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 14:30:11 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -7.039 0.837 -18.085 1.00 43.21 ATOM 2 CB MET 1 -5.861 1.956 -19.476 1.00 12.43 ATOM 3 HB1 MET 1 -6.715 2.231 -20.080 1.00 36.85 ATOM 4 HB2 MET 1 -5.424 1.051 -19.878 1.00 73.13 ATOM 5 CG MET 1 -4.821 3.063 -19.549 1.00 72.40 ATOM 6 HG1 MET 1 -3.845 2.621 -19.412 1.00 36.85 ATOM 7 HG2 MET 1 -4.996 3.780 -18.763 1.00 4.21 ATOM 8 SD MET 1 -4.836 3.926 -21.132 1.00 12.33 ATOM 9 CE MET 1 -4.527 5.609 -20.602 1.00 43.10 ATOM 10 HE1 MET 1 -3.576 5.657 -20.093 1.00 10.01 ATOM 11 HE2 MET 1 -5.312 5.925 -19.930 1.00 41.03 ATOM 12 HE3 MET 1 -4.507 6.260 -21.464 1.00 11.22 ATOM 13 C MET 1 -5.178 1.332 -17.152 1.00 21.54 ATOM 14 O MET 1 -4.444 2.214 -16.708 1.00 54.14 ATOM 15 N MET 1 -7.089 2.827 -17.539 1.00 34.40 ATOM 16 HT1 MET 1 -7.854 3.098 -18.195 1.00 36.85 ATOM 17 HT2 MET 1 -6.462 3.646 -17.402 1.00 36.85 ATOM 18 HT3 MET 1 -7.521 2.588 -16.622 1.00 36.85 ATOM 19 CA MET 1 -6.357 1.676 -18.056 1.00 11.32 ATOM 20 N GLY 2 -5.002 0.041 -16.882 1.00 10.44 ATOM 21 HN GLY 2 -5.613 -0.628 -17.274 1.00 36.85 ATOM 22 CA GLY 2 -3.911 -0.396 -16.031 1.00 64.31 ATOM 23 HA1 GLY 2 -3.748 0.330 -15.243 1.00 36.85 ATOM 24 HA2 GLY 2 -3.014 -0.468 -16.627 1.00 11.15 ATOM 25 C GLY 2 -4.179 -1.744 -15.391 1.00 50.10 ATOM 26 O GLY 2 -5.149 -2.420 -15.735 1.00 20.55 ATOM 27 N HIS 3 -3.317 -2.137 -14.458 1.00 40.45 ATOM 28 HN HIS 3 -2.549 -1.561 -14.231 1.00 36.85 ATOM 29 CA HIS 3 -3.465 -3.414 -13.769 1.00 53.44 ATOM 30 HA HIS 3 -4.489 -3.760 -13.882 1.00 35.10 ATOM 31 CB HIS 3 -2.519 -4.454 -14.370 1.00 13.12 ATOM 32 HB1 HIS 3 -2.391 -5.276 -13.676 1.00 36.85 ATOM 33 HB2 HIS 3 -1.557 -3.998 -14.554 1.00 41.22 ATOM 34 CG HIS 3 -3.008 -5.033 -15.661 1.00 72.35 ATOM 35 ND1 HIS 3 -2.321 -4.908 -16.850 1.00 51.24 ATOM 36 HD1 HIS 3 -1.468 -4.441 -16.972 1.00 71.13 ATOM 37 CD2 HIS 3 -4.123 -5.747 -15.946 1.00 42.52 ATOM 38 HD2 HIS 3 -4.895 -6.036 -15.247 1.00 22.42 ATOM 39 CE1 HIS 3 -2.993 -5.517 -17.811 1.00 22.10 ATOM 40 HE1 HIS 3 -2.695 -5.582 -18.847 1.00 51.00 ATOM 41 NE2 HIS 3 -4.090 -6.035 -17.288 1.00 41.14 ATOM 42 HE2 HIS 3 -4.720 -6.618 -17.761 1.00 36.85 ATOM 43 C HIS 3 -3.191 -3.260 -12.276 1.00 64.44 ATOM 44 O HIS 3 -2.465 -2.358 -11.858 1.00 2.04 ATOM 45 N HIS 4 -3.776 -4.147 -11.478 1.00 20.32 ATOM 46 HN HIS 4 -4.305 -4.874 -11.875 1.00 36.85 ATOM 47 CA HIS 4 -3.594 -4.110 -10.031 1.00 73.30 ATOM 48 HA HIS 4 -3.061 -3.204 -9.764 1.00 23.41 ATOM 49 CB HIS 4 -4.951 -4.080 -9.326 1.00 43.31 ATOM 50 HB1 HIS 4 -5.390 -3.102 -9.464 1.00 36.85 ATOM 51 HB2 HIS 4 -4.820 -4.257 -8.266 1.00 