.717 8.284 1.00 1.23 ATOM 598 CD ARG 36 5.061 -26.028 7.955 1.00 0.22 ATOM 599 HD1 ARG 36 5.726 -25.344 8.468 1.00 38.16 ATOM 600 HD2 ARG 36 5.101 -25.829 6.893 1.00 12.50 ATOM 601 NE ARG 36 5.504 -27.398 8.197 1.00 73.41 ATOM 602 HE ARG 36 4.937 -27.974 8.762 1.00 72.23 ATOM 603 CZ ARG 36 6.627 -27.906 7.701 1.00 33.15 ATOM 604 NH1 ARG 36 7.417 -27.160 6.942 1.00 72.23 ATOM 605 HH11 ARG 36 7.192 -26.211 6.729 1.00 5.14 ATOM 606 HH12 ARG 36 8.261 -27.553 6.571 1.00 54.41 ATOM 607 NH2 ARG 36 6.962 -29.162 7.966 1.00 33.52 ATOM 608 HH21 ARG 36 6.370 -29.731 8.540 1.00 53.22 ATOM 609 HH22 ARG 36 7.808 -29.548 7.593 1.00 51.41 ATOM 610 C ARG 36 1.223 -26.188 10.169 1.00 74.01 ATOM 611 O ARG 36 0.553 -26.309 9.143 1.00 53.31 ATOM 612 N LYS 37 1.172 -27.059 11.171 1.00 65.22 ATOM 613 HN LYS 37 1.710 -26.903 11.976 1.00 38.16 ATOM 614 CA LYS 37 0.308 -28.232 11.123 1.00 70.42 ATOM 615 HA LYS 37 0.373 -28.666 10.133 1.00 23.31 ATOM 616 CB LYS 37 0.771 -29.275 12.143 1.00 10.32 ATOM 617 HB1 LYS 37 0.831 -28.814 13.119 1.00 38.16 ATOM 618 HB2 LYS 37 1.758 -29.610 11.856 1.00 23.30 ATOM 619 CG LYS 37 -0.125 -30.500 12.210 1.00 5.35 ATOM 620 HG1 LYS 37 0.497 -31.369 12.376 1.00 38.16 ATOM 621 HG2 LYS 37 -0.649 -30.618 11.268 1.00 35.12 ATOM 622 CD LYS 37 -1.151 -30.380 13.325 1.00 44.22 ATOM 623 HD1 LYS 37 -2.116 -30.630 12.922 1.00 38.16 ATOM 624 HD2 LYS 37 -1.179 -29.368 13.710 1.00 12.03 ATOM 625 CE LYS 37 -0.841 -31.329 14.472 1.00 4.23 ATOM 626 HE1 LYS 37 -1.319 -30.957 15.366 1.00 38.16 ATOM 627 HE2 LYS 37 0.227 -31.372 14.631 1.00 4.33 ATOM 628 NZ LYS 37 -1.336 -32.707 14.202 1.00 40.24 ATOM 629 HZ1 LYS 37 -0.887 -33.091 13.344 1.00 75.42 ATOM 630 HZ2 LYS 37 -2.368 -32.702 14.068 1.00 24.23 ATOM 631 HZ3 LYS 37 -1.108 -33.329 15.004 1.00 71.24 ATOM 632 C LYS 37 -1.144 -27.850 11.394 1.00 44.01 ATOM 633 O LYS 37 -2.068 -28.523 10.937 1.00 20.22 ATOM 634 N ILE 38 -1.336 -26.766 12.138 1.00 51.14 ATOM 635 HN ILE 38 -0.566 -26.266 12.460 1.00 38.16 ATOM 636 CA ILE 38 -2.675 -26.294 12.466 1.00 12.53 ATOM 637 HA ILE 38 -3.222 -27.116 12.913 1.00 44.44 ATOM 638 CB ILE 38 -2.630 -25.131 13.476 1.00 72.40 ATOM 639 HB ILE 38 -2.194 -24.268 12.993 1.00 74.55 ATOM 640 CG1 ILE 38 -1.769 -25.509 14.683 1.00 0.20 ATOM 641 HG11 ILE 38 -1.742 -24.679 15.375 1.00 38.16 ATOM 642 HG12 ILE 38 -0.774 -25.725 14.363 1.00 62.53 ATOM 643 CG2 ILE 38 -4.038 -24.759 13.918 1.00 25.22 ATOM 644 HG21 ILE 38 -4.566 -24.308 13.093 1.00 12.34 ATOM 645 HG22 ILE 38 -3.990 -24.047 14.731 1.00 73.25 ATOM 646 HG23 ILE 38 -4.570 -25.639 14.246 1.00 54.55 ATOM 647 CD1 ILE 38 -2.279 -26.718 15.435 1.00 13.00 ATOM 648 HD11 ILE 38 -3.346 -26.738 15.444 1.00 34.13 ATOM 649 HD12 ILE 38 -1.925 -26.677 16.451 1.00 72.50 ATOM 650 HD13 ILE 38 -1.907 -27.616 14.963 1.00 20.14 ATOM 651 C ILE 38 -3.420 -25.837 11.216 1.00 24.41 ATOM 652 O ILE 38 -4.566 -26.222 10.989 1.00 71.42 ATOM 653 N ALA 39 -2.759 -25.016 10.407 1.00 4.33 ATOM 654 HN ALA 39 -1.841 -24.740 10.643 1.00 38.16 ATOM 655 CA ALA 39 -3.356 -24.510 9.178 1.00 61.14 ATOM 656 HA ALA 39 -4.287 -24.018 9.430 1.00 33.11 ATOM 657 CB ALA 39 -2.443 -23.478 8.533 1.00 44.02 ATOM 658 HB1 ALA 39 -1.509 -23.943 8.251 1.00 32.44 ATOM 659 HB2 ALA 39 -2.248 -22.683 9.238 1.00 42.15 ATOM 660 HB3 ALA 39 -2.921 -23.067 7.654 1.00 73.04 ATOM 661 C ALA 39 -3.647 -25.645 8.202 1.00 41.15 ATOM 662 O ALA 39 -4.586 -25.569 7.410 1.00 33.14 ATOM 663 N GLU 40 -2.835 -26.695 8.263 1.00 25.42 ATOM 664 HN GLU 40 -2.087 -26.697 8.904 1.00 38.16 ATOM 665 CA GLU 40 -3.005 -27.845 7.383 1.00 74.14 ATOM 666 HA GLU 40 -3.000 -27.489 6.359 1.00 2.11 ATOM 667 CB GLU 40 -1.859 -28.840 7.578 1.00 53.11 ATOM 668 HB1 GLU 40 -2.211 -29.850 7.391 1.00 38.16 ATOM 669 HB2 GLU 40 -1.515 -28.786 8.599 1.00 41.21 ATOM 670 CG GLU 40 -0.666 -28.579 6.674 1.00 11.21 ATOM 671 HG1 GLU 40 0.206 -29.035 7.119 1.00 38.16 ATOM 672 HG2 GLU 40 -0.503 -27.513 6.588 1.00 31.23 ATOM 673 CD GLU 40 -0.850 -29.155 5.284 1.00 70.42 ATOM 674 OE1 GLU 40 0.167 -29.359 4.587 1.00 34.14 ATOM 675 OE2 GLU 40 -2.010 -29.403 4.892 1.00 5.30 ATOM 676 C GLU 40 -4.342 -28.535 7.641 1.00 2.25 ATOM 677 O GLU 40 -4.845 -29.276 6.796 1.00 21.01 ATOM 678 N LEU 41 -4.911 -28.286 8.816 1.00 72.34 ATOM 679 HN LEU 41 -4.458 -27.726 9.480 1.00 38.16 ATOM 680 CA LEU 41 -6.189 -28.883 9.188 1.00 74.14 ATOM 681 HA LEU 41 -6.335 -29.792 8.616 1.00 41.15 ATOM 682 CB LEU 41 -6.191 -29.247 10.673 1.00 33.33 ATOM 683 HB1 LEU 41 -7.144 -29.705 10.913 1.00 38.16 ATOM 684 HB2 LEU 41 -6.114 -28.320 11.234 1.00 32.23 ATOM 685 CG LEU 41 -5.072 -30.180 11.137 1.00 31.22 ATOM 686 HG LEU 41 -4.141 -29.888 10.670 1.00 1.13 ATOM 687 CD1 LEU 41 -4.883 -30.079 12.643 1.00 63.32 ATOM 688 HD11 LEU 41 -4.155 -30.804 12.971 1.00 65.34 ATOM 689 HD12 LEU 41 -5.823 -30.271 13.143 1.00 72.52 ATOM 690 HD13 LEU 41 -4.539 -29.087 12.896 1.00 63.12 ATOM 691 CD2 LEU 41 -5.372 -31.616 10.730 1.00 5.35 ATOM 692 HD21 LEU 41 -4.561 -32.259 11.044 1.00 14.12 ATOM 693 HD22 LEU 41 -5.475 -31.674 9.655 1.00 44.30 ATOM 694 HD23 LEU 41 -6.291 -31.944 11.196 1.00 74.33 ATOM 695 C LEU 41 -7.343 -27.933 8.884 1.00 51.32 ATOM 696 O LEU 41 -8.384 -27.975 9.539 1.00 2.02 ATOM 697 N MET 42 -7.151 -27.078 7.884 1.00 13.15 ATOM 698 HN MET 42 -6.318 -27.074 7.381 1.00 38.16 ATOM 699 CA MET 42 -8.178 -26.119 7.492 1.00 63.44 ATOM 700 HA MET 42 -9.087 -26.317 8.045 1.00 31.24 ATOM 701 CB MET 42 -7.728 -24.695 7.820 1.00 43.41 ATOM 702 HB1 MET 42 -8.339 -23.987 7.271 1.00 38.16 ATOM 703 HB2 MET 42 -6.707 -24.574 7.503 1.00 54.11 ATOM 704 CG MET 42 -7.803 -24.359 9.301 1.00 70.54 ATOM 705 HG1 MET 42 -7.014 -23.665 9.539 1.00 38.16 ATOM 706 HG2 MET 42 -7.648 -25.257 9.866 1.00 41.55 ATOM 707 SD MET 42 -9.389 -23.643 9.771 1.00 54.02 ATOM 708 CE MET 42 -8.871 -22.037 10.372 1.00 60.25 ATOM 709 HE1 MET 42 -7.902 -22.112 10.840 1.00 53.43 ATOM 710 HE2 MET 42 -9.595 -21.678 11.081 1.00 44.11 ATOM 711 HE3 MET 42 -8.821 -21.348 9.551 1.00 53.55 ATOM 712 C MET 42 -8.490 -26.236 6.003 1.00 65.40 ATOM 713 O MET 42 -8.109 -25.388 5.196 1.00 14.31 ATOM 714 N PRO 43 -9.198 -27.312 5.628 1.00 24.34 ATOM 715 CA PRO 43 -9.576 -27.565 4.235 1.00 61.01 ATOM 716 HA PRO 43 -8.717 -27.541 3.580 1.00 20.32 ATOM 717 CB PRO 43 -10.152 -28.983 4.275 1.00 12.53 ATOM 718 HB1 PRO 43 -9.367 -29.688 4.047 1.00 38.16 ATOM 719 HB2 PRO 43 -10.956 -29.104 3.560 1.00 64.40 ATOM 720 CG PRO 43 -10.628 -29.158 5.676 1.00 24.32 ATOM 721 HG1 PRO 43 -10.594 -30.203 5.948 1.00 38.16 ATOM 722 HG2 PRO 43 -11.634 -28.776 5.772 1.00 32.32 ATOM 723 CD PRO 43 -9.684 -28.365 6.537 1.00 42.55 ATOM 724 HD1 PRO 43 -8.872 -28.990 6.875 1.00 38.16 ATOM 725 HD2 PRO 43 -10.216 -27.945 7.376 1.00 32.01 ATOM 726 C PRO 43 -10.623 -26.578 3.731 1.00 74.35 ATOM 727 O PRO 43 -11.809 -26.900 3.658 1.00 43.35 ATOM 728 N GLY 44 -10.178 -25.375 3.383 1.00 44.13 ATOM 729 HN GLY 44 -9.220 -25.163 3.459 1.00 38.16 ATOM 730 CA GLY 44 -11.090 -24.360 2.889 1.00 2.12 ATOM 731 HA1 GLY 44 -11.983 -24.818 2.480 1.00 38.16 ATOM 732 HA2 GLY 44 -10.595 -23.816 2.098 1.00 24.41 ATOM 733 C GLY 44 -11.496 -23.373 3.965 1.00 11.24 ATOM 734 O GLY 44 -12.625 -23.407 4.454 1.00 52.43 ATOM 735 N ALA 45 -10.573 -22.492 4.337 1.00 10.02 ATOM 736 HN ALA 45 -9.679 -22.519 3.922 1.00 38.16 ATOM 737 CA ALA 45 -10.841 -21.491 5.362 1.00 13.02 ATOM 738 HA ALA 45 -11.914 -21.395 5.492 1.00 63.51 ATOM 739 CB ALA 45 -10.254 -21.930 6.695 1.00 21.23 ATOM 740 HB1 ALA 45 -9.186 -22.049 6.596 1.00 71.15 ATOM 741 HB2 ALA 45 -10.692 -22.873 6.985 1.00 11.13 ATOM 742 HB3 ALA 45 -10.466 -21.192 7.451 1.00 31.43 ATOM 743 C ALA 45 -10.284 -20.130 4.959 1.00 13.24 ATOM 744 O ALA 45 -9.233 -20.042 4.325 1.00 0.42 ATOM 745 N SER 46 -10.996 -19.071 5.331 1.00 53.30 ATOM 746 HN SER 46 -11.823 -19.200 5.854 1.00 38.16 ATOM 747 CA SER 46 -10.575 -17.713 5.004 1.00 30.41 ATOM 748 HA SER 46 -9.891 -17.745 4.164 1.00 22.12 ATOM 749 CB SER 46 -11.783 -16.864 4.605 1.00 13.12 ATOM 750 HB1 SER 46 -11.441 -15.963 4.117 1.00 38.16 ATOM 751 HB2 SER 46 -12.356 -16.601 5.486 1.00 61.44 ATOM 752 OG SER 46 -12.633 -17.570 3.718 1.00 20.41 ATOM 753 HG SER 46 -12.277 -17.528 2.827 1.00 63.24 ATOM 754 C SER 46 -9.854 -17.070 6.184 1.00 5.51 ATOM 755 O SER 46 -9.736 -17.665 7.254 1.00 12.23 ATOM 756 N GLY 47 -9.371 -15.847 5.980 1.00 71.45 ATOM 757 HN GLY 47 -9.486 -15.410 5.106 1.00 38.16 ATOM 758 CA GLY 47 -8.667 -15.142 7.034 1.00 2.21 ATOM 759 HA1 GLY 47 -8.405 -14.157 6.678 1.00 38.16 ATOM 760 HA2 GLY 47 -7.759 -15.679 7.273 1.00 44.21 ATOM 761 C GLY 47 -9.499 -15.000 8.293 1.00 53.42 ATOM 762 O GLY 47 -8.965 -14.998 9.401 1.00 31.24 ATOM 763 N ALA 48 -10.812 -14.878 8.122 1.00 44.02 ATOM 764 HN ALA 48 -11.187 -14.868 7.210 1.00 38.16 ATOM 765 CA ALA 48 -11.719 -14.735 9.253 1.00 14.23 ATOM 766 HA ALA 48 -11.394 -13.888 9.844 1.00 32.33 ATOM 767 CB ALA 48 -13.132 -14.449 8.764 1.00 25.21 ATOM 768 HB1 ALA 48 -13.785 -14.287 9.611 1.00 31.10 ATOM 769 HB2 ALA 48 -13.494 -15.287 8.185 1.00 31.41 ATOM 770 HB3 ALA 48 -13.124 -13.564 8.145 1.00 2.25 ATOM 771 C ALA 48 -11.704 -15.982 10.131 1.00 5.41 ATOM 772 O ALA 48 -11.705 -15.887 11.358 1.00 72.41 ATOM 773 N GLU 49 -11.689 -17.148 9.494 1.00 61.31 ATOM 774 HN GLU 49 -11.696 -17.164 8.507 1.00 38.16 ATOM 775 CA GLU 49 -11.675 -18.414 10.219 1.00 45.55 ATOM 776 HA GLU 49 -12.507 -18.416 10.914 1.00 30.45 ATOM 777 CB GLU 49 -11.832 -19.585 9.247 1.00 72.11 ATOM 778 HB1 GLU 49 -11.532 -20.508 9.733 1.00 38.16 ATOM 779 HB2 GLU 49 -11.183 -19.413 8.401 1.00 40.12 ATOM 780 CG GLU 49 -13.248 -19.754 8.722 1.00 31.33 ATOM 781 HG1 GLU 49 -13.204 -20.298 7.789 1.00 38.16 ATOM 782 HG2 GLU 49 -13.686 -18.781 8.544 1.00 70.15 ATOM 783 CD GLU 49 -14.139 -20.519 9.683 1.00 44.34 ATOM 784 OE1 GLU 49 -14.404 -21.711 9.425 1.00 73.21 ATOM 785 OE2 GLU 49 -14.570 -19.923 10.692 1.00 24.45 ATOM 786 C GLU 49 -10.382 -18.570 11.015 1.00 13.41 ATOM 787 O GLU 49 -10.385 -19.098 12.127 1.00 13.22 ATOM 788 N VAL 50 -9.278 -18.107 10.437 1.00 13.54 ATOM 789 HN VAL 50 -9.341 -17.685 9.552 1.00 38.16 ATOM 790 CA VAL 50 -7.979 -18.194 11.092 1.00 4.44 ATOM 791 HA VAL 50 -7.730 -19.242 11.205 1.00 33.01 ATOM 792 CB VAL 50 -6.879 -17.520 10.250 1.00 72.34 ATOM 793 HB VAL 50 -7.130 -16.477 10.126 1.00 14.24 ATOM 794 CG1 VAL 50 -5.537 -17.602 10.960 1.00 45.04 ATOM 795 HG11 VAL 50 -5.396 -18.604 11.326 1.00 54.55 ATOM 796 HG12 VAL 50 -5.513 -16.907 11.786 1.00 31.42 ATOM 797 HG13 VAL 50 -4.742 -17.361 10.273 1.00 41.11 ATOM 798 CG2 VAL 50 -6.802 -18.156 8.870 1.00 65.31 ATOM 799 HG21 VAL 50 -7.729 -18.023 8.353 1.00 71.31 ATOM 800 HG22 VAL 50 -6.594 -19.212 8.967 1.00 63.31 ATOM 801 HG23 VAL 50 -6.009 -17.689 8.300 1.00 41.13 ATOM 802 C VAL 50 -8.014 -17.546 12.472 1.00 31.22 ATOM 803 O VAL 50 -7.470 -18.084 13.437 1.00 44.42 ATOM 804 N LYS 51 -8.659 -16.388 12.560 1.00 52.13 ATOM 805 HN LYS 51 -9.067 -15.997 11.751 1.00 38.16 ATOM 806 CA LYS 51 -8.769 -15.666 13.822 1.00 44.03 ATOM 807 HA LYS 51 -7.767 -15.468 14.182 1.00 12.24 ATOM 808 CB LYS 51 -9.493 -14.334 13.610 1.00 24.42 ATOM 809 HB1 LYS 51 -10.526 -14.536 13.352 1.00 38.16 ATOM 810 HB2 LYS 51 -9.023 -13.818 12.784 1.00 43.22 ATOM 811 CG LYS 51 -9.448 -13.419 14.821 1.00 2.41 ATOM 812 HG1 LYS 51 -8.586 -12.772 14.735 1.00 38.16 ATOM 813 HG2 LYS 51 -9.366 -14.001 15.729 1.00 44.32 ATOM 814 CD LYS 51 -10.699 -12.562 14.919 1.00 43.54 ATOM 815 HD1 LYS 51 -10.645 -11.977 15.826 1.00 38.16 ATOM 816 HD2 LYS 51 -11.569 -13.203 14.960 1.00 72.51 ATOM 817 CE LYS 51 -10.820 -11.616 13.733 1.00 12.15 ATOM 818 HE1 LYS 51 -9.835 -11.332 13.385 1.00 38.16 ATOM 819 HE2 LYS 51 -11.348 -10.731 14.057 1.00 53.34 ATOM 820 NZ LYS 51 -11.575 -12.232 12.607 1.00 23.32 ATOM 821 HZ1 LYS 51 -11.984 -11.483 12.012 1.00 31.21 ATOM 822 HZ2 LYS 51 -12.351 -12.834 12.955 1.00 53.30 ATOM 823 HZ3 LYS 51 -10.942 -12.806 12.017 1.00 61.15 ATOM 824 C LYS 51 -9.509 -16.499 14.863 1.00 61.31 ATOM 825 O LYS 51 -9.077 -16.604 16.010 1.00 63.00 ATOM 826 N GLY 52 -10.627 -17.092 14.454 1.00 22.13 ATOM 827 HN GLY 52 -10.940 -16.975 13.529 1.00 38.16 ATOM 828 CA GLY 52 -11.408 -17.910 15.364 1.00 51.32 ATOM 829 HA1 GLY 52 -12.209 -18.377 14.811 1.00 38.16 ATOM 830 HA2 GLY 52 -11.835 -17.276 16.128 1.00 42.31 ATOM 831 C GLY 52 -10.579 -18.990 16.030 1.00 72.24 ATOM 832 O GLY 52 -10.791 -19.314 17.198 1.00 35.31 ATOM 833 N VAL 53 -9.632 -19.551 15.284 1.00 34.41 ATOM 834 HN VAL 53 -9.503 -19.249 14.355 1.00 38.16 ATOM 835 CA VAL 53 -8.769 -20.602 15.809 1.00 61.52 ATOM 836 HA VAL 53 -9.397 -21.387 16.216 1.00 20.51 ATOM 837 CB VAL 53 -7.891 -21.213 14.700 1.00 33.42 ATOM 838 HB VAL 53 -7.275 -20.430 14.278 1.00 44.43 ATOM 839 CG1 VAL 53 -6.974 -22.283 15.274 1.00 52.14 ATOM 840 HG11 VAL 53 -6.299 -21.851 15.995 1.00 61.24 ATOM 841 HG12 VAL 53 -6.390 -22.720 14.476 1.00 35.30 ATOM 842 HG13 VAL 53 -7.565 -23.054 15.749 1.00 41.31 ATOM 843 CG2 VAL 53 -8.759 -21.783 13.588 1.00 23.51 ATOM 844 HG21 VAL 53 -9.456 -22.501 13.999 1.00 31.45 ATOM 845 HG22 VAL 53 -8.130 -22.273 12.870 1.00 51.51 ATOM 846 HG23 VAL 53 -9.300 -20.989 13.109 1.00 61.34 ATOM 847 C VAL 53 -7.869 -20.071 16.919 1.00 34.42 ATOM 848 O VAL 53 -7.732 -20.695 17.972 1.00 23.32 ATOM 849 N CYS 54 -7.260 -18.916 16.677 1.00 24.43 ATOM 850 HN CYS 54 -7.438 -18.453 15.826 1.00 38.16 ATOM 851 CA CYS 54 -6.372 -18.300 17.657 1.00 20.53 ATOM 852 HA CYS 54 -5.579 -19.001 17.881 1.00 10.04 ATOM 853 CB CYS 54 -5.752 -17.025 17.084 1.00 21.31 ATOM 854 HB1 CYS 54 -5.002 -16.658 17.769 1.00 38.16 ATOM 855 HB2 CYS 54 -6.521 -16.274 16.963 1.00 0.33 ATOM 856 SG CYS 54 -4.961 -17.249 15.474 1.00 42.43 ATOM 857 HG CYS 54 -3.846 -17.940 15.659 1.00 2.22 ATOM 858 C CYS 54 -7.123 -17.981 18.946 1.00 41.43 ATOM 859 O CYS 54 -6.705 -18.374 20.035 1.00 32.04 ATOM 860 N THR 55 -8.234 -17.262 18.814 1.00 30.44 ATOM 861 HN THR 55 -8.518 -16.974 17.914 1.00 38.16 ATOM 862 CA THR 55 -9.042 -16.887 19.968 1.00 51.24 ATOM 863 HA THR 55 -8.445 -16.235 20.593 1.00 0.43 ATOM 864 CB THR 55 -10.311 -16.125 19.540 1.00 1.04 ATOM 865 HB THR 55 -10.968 -16.804 19.009 1.00 1.31 ATOM 866 OG1 THR 55 -9.963 -15.044 18.668 1.00 1.24 ATOM 867 HG1 THR 55 -9.995 -15.340 17.755 1.00 43.24 ATOM 868 CG2 THR 55 -11.053 -15.586 20.754 1.00 4.41 ATOM 869 HG21 THR 55 -11.461 -16.404 21.327 1.00 3.52 ATOM 870 HG22 THR 55 -11.859 -14.947 20.423 1.00 11.15 ATOM 871 HG23 THR 55 -10.376 -15.013 21.374 1.00 23.10 ATOM 872 C THR 55 -9.448 -18.113 20.778 1.00 43.24 ATOM 873 O THR 55 -9.321 -18.129 22.001 1.00 2.34 ATOM 874 N GLU 56 -9.935 -19.138 20.086 1.00 34.33 ATOM 875 HN GLU 56 -10.018 -19.065 19.105 1.00 38.16 ATOM 876 CA GLU 56 -10.360 -20.369 20.744 1.00 44.15 ATOM 877 HA GLU 56 -11.143 -20.121 21.449 1.00 34.01 ATOM 878 CB GLU 56 -10.905 -21.361 19.714 1.00 20.12 ATOM 879 HB1 GLU 56 -10.968 -22.350 20.152 1.00 38.16 ATOM 880 HB2 GLU 56 -10.220 -21.385 18.883 1.00 2.04 ATOM 881 CG GLU 56 -12.275 -20.986 19.174 1.00 21.51 ATOM 882 HG1 GLU 56 -12.489 -21.601 18.322 1.00 38.16 ATOM 883 HG2 GLU 56 -12.260 -19.951 18.870 1.00 33.22 ATOM 884 CD GLU 56 -13.374 -21.150 20.206 1.00 4.34 ATOM 885 OE1 GLU 56 -13.207 -21.981 21.123 1.00 24.31 ATOM 886 OE2 GLU 56 -14.400 -20.447 20.098 1.00 42.33 ATOM 887 C GLU 56 -9.203 -21.001 21.513 1.00 74.42 ATOM 888 O GLU 56 -9.360 -21.414 22.661 1.00 33.05 ATOM 889 N ALA 57 -8.042 -21.074 20.870 1.00 34.11 ATOM 890 HN ALA 57 -7.980 -20.740 19.943 1.00 38.16 ATOM 891 CA ALA 57 -6.859 -21.654 21.493 1.00 33.42 ATOM 892 HA ALA 57 -7.035 -22.713 21.622 1.00 13.35 ATOM 893 CB ALA 57 -5.649 -21.484 20.588 1.00 45.13 ATOM 894 HB1 ALA 57 -5.880 -21.872 19.607 1.00 20.11 ATOM 895 HB2 ALA 57 -4.812 -22.028 20.998 1.00 2.51 ATOM 896 HB3 ALA 57 -5.395 -20.436 20.507 1.00 1.20 ATOM 897 C ALA 57 -6.594 -21.028 22.858 1.00 52.52 ATOM 898 O ALA 57 -6.178 -21.708 23.794 1.00 21.22 ATOM 899 N GLY 58 -6.838 -19.725 22.963 1.00 43.50 ATOM 900 HN GLY 58 -7.155 -19.213 22.186 1.00 38.16 ATOM 901 CA GLY 58 -6.619 -19.028 24.217 1.00 45.20 ATOM 902 HA1 GLY 58 -6.626 -17.965 24.025 1.00 38.16 ATOM 903 HA2 GLY 58 -5.651 -19.299 24.620 1.00 14.30 ATOM 904 C GLY 58 -7.685 -19.340 25.248 1.00 61.11 ATOM 905 O GLY 58 -7.415 -19.343 26.449 1.00 62.25 ATOM 906 N MET 59 -8.901 -19.602 24.779 1.00 45.01 ATOM 907 HN MET 59 -9.067 -19.569 23.811 1.00 38.16 ATOM 908 CA MET 59 -10.012 -19.916 25.670 1.00 64.44 ATOM 909 HA MET 59 -10.006 -19.205 26.481 1.00 62.42 ATOM 910 CB MET 59 -11.341 -19.807 24.920 1.00 2.52 ATOM 911 HB1 MET 59 -12.152 -20.008 25.607 1.00 38.16 ATOM 912 HB2 MET 59 -11.356 -20.558 24.139 1.00 63.42 ATOM 913 CG MET 59 -11.557 -18.454 24.262 1.00 52.33 ATOM 914 HG1 MET 59 -11.966 -18.619 23.276 1.00 38.16 ATOM 915 HG2 MET 59 -10.619 -17.925 24.168 1.00 52.14 ATOM 916 SD MET 59 -12.706 -17.410 25.180 1.00 44.02 ATOM 917 CE MET 59 -11.985 -17.474 26.818 1.00 13.04 ATOM 918 HE1 MET 59 -12.085 -18.472 27.219 1.00 72.12 ATOM 919 HE2 MET 59 -12.496 -16.774 27.463 1.00 65.55 ATOM 920 HE3 MET 59 -10.939 -17.212 26.761 1.00 62.42 ATOM 921 C MET 59 -9.859 -21.316 26.256 1.00 71.43 ATOM 922 O MET 59 -10.151 -21.543 27.430 1.00 22.22 ATOM 923 N TYR 60 -9.401 -22.251 25.431 1.00 71.42 ATOM 924 HN TYR 60 -9.193 -22.016 24.496 1.00 38.16 ATOM 925 CA TYR 60 -9.213 -23.630 25.867 1.00 2.22 ATOM 926 HA TYR 60 -10.152 -23.987 26.262 1.00 2.04 ATOM 927 CB TYR 60 -8.797 -24.508 24.686 1.00 30.41 ATOM 928 HB1 TYR 60 -8.315 -25.407 25.055 1.00 38.16 ATOM 929 HB2 TYR 60 -8.091 -23.964 24.071 1.00 75.44 ATOM 930 CG TYR 60 -9.956 -24.948 23.821 1.00 74.21 ATOM 931 CD1 TYR 60 -9.994 -24.641 22.467 1.00 53.34 ATOM 932 HD1 TYR 60 -9.181 -24.078 22.029 1.00 64.44 ATOM 933 CD2 TYR 60 -11.014 -25.672 24.358 1.00 22.50 ATOM 934 HD2 TYR 60 -11.000 -25.925 25.404 1.00 14.14 ATOM 935 CE1 TYR 60 -11.052 -25.040 21.673 1.00 50.22 ATOM 936 HE1 TYR 60 -11.063 -24.792 20.622 1.00 24.50 ATOM 937 CE2 TYR 60 -12.075 -26.077 23.571 1.00 21.14 ATOM 938 HE2 TYR 60 -12.887 -26.639 24.008 1.00 61.21 ATOM 939 CZ TYR 60 -12.090 -25.758 22.230 1.00 43.14 ATOM 940 OH TYR 60 -13.144 -26.159 21.442 1.00 55.41 ATOM 941 HH TYR 60 -13.960 -25.750 21.751 1.00 30.43 ATOM 942 C TYR 60 -8.164 -23.713 26.972 1.00 64.24 ATOM 943 O TYR 60 -8.288 -24.508 27.903 1.00 53.12 ATOM 944 N ALA 61 -7.130 -22.886 26.860 1.00 3.31 ATOM 945 HN ALA 61 -7.074 -22.276 26.087 1.00 38.16 ATOM 946 CA ALA 61 -6.059 -22.863 27.849 1.00 15.44 ATOM 947 HA ALA 61 -5.739 -23.882 28.032 1.00 44.24 ATOM 948 CB ALA 61 -4.863 -22.089 27.315 1.00 72.21 ATOM 949 HB1 ALA 61 -4.055 -22.126 28.032 1.00 20.52 ATOM 950 HB2 ALA 61 -5.144 -21.060 27.141 1.00 60.32 ATOM 951 HB3 ALA 61 -4.537 -22.532 26.386 1.00 11.15 ATOM 952 C ALA 61 -6.540 -22.256 29.164 1.00 64.15 ATOM 953 O ALA 61 -6.215 -22.752 30.243 1.00 33.23 ATOM 954 N LEU 62 -7.313 -21.181 29.065 1.00 11.45 ATOM 955 HN LEU 62 -7.532 -20.820 28.173 1.00 38.16 ATOM 956 CA LEU 62 -7.838 -20.505 30.247 1.00 20.33 ATOM 957 HA LEU 62 -7.000 -20.220 30.872 1.00 64.54 ATOM 958 CB LEU 62 -8.610 -19.249 29.840 1.00 33.24 ATOM 959 HB1 LEU 62 -9.358 -19.032 30.597 1.00 38.16 ATOM 960 HB2 LEU 62 -9.134 -19.474 28.918 1.00 54.52 ATOM 961 CG LEU 62 -7.774 -17.987 29.626 1.00 30.11 ATOM 962 HG LEU 62 -6.868 -18.243 29.093 1.00 21.42 ATOM 963 CD1 LEU 62 -8.537 -16.978 28.782 1.00 13.15 ATOM 964 HD11 LEU 62 -9.447 -16.689 29.291 1.00 40.51 ATOM 965 HD12 LEU 62 -8.785 -17.419 27.826 1.00 23.14 ATOM 966 HD13 LEU 62 -7.924 -16.102 28.620 1.00 21.52 ATOM 967 CD2 LEU 62 -7.378 -17.377 30.962 1.00 3.45 ATOM 968 HD21 LEU 62 -8.265 -17.096 31.513 1.00 51.42 ATOM 969 HD22 LEU 62 -6.768 -16.500 30.794 1.00 4.02 ATOM 970 HD23 LEU 62 -6.812 -18.098 31.536 1.00 35.55 ATOM 971 C LEU 62 -8.743 -21.435 31.049 1.00 71.31 ATOM 972 O LEU 62 -8.559 -21.611 32.253 1.00 4.14 ATOM 973 N ARG 63 -9.720 -22.030 30.372 1.00 50.00 ATOM 974 HN ARG 63 -9.816 -21.849 29.406 1.00 38.16 ATOM 975 CA ARG 63 -10.653 -22.943 31.021 1.00 72.01 ATOM 976 HA ARG 63 -11.184 -22.393 31.786 1.00 23.24 ATOM 977 CB ARG 63 -11.665 -23.479 30.006 1.00 44.11 ATOM 978 HB1 ARG 63 -12.158 -22.641 29.535 1.00 38.16 ATOM 979 HB2 ARG 63 -12.405 -24.066 30.536 1.00 32.31 ATOM 980 CG ARG 63 -11.039 -24.336 28.918 1.00 74.42 ATOM 981 HG1 ARG 63 -10.286 -24.988 29.327 1.00 38.16 ATOM 982 HG2 ARG 63 -10.596 -23.690 28.202 1.00 42.44 ATOM 983 CD ARG 63 -12.081 -25.196 28.219 1.00 22.51 ATOM 984 HD1 ARG 63 -11.663 -25.552 27.296 1.00 38.16 ATOM 985 HD2 ARG 63 -12.956 -24.594 28.004 1.00 51.44 ATOM 986 NE ARG 63 -12.473 -26.347 29.029 1.00 62.14 ATOM 987 HE ARG 63 -11.976 -26.516 29.864 1.00 34.23 ATOM 988 CZ ARG 63 -13.458 -27.175 28.700 1.00 15.14 ATOM 989 NH1 ARG 63 -14.148 -26.981 27.585 1.00 50.32 ATOM 990 HH11 ARG 63 -13.946 -26.219 26.973 1.00 5.23 ATOM 991 HH12 ARG 63 -14.890 -27.611 27.346 1.00 20.33 ATOM 992 NH2 ARG 63 -13.756 -28.200 29.489 1.00 62.02 ATOM 993 HH21 ARG 63 -13.239 -28.352 30.334 1.00 40.25 ATOM 994 HH22 ARG 63 -14.499 -28.826 29.243 1.00 24.31 ATOM 995 C ARG 63 -9.911 -24.104 31.677 1.00 41.32 ATOM 996 O ARG 63 -10.410 -24.719 32.618 1.00 11.34 ATOM 997 N GLU 64 -8.717 -24.397 31.172 1.00 43.24 ATOM 998 HN GLU 64 -8.376 -23.912 30.391 1.00 38.16 ATOM 999 CA GLU 64 -7.907 -25.484 31.708 1.00 31.50 ATOM 1000 HA GLU 64 -8.559 -26.209 32.185 1.00 51.43 ATOM 1001 CB GLU 64 -7.141 -26.183 30.583 1.00 52.15 ATOM 1002 HB1 GLU 64 -6.327 -26.762 31.008 1.00 38.16 ATOM 1003 HB2 GLU 64 -6.727 -25.434 29.923 1.00 62.45 ATOM 1004 CG GLU 64 -8.000 -27.122 29.753 1.00 35.53 ATOM 1005 HG1 GLU 64 -8.609 -26.542 29.082 1.00 38.16 ATOM 1006 HG2 GLU 64 -8.641 -27.692 30.413 1.00 51.24 ATOM 1007 CD GLU 64 -7.176 -28.101 28.939 1.00 15.02 ATOM 1008 OE1 GLU 64 -6.825 -27.766 27.788 1.00 35.12 ATOM 1009 OE2 GLU 64 -6.883 -29.201 29.452 1.00 1.11 ATOM 1010 C GLU 64 -6.929 -24.967 32.759 1.00 20.51 ATOM 1011 O GLU 64 -5.948 -25.634 33.091 1.00 52.34 ATOM 1012 N ARG 65 -7.203 -23.775 33.279 1.00 75.44 ATOM 1013 HN ARG 65 -7.984 -23.270 33.000 1.00 38.16 ATOM 1014 CA ARG 65 -6.348 -23.168 34.290 1.00 3.44 ATOM 1015 HA ARG 65 -6.677 -22.152 34.437 1.00 11.33 ATOM 1016 CB ARG 65 -6.464 -23.929 35.612 1.00 62.52 ATOM 1017 HB1 ARG 65 -6.005 -23.343 36.396 1.00 38.16 ATOM 1018 HB2 ARG 65 -5.937 -24.872 35.526 1.00 21.33 ATOM 1019 CG ARG 65 -7.897 -24.237 36.014 1.00 51.22 ATOM 1020 HG1 ARG 65 -7.881 -24.864 36.894 1.00 38.16 ATOM 1021 HG2 ARG 65 -8.395 -24.762 35.213 1.00 2.22 ATOM 1022 CD ARG 65 -8.671 -22.967 36.333 1.00 64.02 ATOM 1023 HD1 ARG 65 -9.725 -23.202 36.310 1.00 38.16 ATOM 1024 HD2 ARG 65 -8.466 -22.216 35.585 1.00 64.33 ATOM 1025 NE ARG 65 -8.343 -22.444 37.656 1.00 23.35 ATOM 1026 HE ARG 65 -7.843 -23.029 38.272 1.00 53.23 ATOM 1027 CZ ARG 65 -8.685 -21.230 38.073 1.00 73.32 ATOM 1028 NH1 ARG 65 -9.363 -20.418 37.273 1.00 22.31 ATOM 1029 HH11 ARG 65 -9.632 -20.694 36.354 1.00 73.34 ATOM 1030 HH12 ARG 65 -9.614 -19.503 37.596 1.00 24.04 ATOM 1031 NH2 ARG 65 -8.350 -20.826 39.292 1.00 75.54 ATOM 1032 HH21 ARG 65 -7.838 -21.435 39.902 1.00 1.14 ATOM 1033 HH22 ARG 65 -8.607 -19.910 39.608 1.00 44.21 ATOM 1034 C ARG 65 -4.893 -23.145 33.830 1.00 71.21 ATOM 1035 O ARG 65 -3.973 -23.242 34.642 1.00 0.32 ATOM 1036 N ARG 66 -4.694 -23.018 32.522 1.00 3.22 ATOM 1037 HN ARG 66 -5.455 -22.890 31.914 1.00 38.16 ATOM 1038 CA ARG 66 -3.352 -22.985 31.954 1.00 44.44 ATOM 1039 HA ARG 66 -2.637 -23.278 32.717 1.00 51.15 ATOM 1040 CB ARG 66 -3.242 -23.974 30.792 1.00 30.43 ATOM 1041 HB1 ARG 66 -2.282 -23.832 30.306 1.00 38.16 ATOM 1042 HB2 ARG 66 -4.026 -23.768 30.081 1.00 55.45 ATOM 1043 CG ARG 66 -3.356 -25.429 31.219 1.00 54.22 ATOM 1044 HG1 ARG 66 -4.401 -25.685 31.280 1.00 38.16 ATOM 1045 HG2 ARG 66 -2.891 -25.564 32.187 1.00 52.54 ATOM 1046 CD ARG 66 -2.678 -26.356 30.223 1.00 74.43 ATOM 1047 HD1 ARG 66 -1.644 -26.470 30.517 1.00 38.16 ATOM 1048 HD2 ARG 66 -2.724 -25.924 29.230 1.00 62.35 ATOM 1049 NE ARG 66 -3.310 -27.673 30.183 1.00 2.32 ATOM 1050 HE ARG 66 -4.149 -27.799 30.684 1.00 14.12 ATOM 1051 CZ ARG 66 -2.816 -28.704 29.507 1.00 34.44 ATOM 1052 NH1 ARG 66 -1.691 -28.573 28.819 1.00 71.03 ATOM 1053 HH11 ARG 66 -1.195 -27.707 28.792 1.00 1.42 ATOM 1054 HH12 ARG 66 -1.326 -29.358 28.313 1.00 51.13 ATOM 1055 NH2 ARG 66 -3.449 -29.871 29.520 1.00 2.10 ATOM 1056 HH21 ARG 66 -4.300 -29.977 30.039 1.00 13.22 ATOM 1057 HH22 ARG 66 -3.079 -30.651 29.011 1.00 0.51 ATOM 1058 C ARG 66 -2.999 -21.580 31.474 1.00 51.34 ATOM 1059 O ARG 66 -3.817 -20.901 30.852 1.00 63.45 ATOM 1060 N VAL 67 -1.776 -21.149 31.767 1.00 14.15 ATOM 1061 HN VAL 67 -1.156 -21.741 32.255 1.00 38.16 ATOM 1062 CA VAL 67 -1.315 -19.825 31.366 1.00 71.43 ATOM 1063 HA VAL 67 -2.168 -19.152 31.334 1.00 35.33 ATOM 1064 CB VAL 67 -0.299 -19.255 32.374 1.00 74.25 ATOM 1065 HB VAL 67 0.561 -19.911 32.406 1.00 74.02 ATOM 1066 CG1 VAL 67 0.171 -17.877 31.935 1.00 4.25 ATOM 1067 HG11 VAL 67 0.586 -17.340 32.779 1.00 44.23 ATOM 1068 HG12 VAL 67 -0.652 -17.308 31.523 1.00 45.02 ATOM 1069 HG13 VAL 67 0.936 -17.993 31.193 1.00 72.44 ATOM 1070 CG2 VAL 67 -0.905 -19.203 33.768 1.00 52.41 ATOM 1071 HG21 VAL 67 -1.782 -18.570 33.761 1.00 20.30 ATOM 1072 HG22 VAL 67 -0.180 -18.803 34.464 1.00 45.22 ATOM 1073 HG23 VAL 67 -1.183 -20.199 34.082 1.00 40.24 ATOM 1074 C VAL 67 -0.676 -19.863 29.982 1.00 4.23 ATOM 1075 O VAL 67 -0.646 -18.857 29.273 1.00 40.23 ATOM 1076 N HIS 68 -0.164 -21.030 29.604 1.00 34.10 ATOM 1077 HN HIS 68 -0.225 -21.807 30.200 1.00 38.16 ATOM 1078 CA HIS 68 0.474 -21.200 28.304 1.00 43.43 ATOM 1079 HA HIS 68 0.598 -20.240 27.850 1.00 32.32 ATOM 1080 CB HIS 68 1.857 -21.831 28.469 1.00 32.45 ATOM 1081 HB1 HIS 68 2.510 -21.116 28.949 1.00 38.16 ATOM 1082 HB2 HIS 68 2.264 -22.081 27.498 1.00 42.23 ATOM 1083 CG HIS 68 1.851 -23.075 29.304 1.00 73.21 ATOM 1084 ND1 HIS 68 2.136 -23.078 30.653 1.00 42.11 ATOM 1085 HD1 HIS 68 2.366 -22.292 31.191 1.00 23.24 ATOM 1086 CD2 HIS 68 1.590 -24.362 28.973 1.00 13.45 ATOM 1087 HD2 HIS 68 1.327 -24.731 27.992 1.00 5.43 ATOM 1088 CE1 HIS 68 2.053 -24.312 31.116 1.00 71.32 ATOM 1089 HE1 HIS 68 2.225 -24.616 32.138 1.00 10.31 ATOM 1090 NE2 HIS 68 1.722 -25.111 30.117 1.00 42.42 ATOM 1091 HE2 HIS 68 1.499 -26.061 30.204 1.00 38.16 ATOM 1092 C HIS 68 -0.385 -22.062 27.384 1.00 33.04 ATOM 1093 O HIS 68 -0.950 -23.070 27.810 1.00 3.23 ATOM 1094 N VAL 69 -0.481 -21.659 26.121 1.00 1.13 ATOM 1095 HN VAL 69 0.003 -20.850 25.831 1.00 38.16 ATOM 1096 CA VAL 69 -1.271 -22.395 25.142 1.00 53.22 ATOM 1097 HA VAL 69 -2.087 -22.890 25.663 1.00 4.41 ATOM 1098 CB VAL 69 -1.889 -21.449 24.095 1.00 74.22 ATOM 1099 HB VAL 69 -1.099 -21.033 23.488 1.00 42.40 ATOM 1100 CG1 VAL 69 -2.829 -22.213 23.174 1.00 42.21 ATOM 1101 HG11 VAL 69 -3.596 -22.701 23.759 1.00 63.33 ATOM 1102 HG12 VAL 69 -2.278 -22.953 22.614 1.00 32.12 ATOM 1103 HG13 VAL 69 -3.294 -21.525 22.482 1.00 42.12 ATOM 1104 CG2 VAL 69 -2.616 -20.301 24.778 1.00 12.30 ATOM 1105 HG21 VAL 69 -3.390 -20.692 25.424 1.00 21.40 ATOM 1106 HG22 VAL 69 -3.064 -19.660 24.031 1.00 35.32 ATOM 1107 HG23 VAL 69 -1.917 -19.722 25.364 1.00 71.35 ATOM 1108 C VAL 69 -0.425 -23.442 24.427 1.00 24.25 ATOM 1109 O VAL 69 0.709 -23.174 24.028 1.00 21.11 ATOM 1110 N THR 70 -0.983 -24.638 24.269 1.00 64.44 ATOM 1111 HN THR 70 -1.891 -24.798 24.604 1.00 38.16 ATOM 1112 CA THR 70 -0.279 -25.728 23.603 1.00 52.51 ATOM 1113 HA THR 70 0.773 -25.477 23.520 1.00 23.43 ATOM 1114 CB THR 70 -0.379 -27.036 24.409 1.00 71.41 ATOM 1115 HB THR 70 0.294 -27.762 23.974 1.00 64.14 ATOM 1116 OG1 THR 70 -1.716 -27.545 24.353 1.00 35.15 ATOM 1117 HG1 THR 70 -1.707 -28.495 24.498 1.00 5.31 ATOM 1118 CG2 THR 70 0.024 -26.811 25.858 1.00 33.34 ATOM 1119 HG21 THR 70 0.005 -27.754 26.384 1.00 10.01 ATOM 1120 HG22 THR 70 -0.669 -26.128 26.326 1.00 21.44 ATOM 1121 HG23 THR 70 1.023 -26.398 25.900 1.00 75.45 ATOM 1122 C THR 70 -0.831 -25.963 22.202 1.00 74.52 ATOM 1123 O THR 70 -1.961 -25.580 21.898 1.00 63.31 ATOM 1124 N GLN 71 -0.028 -26.597 21.353 1.00 12.30 ATOM 1125 HN GLN 71 0.869 -26.878 21.656 1.00 38.16 ATOM 1126 CA GLN 71 -0.438 -26.883 19.983 1.00 32.34 ATOM 1127 HA GLN 71 -0.537 -25.942 19.461 1.00 52.52 ATOM 1128 CB GLN 71 0.622 -27.731 19.278 1.00 42.50 ATOM 1129 HB1 GLN 71 0.863 -28.576 19.906 1.00 38.16 ATOM 1130 HB2 GLN 71 1.510 -27.137 19.138 1.00 71.31 ATOM 1131 CG GLN 71 0.176 -28.261 17.925 1.00 32.32 ATOM 1132 HG1 GLN 71 -0.180 -27.437 17.328 1.00 38.16 ATOM 1133 HG2 GLN 71 -0.619 -28.977 18.065 1.00 11.13 ATOM 1134 CD GLN 71 1.296 -28.948 17.169 1.00 20.23 ATOM 1135 OE1 GLN 71 2.412 -29.079 17.674 1.00 73.24 ATOM 1136 NE2 GLN 71 1.004 -29.392 15.952 1.00 2.41 ATOM 1137 HE21 GLN 71 0.101 -29.240 15.603 1.00 44.15 ATOM 1138 HE22 GLN 71 1.700 -29.871 15.457 1.00 45.41 ATOM 1139 C GLN 71 -1.782 -27.604 19.957 1.00 70.00 ATOM 1140 O GLN 71 -2.669 -27.253 19.180 1.00 72.33 ATOM 1141 N GLU 72 -1.924 -28.613 20.811 1.00 10.21 ATOM 1142 HN GLU 72 -1.172 -28.858 21.402 1.00 38.16 ATOM 1143 CA GLU 72 -3.160 -29.383 20.884 1.00 60.13 ATOM 1144 HA GLU 72 -3.262 -29.920 19.968 1.00 25.24 ATOM 1145 CB GLU 72 -3.098 -30.381 22.042 1.00 63.12 ATOM 1146 HB1 GLU 72 -4.102 -30.622 22.374 1.00 38.16 ATOM 1147 HB2 GLU 72 -2.565 -29.927 22.867 1.00 41.24 ATOM 1148 CG GLU 72 -2.394 -31.680 21.689 1.00 64.44 ATOM 1149 HG1 GLU 72 -2.233 -32.242 22.597 1.00 38.16 ATOM 1150 HG2 GLU 72 -1.439 -31.454 21.236 1.00 22.50 ATOM 1151 CD GLU 72 -3.196 -32.536 20.728 1.00 32.52 ATOM 1152 OE1 GLU 72 -4.442 -32.502 20.804 1.00 74.35 ATOM 1153 OE2 GLU 72 -2.579 -33.240 19.902 1.00 61.30 ATOM 1154 C GLU 72 -4.365 -28.463 21.055 1.00 73.01 ATOM 1155 O GLU 72 -5.460 -28.761 20.578 1.00 72.35 ATOM 1156 N ASP 73 -4.155 -27.344 21.740 1.00 73.24 ATOM 1157 HN ASP 73 -3.269 -27.168 22.123 1.00 38.16 ATOM 1158 CA ASP 73 -5.223 -26.379 21.974 1.00 34.52 ATOM 1159 HA ASP 73 -6.090 -26.913 22.342 1.00 54.25 ATOM 1160 CB ASP 73 -4.795 -25.359 23.030 1.00 32.22 ATOM 1161 HB1 ASP 73 -5.647 -24.748 23.291 1.00 38.16 ATOM 1162 HB2 ASP 73 -4.017 -24.725 22.636 1.00 51.11 ATOM 1163 CG ASP 73 -4.283 -26.017 24.296 1.00 10.25 ATOM 1164 OD1 ASP 73 -3.609 -25.329 25.092 1.00 40.11 ATOM 1165 OD2 ASP 73 -4.557 -27.219 24.493 1.00 61.13 ATOM 1166 C ASP 73 -5.603 -25.664 20.682 1.00 44.44 ATOM 1167 O ASP 73 -6.769 -25.341 20.458 1.00 55.40 ATOM 1168 N PHE 74 -4.609 -25.418 19.834 1.00 11.41 ATOM 1169 HN PHE 74 -3.692 -25.679 20.071 1.00 38.16 ATOM 1170 CA PHE 74 -4.838 -24.738 18.564 1.00 0.14 ATOM 1171 HA PHE 74 -5.459 -23.868 18.750 1.00 62.44 ATOM 1172 CB PHE 74 -3.508 -24.287 17.956 1.00 14.11 ATOM 1173 HB1 PHE 74 -3.597 -24.246 16.875 1.00 38.16 ATOM 1174 HB2 PHE 74 -2.738 -25.005 18.205 1.00 71.22 ATOM 1175 CG PHE 74 -3.060 -22.934 18.431 1.00 73.12 ATOM 1176 CD1 PHE 74 -2.342 -22.801 19.608 1.00 22.41 ATOM 1177 HD1 PHE 74 -2.102 -23.680 20.190 1.00 31.24 ATOM 1178 CD2 PHE 74 -3.357 -21.795 17.699 1.00 30.44 ATOM 1179 HD2 PHE 74 -3.917 -21.882 16.778 1.00 31.33 ATOM 1180 CE1 PHE 74 -1.929 -21.558 20.047 1.00 10.33 ATOM 1181 HE1 PHE 74 -1.368 -21.468 20.965 1.00 12.43 ATOM 1182 CE2 PHE 74 -2.946 -20.549 18.134 1.00 55.15 ATOM 1183 HE2 PHE 74 -3.184 -19.669 17.555 1.00 11.33 ATOM 1184 CZ PHE 74 -2.231 -20.430 19.309 1.00 64.34 ATOM 1185 HZ PHE 74 -1.911 -19.459 19.652 1.00 45.51 ATOM 1186 C PHE 74 -5.575 -25.647 17.586 1.00 74.22 ATOM 1187 O PHE 74 -6.634 -25.291 17.069 1.00 2.12 ATOM 1188 N GLU 75 -5.007 -26.823 17.336 1.00 0.24 ATOM 1189 HN GLU 75 -4.143 -27.031 17.761 1.00 38.16 ATOM 1190 CA GLU 75 -5.610 -27.783 16.419 1.00 44.42 ATOM 1191 HA GLU 75 -5.665 -27.324 15.441 1.00 53.24 ATOM 1192 CB GLU 75 -4.746 -29.042 16.324 1.00 73.32 ATOM 1193 HB1 GLU 75 -3.803 -28.792 15.879 1.00 38.16 ATOM 1194 HB2 GLU 75 -5.245 -29.762 15.687 1.00 50.34 ATOM 1195 CG GLU 75 -4.477 -29.698 17.668 1.00 64.14 ATOM 1196 HG1 GLU 75 -5.413 -29.930 18.147 1.00 38.16 ATOM 1197 HG2 GLU 75 -3.926 -29.017 18.276 1.00 11.11 ATOM 1198 CD GLU 75 -3.685 -30.985 17.540 1.00 32.32 ATOM 1199 OE1 GLU 75 -4.279 -32.011 17.147 1.00 44.15 ATOM 1200 OE2 GLU 75 -2.471 -30.966 17.834 1.00 35.24 ATOM 1201 C GLU 75 -7.021 -28.152 16.868 1.00 65.35 ATOM 1202 O GLU 75 -7.911 -28.359 16.044 1.00 62.24 ATOM 1203 N MET 76 -7.215 -28.234 18.180 1.00 54.24 ATOM 1204 HN MET 76 -6.459 -28.082 18.794 1.00 38.16 ATOM 1205 CA MET 76 -8.518 -28.578 18.738 1.00 3.14 ATOM 1206 HA MET 76 -8.762 -29.573 18.398 1.00 24.20 ATOM 1207 CB MET 76 -8.466 -28.542 20.267 1.00 13.20 ATOM 1208 HB1 MET 76 -9.358 -28.072 20.655 1.00 38.16 ATOM 1209 HB2 MET 76 -7.625 -27.946 20.581 1.00 71.00 ATOM 1210 CG MET 76 -8.335 -29.916 20.903 1.00 33.13 ATOM 1211 HG1 MET 76 -8.170 -29.790 21.963 1.00 38.16 ATOM 1212 HG2 MET 76 -7.487 -30.425 20.468 1.00 53.04 ATOM 1213 SD MET 76 -9.804 -30.934 20.666 1.00 73.31 ATOM 1214 CE MET 76 -11.059 -29.899 21.416 1.00 24.25 ATOM 1215 HE1 MET 76 -10.689 -29.504 22.351 1.00 65.33 ATOM 1216 HE2 MET 76 -11.946 -30.487 21.600 1.00 30.12 ATOM 1217 HE3 MET 76 -11.301 -29.084 20.750 1.00 25.11 ATOM 1218 C MET 76 -9.596 -27.625 18.232 1.00 63.13 ATOM 1219 O MET 76 -10.646 -28.057 17.758 1.00 70.13 ATOM 1220 N ALA 77 -9.329 -26.327 18.335 1.00 25.44 ATOM 1221 HN ALA 77 -8.469 -26.041 18.727 1.00 38.16 ATOM 1222 CA ALA 77 -10.275 -25.314 17.886 1.00 72.21 ATOM 1223 HA ALA 77 -11.197 -25.444 18.438 1.00 75.11 ATOM 1224 CB ALA 77 -9.741 -23.922 18.188 1.00 11.11 ATOM 1225 HB1 ALA 77 -8.775 -23.799 17.721 1.00 3.33 ATOM 1226 HB2 ALA 77 -9.642 -23.797 19.255 1.00 12.01 ATOM 1227 HB3 ALA 77 -10.424 -23.184 17.796 1.00 13.35 ATOM 1228 C ALA 77 -10.568 -25.459 16.396 1.00 1.24 ATOM 1229 O ALA 77 -11.713 -25.330 15.963 1.00 10.11 ATOM 1230 N VAL 78 -9.525 -25.727 15.616 1.00 14.53 ATOM 1231 HN VAL 78 -8.635 -25.826 16.023 1.00 38.16 ATOM 1232 CA VAL 78 -9.671 -25.889 14.175 1.00 51.13 ATOM 1233 HA VAL 78 -10.000 -24.943 13.762 1.00 31.33 ATOM 1234 CB VAL 78 -8.332 -26.269 13.515 1.00 53.45 ATOM 