14.23 ATOM 52 CG HIS 4 -5.922 -5.091 -9.852 1.00 21.41 ATOM 53 ND1 HIS 4 -6.688 -4.884 -10.980 1.00 22.24 ATOM 54 HD1 HIS 4 -6.679 -4.079 -11.539 1.00 51.22 ATOM 55 CD2 HIS 4 -6.249 -6.324 -9.398 1.00 65.24 ATOM 56 HD2 HIS 4 -5.840 -6.815 -8.526 1.00 43.31 ATOM 57 CE1 HIS 4 -7.445 -5.945 -11.196 1.00 42.01 ATOM 58 HE1 HIS 4 -8.146 -6.066 -12.008 1.00 25.14 ATOM 59 NE2 HIS 4 -7.197 -6.834 -10.251 1.00 1.42 ATOM 60 HE2 HIS 4 -7.690 -7.671 -10.119 1.00 36.85 ATOM 61 C HIS 4 -2.787 -5.314 -9.554 1.00 2.30 ATOM 62 O HIS 4 -3.216 -6.459 -9.699 1.00 65.01 ATOM 63 N HIS 5 -1.616 -5.047 -8.985 1.00 4.51 ATOM 64 HN HIS 5 -1.323 -4.113 -8.883 1.00 36.85 ATOM 65 CA HIS 5 -0.748 -6.108 -8.487 1.00 1.24 ATOM 66 HA HIS 5 -1.196 -7.071 -8.701 1.00 25.34 ATOM 67 CB HIS 5 0.614 -6.049 -9.179 1.00 3.14 ATOM 68 HB1 HIS 5 0.473 -6.189 -10.241 1.00 36.85 ATOM 69 HB2 HIS 5 1.245 -6.842 -8.800 1.00 52.12 ATOM 70 CG HIS 5 1.333 -4.750 -8.977 1.00 74.24 ATOM 71 ND1 HIS 5 2.138 -4.497 -7.887 1.00 51.42 ATOM 72 HD1 HIS 5 2.319 -5.119 -7.152 1.00 62.40 ATOM 73 CD2 HIS 5 1.365 -3.630 -9.736 1.00 12.52 ATOM 74 HD2 HIS 5 0.846 -3.475 -10.671 1.00 33.30 ATOM 75 CE1 HIS 5 2.633 -3.276 -7.983 1.00 10.52 ATOM 76 HE1 HIS 5 3.297 -2.806 -7.272 1.00 0.44 ATOM 77 NE2 HIS 5 2.180 -2.728 -9.096 1.00 74.10 ATOM 78 HE2 HIS 5 2.470 -1.865 -9.459 1.00 36.85 ATOM 79 C HIS 5 -0.569 -5.999 -6.975 1.00 51.23 ATOM 80 O HIS 5 0.479 -6.356 -6.436 1.00 42.45 ATOM 81 N HIS 6 -1.599 -5.503 -6.297 1.00 1.24 ATOM 82 HN HIS 6 -2.420 -5.236 -6.769 1.00 36.85 ATOM 83 CA HIS 6 -1.555 -5.347 -4.847 1.00 51.41 ATOM 84 HA HIS 6 -0.731 -5.926 -4.449 1.00 33.21 ATOM 85 CB HIS 6 -1.341 -3.879 -4.477 1.00 43.44 ATOM 86 HB1 HIS 6 -0.322 -3.611 -4.717 1.00 36.85 ATOM 87 HB2 HIS 6 -1.496 -3.734 -3.416 1.00 13.21 ATOM 88 CG HIS 6 -2.240 -2.937 -5.218 1.00 2.01 ATOM 89 ND1 HIS 6 -1.998 -2.527 -6.512 1.00 51.11 ATOM 90 HD1 HIS 6 -1.237 -2.799 -7.066 1.00 63.04 ATOM 91 CD2 HIS 6 -3.387 -2.326 -4.839 1.00 44.11 ATOM 92 HD2 HIS 6 -3.877 -2.420 -3.880 1.00 41.11 ATOM 93 CE1 HIS 6 -2.956 -1.703 -6.897 1.00 14.13 ATOM 94 HE1 HIS 6 -3.028 -1.225 -7.863 1.00 31.14 ATOM 95 NE2 HIS 6 -3.812 -1.565 -5.900 1.00 1.41 ATOM 96 HE2 HIS 6 -4.664 -1.083 -5.950 1.00 36.85 ATOM 97 C HIS 6 -2.840 -5.862 -4.206 1.00 60.50 ATOM 98 O HIS 6 -3.379 -5.245 -3.287 1.00 2.21 ATOM 99 N HIS 7 -3.326 -6.998 -4.697 1.00 55.24 ATOM 100 HN HIS 7 -2.855 -7.453 -5.434 1.00 36.85 ATOM 101 CA HIS 7 -4.549 -7.596 -4.172 1.00 65.54 ATOM 102 HA HIS 7 -4.611 -7.373 -3.111 1.00 51.53 ATOM 103 CB HIS 7 -5.773 -7.004 -4.871 1.00 63.11 ATOM 104 HB1 HIS 7 -5.742 -7.254 -5.923 1.00 36.85 ATOM 105 HB2 HIS 7 -5.751 -5.930 -4.764 1.00 53.12 ATOM 106 CG HIS 7 -7.075 -7.492 -4.314 1.00 3.30 ATOM 107 ND1 HIS 7 -8.071 -8.037 -5.096 1.00 40.42 ATOM 108 HD1 HIS 7 -8.034 -8.159 -6.068 1.00 34.14 ATOM 109 CD2 HIS 7 -7.540 -7.516 -3.043 1.00 54.23 ATOM 110 HD2 HIS 7 -7.019 -7.166 -2.163 1.00 63.45 ATOM 111 CE1 HIS 7 -9.094 -8.373 -4.331 1.00 21.20 ATOM 112 HE1 HIS 7 -10.016 -8.822 -4.670 1.00 62.01 ATOM 113 NE2 HIS 7 -8.797 -8.068 -3.081 1.00 11.04 ATOM 114 HE2 HIS 7 -9.343 -8.295 -2.299 1.00 36.85 ATOM 115 C HIS 7 -4.531 -9.112 -4.350 1.00 4.25 ATOM 116 O HIS 7 -4.090 -9.621 -5.381 1.00 34.55 ATOM 117 N HIS 8 -5.011 -9.827 -3.337 1.00 53.13 ATOM 118 HN HIS 8 -5.341 -9.369 -2.529 1.00 36.85 ATOM 119 CA HIS 8 -5.050 -11.284 -3.381 1.00 72.34 ATOM 120 HA HIS 8 -4.887 -11.617 -4.399 1.00 1.25 ATOM 121 CB HIS 8 -3.951 -11.872 -2.496 1.00 44.13 ATOM 122 HB1 HIS 8 -2.990 -11.596 -2.906 1.00 36.85 ATOM 123 HB2 HIS 8 -4.032 -12.951 -2.485 1.00 50.22 ATOM 124 CG HIS 8 -4.001 -11.390 -1.079 1.00 33.50 ATOM 125 ND1 HIS 8 -2.907 -10.871 -0.421 1.00 44.42 ATOM 126 HD1 HIS 8 -2.009 -10.767 -0.798 1.00 3.04 ATOM 127 CD2 HIS 8 -5.024 -11.351 -0.194 1.00 13.34 ATOM 128 HD2 HIS 8 -6.031 -11.701 -0.353 1.00 22.23 ATOM 129 CE1 HIS 8 -3.254 -10.533 0.808 1.00 24.41 ATOM 130 HE1 HIS 8 -2.602 -10.099 1.552 1.00 73.30 ATOM 131 NE2 HIS 8 -4.534 -10.814 0.971 1.00 21.25 ATOM 132 HE2 HIS 8 -5.068 -10.577 1.758 1.00 36.85 ATOM 133 C HIS 8 -6.413 -11.805 -2.934 1.00 24.13 ATOM 134 O HIS 8 -7.238 -11.051 -2.418 1.00 45.21 ATOM 135 N SER 9 -6.642 -13.099 -3.135 1.00 45.10 ATOM 136 HN SER 9 -5.935 -13.658 -3.538 1.00 36.85 ATOM 137 CA SER 9 -7.906 -13.719 -2.756 1.00 64.53 ATOM 138 HA SER 9 -8.708 -13.017 -2.950 1.00 71.25 ATOM 139 CB SER 9 -8.150 -14.978 -3.591 1.00 74.00 ATOM 140 HB1 SER 9 -7.334 -15.671 -3.444 1.00 36.85 ATOM 141 HB2 SER 9 -8.208 -14.709 -4.636 1.00 21.23 ATOM 142 OG SER 9 -9.361 -15.612 -3.215 1.00 41.33 ATOM 143 HG SER 9 -10.103 -15.163 -3.628 1.00 11.30 ATOM 144 C SER 9 -7.915 -14.070 -1.272 1.00 32.44 ATOM 145 O SER 9 -8.859 -13.744 -0.551 1.00 21.32 ATOM 146 N HIS 10 -6.858 -14.738 -0.821 1.00 4.32 ATOM 147 HN HIS 10 -6.139 -14.991 -1.448 1.00 36.85 ATOM 148 CA HIS 10 -6.743 -15.133 0.578 1.00 23.24 ATOM 149 HA HIS 10 -7.317 -14.434 1.172 1.00 43.01 ATOM 150 CB HIS 10 -7.313 -16.537 0.782 1.00 73.10 ATOM 151 HB1 HIS 10 -8.392 -16.476 0.781 1.00 36.85 ATOM 152 HB2 HIS 10 -6.987 -16.942 1.729 1.00 60.54 ATOM 153 CG HIS 10 -6.910 -17.508 -0.285 1.00 12.12 ATOM 154 ND1 HIS 10 -7.817 -18.138 -1.111 1.00 50.40 ATOM 155 HD1 HIS 10 -8.790 -18.022 -1.087 1.00 74.42 ATOM 156 CD2 HIS 10 -5.689 -17.955 -0.660 1.00 3.25 ATOM 157 HD2 HIS 10 -4.741 -17.669 -0.226 1.00 33.34 ATOM 158 CE1 HIS 10 -7.171 -18.931 -1.947 1.00 20.15 ATOM 159 HE1 HIS 10 -7.623 -19.549 -2.709 1.00 72.23 ATOM 160 NE2 HIS 10 -5.878 -18.838 -1.694 1.00 21.23 ATOM 161 HE2 HIS 10 -5.181 -19.391 -2.105 1.00 36.85 ATOM 162 C HIS 10 -5.288 -15.091 1.037 1.00 32.03 ATOM 163 O HIS 10 -4.357 -15.167 0.236 1.00 64.31 ATOM 164 N PRO 11 -5.087 -14.966 2.357 1.00 1.24 ATOM 165 CA PRO 11 -3.748 -14.910 2.952 1.00 33.34 ATOM 166 HA PRO 11 -3.148 -14.135 2.493 1.00 62.03 ATOM 167 CB PRO 11 -4.024 -14.541 4.412 1.00 20.32 ATOM 168 HB1 PRO 11 -3.962 -13.469 4.526 1.00 36.85 ATOM 169 HB2 PRO 11 -3.308 -15.015 5.073 1.00 25.15 ATOM 170 CG PRO 11 -5.409 -15.025 4.670 1.00 12.10 ATOM 171 HG1 PRO 11 -5.871 -14.424 5.439 1.00 36.85 ATOM 172 HG2 PRO 11 -5.386 -16.063 4.966 1.00 23.31 ATOM 173 CD PRO 11 -6.151 -14.869 3.371 1.00 23.31 ATOM 174 HD1 PRO 11 -6.636 -13.905 3.329 1.00 36.85 ATOM 175 HD2 PRO 11 -6.873 -15.656 3.271 1.00 64.35 ATOM 176 C PRO 11 -3.021 -16.248 2.869 1.00 11.12 ATOM 177 O PRO 11 -3.603 -17.299 3.135 1.00 41.23 ATOM 178 N ASN 12 -1.745 -16.201 2.499 1.00 13.33 ATOM 179 HN ASN 12 -1.331 -15.320 2.343 1.00 36.85 ATOM 180 CA ASN 12 -0.939 -17.410 2.381 1.00 5.13 ATOM 181 HA ASN 12 -1.433 -18.080 1.689 1.00 42.41 ATOM 182 CB ASN 12 0.448 -17.071 1.831 1.00 4.13 ATOM 183 HB1 ASN 12 0.920 -17.976 1.479 1.00 36.85 ATOM 184 HB2 ASN 12 1.054 -16.638 2.618 1.00 4.33 ATOM 185 CG ASN 12 0.389 -16.090 0.677 1.00 55.43 ATOM 186 OD1 ASN 12 -0.529 -16.133 -0.143 1.00 32.33 ATOM 187 ND2 ASN 12 1.370 -15.198 0.607 1.00 50.21 ATOM 188 HD21 ASN 12 2.079 -15.209 1.290 1.00 61.34 ATOM 189 HD22 ASN 12 1.349 -14.555 -0.132 1.00 54.01 ATOM 190 C ASN 12 -0.806 -18.109 3.731 1.00 62.22 ATOM 191 O ASN 12 -1.416 -17.697 4.717 1.00 71.15 ATOM 192 N GLU 13 -0.004 -19.169 3.766 1.00 44.32 ATOM 193 HN GLU 13 0.445 -19.469 2.942 1.00 36.85 ATOM 194 CA GLU 13 0.209 -19.925 4.994 1.00 13.14 ATOM 195 HA GLU 13 -0.752 -20.192 5.383 1.00 50.40 ATOM 196 CB GLU 13 1.003 -21.200 4.704 1.00 71.11 ATOM 197 HB1 GLU 13 2.017 -20.930 4.433 1.00 36.85 ATOM 198 HB2 GLU 13 0.544 -21.708 3.868 1.00 4.11 ATOM 199 CG GLU 13 1.049 -22.168 5.874 1.00 25.02 ATOM 200 HG1 GLU 13 0.088 -22.631 5.983 1.00 36.85 ATOM 201 HG2 GLU 13 1.286 -21.627 6.779 1.00 34.22 ATOM 202 CD GLU 13 2.089 -23.256 5.690 1.00 24.21 ATOM 203 OE1 GLU 13 2.061 -23.934 4.642 1.00 52.23 ATOM 204 OE2 GLU 13 2.932 -23.430 6.595 1.00 2.34 ATOM 205 C GLU 13 0.943 -19.081 6.033 1.00 75.13 ATOM 206 O GLU 13 0.511 -18.977 7.180 1.00 34.52 ATOM 207 N GLU 14 2.055 -18.481 5.620 1.00 13.12 ATOM 208 