1235 HB VAL 78 -7.989 -27.199 13.939 1.00 4.11 ATOM 1236 CG1 VAL 78 -8.514 -26.473 12.018 1.00 5.12 ATOM 1237 HG11 VAL 78 -9.048 -27.394 11.841 1.00 61.04 ATOM 1238 HG12 VAL 78 -7.548 -26.534 11.537 1.00 52.42 ATOM 1239 HG13 VAL 78 -9.069 -25.657 11.607 1.00 2.14 ATOM 1240 CG2 VAL 78 -7.281 -25.205 13.792 1.00 12.52 ATOM 1241 HG21 VAL 78 -7.660 -24.243 13.509 1.00 73.41 ATOM 1242 HG22 VAL 78 -6.410 -25.423 13.205 1.00 30.52 ATOM 1243 HG23 VAL 78 -7.021 -25.203 14.829 1.00 33.22 ATOM 1244 C VAL 78 -10.709 -26.956 13.844 1.00 42.31 ATOM 1245 O VAL 78 -11.471 -26.819 12.887 1.00 24.41 ATOM 1246 N ALA 79 -10.733 -28.018 14.642 1.00 1.35 ATOM 1247 HN ALA 79 -10.093 -28.081 15.390 1.00 38.16 ATOM 1248 CA ALA 79 -11.679 -29.107 14.436 1.00 21.23 ATOM 1249 HA ALA 79 -11.656 -29.388 13.390 1.00 31.10 ATOM 1250 CB ALA 79 -11.269 -30.324 15.253 1.00 12.32 ATOM 1251 HB1 ALA 79 -11.303 -30.084 16.307 1.00 14.05 ATOM 1252 HB2 ALA 79 -10.263 -30.612 14.985 1.00 55.11 ATOM 1253 HB3 ALA 79 -11.943 -31.144 15.048 1.00 0.33 ATOM 1254 C ALA 79 -13.097 -28.679 14.797 1.00 11.52 ATOM 1255 O ALA 79 -14.073 -29.254 14.314 1.00 2.35 ATOM 1256 N LYS 80 -13.205 -27.665 15.650 1.00 61.12 ATOM 1257 HN LYS 80 -12.403 -27.257 16.025 1.00 38.16 ATOM 1258 CA LYS 80 -14.504 -27.158 16.076 1.00 61.01 ATOM 1259 HA LYS 80 -15.204 -27.985 16.117 1.00 75.33 ATOM 1260 CB LYS 80 -14.400 -26.542 17.473 1.00 55.21 ATOM 1261 HB1 LYS 80 -13.573 -25.847 17.485 1.00 38.16 ATOM 1262 HB2 LYS 80 -14.206 -27.332 18.185 1.00 45.41 ATOM 1263 CG LYS 80 -15.655 -25.803 17.906 1.00 2.11 ATOM 1264 HG1 LYS 80 -16.464 -26.517 17.956 1.00 38.16 ATOM 1265 HG2 LYS 80 -15.907 -25.045 17.184 1.00 54.34 ATOM 1266 CD LYS 80 -15.486 -25.175 19.279 1.00 3.43 ATOM 1267 HD1 LYS 80 -14.552 -25.486 19.711 1.00 38.16 ATOM 1268 HD2 LYS 80 -16.298 -25.498 19.912 1.00 12.44 ATOM 1269 CE LYS 80 -15.504 -23.656 19.203 1.00 14.43 ATOM 1270 HE1 LYS 80 -15.304 -23.257 20.187 1.00 38.16 ATOM 1271 HE2 LYS 80 -16.483 -23.336 18.878 1.00 3.52 ATOM 1272 NZ LYS 80 -14.484 -23.135 18.252 1.00 24.22 ATOM 1273 HZ1 LYS 80 -13.530 -23.368 18.592 1.00 30.03 ATOM 1274 HZ2 LYS 80 -14.579 -22.108 18.167 1.00 51.35 ATOM 1275 HZ3 LYS 80 -14.606 -23.536 17.304 1.00 10.43 ATOM 1276 C LYS 80 -15.034 -26.122 15.090 1.00 43.13 ATOM 1277 O LYS 80 -16.180 -26.200 14.648 1.00 13.35 ATOM 1278 N VAL 81 -14.191 -25.153 14.747 1.00 40.14 ATOM 1279 HN VAL 81 -13.281 -25.154 15.121 1.00 38.16 ATOM 1280 CA VAL 81 -14.574 -24.103 13.810 1.00 3.23 ATOM 1281 HA VAL 81 -15.480 -23.634 14.177 1.00 12.03 ATOM 1282 CB VAL 81 -13.481 -23.023 13.701 1.00 12.41 ATOM 1283 HB VAL 81 -12.569 -23.490 13.354 1.00 62.01 ATOM 1284 CG1 VAL 81 -13.883 -21.957 12.693 1.00 44.03 ATOM 1285 HG11 VAL 81 -14.882 -21.601 12.909 1.00 21.50 ATOM 1286 HG12 VAL 81 -13.854 -22.370 11.700 1.00 53.12 ATOM 1287 HG13 VAL 81 -13.191 -21.126 12.744 1.00 61.22 ATOM 1288 CG2 VAL 81 -13.207 -22.403 15.063 1.00 21.21 ATOM 1289 HG21 VAL 81 -12.437 -21.649 14.970 1.00 65.22 ATOM 1290 HG22 VAL 81 -12.874 -23.162 15.753 1.00 42.52 ATOM 1291 HG23 VAL 81 -14.110 -21.945 15.442 1.00 11.25 ATOM 1292 C VAL 81 -14.847 -24.675 12.424 1.00 33.42 ATOM 1293 O VAL 81 -15.628 -24.117 11.654 1.00 30.10 ATOM 1294 N MET 82 -14.200 -25.793 12.113 1.00 25.55 ATOM 1295 HN MET 82 -13.566 -26.191 12.752 1.00 38.16 ATOM 1296 CA MET 82 -14.375 -26.443 10.820 1.00 64.33 ATOM 1297 HA MET 82 -14.805 -25.737 10.123 1.00 43.21 ATOM 1298 CB MET 82 -13.025 -26.915 10.275 1.00 0.20 ATOM 1299 HB1 MET 82 -13.187 -27.475 9.361 1.00 38.16 ATOM 1300 HB2 MET 82 -12.566 -27.568 10.996 1.00 71.45 ATOM 1301 CG MET 82 -12.063 -25.779 9.968 1.00 51.40 ATOM 1302 HG1 MET 82 -11.099 -26.200 9.720 1.00 38.16 ATOM 1303 HG2 MET 82 -11.963 -25.158 10.847 1.00 50.21 ATOM 1304 SD MET 82 -12.619 -24.750 8.596 1.00 40.43 ATOM 1305 CE MET 82 -12.033 -25.704 7.198 1.00 41.12 ATOM 1306 HE1 MET 82 -12.323 -26.737 7.320 1.00 60.14 ATOM 1307 HE2 MET 82 -10.958 -25.635 7.140 1.00 31.44 ATOM 1308 HE3 MET 82 -12.467 -25.314 6.289 1.00 4.13 ATOM 1309 C MET 82 -15.333 -27.625 10.930 1.00 25.32 ATOM 1310 O MET 82 -15.982 -28.001 9.955 1.00 34.42 ATOM 1311 N GLN 83 -15.414 -28.206 12.123 1.00 3.10 ATOM 1312 HN GLN 83 -14.872 -27.886 12.871 1.00 38.16 ATOM 1313 CA GLN 83 -16.292 -29.346 12.359 1.00 42.20 ATOM 1314 HA GLN 83 -16.145 -29.682 13.373 1.00 50.20 ATOM 1315 CB GLN 83 -17.754 -28.936 12.176 1.00 73.53 ATOM 1316 HB1 GLN 83 -18.353 -29.822 12.000 1.00 38.16 ATOM 1317 HB2 GLN 83 -17.855 -28.284 11.326 1.00 11.42 ATOM 1318 CG GLN 83 -18.342 -28.224 13.383 1.00 74.00 ATOM 1319 HG1 GLN 83 -17.986 -27.206 13.384 1.00 38.16 ATOM 1320 HG2 GLN 83 -18.008 -28.721 14.286 1.00 74.23 ATOM 1321 CD GLN 83 -19.858 -28.199 13.365 1.00 71.13 ATOM 1322 OE1 GLN 83 -20.474 -27.922 12.335 1.00 64.44 ATOM 1323 NE2 GLN 83 -20.469 -28.489 14.507 1.00 11.05 ATOM 1324 HE21 GLN 83 -19.929 -28.703 15.301 1.00 11.43 ATOM 1325 HE22 GLN 83 -21.449 -28.478 14.514 1.00 1.54 ATOM 1326 C GLN 83 -15.952 -30.498 11.419 1.00 35.12 ATOM 1327 O GLN 83 -16.809 -31.320 11.093 1.00 61.32 ATOM 1328 N LYS 84 -14.697 -30.552 10.986 1.00 34.05 ATOM 1329 HN LYS 84 -14.029 -29.912 11.320 1.00 38.16 ATOM 1330 CA LYS 84 -14.243 -31.604 10.085 1.00 50.35 ATOM 1331 HA LYS 84 -15.099 -31.988 9.537 1.00 22.02 ATOM 1332 CB LYS 84 -13.240 -31.040 9.076 1.00 64.54 ATOM 1333 HB1 LYS 84 -12.758 -31.856 8.547 1.00 38.16 ATOM 1334 HB2 LYS 84 -12.485 -30.487 9.617 1.00 13.54 ATOM 1335 CG LYS 84 -13.863 -30.103 8.056 1.00 32.02 ATOM 1336 HG1 LYS 84 -13.084 -29.480 7.640 1.00 38.16 ATOM 1337 HG2 LYS 84 -14.597 -29.477 8.545 1.00 71.14 ATOM 1338 CD LYS 84 -14.530 -30.871 6.927 1.00 0.11 ATOM 1339 HD1 LYS 84 -15.227 -31.587 7.344 1.00 38.16 ATOM 1340 HD2 LYS 84 -13.771 -31.394 6.365 1.00 41.24 ATOM 1341 CE LYS 84 -15.282 -29.940 5.988 1.00 65.12 ATOM 1342 HE1 LYS 84 -15.385 -30.432 5.032 1.00 38.16 ATOM 1343 HE2 LYS 84 -14.722 -29.023 5.855 1.00 35.34 ATOM 1344 NZ LYS 84 -16.640 -29.611 6.503 1.00 44.15 ATOM 1345 HZ1 LYS 84 -16.572 -29.138 7.429 1.00 50.55 ATOM 1346 HZ2 LYS 84 -17.207 -30.477 6.609 1.00 51.24 ATOM 1347 HZ3 LYS 84 -17.126 -28.975 5.839 1.00 12.14 ATOM 1348 C LYS 84 -13.607 -32.751 10.863 1.00 35.21 ATOM 1349 O LYS 84 -12.864 -32.529 11.819 1.00 41.43 ATOM 1350 N ASP 85 -13.904 -33.978 10.447 1.00 1.45 ATOM 1351 HN ASP 85 -14.511 -34.102 9.681 1.00 38.16 ATOM 1352 CA ASP 85 -13.359 -35.160 11.105 1.00 71.15 ATOM 1353 HA ASP 85 -12.614 -34.857 11.832 1.00 0.02 ATOM 1354 CB ASP 85 -14.467 -35.919 11.837 1.00 51.15 ATOM 1355 HB1 ASP 85 -14.050 -36.800 12.306 1.00 38.16 ATOM 1356 HB2 ASP 85 -15.223 -36.219 11.126 1.00 10.02 ATOM 1357 CG ASP 85 -15.131 -35.080 12.911 1.00 72.14 ATOM 1358 OD1 ASP 85 -16.094 -34.355 12.586 1.00 52.14 ATOM 1359 OD2 ASP 85 -14.687 -35.148 14.076 1.00 33.22 ATOM 1360 C ASP 85 -12.679 -36.078 10.094 1.00 24.20 ATOM 1361 O ASP 85 -13.242 -37.093 9.684 1.00 13.05 ATOM 1362 N SER 86 -11.464 -35.714 9.695 1.00 30.14 ATOM 1363 HN SER 86 -11.055 -34.898 10.072 1.00 38.16 ATOM 1364 HA SER 86 -11.402 -36.937 8.019 1.00 21.42 ATOM 1365 CB SER 86 -9.731 -35.609 7.963 1.00 3.23 ATOM 1366 HB1 SER 86 -9.407 -36.119 7.068 1.00 38.16 ATOM 1367 HB2 SER 86 -8.871 -35.386 8.582 1.00 2.43 ATOM 1368 OG SER 86 -10.341 -34.384 7.595 1.00 63.05 ATOM 1369 HG SER 86 -10.878 -34.513 6.809 1.00 51.34 ATOM 1370 CA SER 86 -10.708 -36.502 8.729 1.00 74.31 ATOM 1371 C SER 86 -9.949 -37.629 9.422 1.00 20.42 ATOM 1372 OT1 SER 86 -9.168 -37.336 10.355 1.00 38.16 ATOM 1373 OT2 SER 86 -10.140 -38.800 9.028 1.00 38.16 ATOM 1374 OH2 TIP3 1 -15.805 -30.345 -0.330 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -15.605 -29.921 -1.165 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -15.149 -30.002 0.277 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -15.440 -33.062 -0.724 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -16.222 -33.248 -1.244 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -15.512 -32.133 -0.507 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -19.890 -39.176 8.162 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -19.801 -38.232 8.030 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -20.529 -39.451 7.504 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -20.957 -39.921 11.581 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -20.995 -40.567 12.286 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -21.280 -40.387 10.810 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -22.568 -37.488 11.987 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -22.264 -38.174 11.393 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -21.846 -37.370 12.605 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -20.093 -36.575 7.205 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -20.389 -36.897 6.354 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -20.417 -35.675 7.247 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -17.328 -35.460 7.365 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -17.585 -36.150 6.753 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -17.257 -35.903 8.210 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -13.800 -40.554 13.908 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -14.452 -39.859 13.997 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -13.335 -40.344 13.098 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -17.763 -39.722 6.566 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -18.495 -39.494 7.139 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -17.316 -40.436 7.021 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -17.866 -41.548 15.634 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -17.786 -40.785 16.206 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -18.467 -41.269 14.943 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -21.166 -33.823 7.686 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -20.692 -33.528 8.464 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -21.729 -33.085 7.453 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -14.004 -34.444 2.441 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -13.931 -33.505 2.611 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -13.099 -34.749 2.384 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -22.108 -34.639 16.295 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -22.021 -33.813 16.770 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -22.972 -34.969 16.544 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -21.694 -30.867 6.101 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -21.769 -30.988 5.155 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -21.661 -29.917 6.220 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -18.592 -31.713 3.104 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -18.217 -32.457 2.633 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -18.588 -31.983 4.022 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -15.805 -30.345 18.526 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -15.605 -29.921 17.691 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -15.149 -30.002 19.133 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.487 -37.679 16.208 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.833 -38.060 17.014 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -21.687 -36.745 16.279 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -19.237 -35.217 16.158 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.138 -35.034 15.890 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -19.203 -34.958 17.079 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -13.506 -42.972 4.525 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -14.060 -43.368 3.853 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -13.405 -42.062 4.248 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -13.542 -37.172 17.362 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -14.394 -36.934 16.995 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -12.952 -37.189 16.609 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -18.050 -39.378 12.012 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -18.978 -39.610 11.985 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -17.599 -40.155 11.682 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -23.565 -33.238 14.036 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -23.202 -32.383 13.803 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -23.033 -33.530 14.777 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -20.021 -37.139 13.737 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -20.447 -37.366 14.563 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -19.440 -37.877 13.554 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -17.818 -36.210 2.811 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -17.465 -36.590 3.615 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -18.767 -36.303 2.897 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -17.362 -32.587 16.206 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -17.964 -33.142 15.711 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -17.081 -31.920 15.580 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -16.952 -37.537 5.037 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -17.229 -38.265 5.593 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -16.025 -37.418 5.243 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.052 -33.830 4.463 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -22.869 -33.333 4.516 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -21.523 -33.355 3.823 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.179 -41.589 10.551 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -17.976 -42.004 10.222 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -16.734 -42.280 11.042 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -19.204 -34.363 18.750 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.555 -35.219 18.993 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -18.478 -34.220 19.357 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.085 -33.418 1.630 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -16.802 -34.212 2.083 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -16.345 -33.185 1.069 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.081 -37.966 16.171 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -17.336 -37.378 16.051 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.838 -37.384 16.234 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -17.626 -39.875 18.070 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.907 -39.166 17.492 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.683 -39.948 17.919 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -15.362 -36.326 19.962 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -16.228 -36.431 20.356 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -14.986 -35.567 20.409 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -14.061 -38.069 5.476 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.211 -37.648 5.604 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -14.056 -38.809 6.084 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -13.399 -40.115 3.691 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.920 -39.758 2.972 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -13.432 -39.440 4.369 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -15.880 -41.495 7.863 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -16.030 -42.440 7.843 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -16.234 -41.214 8.707 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.024 -39.525 17.502 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -14.441 -40.259 17.693 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -14.460 -38.753 17.548 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -13.527 -41.622 18.186 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -14.390 -42.001 18.021 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -12.923 -42.361 18.112 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -15.558 -43.331 11.761 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -14.625 -43.119 11.727 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -15.793 -43.229 12.684 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -15.529 -42.594 14.537 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -16.372 -42.326 14.903 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -15.086 -41.772 14.326 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -26.299 -33.689 14.776 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -26.724 -32.880 14.493 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -25.394 -33.604 14.474 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -21.988 -32.290 17.735 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -21.803 -32.624 18.613 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -21.141 -31.981 17.413 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -26.430 -30.833 13.853 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -27.295 -30.761 14.257 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -26.485 -30.286 13.069 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -24.804 -32.630 11.237 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -24.591 -33.518 10.950 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -24.739 -32.664 12.192 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -21.367 -31.376 3.302 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -20.501 -31.010 3.124 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -21.614 -31.816 2.489 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.440 -33.062 18.132 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -16.222 -33.248 17.612 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -15.512 -32.133 18.349 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -20.140 -31.877 28.951 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -19.520 -32.554 28.678 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -20.348 -32.095 29.859 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -16.739 -35.142 31.087 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -17.681 -35.084 31.248 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -16.463 -34.236 30.950 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.487 -33.361 27.712 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -18.062 -34.068 27.227 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.170 -32.560 27.295 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -14.004 -34.444 21.297 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -13.931 -33.505 21.467 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.099 -34.749 21.240 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -18.592 -31.713 21.960 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -18.217 -32.457 21.489 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -18.588 -31.983 22.878 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -18.923 -31.787 24.709 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -19.858 -31.687 24.888 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -18.643 -32.496 25.287 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -15.210 -34.186 23.846 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -15.583 -35.012 24.156 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -14.933 -34.369 22.949 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -17.362 -32.587 35.062 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -17.964 -33.142 34.567 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -17.081 -31.920 34.436 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -16.092 -32.333 31.029 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -16.248 -31.655 30.372 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -15.160 -32.261 31.232 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -21.689 -33.235 20.252 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -22.333 -33.866 20.574 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -20.927 -33.766 20.020 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -17.085 -33.418 20.486 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -16.802 -34.212 20.939 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -16.345 -33.185 19.925 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -14.520 -38.938 20.357 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -14.793 -39.363 19.544 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -14.480 -38.007 20.140 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -13.813 -32.116 34.180 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -14.300 -32.851 33.809 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -13.264 -32.509 34.858 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -15.421 -34.353 33.411 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -16.069 -34.028 34.036 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -15.939 -34.793 32.736 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -16.638 -31.593 26.830 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -15.985 -31.940 26.222 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -16.127 -31.104 27.476 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -19.392 -32.067 32.830 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -20.296 -31.902 32.564 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -18.963 -31.214 32.764 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -16.787 -30.497 33.125 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -16.969 -29.581 32.914 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -16.611 -30.907 32.278 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -14.658 -31.813 24.838 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -14.852 -32.561 24.273 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -14.697 -31.055 24.254 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -13.513 -25.553 -3.772 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -14.202 -24.895 -3.867 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -13.498 -25.750 -2.835 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -15.642 -18.038 -3.014 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -15.502 -18.629 -3.753 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -15.474 -17.165 -3.370 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -13.800 -21.698 -4.948 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -14.452 -21.003 -4.859 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -13.335 -21.488 -5.758 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -13.087 -15.357 -1.437 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -13.136 -16.312 -1.474 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -13.913 -15.089 -1.035 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.935 -23.864 -0.957 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.342 -23.383 -1.677 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -15.894 -24.769 -1.264 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -15.805 -11.489 -0.330 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -15.605 -11.065 -1.165 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -15.149 -11.146 0.277 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.542 -18.316 -1.494 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -14.394 -18.078 -1.861 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -12.952 -18.333 -2.247 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -17.362 -13.731 -2.650 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -17.964 -14.286 -3.145 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -17.081 -13.064 -3.276 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.781 -26.484 -2.401 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -16.697 -26.221 -2.489 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.445 -26.487 -3.298 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -16.092 -13.477 -6.683 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -16.248 -12.799 -7.340 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -15.160 -13.405 -6.480 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -19.204 -15.507 -0.106 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -19.555 -16.363 0.137 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -18.478 -15.364 0.501 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -18.942 -23.808 1.136 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -18.750 -24.739 1.025 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -18.085 -23.383 1.126 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -17.626 -21.019 -0.786 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -17.907 -20.310 -1.364 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -16.683 -21.092 -0.937 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -18.520 -27.523 0.944 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -18.617 -28.475 0.938 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -18.842 -27.254 1.805 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.376 -12.827 -6.454 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -13.398 -12.642 -5.515 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -12.686 -12.258 -6.795 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -13.813 -13.260 -3.532 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.300 -13.995 -3.903 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -13.264 -13.653 -2.854 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -13.908 -18.375 -6.608 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.074 -18.753 -6.889 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -13.796 -17.432 -6.727 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.421 -15.497 -4.301 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -16.069 -15.172 -3.676 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.939 -15.937 -4.976 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -15.024 -20.669 -1.354 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -14.441 -21.403 -1.163 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -14.460 -19.897 -1.308 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -13.527 -22.766 -0.670 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -14.390 -23.145 -0.835 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -12.923 -23.505 -0.744 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -15.529 -23.738 -4.319 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -16.372 -23.470 -3.953 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.086 -22.916 -4.530 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -13.246 -29.758 1.035 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -12.896 -30.412 0.429 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -13.099 -28.921 0.595 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -13.726 -27.649 -0.616 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -14.643 -27.378 -0.652 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -13.603 -28.184 -1.400 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -19.643 -12.149 -1.877 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -18.966 -12.781 -2.117 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -19.321 -11.747 -1.069 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -14.725 -29.559 -2.797 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -15.538 -29.234 -3.185 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -14.492 -30.319 -3.330 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -16.787 -11.641 -4.587 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -16.969 -10.725 -4.798 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.611 -12.051 -5.434 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -18.616 -30.279 0.583 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.540 -30.705 1.437 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -17.723 -30.265 0.241 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -15.440 -14.206 -0.724 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -16.222 -14.392 -1.244 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -15.512 -13.277 -0.507 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -19.890 -20.320 8.162 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -19.801 -19.376 8.030 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -20.529 -20.595 7.504 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.957 -21.065 11.581 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -20.995 -21.711 12.286 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -21.280 -21.531 10.810 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -20.140 -13.021 10.095 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -19.520 -13.698 9.822 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -20.348 -13.239 11.003 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -26.272 -26.137 9.587 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -26.229 -25.277 9.169 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -26.730 -26.689 8.954 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -24.496 -22.190 9.565 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -23.880 -22.716 10.074 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -25.082 -22.830 9.161 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -27.462 -27.219 13.661 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -27.681 -26.689 12.895 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -28.130 -26.992 14.309 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -20.093 -17.719 7.205 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -20.389 -18.041 6.354 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -20.417 -16.819 7.247 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -27.868 -25.327 11.614 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -27.255 -24.694 11.987 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -27.356 -25.799 10.957 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -16.739 -16.286 12.231 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -17.681 -16.228 12.392 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -16.463 -15.380 12.094 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -18.487 -14.505 8.856 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -18.062 -15.212 8.371 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -18.170 -13.704 8.439 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -17.328 -16.604 7.365 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -17.585 -17.294 6.753 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -17.257 -17.047 8.210 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.642 -18.038 15.842 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.502 -18.629 15.103 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -15.474 -17.165 15.486 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -21.169 -21.076 5.614 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -21.881 -20.541 5.263 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -20.478 -21.020 4.954 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -17.763 -20.866 6.566 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -18.495 -20.638 7.139 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -17.316 -21.580 7.021 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -17.866 -22.692 15.634 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -17.786 -21.929 16.206 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.467 -22.413 14.943 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -19.442 -15.964 12.816 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -19.683 -15.302 13.464 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -19.640 -16.798 13.241 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -18.892 -21.704 4.251 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -18.313 -21.554 4.998 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -18.478 -21.233 3.528 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -18.592 -12.857 3.104 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -18.217 -13.601 2.633 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -18.588 -13.127 4.022 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -18.923 -12.931 5.853 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -19.858 -12.831 6.032 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -18.643 -13.640 6.431 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -26.167 -29.010 11.892 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -27.028 -29.097 11.484 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -26.189 -28.154 12.319 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.415 -20.671 1.881 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.373 -20.894 0.951 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -16.566 -20.273 2.071 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -21.842 -26.795 2.551 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -22.096 -26.776 3.474 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -22.099 -27.667 2.250 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -26.076 -24.044 12.987 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -26.718 -24.085 13.696 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -26.039 -23.118 12.749 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -20.543 -23.407 6.716 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -20.952 -22.592 6.424 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -19.823 -23.547 6.101 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -21.441 -23.232 18.204 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -22.004 -23.936 18.524 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -20.615 -23.352 18.671 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -19.539 -23.961 9.530 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -19.734 -23.356 8.815 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -19.357 -24.795 9.095 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -20.275 -22.323 14.201 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -19.951 -22.954 13.558 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -20.715 -22.858 14.862 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -23.497 -26.396 8.985 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -24.408 -26.339 9.274 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -22.992 -26.456 9.796 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -15.805 -11.489 18.526 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -15.605 -11.065 17.691 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -15.149 -11.146 19.133 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -22.177 -23.608 10.872 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -21.613 -24.155 10.325 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -22.325 -24.130 11.661 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -23.551 -25.220 13.286 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -24.386 -24.766 13.396 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -23.027 -24.944 14.038 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -19.109 -26.193 3.170 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -20.047 -26.081 3.019 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -18.812 -25.336 3.476 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -18.391 -24.326 4.831 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -17.499 -24.463 5.150 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -18.334 -23.535 4.294 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -19.237 -16.361 16.158 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -20.138 -16.178 15.890 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -19.203 -16.102 17.079 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -20.021 -18.283 13.737 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -20.447 -18.510 14.563 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -19.440 -19.021 13.554 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -17.818 -17.354 2.811 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -17.465 -17.734 3.615 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -18.767 -17.447 2.897 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -17.362 -13.731 16.206 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -17.964 -14.286 15.711 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -17.081 -13.064 15.580 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -13.314 -12.874 3.012 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -12.571 -12.288 2.872 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -14.009 -12.306 3.345 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -16.952 -18.681 5.037 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -17.229 -19.409 5.593 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -16.025 -18.562 5.243 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -19.721 -27.105 5.600 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.501 -26.633 4.797 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -19.163 -26.710 6.271 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -22.521 -25.377 6.435 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -21.709 -24.873 6.481 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -22.766 -25.522 7.349 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -21.985 -24.391 15.620 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -21.866 -23.817 16.377 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -21.330 -25.079 15.735 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -21.637 -28.296 7.373 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -21.984 -27.678 8.018 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -20.979 -27.795 6.892 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -16.092 -13.477 12.173 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -16.248 -12.799 11.516 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -15.160 -13.405 12.376 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.204 -15.507 18.750 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.555 -16.363 18.993 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -18.478 -15.364 19.357 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -17.085 -14.562 1.630 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -16.802 -15.356 2.083 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.345 -14.329 1.069 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -18.081 -19.110 16.171 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.336 -18.522 16.051 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.838 -18.528 16.234 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -25.692 -22.787 16.149 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -26.310 -22.112 16.430 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -25.348 -22.466 15.316 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.672 -20.316 19.427 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -19.719 -20.232 19.399 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.832 -21.027 20.046 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -25.352 -25.432 17.232 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -25.202 -26.161 16.629 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -25.350 -24.655 16.673 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -24.940 -27.062 14.724 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -24.404 -26.611 14.072 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -25.792 -27.170 14.302 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -23.358 -21.623 14.964 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -22.607 -21.779 14.391 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -23.697 -20.771 14.688 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.870 -25.284 18.719 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -23.106 -25.504 19.621 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -23.653 -25.491 18.210 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -20.154 -26.157 17.795 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -21.102 -26.125 17.927 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -19.842 -26.782 18.449 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -23.912 -30.312 17.827 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -23.200 -30.952 17.813 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -24.013 -30.045 16.913 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -23.559 -28.629 19.881 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -23.690 -29.105 19.060 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -24.158 -27.885 19.825 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.421 -15.497 14.555 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.069 -15.172 15.180 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.939 -15.937 13.880 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.802 -26.611 1.359 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.192 -26.983 1.996 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -16.639 -27.033 1.555 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -16.170 -25.056 6.325 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -15.890 -25.963 6.450 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -15.411 -24.622 5.936 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -19.392 -13.211 13.974 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -20.296 -13.046 13.708 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -18.963 -12.358 13.908 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.787 -11.641 14.269 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.969 -10.725 14.058 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -16.611 -12.051 13.422 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -24.389 -29.549 8.017 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -23.515 -29.161 7.987 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -24.525 -29.764 8.940 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -23.245 -27.469 4.907 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -23.067 -28.115 5.590 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -23.299 -26.635 5.374 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -18.616 -30.279 19.439 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -18.540 -30.705 20.293 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -17.723 -30.265 19.097 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -15.440 -14.206 18.132 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.222 -14.392 17.612 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -15.512 -13.277 18.349 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.890 -20.320 27.018 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -19.801 -19.376 26.886 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -20.529 -20.595 26.360 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -17.251 -18.126 28.739 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -17.692 -18.846 29.189 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -17.264 -17.405 29.369 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.427 -24.238 31.171 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.284 -25.185 31.191 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.533 -24.031 30.242 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -18.550 -26.006 26.844 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -17.904 -26.335 27.469 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -18.040 -25.488 26.221 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -20.093 -17.719 26.061 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -20.389 -18.041 25.210 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -20.417 -16.819 26.103 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -16.739 -16.286 31.087 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -17.681 -16.228 31.248 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.463 -15.380 30.950 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.439 -28.000 32.504 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -17.175 -27.389 32.466 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -15.755 -27.585 31.978 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -18.487 -14.505 27.712 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -18.062 -15.212 27.227 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.170 -13.704 27.295 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -17.328 -16.604 26.221 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -17.585 -17.294 25.609 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -17.257 -17.047 27.066 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -15.642 -18.038 34.698 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -15.502 -18.629 33.959 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -15.474 -17.165 34.342 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.115 -22.618 21.509 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -20.414 -22.596 22.160 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -20.813 -23.246 20.853 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -17.763 -20.866 25.422 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -18.495 -20.638 25.995 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.316 -21.580 25.877 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.866 -22.692 34.490 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -17.786 -21.929 35.062 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -18.467 -22.413 33.799 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.892 -21.704 23.107 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.313 -21.554 23.854 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -18.478 -21.233 22.384 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -15.194 -29.954 22.920 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.093 -29.815 23.215 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -14.942 -29.123 22.518 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -13.087 -15.357 36.275 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -13.136 -16.312 36.238 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -13.913 -15.089 36.677 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -18.923 -12.931 24.709 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -19.858 -12.831 24.888 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.643 -13.640 25.287 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -15.935 -23.864 36.755 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -16.342 -23.383 36.035 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.894 -24.769 36.448 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -18.178 -25.532 34.976 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -18.692 -25.658 35.773 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -18.333 -24.620 34.731 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -21.842 -26.795 21.407 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -22.096 -26.776 22.330 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -22.099 -27.667 21.106 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -20.543 -23.407 25.572 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -20.952 -22.592 25.280 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -19.823 -23.547 24.957 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.539 -23.961 28.386 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.734 -23.356 27.671 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -19.357 -24.795 27.951 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -24.960 -26.350 20.508 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -25.391 -26.795 21.238 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -25.678 -25.978 19.996 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -19.092 -27.161 31.105 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -19.769 -27.030 31.769 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -19.578 -27.316 30.295 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -15.857 -19.874 32.613 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -15.215 -19.417 32.070 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -16.687 -19.761 32.151 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -19.109 -26.193 22.026 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -20.047 -26.081 21.875 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -18.812 -25.336 22.332 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.391 -24.326 23.687 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -17.499 -24.463 24.006 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -18.334 -23.535 23.150 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -20.881 -17.548 22.852 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.176 -16.722 23.234 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -21.584 -18.168 23.048 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -13.542 -18.316 36.218 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -14.394 -18.078 35.851 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -12.952 -18.333 35.465 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -18.050 -20.522 30.868 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -18.978 -20.754 30.841 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -17.599 -21.299 30.538 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -17.818 -17.354 21.667 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -17.465 -17.734 22.471 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -18.767 -17.447 21.753 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.952 -18.681 23.893 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -17.229 -19.409 24.449 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.025 -18.562 24.099 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -20.505 -26.757 33.359 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.807 -26.683 34.009 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -20.886 -27.621 33.514 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.721 -27.105 24.456 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -19.501 -26.633 23.653 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.163 -26.710 25.127 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -21.637 -28.296 26.229 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -21.984 -27.678 26.874 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -20.979 -27.795 25.748 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -15.781 -26.484 35.311 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.697 -26.221 35.223 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -15.445 -26.487 34.414 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -17.179 -22.733 29.407 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -17.976 -23.148 29.078 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -16.734 -23.424 29.898 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -16.092 -13.477 31.029 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -16.248 -12.799 30.372 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -15.160 -13.405 31.232 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -17.085 -14.562 20.486 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -16.802 -15.356 20.939 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -16.345 -14.329 19.925 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -20.778 -17.605 20.079 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -21.046 -17.425 20.980 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -20.984 -18.531 19.948 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -13.376 -12.827 31.258 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -13.398 -12.642 32.197 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -12.686 -12.258 30.917 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -15.362 -17.470 38.818 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -16.228 -17.575 39.212 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -14.986 -16.711 39.265 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -13.908 -18.375 31.104 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -13.074 -18.753 30.823 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -13.796 -17.432 30.985 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.421 -15.497 33.411 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -16.069 -15.172 34.036 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.939 -15.937 32.736 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.880 -22.639 26.719 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -16.030 -23.584 26.699 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -16.234 -22.358 27.563 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -15.024 -20.669 36.358 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -14.441 -21.403 36.549 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.460 -19.897 36.404 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -13.527 -22.766 37.042 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -14.390 -23.145 36.877 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -12.923 -23.505 36.968 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -15.529 -23.738 33.393 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.372 -23.470 33.759 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.086 -22.916 33.182 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.726 -27.649 37.096 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.643 -27.378 37.060 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -13.603 -28.184 36.312 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -16.638 -12.737 26.830 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -15.985 -13.084 26.222 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -16.127 -12.248 27.476 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.725 -29.559 34.915 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.538 -29.234 34.527 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.492 -30.319 34.382 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -21.295 -28.110 29.238 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -21.970 -28.739 29.493 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -20.731 -28.594 28.635 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.832 -29.519 28.522 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -18.756 -29.424 27.573 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -19.108 -30.427 28.651 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -17.479 -29.493 24.215 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -18.182 -28.879 24.005 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -17.924 -30.331 24.346 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -14.658 -12.957 24.838 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -14.852 -13.705 24.273 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -14.697 -12.199 24.254 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -14.004 -15.588 40.153 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -13.931 -14.649 40.323 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -13.099 -15.893 40.096 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -13.506 -24.116 42.237 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -14.060 -24.512 41.565 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -13.405 -23.206 41.960 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -14.520 -20.082 39.213 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -14.793 -20.507 38.400 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -14.480 -19.151 38.996 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -14.061 -19.213 43.188 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -13.211 -18.792 43.316 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -14.056 -19.953 43.796 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -13.667 -21.160 45.012 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -14.393 -21.639 45.410 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -13.086 -20.954 45.744 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.399 -21.259 41.403 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -13.920 -20.902 40.684 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -13.432 -20.584 42.081 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.050 -24.019 39.954 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -14.953 -23.352 39.274 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -15.190 -24.835 39.472 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -13.905 -8.175 -6.008 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -13.856 -7.565 -5.272 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -13.479 -7.714 -6.731 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -16.786 -7.859 -8.887 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -17.001 -8.625 -8.355 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -16.130 -7.387 -8.374 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -16.439 -9.144 -5.208 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -17.175 -8.533 -5.246 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.755 -8.729 -5.734 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -13.800 -2.842 -4.948 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -14.452 -2.147 -4.859 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -13.335 -2.632 -5.758 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -17.866 -3.836 -3.222 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -17.786 -3.073 -2.650 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.467 -3.557 -3.913 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.178 -6.676 -2.736 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -18.692 -6.802 -1.939 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.333 -5.764 -2.981 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -19.092 -8.305 -6.607 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -19.769 -8.174 -5.943 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -19.578 -8.460 -7.417 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -15.857 -1.018 -5.099 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -15.215 -0.561 -5.642 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -16.687 -0.905 -5.561 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -13.542 0.540 -1.494 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -14.394 0.778 -1.861 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -12.952 0.523 -2.247 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -20.505 -7.901 -4.353 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -19.807 -7.827 -3.703 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -20.886 -8.765 -4.198 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -18.942 -4.952 1.136 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -18.750 -5.883 1.025 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -18.085 -4.527 1.126 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -17.626 -2.163 -0.786 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.907 -1.454 -1.364 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.683 -2.236 -0.937 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -20.154 -7.301 -1.061 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -21.102 -7.269 -0.929 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -19.842 -7.926 -0.407 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -18.520 -8.667 0.944 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.617 -9.619 0.938 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -18.842 -8.398 1.805 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -15.024 -1.813 -1.354 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -14.441 -2.547 -1.163 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -14.460 -1.041 -1.308 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -15.558 -5.619 -7.095 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -14.625 -5.407 -7.129 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -15.793 -5.517 -6.172 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -15.529 -4.882 -4.319 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -16.372 -4.614 -3.953 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.086 -4.060 -4.530 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.153 -11.147 -8.362 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -15.549 -10.599 -8.863 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -17.022 -10.827 -8.602 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.616 -11.423 0.583 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -18.540 -11.849 1.437 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -17.723 -11.409 0.241 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -13.905 -8.175 12.848 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -13.856 -7.565 13.584 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -13.479 -7.714 12.125 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -13.513 -6.697 15.084 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.202 -6.039 14.989 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -13.498 -6.894 16.021 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -16.786 -7.859 9.969 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -17.001 -8.625 10.501 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -16.130 -7.387 10.482 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -16.439 -9.144 13.648 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -17.175 -8.533 13.610 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -15.755 -8.729 13.122 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.194 -11.098 4.064 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -16.093 -10.959 4.359 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -14.942 -10.267 3.662 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -17.415 -1.815 1.881 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -17.373 -2.038 0.951 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -16.566 -1.417 2.071 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -19.109 -7.337 3.170 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -20.047 -7.225 3.019 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -18.812 -6.480 3.476 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.506 -5.260 4.525 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -14.060 -5.656 3.853 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -13.405 -4.350 4.248 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.781 -7.628 16.455 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -16.697 -7.365 16.367 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -15.445 -7.631 15.558 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.520 -1.226 1.501 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -14.793 -1.651 0.688 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -14.480 -0.295 1.284 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.061 -0.357 5.476 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -13.211 0.064 5.604 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.056 -1.097 6.084 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -13.667 -2.304 7.300 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -14.393 -2.783 7.698 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -13.086 -2.098 8.032 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -13.399 -2.403 3.691 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -13.920 -2.046 2.972 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -13.432 -1.728 4.369 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.050 -5.163 2.242 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -14.953 -4.496 1.562 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -15.190 -5.979 1.760 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.802 -7.755 1.359 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -15.192 -8.127 1.996 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.639 -8.177 1.555 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -15.558 -5.619 11.761 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.625 -5.407 11.727 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -15.793 -5.517 12.684 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -13.246 -10.902 19.891 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -12.896 -11.556 19.285 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -13.099 -10.065 19.451 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -15.556 -8.937 6.374 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.374 -9.386 7.199 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.156 -9.522 5.910 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.726 -8.793 18.240 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -14.643 -8.522 18.204 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -13.603 -9.328 17.456 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.690 -8.870 2.902 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -13.277 -9.591 2.426 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -13.008 -8.200 2.960 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.725 -10.703 16.059 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.538 -10.378 15.671 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.492 -11.463 15.526 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.153 -11.147 10.494 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -15.549 -10.599 9.993 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.022 -10.827 10.254 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.426 -10.008 8.828 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -13.814 -10.522 8.301 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.043 -9.130 8.851 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -18.832 -10.663 9.666 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -18.756 -10.568 8.717 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -19.108 -11.571 9.795 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -17.479 -10.637 5.359 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -18.182 -10.023 5.149 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.924 -11.475 5.490 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -15.194 -11.098 22.920 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -16.093 -10.959 23.215 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -14.942 -10.267 22.518 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -13.690 -8.870 21.758 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -13.277 -9.591 21.282 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -13.008 -8.200 21.816 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -16.153 -11.147 29.350 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.549 -10.599 28.849 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -17.022 -10.827 29.110 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -14.426 -10.008 27.684 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -13.814 -10.522 27.157 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -14.043 -9.130 27.707 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -7.776 -33.852 -1.293 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -7.768 -33.988 -2.241 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -8.692 -33.970 -1.041 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 3.051 -30.345 -0.330 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 3.251 -29.921 -1.165 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 3.707 -30.002 0.277 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -11.522 -31.662 -0.455 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -10.982 -31.879 0.304 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -12.003 -32.468 -0.645 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -6.925 -32.743 1.165 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -6.157 -33.202 1.506 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -6.946 -32.969 0.235 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -0.348 -34.363 -0.106 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -0.699 -35.219 0.137 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 0.378 -34.220 0.501 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -10.397 -34.664 -0.339 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -11.218 -34.489 -0.799 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -10.649 -34.737 0.582 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -3.132 -32.290 -1.121 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -2.947 -32.624 -0.243 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -2.285 -31.981 -1.443 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -0.787 -31.005 -1.877 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -0.110 -31.637 -2.117 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -0.465 -30.603 -1.069 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -10.041 -30.433 -4.033 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -10.761 -29.993 -4.484 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -10.407 -30.684 -3.184 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 3.416 -33.062 -0.724 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 2.634 -33.248 -1.244 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 3.344 -32.133 -0.507 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -2.101 -39.921 11.581 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -2.139 -40.567 12.286 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -2.424 -40.387 10.810 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -9.733 -40.306 13.174 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -9.691 -40.932 13.898 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -9.030 -39.683 13.356 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 1.605 -36.982 9.883 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 1.164 -37.702 10.333 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 1.592 -36.261 10.513 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.199 -42.196 7.102 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -12.647 -41.350 7.084 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.760 -42.776 6.587 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -3.712 -37.488 11.987 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -3.408 -38.174 11.393 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -2.990 -37.370 12.605 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -7.416 -44.993 9.587 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -7.373 -44.133 9.169 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -7.874 -45.545 8.954 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -10.796 -42.596 10.349 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -10.142 -43.146 10.781 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -10.772 -42.870 9.433 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -5.640 -41.046 9.565 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -5.024 -41.572 10.074 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -6.226 -41.686 9.161 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -1.237 -36.575 7.205 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -1.533 -36.897 6.354 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -1.561 -35.675 7.247 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -6.037 -38.399 13.949 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -6.777 -37.801 14.052 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -5.323 -37.845 13.633 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -9.012 -44.183 11.614 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -8.399 -43.550 11.987 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -8.500 -44.655 10.957 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -7.629 -36.435 14.736 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -7.635 -35.556 14.358 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -8.483 -36.518 15.161 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 2.117 -35.142 12.231 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 1.175 -35.084 12.392 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 2.393 -34.236 12.094 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 0.369 -33.361 8.856 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 0.794 -34.068 8.371 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 0.686 -32.560 8.439 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 1.528 -35.460 7.365 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 1.271 -36.150 6.753 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 1.599 -35.903 8.210 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 3.214 -36.894 15.842 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 3.354 -37.485 15.103 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 3.382 -36.021 15.486 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -6.895 -40.323 12.082 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -6.330 -40.202 11.319 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -6.576 -39.686 12.721 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -6.015 -35.924 16.799 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -6.327 -35.142 17.255 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -6.665 -36.077 16.113 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -9.095 -39.726 16.028 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -9.025 -39.075 16.726 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -9.986 -39.623 15.693 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -2.310 -33.823 7.686 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -1.836 -33.528 8.464 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -2.873 -33.085 7.453 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 4.852 -34.444 2.441 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 4.925 -33.505 2.611 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 5.757 -34.749 2.384 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 5.769 -34.213 17.419 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 5.720 -35.168 17.382 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 4.943 -33.945 17.821 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -9.930 -36.336 15.896 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -9.713 -36.697 16.756 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -10.785 -36.710 15.686 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -7.220 -42.900 12.987 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -7.862 -42.941 13.696 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -7.183 -41.974 12.749 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -7.223 -42.679 7.899 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -8.116 -43.020 7.840 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -6.772 -43.056 7.143 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -9.470 -42.580 14.854 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -9.508 -42.180 15.722 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -9.961 -43.397 14.944 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -12.862 -45.464 8.704 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -12.231 -45.493 9.424 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -12.412 -45.889 7.974 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -11.587 -44.718 4.128 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -11.113 -44.127 3.543 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -12.305 -44.187 4.475 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -9.813 -43.623 7.812 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -10.702 -43.523 7.472 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -9.517 -44.465 7.466 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -6.160 -43.623 5.468 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -5.228 -43.494 5.646 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -6.375 -42.953 4.819 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -7.486 -42.428 3.035 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -8.028 -42.808 2.344 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -6.652 -42.234 2.606 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -9.351 -37.871 18.134 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -8.618 -37.617 18.695 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -10.131 -37.667 18.649 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -3.321 -42.464 10.872 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -2.757 -43.011 10.325 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -3.469 -42.986 11.661 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -8.319 -46.328 7.290 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -8.636 -47.230 7.255 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -7.538 -46.326 6.738 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -4.151 -37.863 4.971 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -4.895 -38.370 4.648 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -4.285 -37.814 5.917 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 2.999 -38.730 13.757 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 3.641 -38.273 13.214 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 2.169 -38.617 13.295 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -2.631 -37.679 16.208 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -2.977 -38.060 17.014 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -2.831 -36.745 16.279 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -2.025 -36.404 3.996 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -2.320 -35.578 4.378 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -2.728 -37.024 4.192 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -12.018 -40.107 16.055 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -11.795 -40.525 16.887 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -12.620 -40.720 15.633 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -5.001 -40.590 18.268 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -5.297 -40.756 17.373 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -4.070 -40.810 18.258 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 3.646 -34.186 4.990 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 3.273 -35.012 5.300 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 3.923 -34.369 4.093 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 0.806 -39.378 12.012 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -0.122 -39.610 11.985 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 1.257 -40.155 11.682 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -10.896 -40.188 2.732 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -10.280 -39.561 3.111 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -11.758 -39.872 3.003 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -5.224 -37.387 7.721 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -5.465 -36.462 7.763 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -5.964 -37.846 8.117 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -1.165 -37.139 13.737 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -1.591 -37.366 14.563 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -0.584 -37.877 13.554 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 1.038 -36.210 2.811 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 1.391 -36.590 3.615 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 0.089 -36.303 2.897 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 5.542 -31.730 3.012 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 6.285 -31.144 2.872 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 4.847 -31.162 3.345 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -4.871 -35.098 1.258 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -4.632 -35.846 0.710 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -5.140 -35.486 2.090 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -5.934 -35.528 3.714 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -5.787 -36.048 4.504 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -5.937 -34.621 4.020 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -9.481 -38.275 4.224 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -10.167 -37.923 4.791 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -8.958 -37.512 3.978 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -3.196 -33.830 4.463 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -4.013 -33.333 4.516 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -2.667 -33.355 3.823 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -5.858 -32.787 4.445 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -5.697 -31.987 3.944 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -6.055 -32.480 5.330 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -8.865 -35.661 3.121 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.273 -34.962 3.397 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -8.406 -36.094 2.402 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -10.549 -42.997 2.237 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -10.594 -42.058 2.416 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -11.437 -43.233 1.967 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -2.833 -33.235 1.396 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -3.477 -33.866 1.718 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -2.071 -33.766 1.164 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 1.771 -33.418 1.630 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 2.054 -34.212 2.083 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 2.511 -33.185 1.069 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -11.615 -37.852 19.355 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -11.471 -38.754 19.069 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -12.388 -37.566 18.867 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -7.274 -37.508 1.487 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -7.210 -38.302 2.018 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -6.621 -37.627 0.798 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -4.960 -37.882 18.788 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -5.288 -37.611 17.930 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -4.808 -38.823 18.700 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -1.922 -36.461 1.223 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -2.190 -36.281 2.124 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -2.128 -37.387 1.092 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 0.775 -37.966 16.171 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 1.520 -37.378 16.051 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 0.018 -37.384 16.234 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -6.125 -39.536 3.793 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -6.584 -40.020 4.479 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -5.870 -40.204 3.157 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -6.836 -41.643 16.149 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -7.454 -40.968 16.430 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -6.492 -41.322 15.316 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -1.816 -39.172 19.427 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -0.863 -39.088 19.399 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -1.976 -39.883 20.046 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -4.502 -40.479 14.964 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -3.751 -40.635 14.391 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -4.841 -39.627 14.688 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 1.230 -39.875 18.070 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 0.949 -39.166 17.492 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.173 -39.948 17.919 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -11.588 -35.966 2.540 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -10.674 -35.887 2.813 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -11.581 -36.653 1.873 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 5.043 -32.116 15.324 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 4.556 -32.851 14.953 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 5.592 -32.509 16.002 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 3.494 -36.326 19.962 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 2.628 -36.431 20.356 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 3.870 -35.567 20.409 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 4.948 -37.231 12.248 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 5.782 -37.609 11.967 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 5.060 -36.288 12.129 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 3.435 -34.353 14.555 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.787 -34.028 15.180 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 2.917 -34.793 13.880 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -11.170 -45.834 10.905 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -10.725 -46.626 11.207 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -10.704 -45.118 11.336 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -12.866 -42.835 11.974 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -12.374 -43.056 11.184 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -12.504 -41.994 12.255 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 2.218 -31.593 7.974 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 2.871 -31.940 7.366 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 2.729 -31.104 8.620 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -10.397 -34.664 18.517 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.218 -34.489 18.057 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -10.649 -34.737 19.438 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -7.443 -33.689 14.776 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -7.868 -32.880 14.493 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -6.538 -33.604 14.474 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 4.198 -31.813 5.982 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 4.004 -32.561 5.417 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 4.159 -31.055 5.398 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 3.416 -33.062 18.132 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 2.634 -33.248 17.612 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 3.344 -32.133 18.349 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -8.809 -35.856 30.565 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -9.179 -36.658 30.196 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -7.868 -36.025 30.612 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -3.712 -37.488 30.843 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -3.408 -38.174 30.249 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -2.990 -37.370 31.461 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -1.237 -36.575 26.061 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -1.533 -36.897 25.210 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -1.561 -35.675 26.103 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -11.508 -36.764 24.374 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.780 -36.535 23.485 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -11.463 -35.926 24.834 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 2.117 -35.142 31.087 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 1.175 -35.084 31.248 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 2.393 -34.236 30.950 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 0.369 -33.361 27.712 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 0.794 -34.068 27.227 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 0.686 -32.560 27.295 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 1.528 -35.460 26.221 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 1.271 -36.150 25.609 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 1.599 -35.903 27.066 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -5.895 -35.664 29.986 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -5.990 -36.242 29.229 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -5.166 -36.035 30.482 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -0.586 -34.820 31.672 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -0.827 -34.158 32.320 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -0.784 -35.654 32.097 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -2.310 -33.823 26.542 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -1.836 -33.528 27.320 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -2.873 -33.085 26.309 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 4.852 -34.444 21.297 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 4.925 -33.505 21.467 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 5.757 -34.749 21.240 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -12.428 -34.879 30.593 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.482 -35.023 30.574 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -12.541 -34.095 31.130 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -3.252 -34.639 35.151 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -3.165 -33.813 35.626 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -4.116 -34.969 35.400 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -9.184 -32.078 26.738 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -9.032 -32.426 27.617 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -10.035 -32.434 26.483 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 1.441 -39.527 20.737 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 1.483 -39.750 19.807 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 2.290 -39.129 20.927 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -4.151 -37.863 23.827 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -4.895 -38.370 23.504 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -4.285 -37.814 24.773 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -2.025 -36.404 22.852 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -2.320 -35.578 23.234 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -2.728 -37.024 23.048 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 3.646 -34.186 23.846 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 3.273 -35.012 24.156 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 3.923 -34.369 22.949 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.651 -35.050 27.001 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.124 -34.277 26.800 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.531 -34.825 26.699 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -5.224 -37.387 26.577 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -5.465 -36.462 26.619 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -5.964 -37.846 26.973 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -4.709 -33.238 32.892 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -4.346 -32.383 32.659 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -4.177 -33.530 33.633 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -6.540 -32.365 26.122 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -7.490 -32.260 26.174 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -6.189 -31.545 26.467 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 1.038 -36.210 21.667 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 1.391 -36.590 22.471 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 0.089 -36.303 21.753 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 1.494 -32.587 35.062 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 0.892 -33.142 34.567 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 1.775 -31.920 34.436 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 5.542 -31.730 21.868 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 6.285 -31.144 21.728 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 4.847 -31.162 22.201 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 1.904 -37.537 23.893 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 1.627 -38.265 24.449 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 2.831 -37.418 24.099 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -10.733 -33.549 32.904 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -10.516 -34.481 32.873 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -10.486 -33.275 33.788 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -9.481 -38.275 23.080 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -10.167 -37.923 23.647 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -8.958 -37.512 22.834 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -8.865 -35.661 21.977 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -8.273 -34.962 22.253 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -8.406 -36.094 21.258 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 2.764 -32.333 31.029 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 2.608 -31.655 30.372 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 3.696 -32.261 31.232 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -10.811 -34.275 25.927 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -11.643 -33.802 25.954 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -10.265 -33.765 25.328 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 1.771 -33.418 20.486 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 2.054 -34.212 20.939 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 2.511 -33.185 19.925 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -7.274 -37.508 20.343 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -7.210 -38.302 20.874 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -6.621 -37.627 19.654 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -6.125 -39.536 22.649 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -6.584 -40.020 23.335 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -5.870 -40.204 22.013 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -11.588 -35.966 21.396 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -10.674 -35.887 21.669 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -11.581 -36.653 20.729 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -12.069 -32.492 28.278 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -12.403 -33.373 28.450 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -11.847 -32.147 29.142 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 5.480 -31.683 31.258 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 5.458 -31.498 32.197 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 6.170 -31.114 30.917 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 2.218 -31.593 26.830 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 2.871 -31.940 26.222 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 2.729 -31.104 27.476 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -7.443 -33.689 33.632 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -7.868 -32.880 33.349 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -6.538 -33.604 33.330 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -3.132 -32.290 36.591 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -2.947 -32.624 37.469 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -2.285 -31.981 36.269 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -0.787 -31.005 35.835 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -0.110 -31.637 35.595 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -0.465 -30.603 36.643 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -10.041 -30.433 33.679 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -10.761 -29.993 33.228 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -10.407 -30.684 34.528 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -0.536 -32.067 32.830 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -1.440 -31.902 32.564 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -0.107 -31.214 32.764 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 2.069 -30.497 33.125 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 1.887 -29.581 32.914 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 2.245 -30.907 32.278 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -10.626 -31.810 30.590 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -10.645 -32.235 31.447 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -9.821 -32.128 30.181 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -8.485 -33.100 29.245 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -8.704 -34.016 29.414 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -7.661 -32.960 29.711 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 4.198 -31.813 24.838 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 4.004 -32.561 24.273 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 4.159 -31.055 24.254 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -2.101 -21.065 -7.275 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -2.139 -21.711 -6.570 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -2.424 -21.531 -8.046 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 1.605 -18.126 -8.973 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 1.164 -18.846 -8.523 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 1.592 -17.405 -8.343 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -1.284 -13.021 -8.761 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -0.664 -13.698 -9.034 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -1.492 -13.239 -7.853 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -3.712 -18.632 -6.869 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -3.408 -19.318 -7.463 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -2.990 -18.514 -6.251 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -0.571 -24.238 -6.541 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -0.428 -25.185 -6.521 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -0.677 -24.031 -7.470 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -10.796 -23.740 -8.507 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -10.142 -24.290 -8.075 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -10.772 -24.014 -9.423 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -5.640 -22.190 -9.291 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -5.024 -22.716 -8.782 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -6.226 -22.830 -9.695 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 5.343 -25.553 -3.772 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 4.654 -24.895 -3.867 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 5.358 -25.750 -2.835 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -8.606 -27.219 -5.195 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -8.825 -26.689 -5.961 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -9.274 -26.992 -4.547 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -9.012 -25.327 -7.242 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -8.399 -24.694 -6.869 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -8.500 -25.799 -7.899 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 2.117 -16.286 -6.625 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 1.175 -16.228 -6.464 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 2.393 -15.380 -6.762 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 5.056 -21.698 -4.948 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 4.404 -21.003 -4.859 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 5.521 -21.488 -5.758 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -7.262 -20.236 -10.407 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -7.592 -20.606 -11.226 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -6.674 -20.906 -10.061 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -5.895 -16.808 -7.726 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -5.990 -17.386 -8.483 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -5.166 -17.179 -7.230 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -6.895 -21.467 -6.774 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.330 -21.346 -7.537 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -6.576 -20.830 -6.135 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -0.586 -15.964 -6.040 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -0.827 -15.302 -5.392 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -0.784 -16.798 -5.615 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -12.179 -18.803 -4.003 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -12.680 -18.831 -4.818 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -12.173 -19.709 -3.693 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -12.428 -16.023 -7.119 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -11.482 -16.167 -7.138 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -12.541 -15.239 -6.582 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 5.769 -15.357 -1.437 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 5.720 -16.312 -1.474 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 4.943 -15.089 -1.035 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -9.184 -13.222 -10.974 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -9.032 -13.570 -10.095 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -10.035 -13.578 -11.229 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.311 -29.010 -6.964 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -8.172 -29.097 -7.372 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.333 -28.154 -6.537 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 0.678 -25.532 -2.736 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 0.164 -25.658 -1.939 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 0.523 -24.620 -2.981 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -7.220 -24.044 -5.869 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -7.862 -24.085 -5.160 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -7.183 -23.118 -6.107 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 3.051 -11.489 -0.330 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 3.251 -11.065 -1.165 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 3.707 -11.146 0.277 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -3.321 -23.608 -7.984 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -2.757 -24.155 -8.531 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -3.469 -24.130 -7.195 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -4.695 -25.220 -5.570 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -5.530 -24.766 -5.460 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -4.171 -24.944 -4.818 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 2.999 -19.874 -5.099 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 3.641 -19.417 -5.642 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 2.169 -19.761 -5.561 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -9.026 -19.712 -8.116 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -8.281 -19.714 -8.717 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -8.948 -20.536 -7.634 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 5.314 -18.316 -1.494 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 4.462 -18.078 -1.861 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 5.904 -18.333 -2.247 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 0.806 -20.522 -6.844 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -0.122 -20.754 -6.871 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 1.257 -21.299 -7.174 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -6.651 -16.194 -10.711 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -6.124 -15.421 -10.912 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -7.531 -15.969 -11.013 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -4.709 -14.382 -4.820 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -4.346 -13.527 -5.053 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -4.177 -14.674 -4.079 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 1.494 -13.731 -2.650 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 0.892 -14.286 -3.145 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 1.775 -13.064 -3.276 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -10.384 -26.498 -3.243 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -11.277 -26.159 -3.310 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -10.483 -27.353 -2.825 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -1.649 -26.757 -4.353 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -0.951 -26.683 -3.703 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -2.030 -27.621 -4.198 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -3.129 -24.391 -3.236 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -3.010 -23.817 -2.479 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -2.474 -25.079 -3.121 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 3.075 -26.484 -2.401 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 2.159 -26.221 -2.489 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 3.411 -26.487 -3.298 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 1.677 -22.733 -8.305 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 0.880 -23.148 -8.634 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 2.122 -23.424 -7.814 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 2.764 -13.477 -6.683 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 2.608 -12.799 -7.340 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 3.696 -13.405 -6.480 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -6.084 -27.062 -4.132 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -5.548 -26.611 -4.784 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -6.936 -27.170 -4.554 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -5.278 -29.606 -3.700 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -5.376 -28.659 -3.806 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -6.021 -29.978 -4.176 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -1.298 -26.157 -1.061 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -2.246 -26.125 -0.929 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -0.986 -26.782 -0.407 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 0.336 -27.523 0.944 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 0.239 -28.475 0.938 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 0.014 -27.254 1.805 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -5.056 -30.312 -1.029 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -4.344 -30.952 -1.043 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -5.157 -30.045 -1.943 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -4.703 -28.629 1.025 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -4.834 -29.105 0.204 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -5.302 -27.885 0.969 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -12.069 -13.636 -9.434 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -12.403 -14.517 -9.262 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -11.847 -13.291 -8.570 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 5.043 -13.260 -3.532 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 4.556 -13.995 -3.903 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 5.592 -13.653 -2.854 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 4.948 -18.375 -6.608 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 5.782 -18.753 -6.889 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 5.060 -17.432 -6.727 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 3.435 -15.497 -4.301 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.787 -15.172 -3.676 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 2.917 -15.937 -4.976 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -11.989 -20.561 -6.983 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -11.805 -20.643 -7.918 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -11.140 -20.685 -6.559 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.298 -24.475 -7.095 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 4.231 -24.263 -7.129 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 3.063 -24.373 -6.172 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 3.327 -23.738 -4.319 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 2.484 -23.470 -3.953 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 3.770 -22.916 -4.530 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -12.391 -25.290 -0.842 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -11.472 -25.412 -0.606 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -12.841 -26.040 -0.453 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 5.610 -29.758 1.035 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 5.960 -30.412 0.429 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 5.757 -28.921 0.595 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -11.170 -26.978 -7.951 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -10.725 -27.770 -7.649 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -10.704 -26.262 -7.520 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -12.866 -23.979 -6.882 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -12.374 -24.200 -7.672 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -12.504 -23.138 -6.601 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 5.130 -27.649 -0.616 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 4.213 -27.378 -0.652 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 5.253 -28.184 -1.400 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -12.589 -28.983 -4.483 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -13.254 -29.229 -3.840 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -13.032 -28.361 -5.060 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -3.132 -13.434 -1.121 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -2.947 -13.768 -0.243 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -2.285 -13.125 -1.443 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -0.787 -12.149 -1.877 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.110 -12.781 -2.117 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -0.465 -11.747 -1.069 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 4.131 -29.559 -2.797 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 3.318 -29.234 -3.185 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 4.364 -30.319 -3.330 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -2.863 -12.089 -5.827 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -3.320 -11.560 -6.481 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -2.700 -11.486 -5.102 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -0.536 -13.211 -4.882 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -1.440 -13.046 -5.148 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -0.107 -12.358 -4.948 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 2.069 -11.641 -4.587 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 1.887 -10.725 -4.798 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 2.245 -12.051 -5.434 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -8.485 -14.244 -8.467 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -8.704 -15.160 -8.298 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -7.661 -14.104 -8.001 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -5.948 -13.774 -7.619 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -5.735 -14.662 -7.906 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -5.883 -13.808 -6.664 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -10.155 -28.962 -1.135 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -10.521 -29.727 -0.692 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -9.242 -28.933 -0.848 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -8.182 -29.611 0.401 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -7.283 -29.885 0.216 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -8.568 -30.354 0.865 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 0.240 -30.279 0.583 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 0.316 -30.705 1.437 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 1.133 -30.265 0.241 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 3.416 -14.206 -0.724 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 2.634 -14.392 -1.244 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 3.344 -13.277 -0.507 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 4.852 -15.588 2.441 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.925 -14.649 2.611 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 5.757 -15.893 2.384 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -6.104 -26.350 1.652 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -6.535 -26.795 2.382 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -6.822 -25.978 1.140 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 5.542 -12.874 3.012 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 6.285 -12.288 2.872 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 4.847 -12.306 3.345 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 5.166 -27.726 2.902 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 5.579 -28.447 2.426 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 5.848 -27.056 2.960 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -1.284 -13.021 28.951 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -0.664 -13.698 28.678 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -1.492 -13.239 29.859 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 4.951 -27.031 31.704 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 5.000 -26.421 32.440 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 5.377 -26.570 30.981 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 5.343 -25.553 33.940 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 4.654 -24.895 33.845 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 5.358 -25.750 34.877 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 3.214 -18.038 34.698 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 3.354 -18.629 33.959 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 3.382 -17.165 34.342 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -6.015 -17.068 35.655 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -6.327 -16.286 36.111 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -6.665 -17.221 34.969 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.776 -14.996 36.419 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -7.768 -15.132 35.471 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -8.692 -15.114 36.671 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 3.662 -29.954 22.920 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 2.763 -29.815 23.215 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 3.914 -29.123 22.518 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -12.179 -18.803 33.709 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -12.680 -18.831 32.894 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -12.173 -19.709 34.019 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -12.428 -16.023 30.593 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -11.482 -16.167 30.574 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -12.541 -15.239 31.130 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 5.769 -15.357 36.275 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 5.720 -16.312 36.238 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 4.943 -15.089 36.677 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -3.252 -15.783 35.151 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -3.165 -14.957 35.626 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -4.116 -16.113 35.400 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -9.184 -13.222 26.738 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -9.032 -13.570 27.617 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -10.035 -13.578 26.483 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 2.921 -23.864 36.755 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 2.514 -23.383 36.035 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 2.962 -24.769 36.448 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -2.648 -29.288 34.122 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -2.228 -29.703 34.875 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -3.581 -29.466 34.239 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 0.678 -25.532 34.976 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 0.164 -25.658 35.773 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 0.523 -24.620 34.731 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 5.314 -18.316 36.218 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 4.462 -18.078 35.851 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 5.904 -18.333 35.465 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -4.709 -14.382 32.892 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -4.346 -13.527 32.659 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -4.177 -14.674 33.633 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -6.540 -13.509 26.122 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -7.490 -13.404 26.174 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -6.189 -12.689 26.467 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 1.494 -13.731 35.062 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 0.892 -14.286 34.567 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 1.775 -13.064 34.436 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -10.733 -14.693 32.904 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -10.516 -15.625 32.873 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -10.486 -14.419 33.788 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 3.075 -26.484 35.311 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 2.159 -26.221 35.223 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 3.411 -26.487 34.414 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 2.764 -13.477 31.029 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 2.608 -12.799 30.372 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 3.696 -13.405 31.232 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -11.522 -12.806 37.257 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -10.982 -13.023 38.016 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -12.003 -13.612 37.067 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -6.925 -13.887 38.877 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -6.157 -14.346 39.218 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -6.946 -14.113 37.947 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -0.348 -15.507 37.606 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -0.699 -16.363 37.849 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 0.378 -15.364 38.213 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -4.960 -19.026 37.644 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -5.288 -18.755 36.786 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -4.808 -19.967 37.556 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -1.816 -20.316 38.283 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -0.863 -20.232 38.255 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -1.976 -21.027 38.902 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -0.086 -23.808 38.848 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 0.106 -24.739 38.737 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 0.771 -23.383 38.838 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 1.230 -21.019 36.926 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 0.949 -20.310 36.348 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 2.173 -21.092 36.775 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -5.278 -29.606 34.012 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -5.376 -28.659 33.906 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -6.021 -29.978 33.536 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -1.298 -26.157 36.651 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -2.246 -26.125 36.783 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -0.986 -26.782 37.305 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 0.336 -27.523 38.656 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 0.239 -28.475 38.650 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 0.014 -27.254 39.517 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -5.056 -30.312 36.683 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -4.344 -30.952 36.669 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -5.157 -30.045 35.769 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -4.703 -28.629 38.737 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -4.834 -29.105 37.916 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -5.302 -27.885 38.681 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -12.939 -11.717 26.473 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -13.586 -12.179 25.940 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -12.584 -12.389 27.056 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -12.069 -13.636 28.278 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -12.403 -14.517 28.450 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -11.847 -13.291 29.142 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 5.480 -12.827 31.258 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 5.458 -12.642 32.197 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 6.170 -12.258 30.917 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 5.043 -13.260 34.180 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 4.556 -13.995 33.809 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 5.592 -13.653 34.858 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.494 -17.470 38.818 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 2.628 -17.575 39.212 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.870 -16.711 39.265 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 4.948 -18.375 31.104 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 5.782 -18.753 30.823 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 5.060 -17.432 30.985 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 3.435 -15.497 33.411 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 2.787 -15.172 34.036 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 2.917 -15.937 32.736 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 3.832 -20.669 36.358 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 4.415 -21.403 36.549 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 4.396 -19.897 36.404 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 5.329 -22.766 37.042 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 4.466 -23.145 36.877 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 5.933 -23.505 36.968 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -12.391 -25.290 36.870 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -11.472 -25.412 37.106 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -12.841 -26.040 37.259 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 5.130 -27.649 37.096 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 4.213 -27.378 37.060 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 5.253 -28.184 36.312 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -10.397 -15.808 37.373 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -11.218 -15.633 36.913 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -10.649 -15.881 38.294 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.132 -13.434 36.591 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -2.947 -13.768 37.469 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -2.285 -13.125 36.269 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -0.787 -12.149 35.835 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -0.110 -12.781 35.595 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -0.465 -11.747 36.643 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 4.131 -29.559 34.915 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 3.318 -29.234 34.527 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 4.364 -30.319 34.382 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -10.041 -11.577 33.679 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -10.761 -11.137 33.228 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -10.407 -11.828 34.528 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -7.574 -11.977 32.709 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -8.439 -11.905 33.113 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -7.629 -11.430 31.925 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -2.863 -12.089 31.885 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -3.320 -11.560 31.231 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -2.700 -11.486 32.610 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -0.536 -13.211 32.830 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -1.440 -13.046 32.564 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -0.107 -12.358 32.764 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 2.069 -11.641 33.125 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 1.887 -10.725 32.914 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 2.245 -12.051 32.278 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -10.626 -12.954 30.590 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -10.645 -13.379 31.447 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -9.821 -13.272 30.181 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 2.703 -30.003 29.350 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 3.307 -29.455 28.849 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 1.834 -29.683 29.110 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 4.430 -28.864 27.684 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 5.042 -29.378 27.157 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 4.813 -27.986 27.707 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -10.155 -28.962 36.577 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -10.521 -29.727 37.020 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -9.242 -28.933 36.864 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -8.182 -29.611 38.113 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -7.283 -29.885 37.928 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -8.568 -30.354 38.577 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 3.416 -14.206 36.988 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 2.634 -14.392 36.468 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 3.344 -13.277 37.205 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -12.199 -23.340 44.814 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -12.647 -22.494 44.796 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -12.760 -23.920 44.299 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -11.508 -17.908 43.230 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -11.780 -17.679 42.341 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -11.463 -17.070 43.690 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -2.313 -21.076 43.326 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -3.025 -20.541 42.975 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -1.622 -21.020 42.666 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -2.259 -22.618 40.365 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -1.558 -22.596 41.016 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -1.957 -23.246 39.709 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -7.262 -20.236 46.161 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -7.592 -20.606 45.342 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -6.674 -20.906 46.507 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -8.272 -21.166 43.750 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -8.564 -20.398 43.259 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -8.946 -21.826 43.587 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 1.441 -20.671 39.593 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 1.483 -20.894 38.663 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 2.290 -20.273 39.783 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -2.986 -26.795 40.263 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.240 -26.776 41.186 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -3.243 -27.667 39.962 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -7.223 -23.823 45.611 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -8.116 -24.164 45.552 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -6.772 -24.200 44.855 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -6.104 -26.350 39.364 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -6.535 -26.795 40.094 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -6.822 -25.978 38.852 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -11.587 -25.862 41.840 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -11.113 -25.271 41.255 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -12.305 -25.331 42.187 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -9.813 -24.767 45.524 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -10.702 -24.667 45.184 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -9.517 -25.609 45.178 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -6.160 -24.767 43.180 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -5.228 -24.638 43.358 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -6.375 -24.097 42.531 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -4.151 -19.007 42.683 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -4.895 -19.514 42.360 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -4.285 -18.958 43.629 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -0.253 -26.193 40.882 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -1.191 -26.081 40.731 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 0.044 -25.336 41.188 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -2.025 -17.548 41.708 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -2.320 -16.722 42.090 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -2.728 -18.168 41.904 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -5.224 -18.531 45.433 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -5.465 -17.606 45.475 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -5.964 -18.990 45.829 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 1.038 -17.354 40.523 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 1.391 -17.734 41.327 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 0.089 -17.447 40.609 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.871 -16.242 38.970 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.632 -16.990 38.422 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -5.140 -16.630 39.802 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -5.934 -16.672 41.426 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -5.787 -17.192 42.216 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -5.937 -15.765 41.732 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -5.858 -13.931 42.157 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -5.697 -13.131 41.656 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -6.055 -13.624 43.042 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -7.124 -27.233 41.773 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -7.207 -26.344 42.119 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -6.234 -27.498 42.004 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -8.865 -16.805 40.833 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -8.273 -16.106 41.109 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -8.406 -17.238 40.114 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -2.833 -14.379 39.108 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -3.477 -15.010 39.430 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -2.071 -14.910 38.876 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 1.771 -14.562 39.342 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 2.054 -15.356 39.795 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 2.511 -14.329 38.781 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.922 -17.605 38.935 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -2.190 -17.425 39.836 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -2.128 -18.531 38.804 