HN GLU 14 2.343 -18.591 4.682 1.00 36.85 ATOM 209 CA GLU 14 2.849 -17.648 6.515 1.00 42.40 ATOM 210 HA GLU 14 3.068 -18.221 7.407 1.00 23.22 ATOM 211 CB GLU 14 4.170 -17.259 5.847 1.00 21.15 ATOM 212 HB1 GLU 14 4.749 -16.656 6.534 1.00 36.85 ATOM 213 HB2 GLU 14 3.951 -16.672 4.964 1.00 54.44 ATOM 214 CG GLU 14 5.018 -18.451 5.436 1.00 74.15 ATOM 215 HG1 GLU 14 4.398 -19.182 4.937 1.00 36.85 ATOM 216 HG2 GLU 14 5.444 -18.893 6.324 1.00 52.13 ATOM 217 CD GLU 14 6.146 -18.068 4.498 1.00 61.32 ATOM 218 OE1 GLU 14 5.859 -17.483 3.432 1.00 34.43 ATOM 219 OE2 GLU 14 7.316 -18.354 4.829 1.00 52.44 ATOM 220 C GLU 14 2.080 -16.392 6.915 1.00 42.31 ATOM 221 O GLU 14 2.288 -15.841 7.996 1.00 64.43 ATOM 222 N ALA 15 1.191 -15.944 6.034 1.00 31.15 ATOM 223 HN ALA 15 1.071 -16.414 5.176 1.00 36.85 ATOM 224 CA ALA 15 0.390 -14.755 6.295 1.00 13.23 ATOM 225 HA ALA 15 1.050 -13.965 6.634 1.00 13.12 ATOM 226 CB ALA 15 -0.283 -14.280 5.016 1.00 62.34 ATOM 227 HB1 ALA 15 -0.807 -13.353 5.204 1.00 74.23 ATOM 228 HB2 ALA 15 -0.984 -15.027 4.675 1.00 42.42 ATOM 229 HB3 ALA 15 0.467 -14.119 4.256 1.00 51.34 ATOM 230 C ALA 15 -0.653 -15.021 7.376 1.00 71.44 ATOM 231 O ALA 15 -0.794 -14.245 8.321 1.00 65.41 ATOM 232 N ARG 16 -1.382 -16.123 7.229 1.00 53.34 ATOM 233 HN ARG 16 -1.221 -16.710 6.452 1.00 36.85 ATOM 234 CA ARG 16 -2.414 -16.490 8.191 1.00 22.02 ATOM 235 HA ARG 16 -3.035 -15.622 8.374 1.00 73.11 ATOM 236 CB ARG 16 -3.292 -17.609 7.628 1.00 50.33 ATOM 237 HB1 ARG 16 -3.623 -17.326 6.639 1.00 36.85 ATOM 238 HB2 ARG 16 -4.156 -17.722 8.268 1.00 22.41 ATOM 239 CG ARG 16 -2.583 -18.950 7.531 1.00 0.34 ATOM 240 HG1 ARG 16 -2.195 -19.226 8.487 1.00 36.85 ATOM 241 HG2 ARG 16 -1.779 -18.860 6.827 1.00 44.24 ATOM 242 CD ARG 16 -3.525 -20.045 7.057 1.00 61.12 ATOM 243 HD1 ARG 16 -4.220 -19.615 6.345 1.00 36.85 ATOM 244 HD2 ARG 16 -4.071 -20.425 7.908 1.00 21.42 ATOM 245 NE ARG 16 -2.807 -21.148 6.423 1.00 0.21 ATOM 246 HE ARG 16 -1.854 -21.259 6.637 1.00 20.54 ATOM 247 CZ ARG 16 -3.379 -22.022 5.602 1.00 3.51 ATOM 248 NH1 ARG 16 -4.670 -21.921 5.316 1.00 24.34 ATOM 249 HH11 ARG 16 -5.239 -21.202 5.705 1.00 33.03 ATOM 250 HH12 ARG 16 -5.090 -22.584 4.692 1.00 54.11 ATOM 251 NH2 ARG 16 -2.659 -22.998 5.064 1.00 2.14 ATOM 252 HH21 ARG 16 -1.690 -23.082 5.272 1.00 13.52 ATOM 253 HH22 ARG 16 -3.090 -23.657 4.444 1.00 41.11 ATOM 254 C ARG 16 -1.792 -16.934 9.512 1.00 3.40 ATOM 255 O ARG 16 -2.353 -16.702 10.584 1.00 43.32 ATOM 256 N LEU 17 -0.630 -17.573 9.428 1.00 52.34 ATOM 257 HN LEU 17 -0.231 -17.747 8.544 1.00 36.85 ATOM 258 CA LEU 17 0.069 -18.050 10.616 1.00 13.30 ATOM 259 HA LEU 17 -0.602 -18.696 11.167 1.00 24.23 ATOM 260 CB LEU 17 1.306 -18.854 10.215 1.00 23.53 ATOM 261 HB1 LEU 17 1.850 -18.281 9.476 1.00 36.85 ATOM 262 HB2 LEU 17 0.968 -19.772 9.752 1.00 70.12 ATOM 263 CG LEU 17 2.271 -19.210 11.347 1.00 30.30 ATOM 264 HG LEU 17 2.671 -18.309 11.772 1.00 35.13 ATOM 265 CD1 LEU 17 1.546 -19.968 12.448 1.00 13.23 ATOM 266 HD11 LEU 17 1.107 -20.868 12.045 1.00 75.23 ATOM 267 HD12 LEU 17 0.775 -19.353 12.882 1.00 33.22 ATOM 268 HD13 LEU 17 2.259 -20.220 13.197 1.00 71.21 ATOM 269 CD2 LEU 17 3.439 -20.028 10.815 1.00 40.20 ATOM 270 HD21 LEU 17 3.075 -20.836 10.204 1.00 3.50 ATOM 271 HD22 LEU 17 4.020 -20.429 11.635 1.00 65.41 ATOM 272 HD23 LEU 17 4.070 -19.391 10.214 1.00 4.12 ATOM 273 C LEU 17 0.474 -16.885 11.513 1.00 3.14 ATOM 274 O LEU 17 0.431 -16.988 12.739 1.00 31.44 ATOM 275 N ASP 18 0.866 -15.777 10.895 1.00 41.35 ATOM 276 HN ASP 18 0.904 -15.756 9.910 1.00 36.85 ATOM 277 CA ASP 18 1.276 -14.590 11.637 1.00 21.41 ATOM 278 HA ASP 18 2.184 -14.837 12.170 1.00 53.43 ATOM 279 CB ASP 18 1.552 -13.432 10.677 1.00 23.03 ATOM 280 HB1 ASP 18 0.619 -13.054 10.280 1.00 36.85 ATOM 281 HB2 ASP 18 2.162 -13.791 9.861 1.00 32.25 ATOM 282 CG ASP 18 2.289 -12.289 11.347 1.00 40.42 ATOM 283 OD1 ASP 18 3.097 -12.557 12.261 1.00 73.10 ATOM 284 OD2 ASP 18 2.059 -11.125 10.956 1.00 34.30 ATOM 285 C ASP 18 0.208 -14.186 12.648 1.00 11.02 ATOM 286 O ASP 18 0.512 -13.903 13.807 1.00 21.34 ATOM 287 N ILE 19 -1.043 -14.160 12.201 1.00 50.30 ATOM 288 HN ILE 19 -1.222 -14.426 11.271 1.00 36.85 ATOM 289 CA ILE 19 -2.156 -13.790 13.067 1.00 43.12 ATOM 290 HA ILE 19 -2.011 -12.762 13.377 1.00 23.02 ATOM 291 CB ILE 19 -3.503 -13.890 12.326 1.00 5.44 ATOM 292 HB ILE 19 -3.655 -14.922 12.037 1.00 24.31 ATOM 293 CG1 ILE 19 -3.486 -13.014 11.072 1.00 65.24 ATOM 294 HG11 ILE 19 -2.566 -13.153 10.527 1.00 36.85 ATOM 295 HG12 ILE 19 -3.566 -11.974 11.355 1.00 73.43 ATOM 296 CG2 ILE 19 -4.644 -13.484 13.247 1.00 51.34 ATOM 297 HG21 ILE 19 -4.764 -14.223 14.020 1.00 12.01 ATOM 298 HG22 ILE 19 -5.566 -13.419 12.687 1.00 0.14 ATOM 299 HG23 ILE 19 -4.432 -12.523 13.697 1.00 52.23 ATOM 300 CD1 ILE 19 -4.614 -13.314 10.110 1.00 32.32 ATOM 301 HD11 ILE 19 -4.479 -12.734 9.209 1.00 2.55 ATOM 302 HD12 ILE 19 -5.557 -13.053 10.564 1.00 73.40 ATOM 303 HD13 ILE 19 -4.611 -14.366 9.863 1.00 75.14 ATOM 304 C ILE 19 -2.204 -14.674 14.308 1.00 30.40 ATOM 305 O ILE 19 -2.470 -14.199 15.413 1.00 44.11 ATOM 306 N LEU 20 -1.944 -15.963 14.119 1.00 31.45 ATOM 307 HN LEU 20 -1.744 -16.291 13.210 1.00 36.85 ATOM 308 CA LEU 20 -1.956 -16.916 15.224 1.00 3.14 ATOM 309 HA LEU 20 -2.871 -16.773 15.787 1.00 53.12 ATOM 310 CB LEU 20 -1.920 -18.348 14.689 1.00 24.41 ATOM 311 HB1 LEU 20 -1.478 -18.986 15.449 1.00 36.85 ATOM 312 HB2 LEU 20 -1.256 -18.362 13.835 1.00 20.33 ATOM 313 CG LEU 20 -3.267 -18.947 14.282 1.00 25.13 ATOM 314 HG LEU 20 -4.019 -18.184 14.310 1.00 34.25 ATOM 315 CD1 LEU 20 -3.202 -19.491 12.863 1.00 14.44 ATOM 316 HD11 LEU 20 -2.935 -18.695 12.182 1.00 61.52 ATOM 317 HD12 LEU 20 -4.168 -19.889 12.582 1.00 10.21 ATOM 318 HD13 LEU 20 -2.460 -20.276 12.806 1.00 53.14 ATOM 319 CD2 LEU 20 -3.680 -20.041 15.256 1.00 0.22 ATOM 320 HD21 LEU 20 -2.947 -20.836 15.245 1.00 21.11 ATOM 321 HD22 LEU 20 -4.644 -20.438 14.969 1.00 33.41 ATOM 322 HD23 LEU 20 -3.749 -19.631 16.254 1.00 62.51 ATOM 323 C LEU 20 -0.774 -16.680 16.159 1.00 65.20 ATOM 324 O LEU 20 -0.908 -16.760 17.380 1.00 23.42 ATOM 325 N LYS 21 0.384 -16.387 15.577 1.00 5.33 ATOM 326 HN LYS 21 0.437 -16.346 14.593 1.00 36.85 ATOM 327 CA LYS 21 1.591 -16.135 16.357 1.00 72.22 ATOM 328 HA LYS 21 1.729 -16.956 17.042 1.00 20.25 ATOM 329 CB LYS 21 2.810 -16.053 15.436 1.00 40.44 ATOM 330 HB1 LYS 21 3.640 -15.611 15.975 1.00 36.85 ATOM 331 HB2 LYS 21 2.563 -15.417 14.596 1.00 51.40 ATOM 332 CG LYS 21 3.267 -17.402 14.909 1.00 51.12 ATOM 333 HG1 LYS 21 2.413 -17.962 14.551 1.00 36.85 ATOM 334 HG2 LYS 21 3.738 -17.928 15.720 1.00 24.03 ATOM 335 CD LYS 21 4.271 -17.248 13.779 1.00 63.41 ATOM 336 HD1 LYS 21 4.971 -16.459 14.026 1.00 36.85 ATOM 337 HD2 LYS 21 3.750 -16.988 12.875 1.00 2.34 ATOM 338 CE LYS 21 5.058 -18.531 13.554 1.00 13.22 ATOM 339 HE1 LYS 21 4.377 -19.373 13.546 1.00 36.85 ATOM 340 HE2 LYS 21 5.765 -18.650 14.361 1.00 41.03 ATOM 341 NZ LYS 21 5.800 -18.507 12.264 1.00 62.14 ATOM 342 HZ1 LYS 21 6.060 -19.475 11.986 1.00 22.42 ATOM 343 HZ2 LYS 21 6.670 -17.948 12.367 1.00 0.12 ATOM 344 HZ3 LYS 21 5.222 -18.084 11.508 1.00 73.32 ATOM 345 C LYS 21 1.460 -14.846 17.161 1.00 12.22 ATOM 346 O LYS 21 1.965 -14.747 18.280 1.00 61.42 ATOM 347 N ILE 22 0.778 -13.861 16.585 1.00 22.34 ATOM 348 HN ILE 22 0.402 -13.987 15.683 1.00 36.85 ATOM 349 CA ILE 22 0.579 -12.580 17.251 1.00 42.34 ATOM 350 HA ILE 22 1.525 -12.266 17.681 1.00 60.25 ATOM 351 CB ILE 22 0.120 -11.495 16.258 1.00 61.41 ATOM 352 HB ILE 22 -0.815 -11.818 15.819 1.00 24.25 ATOM 353 CG1 ILE 22 1.164 -11.308 15.155 1.00 73.22 ATOM 354 HG11 ILE 22 1.660 -12.240 14.940 1.00 36.85 ATOM 355 HG12 ILE 22 1.911 -10.595 15.478 1.00 24.54 ATOM 356 CG2 ILE 22 -0.131 -10.183 16.986 1.00 63.14 ATOM 357 HG21 ILE 22 0.725 -9.931 17.597 1.00 52.20 ATOM 358 HG22 ILE 22 -1.008 -10.268 17.610 1.00 33.55 ATOM 359 HG23 ILE 22 -0.296 -9.393 16.265 1.00 14.31 ATOM 360 CD1 ILE 22 0.584 -10.795 13.855 1.00 