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 4.336 -20.082 39.213 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 4.063 -20.507 38.400 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 4.376 -19.151 38.996 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -11.588 -17.110 40.252 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -10.674 -17.031 40.525 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -11.581 -17.797 39.585 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -9.415 -27.762 40.162 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -8.924 -28.392 39.634 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -8.792 -27.466 40.825 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -9.557 -12.810 39.642 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -9.825 -12.523 40.515 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -8.786 -13.356 39.794 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -1.034 -1.464 -10.694 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -0.945 -0.520 -10.826 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -1.673 -1.739 -11.352 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -2.101 -2.209 -7.275 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -2.139 -2.855 -6.570 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -2.424 -2.675 -8.046 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -9.733 -2.594 -5.682 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -9.691 -3.220 -4.958 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -9.030 -1.971 -5.500 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 1.605 0.730 -8.973 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 1.164 0.010 -8.523 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 1.592 1.451 -8.343 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -3.712 0.224 -6.869 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -3.408 -0.462 -7.463 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -2.990 0.342 -6.251 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 0.306 -7.150 -10.868 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 0.952 -7.479 -10.243 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 0.816 -6.632 -11.491 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.796 -4.884 -8.507 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -10.142 -5.434 -8.075 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.772 -5.158 -9.423 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -5.640 -3.334 -9.291 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -5.024 -3.860 -8.782 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -6.226 -3.974 -9.695 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 5.343 -6.697 -3.772 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 4.654 -6.039 -3.867 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 5.358 -6.894 -2.835 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -6.037 -0.687 -4.907 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -6.777 -0.089 -4.804 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -5.323 -0.133 -5.223 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 2.070 -7.859 -8.887 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 1.855 -8.625 -8.355 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.726 -7.387 -8.374 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -7.629 1.277 -4.120 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -7.635 2.156 -4.498 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -8.483 1.194 -3.695 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 2.117 2.570 -6.625 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 1.175 2.628 -6.464 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 2.393 3.476 -6.762 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 2.417 -9.144 -5.208 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 1.681 -8.533 -5.246 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 3.101 -8.729 -5.734 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -4.580 -11.057 -7.742 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -4.697 -12.006 -7.796 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -5.435 -10.725 -7.469 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 5.056 -2.842 -4.948 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 4.404 -2.147 -4.859 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 5.521 -2.632 -5.758 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -7.262 -1.380 -10.407 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -7.592 -1.750 -11.226 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -6.674 -2.050 -10.061 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -5.895 2.048 -7.726 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -5.990 1.470 -8.483 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -5.166 1.677 -7.230 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -6.895 -2.611 -6.774 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -6.330 -2.490 -7.537 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -6.576 -1.974 -6.135 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -0.586 2.892 -6.040 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -0.827 3.554 -5.392 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -0.784 2.058 -5.615 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -9.095 -2.014 -2.828 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.025 -1.363 -2.130 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -9.986 -1.911 -3.163 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -7.776 3.860 -1.293 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -7.768 3.724 -2.241 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -8.692 3.742 -1.041 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -12.179 0.053 -4.003 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -12.680 0.025 -4.818 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -12.173 -0.853 -3.693 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 2.921 -5.008 -0.957 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 2.514 -4.527 -1.677 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 2.962 -5.913 -1.264 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -9.930 1.376 -2.960 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -9.713 1.015 -2.100 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -10.785 1.002 -3.170 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 0.678 -6.676 -2.736 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 0.164 -6.802 -1.939 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 0.523 -5.764 -2.981 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -7.223 -4.967 -10.957 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -8.116 -5.308 -11.016 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -6.772 -5.344 -11.713 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -1.687 -4.551 -12.140 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -2.096 -3.736 -12.432 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.967 -4.691 -12.755 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -0.683 -5.105 -9.326 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -0.878 -4.500 -10.041 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -0.501 -5.939 -9.761 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -9.470 -4.868 -4.002 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -9.508 -4.468 -3.134 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -9.961 -5.685 -3.912 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -9.813 -5.911 -11.044 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -10.702 -5.811 -11.384 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -9.517 -6.753 -11.390 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -6.160 -5.911 -13.388 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -5.228 -5.782 -13.210 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -6.375 -5.241 -14.037 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -0.236 -8.305 -6.607 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -0.913 -8.174 -5.943 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -0.722 -8.460 -7.417 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -9.351 -0.159 -0.722 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -8.618 0.095 -0.161 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -10.131 0.045 -0.207 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.319 -8.616 -11.566 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -8.636 -9.518 -11.601 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.538 -8.614 -12.118 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 2.999 -1.018 -5.099 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 3.641 -0.561 -5.642 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 2.169 -0.905 -5.561 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -9.026 -0.856 -8.116 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -8.281 -0.858 -8.717 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -8.948 -1.680 -7.634 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -12.018 -2.395 -2.801 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -11.795 -2.813 -1.969 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -12.620 -3.008 -3.223 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 5.314 0.540 -1.494 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 4.462 0.778 -1.861 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 5.904 0.523 -2.247 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 0.806 -1.666 -6.844 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -0.122 -1.898 -6.871 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 1.257 -2.443 -7.174 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -4.709 4.474 -4.820 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -4.346 5.329 -5.053 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -4.177 4.182 -4.079 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -3.665 -6.521 -12.421 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -2.853 -6.017 -12.375 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -3.910 -6.666 -11.507 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -2.781 -9.440 -11.483 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -3.128 -8.822 -10.838 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -2.123 -8.939 -11.964 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 3.075 -7.628 -2.401 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 2.159 -7.365 -2.489 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 3.411 -7.631 -3.298 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 1.677 -3.877 -8.305 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 0.880 -4.292 -8.634 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 2.122 -4.568 -7.814 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 2.764 5.379 -6.683 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 2.608 6.057 -7.340 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 3.696 5.451 -6.480 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -9.741 -10.503 -7.946 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -9.970 -10.444 -8.873 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -10.184 -11.295 -7.639 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -6.925 4.969 1.165 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -6.157 4.510 1.506 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -6.946 4.743 0.235 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -11.615 -0.140 0.499 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -11.471 -1.042 0.213 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -12.388 0.146 0.011 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -1.298 -7.301 -1.061 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -2.246 -7.269 -0.929 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -0.986 -7.926 -0.407 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 0.336 -8.667 0.944 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 0.239 -9.619 0.938 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 0.014 -8.398 1.805 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 5.480 6.029 -6.454 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 5.458 6.214 -5.515 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 6.170 6.598 -6.795 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 4.948 0.481 -6.608 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 5.782 0.103 -6.889 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 5.060 1.424 -6.727 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 3.435 3.359 -4.301 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 2.787 3.684 -3.676 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 2.917 2.919 -4.976 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -11.989 -1.705 -6.983 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -11.805 -1.787 -7.918 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -11.140 -1.829 -6.559 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 5.329 -3.910 -0.670 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 4.466 -4.289 -0.835 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 5.933 -4.649 -0.744 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 3.298 -5.619 -7.095 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 4.231 -5.407 -7.129 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 3.063 -5.517 -6.172 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 3.327 -4.882 -4.319 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.484 -4.614 -3.953 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 3.770 -4.060 -4.530 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 5.610 -10.902 1.035 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 5.960 -11.556 0.429 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 5.757 -10.065 0.595 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -11.170 -8.122 -7.951 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -10.725 -8.914 -7.649 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -10.704 -7.406 -7.520 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -12.866 -5.123 -6.882 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -12.374 -5.344 -7.672 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -12.504 -4.282 -6.601 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -10.397 3.048 -0.339 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -11.218 3.223 -0.799 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -10.649 2.975 0.582 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -7.443 4.023 -4.080 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -7.868 4.832 -4.363 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -6.538 4.108 -4.382 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -3.132 5.422 -1.121 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -2.947 5.088 -0.243 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -2.285 5.731 -1.443 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -0.787 6.707 -1.877 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -0.110 6.075 -2.117 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -0.465 7.109 -1.069 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -2.863 6.767 -5.827 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -3.320 7.296 -6.481 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -2.700 7.370 -5.102 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -0.536 5.645 -4.882 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -1.440 5.810 -5.148 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -0.107 6.498 -4.948 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 2.069 7.215 -4.587 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.887 8.131 -4.798 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 2.245 6.805 -5.434 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -2.439 -9.254 -8.474 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -3.114 -9.883 -8.219 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -1.875 -9.738 -9.077 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -10.113 -10.620 -10.652 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -10.890 -10.854 -11.160 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -9.582 -11.417 -10.644 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -5.533 -10.693 -10.839 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -4.659 -10.305 -10.869 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -5.669 -10.908 -9.916 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 0.024 -10.663 -9.190 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 0.100 -10.568 -10.139 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -0.252 -11.571 -9.061 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 0.240 -11.423 0.583 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 0.316 -11.849 1.437 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 1.133 -11.409 0.241 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -1.034 -1.464 8.162 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -0.945 -0.520 8.030 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -1.673 -1.739 7.504 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -2.101 -2.209 11.581 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -2.139 -2.855 12.286 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -2.424 -2.675 10.810 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 1.605 0.730 9.883 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 1.164 0.010 10.333 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 1.592 1.451 10.513 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -12.199 -4.484 7.102 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -12.647 -3.638 7.084 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -12.760 -5.064 6.587 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -11.489 -2.322 9.228 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -11.275 -3.092 9.755 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -10.751 -2.233 8.625 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -1.284 5.835 10.095 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -0.664 5.158 9.822 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -1.492 5.617 11.003 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -3.712 0.224 11.987 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -3.408 -0.462 11.393 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -2.990 0.342 12.605 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -0.571 -5.382 12.315 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -0.428 -6.329 12.335 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -0.677 -5.175 11.386 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -7.416 -7.281 9.587 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -7.373 -6.421 9.169 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -7.874 -7.833 8.954 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 0.306 -7.150 7.988 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 0.952 -7.479 8.613 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 0.816 -6.632 7.365 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -10.796 -4.884 10.349 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -10.142 -5.434 10.781 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -10.772 -5.158 9.433 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -5.640 -3.334 9.565 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -5.024 -3.860 10.074 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -6.226 -3.974 9.161 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 2.070 -7.859 9.969 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 1.855 -8.625 10.501 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 2.726 -7.387 10.482 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.012 -6.471 11.614 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -8.399 -5.838 11.987 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -8.500 -6.943 10.957 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -11.508 0.948 5.518 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -11.780 1.177 4.629 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -11.463 1.786 5.978 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 2.117 2.570 12.231 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 1.175 2.628 12.392 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 2.393 3.476 12.094 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -2.313 -2.220 5.614 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -3.025 -1.685 5.263 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -1.622 -2.164 4.954 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 5.056 -2.842 13.908 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.404 -2.147 13.997 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 5.521 -2.632 13.098 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 1.093 -2.010 6.566 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 0.361 -1.782 7.139 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 1.540 -2.724 7.021 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -7.262 -1.380 8.449 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -7.592 -1.750 7.630 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -6.674 -2.050 8.795 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -5.895 2.048 11.130 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -5.990 1.470 10.373 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -5.166 1.677 11.626 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -0.586 2.892 12.816 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -0.827 3.554 13.464 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -0.784 2.058 13.241 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -0.036 -2.848 4.251 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 0.543 -2.698 4.998 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 0.378 -2.377 3.528 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 3.662 -11.098 4.064 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 2.763 -10.959 4.359 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 3.914 -10.267 3.662 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -9.184 5.634 7.882 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -9.032 5.286 8.761 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -10.035 5.278 7.627 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -7.220 -5.188 12.987 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -7.862 -5.229 13.696 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -7.183 -4.262 12.749 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.223 -4.967 7.899 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -8.116 -5.308 7.840 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.772 -5.344 7.143 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -1.687 -4.551 6.716 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -2.096 -3.736 6.424 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -0.967 -4.691 6.101 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -2.585 -4.376 18.204 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -3.148 -5.080 18.524 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -1.759 -4.496 18.671 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -0.683 -5.105 9.530 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -0.878 -4.500 8.815 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -0.501 -5.939 9.095 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -9.470 -4.868 14.854 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -9.508 -4.468 15.722 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -9.961 -5.685 14.944 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -12.862 -7.752 8.704 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -12.231 -7.781 9.424 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -12.412 -8.177 7.974 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -11.587 -7.006 4.128 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -11.113 -6.415 3.543 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -12.305 -6.475 4.475 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -1.419 -3.467 14.201 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -1.095 -4.098 13.558 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -1.859 -4.002 14.862 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -4.641 -7.540 8.985 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -5.552 -7.483 9.274 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -4.136 -7.600 9.796 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -9.813 -5.911 7.812 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -10.702 -5.811 7.472 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -9.517 -6.753 7.466 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -6.160 -5.911 5.468 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -5.228 -5.782 5.646 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -6.375 -5.241 4.819 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -3.321 -4.752 10.872 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -2.757 -5.299 10.325 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -3.469 -5.274 11.661 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -8.319 -8.616 7.290 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -8.636 -9.518 7.255 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -7.538 -8.614 6.738 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -4.695 -6.364 13.286 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -5.530 -5.910 13.396 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -4.171 -6.088 14.038 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 2.999 -1.018 13.757 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 3.641 -0.561 13.214 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 2.169 -0.905 13.295 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -0.253 -7.337 3.170 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.191 -7.225 3.019 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 0.044 -6.480 3.476 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -2.631 0.033 16.208 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -2.977 -0.348 17.014 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -2.831 0.967 16.279 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 0.465 -5.470 4.831 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 1.357 -5.607 5.150 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 0.522 -4.679 4.294 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -5.001 -2.878 18.268 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -5.297 -3.044 17.373 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -4.070 -3.098 18.258 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 0.806 -1.666 12.012 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -0.122 -1.898 11.985 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 1.257 -2.443 11.682 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -6.651 2.662 8.145 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -6.124 3.435 7.944 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -7.531 2.887 7.843 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -6.540 5.347 7.266 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -7.490 5.452 7.318 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -6.189 6.167 7.611 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -1.165 0.573 13.737 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -1.591 0.346 14.563 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -0.584 -0.165 13.554 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -10.384 -7.642 15.613 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -11.277 -7.303 15.546 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -10.483 -8.497 16.031 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 1.904 0.175 5.037 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 1.627 -0.553 5.593 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 2.831 0.294 5.243 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -0.865 -8.249 5.600 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -0.645 -7.777 4.797 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -0.307 -7.854 6.271 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -3.665 -6.521 6.435 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.853 -6.017 6.481 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -3.910 -6.666 7.349 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -2.781 -9.440 7.373 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -3.128 -8.822 8.018 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -2.123 -8.939 6.892 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 1.677 -3.877 10.551 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 0.880 -4.292 10.222 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 2.122 -4.568 11.042 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -8.865 2.051 3.121 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -8.273 2.750 3.397 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.406 1.618 2.402 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 2.764 5.379 12.173 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 2.608 6.057 11.516 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 3.696 5.451 12.376 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 0.775 -0.254 16.171 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 1.520 0.334 16.051 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 0.018 0.328 16.234 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -6.836 -3.931 16.149 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -7.454 -3.256 16.430 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.492 -3.610 15.316 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -1.816 -1.460 19.427 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -0.863 -1.376 19.399 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -1.976 -2.171 20.046 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 4.336 -1.226 1.501 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 4.063 -1.651 0.688 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 4.376 -0.295 1.284 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -6.496 -6.576 17.232 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -6.346 -7.305 16.629 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -6.494 -5.799 16.673 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -4.502 -2.767 14.964 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -3.751 -2.923 14.391 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -4.841 -1.915 14.688 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 1.230 -2.163 18.070 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 0.949 -1.454 17.492 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 2.173 -2.236 17.919 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -8.018 -5.378 19.143 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -8.785 -5.910 18.933 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -7.339 -5.688 18.544 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -9.837 -7.457 18.848 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.626 -8.164 18.237 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -9.949 -7.895 19.692 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -5.156 7.110 3.057 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -4.223 7.268 3.201 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -5.420 7.785 2.432 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -11.588 1.746 2.540 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -10.674 1.825 2.813 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -11.581 1.059 1.873 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 5.480 6.029 12.402 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 5.458 6.214 13.341 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 6.170 6.598 12.061 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 4.795 -0.357 5.476 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 5.645 0.064 5.604 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 4.800 -1.097 6.084 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 5.457 -2.403 3.691 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 4.936 -2.046 2.972 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 5.424 -1.728 4.369 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 3.806 -5.163 2.242 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 3.903 -4.496 1.562 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 3.666 -5.979 1.760 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 3.832 -1.813 17.502 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 4.415 -2.547 17.693 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 4.396 -1.041 17.548 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 5.329 -3.910 18.186 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 4.466 -4.289 18.021 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 5.933 -4.649 18.112 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 3.054 -7.755 1.359 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 3.664 -8.127 1.996 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 2.217 -8.177 1.555 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 2.686 -6.200 6.325 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 2.966 -7.107 6.450 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 3.445 -5.766 5.936 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 3.298 -5.619 11.761 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 4.231 -5.407 11.727 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 3.063 -5.517 12.684 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -12.391 -6.434 18.014 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -11.472 -6.556 18.250 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -12.841 -7.184 18.403 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 3.300 -8.937 6.374 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 3.482 -9.386 7.199 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 2.700 -9.522 5.910 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -11.170 -8.122 10.905 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -10.725 -8.914 11.207 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -10.704 -7.406 11.336 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -12.866 -5.123 11.974 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -12.374 -5.344 11.184 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -12.504 -4.282 12.255 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 5.166 -8.870 2.902 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 5.579 -9.591 2.426 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 5.848 -8.200 2.960 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -12.553 -8.865 6.029 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -13.478 -8.656 5.899 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -12.099 -8.381 5.339 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 2.218 6.119 7.974 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 2.871 5.772 7.366 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 2.729 6.608 8.620 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -2.863 6.767 13.029 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -3.320 7.296 12.375 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -2.700 7.370 13.754 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -0.536 5.645 13.974 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -1.440 5.810 13.708 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -0.107 6.498 13.908 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -8.485 4.612 10.389 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -8.704 3.696 10.558 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -7.661 4.752 10.855 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -5.948 5.082 11.237 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -5.735 4.194 10.950 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -5.883 5.048 12.192 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -2.439 -9.254 10.382 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -3.114 -9.883 10.637 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -1.875 -9.738 9.779 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -10.113 -10.620 8.204 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -10.890 -10.854 7.696 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -9.582 -11.417 8.212 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -11.276 -10.822 4.007 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -10.837 -10.211 3.416 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -11.910 -10.284 4.481 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -5.533 -10.693 8.017 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.659 -10.305 7.987 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -5.669 -10.908 8.940 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 1.377 -10.637 5.359 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 0.674 -10.023 5.149 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 0.932 -11.475 5.490 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -8.182 -10.755 19.257 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -7.283 -11.029 19.072 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -8.568 -11.498 19.721 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -9.557 6.046 1.930 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -9.825 6.333 2.803 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -8.786 5.500 2.082 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 0.306 -7.150 26.844 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 0.952 -7.479 27.469 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 0.816 -6.632 26.221 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 2.070 -7.859 28.825 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 1.855 -8.625 29.357 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 2.726 -7.387 29.338 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -4.580 -11.057 29.970 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.697 -12.006 29.916 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -5.435 -10.725 30.243 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -2.259 -3.762 21.509 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -1.558 -3.740 22.160 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -1.957 -4.390 20.853 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -0.036 -2.848 23.107 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 0.543 -2.698 23.854 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 0.378 -2.377 22.384 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -7.311 -10.154 30.748 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -8.172 -10.241 30.340 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -7.333 -9.298 31.175 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 1.441 -1.815 20.737 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 1.483 -2.038 19.807 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 2.290 -1.417 20.927 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.687 -4.551 25.572 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -2.096 -3.736 25.280 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -0.967 -4.691 24.957 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -4.641 -7.540 27.841 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -5.552 -7.483 28.130 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -4.136 -7.600 28.652 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -6.160 -5.911 24.324 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -5.228 -5.782 24.502 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -6.375 -5.241 23.675 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -7.486 -4.716 21.891 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.028 -5.096 21.200 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.652 -4.522 21.462 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 0.465 -5.470 23.687 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 1.357 -5.607 24.006 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 0.522 -4.679 23.150 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -3.665 -6.521 25.291 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -2.853 -6.017 25.337 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -3.910 -6.666 26.205 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -2.781 -9.440 26.229 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -3.128 -8.822 26.874 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -2.123 -8.939 25.748 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -7.124 -8.377 22.917 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -7.207 -7.488 23.263 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -6.234 -8.642 23.148 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -9.741 -10.503 29.766 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -9.970 -10.444 28.839 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -10.184 -11.295 30.073 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -5.054 -3.581 20.912 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -5.234 -3.735 19.984 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -4.103 -3.473 20.956 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 4.336 -1.226 20.357 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 4.063 -1.651 19.544 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 4.376 -0.295 20.140 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -5.278 -10.750 34.012 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -5.376 -9.803 33.906 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -6.021 -11.122 33.536 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 3.806 -5.163 21.098 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 3.903 -4.496 20.418 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 3.666 -5.979 20.616 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 2.686 -6.200 25.181 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 2.966 -7.107 25.306 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 3.445 -5.766 24.792 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 3.300 -8.937 25.230 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 3.482 -9.386 26.055 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 2.700 -9.522 24.766 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 5.166 -8.870 21.758 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 5.579 -9.591 21.282 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 5.848 -8.200 21.816 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -2.439 -9.254 29.238 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -3.114 -9.883 29.493 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -1.875 -9.738 28.635 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 2.703 -11.147 29.350 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 3.307 -10.599 28.849 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 1.834 -10.827 29.110 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 4.430 -10.008 27.684 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 5.042 -10.522 27.157 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 4.813 -9.130 27.707 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.113 -10.620 27.060 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -10.890 -10.854 26.552 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -9.582 -11.417 27.068 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -11.276 -10.822 22.863 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -10.837 -10.211 22.272 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -11.910 -10.284 23.337 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -5.533 -10.693 26.873 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -4.659 -10.305 26.843 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -5.669 -10.908 27.796 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 0.024 -10.663 28.522 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 0.100 -10.568 27.573 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -0.252 -11.571 28.651 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -9.415 -8.906 21.306 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -8.924 -9.536 20.778 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -8.792 -8.610 21.969 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -4.389 -8.613 23.763 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -4.211 -9.259 24.446 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -4.443 -7.779 24.230 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 2.417 9.712 -5.208 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 1.681 10.323 -5.246 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 3.101 10.127 -5.734 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -2.648 8.424 -3.590 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -2.228 8.009 -2.837 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -3.581 8.246 -3.473 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 3.075 11.228 -2.401 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 2.159 11.491 -2.489 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 3.411 11.225 -3.298 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -5.278 8.106 -3.700 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -5.376 9.053 -3.806 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -6.021 7.734 -4.176 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 0.336 10.189 0.944 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 0.239 9.237 0.938 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 0.014 10.458 1.805 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -5.056 7.400 -1.029 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -4.344 6.760 -1.043 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -5.157 7.667 -1.943 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -4.703 9.083 1.025 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -4.834 8.607 0.204 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -5.302 9.827 0.969 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 5.130 10.063 -0.616 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 4.213 10.334 -0.652 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 5.253 9.528 -1.400 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 4.131 8.153 -2.797 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 3.318 8.478 -3.185 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 4.364 7.393 -3.330 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -8.182 8.101 0.401 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -7.283 7.827 0.216 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -8.568 7.358 0.865 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 0.306 11.706 7.988 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 0.952 11.377 8.613 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 0.816 12.224 7.365 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -4.580 7.799 11.114 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -4.697 6.850 11.060 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.435 8.131 11.387 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -2.986 10.917 2.551 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -3.240 10.936 3.474 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -3.243 10.045 2.250 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -0.253 11.519 3.170 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -1.191 11.631 3.019 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 0.044 12.376 3.476 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 5.350 13.596 4.525 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 4.796 13.200 3.853 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 5.451 14.506 4.248 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -0.865 10.607 5.600 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -0.645 11.079 4.797 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -0.307 11.002 6.271 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -2.781 9.416 7.373 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -3.128 10.034 8.018 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -2.123 9.917 6.892 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 3.806 13.693 2.242 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 3.903 14.360 1.562 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 3.666 12.877 1.760 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 3.054 11.101 1.359 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 3.664 10.729 1.996 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 2.217 10.679 1.555 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 2.686 12.656 6.325 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 2.966 11.749 6.450 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 3.445 13.090 5.936 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 3.300 9.919 6.374 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 3.482 9.470 7.199 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 2.700 9.334 5.910 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -2.439 9.602 10.382 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -3.114 8.973 10.637 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -1.875 9.118 9.779 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 2.703 7.709 10.494 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 3.307 8.257 9.993 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 1.834 8.029 10.254 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 4.430 8.848 8.828 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 5.042 8.334 8.301 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 4.813 9.726 8.851 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -5.533 8.163 8.017 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -4.659 8.551 7.987 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -5.669 7.948 8.940 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 0.024 8.193 9.666 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 0.100 8.288 8.717 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -0.252 7.285 9.795 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 1.377 8.219 5.359 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 0.674 8.833 5.149 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 0.932 7.381 5.490 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -4.389 10.243 4.907 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -4.211 9.597 5.590 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -4.443 11.077 5.374 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 7.348 -36.764 5.518 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 7.076 -36.535 4.629 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 7.393 -35.926 5.978 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 6.428 -34.879 11.737 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 7.374 -35.023 11.718 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 6.315 -34.095 12.274 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 12.205 -35.050 8.145 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 12.732 -34.277 7.944 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 11.325 -34.825 7.843 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 12.316 -32.365 7.266 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 11.366 -32.260 7.318 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 12.667 -31.545 7.611 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 8.123 -33.549 14.048 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 8.340 -34.481 14.017 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 8.370 -33.275 14.932 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 12.998 -32.787 4.445 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 13.159 -31.987 3.944 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 12.801 -32.480 5.330 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 8.045 -34.275 7.071 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 7.213 -33.802 7.098 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 8.591 -33.765 6.472 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 7.334 -31.662 18.401 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 7.874 -31.879 19.160 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 6.853 -32.468 18.211 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 11.931 -32.743 20.021 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 12.699 -33.202 20.362 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 11.910 -32.969 19.091 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 8.459 -34.664 18.517 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 7.638 -34.489 18.057 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 8.207 -34.737 19.438 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 11.282 -30.833 13.853 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 10.417 -30.761 14.257 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 11.227 -30.286 13.069 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 8.230 -31.810 11.734 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 8.211 -32.235 12.591 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 9.035 -32.128 11.325 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 10.371 -33.100 10.389 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 10.152 -34.016 10.558 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 11.195 -32.960 10.855 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 12.908 -32.630 11.237 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 13.121 -33.518 10.950 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 12.973 -32.664 12.192 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 7.481 -32.586 4.905 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 6.796 -32.624 4.237 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 7.484 -31.673 5.193 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 9.299 -31.666 1.930 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 9.031 -31.379 2.803 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 10.070 -32.212 2.082 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 16.018 -30.867 24.957 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 15.943 -30.988 24.011 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 16.051 -29.917 25.076 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 9.672 -32.078 26.738 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 9.824 -32.426 27.617 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 8.821 -32.434 26.483 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 12.316 -32.365 26.122 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 11.366 -32.260 26.174 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 12.667 -31.545 26.467 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 12.998 -32.787 23.301 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 13.159 -31.987 22.800 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 12.801 -32.480 24.186 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 8.045 -34.275 25.927 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 7.213 -33.802 25.954 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 8.591 -33.765 25.328 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 13.700 -30.602 21.913 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 14.633 -30.444 22.057 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 13.436 -29.927 21.288 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 5.917 -30.573 26.473 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 5.270 -31.035 25.940 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 6.272 -31.245 27.056 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 6.787 -32.492 28.278 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 6.453 -33.373 28.450 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 7.009 -32.147 29.142 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 8.815 -30.433 33.679 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 8.095 -29.993 33.228 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 8.449 -30.684 34.528 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 11.282 -30.833 32.709 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 10.417 -30.761 33.113 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 11.227 -30.286 31.925 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 15.993 -30.945 31.885 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 15.536 -30.416 31.231 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 16.156 -30.342 32.610 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 8.230 -31.810 30.590 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 8.211 -32.235 31.447 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 9.035 -32.128 30.181 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 10.371 -33.100 29.245 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 10.152 -34.016 29.414 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 11.195 -32.960 29.711 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 12.908 -32.630 30.093 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 13.121 -33.518 29.806 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 12.973 -32.664 31.048 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 7.481 -32.586 23.761 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 6.796 -32.624 23.093 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 7.484 -31.673 24.049 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 9.299 -31.666 20.786 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 9.031 -31.379 21.659 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 10.070 -32.212 20.938 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 9.761 -20.870 -2.828 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 9.831 -20.219 -2.130 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 8.870 -20.767 -3.163 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 6.677 -18.803 -4.003 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 6.176 -18.831 -4.818 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 6.683 -19.709 -3.693 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 8.926 -17.480 -2.960 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 9.143 -17.841 -2.100 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 8.071 -17.854 -3.170 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 9.386 -23.724 -4.002 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 9.348 -23.324 -3.134 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 8.895 -24.541 -3.912 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 9.505 -19.015 -0.722 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 10.238 -18.761 -0.161 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 8.725 -18.811 -0.207 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 6.838 -21.251 -2.801 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 7.061 -21.669 -1.969 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.236 -21.864 -3.223 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 7.241 -18.996 0.499 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 7.385 -19.898 0.213 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 6.468 -18.710 0.011 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 8.073 -21.796 -0.081 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 8.481 -22.653 -0.202 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 7.813 -21.781 0.840 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 10.838 -24.234 0.287 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 10.071 -24.766 0.077 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 11.517 -24.544 -0.312 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 9.019 -26.313 -0.008 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 9.230 -27.020 -0.619 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 8.907 -26.751 0.836 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 6.465 -25.290 -0.842 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 7.384 -25.412 -0.606 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 6.015 -26.040 -0.453 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 8.459 -15.808 -0.339 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 7.638 -15.633 -0.799 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 8.207 -15.881 0.582 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 10.674 -29.611 0.401 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 11.573 -29.885 0.216 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 10.288 -30.354 0.865 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 10.047 -17.000 11.709 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 9.677 -17.802 11.340 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 10.988 -17.169 11.756 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 11.440 -26.137 9.587 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 11.483 -25.277 9.169 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 10.982 -26.689 8.954 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 8.060 -23.740 10.349 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 8.714 -24.290 10.781 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 8.084 -24.014 9.433 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 10.250 -27.219 13.661 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 10.031 -26.689 12.895 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 9.582 -26.992 14.309 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 12.819 -19.543 13.949 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 12.079 -18.945 14.052 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 13.533 -18.989 13.633 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 9.844 -25.327 11.614 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 10.457 -24.694 11.987 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 10.356 -25.799 10.957 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 11.227 -17.579 14.736 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 11.221 -16.700 14.358 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.373 -17.662 15.161 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 7.348 -17.908 5.518 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 7.076 -17.679 4.629 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 7.393 -17.070 5.978 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 14.276 -29.913 11.114 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 14.159 -30.862 11.060 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 13.421 -29.581 11.387 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 11.594 -20.236 8.449 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 11.264 -20.606 7.630 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 12.182 -20.906 8.795 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 12.961 -16.808 11.130 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 12.866 -17.386 10.373 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 13.690 -17.179 11.626 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.961 -21.467 12.082 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 12.526 -21.346 11.319 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 12.280 -20.830 12.721 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 9.761 -20.870 16.028 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 9.831 -20.219 16.726 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 8.870 -20.767 15.693 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 10.584 -21.166 6.038 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 10.292 -20.398 5.547 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 9.910 -21.826 5.875 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 9.672 -13.222 7.882 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 9.824 -13.570 8.761 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 8.821 -13.578 7.627 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 8.926 -17.480 15.896 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 9.143 -17.841 16.756 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 8.071 -17.854 15.686 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 11.545 -29.010 11.892 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 10.684 -29.097 11.484 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 11.523 -28.154 12.319 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 11.636 -24.044 12.987 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 10.994 -24.085 13.696 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 11.673 -23.118 12.749 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 11.633 -23.823 7.899 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 10.740 -24.164 7.840 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.084 -24.200 7.143 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 9.386 -23.724 14.854 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 9.348 -23.324 15.722 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 8.895 -24.541 14.944 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 12.752 -26.350 1.652 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.321 -26.795 2.382 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 12.034 -25.978 1.140 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 14.215 -26.396 8.985 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 13.304 -26.339 9.274 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 14.720 -26.456 9.796 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 12.696 -24.767 5.468 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 13.628 -24.638 5.646 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 12.481 -24.097 4.819 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 11.370 -23.572 3.035 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 10.828 -23.952 2.344 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 12.204 -23.378 2.606 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.505 -19.015 18.134 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 10.238 -18.761 18.695 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 8.725 -18.811 18.649 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 9.830 -19.712 10.740 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 10.575 -19.714 10.139 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 9.908 -20.536 11.222 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 13.855 -21.734 18.268 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 13.559 -21.900 17.373 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 14.786 -21.954 18.258 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.960 -21.332 2.732 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.576 -20.705 3.111 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.098 -21.016 3.003 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 8.123 -14.693 14.048 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 8.340 -15.625 14.017 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.370 -14.419 14.932 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 9.375 -19.419 4.224 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.689 -19.067 4.791 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 9.898 -18.656 3.978 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 15.191 -25.377 6.435 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 16.003 -24.873 6.481 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 14.946 -25.522 7.349 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 11.732 -27.233 4.061 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 11.649 -26.344 4.407 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 12.622 -27.498 4.292 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 9.991 -16.805 3.121 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 10.583 -16.106 3.397 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.450 -17.238 2.402 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 8.307 -24.141 2.237 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 8.262 -23.202 2.416 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 7.419 -24.377 1.967 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.045 -15.419 7.071 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 7.213 -14.946 7.098 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.591 -14.909 6.472 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 7.334 -12.806 18.401 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 7.874 -13.023 19.160 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 6.853 -13.612 18.211 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 7.241 -18.996 19.355 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 7.385 -19.898 19.069 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 6.468 -18.710 18.867 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 12.020 -22.787 16.149 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.402 -22.112 16.430 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.364 -22.466 15.316 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 12.360 -25.432 17.232 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.510 -26.161 16.629 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.362 -24.655 16.673 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 12.772 -27.062 14.724 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 13.308 -26.611 14.072 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 11.920 -27.170 14.302 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 13.578 -29.606 15.156 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 13.480 -28.659 15.050 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.835 -29.978 14.680 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 14.842 -25.284 18.719 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 14.606 -25.504 19.621 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 14.059 -25.491 18.210 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.800 -30.312 17.827 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 14.512 -30.952 17.813 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.699 -30.045 16.913 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 14.153 -28.629 19.881 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 14.022 -29.105 19.060 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 13.554 -27.885 19.825 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 7.268 -17.110 2.540 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 8.182 -17.031 2.813 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 7.275 -17.797 1.873 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 8.459 -15.808 18.517 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 7.638 -15.633 18.057 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 8.207 -15.881 19.438 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 11.413 -14.833 14.776 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 10.988 -14.024 14.493 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 12.318 -14.748 14.474 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 8.815 -11.577 14.823 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 8.095 -11.137 14.372 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 8.449 -11.828 15.672 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 8.230 -12.954 11.734 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 8.211 -13.379 12.591 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 9.035 -13.272 11.325 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 10.371 -14.244 10.389 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 10.152 -15.160 10.558 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 11.195 -14.104 10.855 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 13.323 -29.549 8.017 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 14.197 -29.161 7.987 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 13.187 -29.764 8.940 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 7.481 -13.730 4.905 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 6.796 -13.768 4.237 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.484 -12.817 5.193 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 9.441 -27.762 2.450 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 9.932 -28.392 1.922 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 10.064 -27.466 3.113 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 14.467 -27.469 4.907 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 14.645 -28.115 5.590 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 14.413 -26.635 5.374 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.674 -29.611 19.257 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.573 -29.885 19.072 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.288 -30.354 19.721 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 17.822 -20.320 27.018 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 17.911 -19.376 26.886 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 17.183 -20.595 26.360 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 16.755 -21.065 30.437 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 16.717 -21.711 31.142 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 16.432 -21.531 29.666 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 9.123 -21.450 32.030 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.165 -22.076 32.754 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 9.826 -20.827 32.212 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.047 -17.000 30.565 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.677 -17.802 30.196 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.988 -17.169 30.612 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 15.144 -18.632 30.843 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 15.448 -19.318 30.249 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 15.866 -18.514 31.461 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 18.285 -24.238 31.171 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 18.428 -25.185 31.191 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 18.179 -24.031 30.242 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 19.162 -26.006 26.844 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 19.808 -26.335 27.469 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 19.672 -25.488 26.221 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 10.250 -27.219 32.517 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 10.031 -26.689 31.751 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 9.582 -26.992 33.165 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 12.819 -19.543 32.805 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 12.079 -18.945 32.908 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 13.533 -18.989 32.489 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 14.276 -29.913 29.970 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 14.159 -30.862 29.916 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 13.421 -29.581 30.243 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 16.543 -21.076 24.470 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 15.831 -20.541 24.119 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 17.234 -21.020 23.810 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 11.961 -21.467 30.938 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 12.526 -21.346 30.175 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.280 -20.830 31.577 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 6.677 -18.803 33.709 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 6.176 -18.831 32.894 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 6.683 -19.709 34.019 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 6.428 -16.023 30.593 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 7.374 -16.167 30.574 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 6.315 -15.239 31.130 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 9.672 -13.222 26.738 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 9.824 -13.570 27.617 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 8.821 -13.578 26.483 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 15.870 -26.795 21.407 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 15.616 -26.776 22.330 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 15.613 -27.667 21.106 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 17.169 -23.407 25.572 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 16.760 -22.592 25.280 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 17.889 -23.547 24.957 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 18.173 -23.961 28.386 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 17.978 -23.356 27.671 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 18.355 -24.795 27.951 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.386 -23.724 33.710 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 9.348 -23.324 34.578 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 8.895 -24.541 33.800 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 12.752 -26.350 20.508 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 12.321 -26.795 21.238 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 12.034 -25.978 19.996 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 17.437 -22.323 33.057 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 17.761 -22.954 32.414 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 16.997 -22.858 33.718 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 18.620 -27.161 31.105 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 17.943 -27.030 31.769 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 18.134 -27.316 30.295 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 15.535 -23.608 29.728 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 16.099 -24.155 29.181 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 15.387 -24.130 30.517 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 14.161 -25.220 32.142 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 13.326 -24.766 32.252 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.685 -24.944 32.894 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 14.705 -19.007 23.827 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 13.961 -19.514 23.504 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 14.571 -18.958 24.773 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 9.830 -19.712 29.596 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 10.575 -19.714 28.995 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 9.908 -20.536 30.078 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 6.838 -21.251 34.911 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 7.061 -21.669 35.743 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 6.236 -21.864 34.489 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.205 -16.194 27.001 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 12.732 -15.421 26.800 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 11.325 -15.969 26.699 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 13.632 -18.531 26.577 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 13.391 -17.606 26.619 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 12.892 -18.990 26.973 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 8.472 -26.498 34.469 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.579 -26.159 34.402 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 8.373 -27.353 34.887 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.123 -14.693 32.904 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 8.340 -15.625 32.873 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 8.370 -14.419 33.788 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 9.375 -19.419 23.080 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 8.689 -19.067 23.647 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 9.898 -18.656 22.834 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 17.207 -26.757 33.359 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 17.905 -26.683 34.009 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 16.826 -27.621 33.514 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 17.991 -27.105 24.456 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 18.211 -26.633 23.653 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 18.549 -26.710 25.127 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 15.191 -25.377 25.291 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 16.003 -24.873 25.337 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 14.946 -25.522 26.205 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 15.727 -24.391 34.476 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 15.846 -23.817 35.233 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 16.382 -25.079 34.591 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 16.075 -28.296 26.229 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 15.728 -27.678 26.874 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 16.733 -27.795 25.748 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 9.991 -16.805 21.977 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.583 -16.106 22.253 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 10.450 -17.238 21.258 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.045 -15.419 25.927 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 7.213 -14.946 25.954 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.591 -14.909 25.328 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 11.582 -18.652 20.343 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 11.646 -19.446 20.874 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 12.235 -18.771 19.654 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.731 -20.680 22.649 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.272 -21.164 23.335 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 12.986 -21.348 22.013 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 12.020 -22.787 35.005 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 11.402 -22.112 35.286 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 12.364 -22.466 34.172 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 13.802 -22.437 20.912 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 13.622 -22.591 19.984 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 14.753 -22.329 20.956 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 12.360 -25.432 36.088 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 12.510 -26.161 35.485 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 12.362 -24.655 35.529 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 12.772 -27.062 33.580 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 13.308 -26.611 32.928 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 11.920 -27.170 33.158 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 14.354 -21.623 33.820 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 15.105 -21.779 33.247 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 14.015 -20.771 33.544 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 13.578 -29.606 34.012 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 13.480 -28.659 33.906 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 12.835 -29.978 33.536 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 7.268 -17.110 21.396 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 8.182 -17.031 21.669 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.275 -17.797 20.729 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 5.917 -11.717 26.473 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 5.270 -12.179 25.940 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 6.272 -12.389 27.056 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 6.787 -13.636 28.278 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 6.453 -14.517 28.450 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 7.009 -13.291 29.142 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 6.867 -20.561 30.729 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 7.051 -20.643 29.794 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.716 -20.685 31.153 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 6.465 -25.290 36.870 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.384 -25.412 37.106 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 6.015 -26.040 37.259 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 6.267 -28.983 33.229 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 5.602 -29.229 33.872 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 5.824 -28.361 32.652 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 8.230 -12.954 30.590 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 8.211 -13.379 31.447 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.035 -13.272 30.181 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 16.417 -28.110 29.238 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 15.742 -28.739 29.493 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 16.981 -28.594 28.635 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 18.880 -29.519 28.522 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 18.956 -29.424 27.573 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 18.604 -30.427 28.651 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 7.481 -13.730 23.761 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 6.796 -13.768 23.093 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 7.484 -12.817 24.049 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 14.467 -27.469 23.763 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 14.645 -28.115 24.446 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 14.413 -26.635 24.230 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 9.299 -12.810 20.786 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 9.031 -12.523 21.659 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 10.070 -13.356 20.938 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.080 3.860 -1.293 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 11.088 3.724 -2.241 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 10.164 3.742 -1.041 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 6.677 0.053 -4.003 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 6.176 0.025 -4.818 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 6.683 -0.853 -3.693 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 6.428 2.833 -7.119 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 7.374 2.689 -7.138 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 6.315 3.617 -6.582 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 8.926 1.376 -2.960 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 9.143 1.015 -2.100 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 8.071 1.002 -3.170 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 9.505 -0.159 -0.722 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 10.238 0.095 -0.161 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 8.725 0.045 -0.207 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 6.838 -2.395 -2.801 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 7.061 -2.813 -1.969 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 6.236 -3.008 -3.223 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 8.123 4.163 -4.808 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 8.340 3.231 -4.839 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 8.370 4.437 -3.924 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 11.931 4.969 1.165 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 12.699 4.510 1.506 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 11.910 4.743 0.235 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.241 -0.140 0.499 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 7.385 -1.042 0.213 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 6.468 0.146 0.011 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.073 -2.940 -0.081 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.481 -3.797 -0.202 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 7.813 -2.925 0.840 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 6.465 -6.434 -0.842 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 7.384 -6.556 -0.606 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 6.015 -7.184 -0.453 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 11.413 4.023 -4.080 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 10.988 4.832 -4.363 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 12.318 4.108 -4.382 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 8.815 7.279 -4.033 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.095 7.719 -4.484 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 8.449 7.028 -3.184 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 7.348 0.948 5.518 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 7.076 1.177 4.629 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 7.393 1.786 5.978 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 6.428 2.833 11.737 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 7.374 2.689 11.718 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 6.315 3.617 12.274 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 5.994 -7.752 8.704 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 6.625 -7.781 9.424 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 6.444 -8.177 7.974 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 6.838 -2.395 16.055 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 7.061 -2.813 16.887 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 6.236 -3.008 15.633 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 12.205 2.662 8.145 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.732 3.435 7.944 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 11.325 2.887 7.843 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 7.960 -2.476 2.732 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 8.576 -1.849 3.111 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 7.098 -2.160 3.003 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 12.316 5.347 7.266 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 11.366 5.452 7.318 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 12.667 6.167 7.611 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 8.472 -7.642 15.613 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 7.579 -7.303 15.546 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 8.373 -8.497 16.031 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 12.922 2.184 3.714 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 13.069 1.664 4.504 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 12.919 3.091 4.020 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 9.375 -0.563 4.224 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.689 -0.211 4.791 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 9.898 0.200 3.978 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 12.998 4.925 4.445 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 13.159 5.725 3.944 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 12.801 5.232 5.330 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 9.991 2.051 3.121 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.583 2.750 3.397 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 10.450 1.618 2.402 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 9.115 -10.503 10.910 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 8.886 -10.444 9.983 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 8.672 -11.295 11.217 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 11.582 0.204 1.487 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 11.646 -0.590 2.018 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 12.235 0.085 0.798 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 9.019 -7.457 18.848 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 9.230 -8.164 18.237 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 8.907 -7.895 19.692 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.700 7.110 3.057 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 14.633 7.268 3.201 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.436 7.785 2.432 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 6.787 5.220 9.422 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 6.453 4.339 9.594 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 7.009 5.565 10.286 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 6.465 -6.434 18.014 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 7.384 -6.556 18.250 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 6.015 -7.184 18.403 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 7.686 -8.122 10.905 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 8.131 -8.914 11.207 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 8.152 -7.406 11.336 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 5.990 -5.123 11.974 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 6.482 -5.344 11.184 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 6.352 -4.282 12.255 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 6.303 -8.865 6.029 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 5.378 -8.656 5.899 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 6.757 -8.381 5.339 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 6.267 -10.127 14.373 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 5.602 -10.373 15.016 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 5.824 -9.505 13.796 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 8.230 5.902 11.734 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 8.211 5.477 12.591 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 9.035 5.584 11.325 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 10.371 4.612 10.389 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 10.152 3.696 10.558 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 11.195 4.752 10.855 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 8.743 -10.620 8.204 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 7.966 -10.854 7.696 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 9.274 -11.417 8.212 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 7.580 -10.822 4.007 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 8.019 -10.211 3.416 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 6.946 -10.284 4.481 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.701 -10.106 17.721 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 8.335 -10.871 18.164 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.614 -10.077 18.008 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 7.269 -7.006 22.984 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 7.743 -6.415 22.399 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 6.551 -6.475 23.331 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 6.303 -8.865 24.885 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 5.378 -8.656 24.755 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 6.757 -8.381 24.195 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.580 -10.822 22.863 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 8.019 -10.211 22.272 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 6.946 -10.284 23.337 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 9.441 -8.906 21.306 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 9.932 -9.536 20.778 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 10.064 -8.610 21.969 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 9.019 11.399 -0.008 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 9.230 10.692 -0.619 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 8.907 10.961 0.836 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 6.465 12.422 -0.842 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 7.384 12.300 -0.606 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 6.015 11.672 -0.453 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 6.267 8.729 -4.483 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 5.602 8.483 -3.840 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 5.824 9.351 -5.060 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 8.701 8.750 -1.135 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 8.335 7.985 -0.692 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 9.614 8.779 -0.848 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 10.674 8.101 0.401 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 11.573 7.827 0.216 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 10.288 7.358 0.865 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 5.994 11.104 8.704 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 6.625 11.075 9.424 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 6.444 10.679 7.974 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 7.269 11.850 4.128 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 7.743 12.441 3.543 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 6.551 12.381 4.475 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 9.043 12.945 7.812 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 8.154 13.045 7.472 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 9.339 12.103 7.466 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 10.537 10.240 7.290 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 10.220 9.338 7.255 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 11.318 10.242 6.738 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 11.732 10.479 4.061 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 11.649 11.368 4.407 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 12.622 10.214 4.292 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 8.307 13.571 2.237 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.262 14.510 2.416 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 7.419 13.335 1.967 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 9.115 8.353 10.910 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 8.886 8.412 9.983 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 8.672 7.561 11.217 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.686 10.734 10.905 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 8.131 9.942 11.207 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 8.152 11.450 11.336 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 6.303 9.991 6.029 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 5.378 10.200 5.899 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 6.757 10.475 5.339 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 8.743 8.236 8.204 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.966 8.002 7.696 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 9.274 7.439 8.212 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 13.323 8.163 8.017 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 14.197 8.551 7.987 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 13.187 7.948 8.940 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.441 9.950 2.450 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.932 9.320 1.922 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 10.064 10.246 3.113 0.00 0.00 WAT1 END