20.13 ATOM 361 HD11 ILE 22 -0.038 -9.932 14.050 1.00 15.21 ATOM 362 HD12 ILE 22 -0.008 -11.563 13.388 1.00 2.43 ATOM 363 HD13 ILE 22 1.387 -10.507 13.200 1.00 22.14 ATOM 364 C ILE 22 -0.449 -12.696 18.371 1.00 41.41 ATOM 365 O ILE 22 -0.321 -12.055 19.415 1.00 44.13 ATOM 366 N HIS 23 -1.469 -13.519 18.148 1.00 3.30 ATOM 367 HN HIS 23 -1.527 -14.007 17.293 1.00 36.85 ATOM 368 CA HIS 23 -2.519 -13.721 19.140 1.00 24.11 ATOM 369 HA HIS 23 -2.699 -12.783 19.648 1.00 42.23 ATOM 370 CB HIS 23 -3.808 -14.186 18.462 1.00 43.43 ATOM 371 HB1 HIS 23 -4.475 -14.617 19.200 1.00 36.85 ATOM 372 HB2 HIS 23 -3.570 -14.937 17.723 1.00 53.11 ATOM 373 CG HIS 23 -4.554 -13.083 17.776 1.00 73.33 ATOM 374 ND1 HIS 23 -4.618 -11.797 18.268 1.00 4.03 ATOM 375 HD1 HIS 23 -4.207 -11.477 19.096 1.00 1.22 ATOM 376 CD2 HIS 23 -5.271 -13.080 16.627 1.00 25.41 ATOM 377 HD2 HIS 23 -5.453 -13.928 15.986 1.00 63.05 ATOM 378 CE1 HIS 23 -5.342 -11.051 17.453 1.00 1.15 ATOM 379 HE1 HIS 23 -5.562 -10.002 17.584 1.00 60.31 ATOM 380 NE2 HIS 23 -5.750 -11.806 16.449 1.00 4.22 ATOM 381 HE2 HIS 23 -6.381 -11.527 15.753 1.00 36.85 ATOM 382 C HIS 23 -2.086 -14.741 20.189 1.00 43.00 ATOM 383 O HIS 23 -2.642 -14.792 21.286 1.00 61.01 ATOM 384 N SER 24 -1.090 -15.552 19.844 1.00 54.32 ATOM 385 HN SER 24 -0.673 -15.473 18.957 1.00 36.85 ATOM 386 CA SER 24 -0.586 -16.573 20.754 1.00 71.42 ATOM 387 HA SER 24 -1.390 -16.887 21.410 1.00 42.40 ATOM 388 CB SER 24 -0.104 -17.794 19.967 1.00 3.33 ATOM 389 HB1 SER 24 -0.896 -18.141 19.323 1.00 36.85 ATOM 390 HB2 SER 24 0.162 -18.577 20.650 1.00 4.04 ATOM 391 OG SER 24 1.027 -17.475 19.175 1.00 22.41 ATOM 392 HG SER 24 1.497 -18.278 18.949 1.00 33.41 ATOM 393 C SER 24 0.551 -16.024 21.611 1.00 73.44 ATOM 394 O SER 24 1.102 -16.730 22.456 1.00 13.40 ATOM 395 N ARG 25 0.896 -14.761 21.385 1.00 22.11 ATOM 396 HN ARG 25 0.441 -14.238 20.695 1.00 36.85 ATOM 397 CA ARG 25 1.968 -14.117 22.135 1.00 51.24 ATOM 398 HA ARG 25 2.814 -14.792 22.171 1.00 65.33 ATOM 399 CB ARG 25 2.403 -12.826 21.437 1.00 34.51 ATOM 400 HB1 ARG 25 2.449 -13.008 20.370 1.00 36.85 ATOM 401 HB2 ARG 25 3.389 -12.559 21.789 1.00 32.20 ATOM 402 CG ARG 25 1.473 -11.652 21.695 1.00 52.04 ATOM 403 HG1 ARG 25 1.638 -11.291 22.700 1.00 36.85 ATOM 404 HG2 ARG 25 0.448 -11.969 21.595 1.00 41.45 ATOM 405 CD ARG 25 1.742 -10.507 20.731 1.00 52.12 ATOM 406 HD1 ARG 25 1.684 -10.867 19.715 1.00 36.85 ATOM 407 HD2 ARG 25 2.741 -10.138 20.920 1.00 15.23 ATOM 408 NE ARG 25 0.794 -9.410 20.906 1.00 11.22 ATOM 409 HE ARG 25 0.018 -9.560 21.495 1.00 60.13 ATOM 410 CZ ARG 25 0.920 -8.227 20.314 1.00 65.50 ATOM 411 NH1 ARG 25 1.949 -7.991 19.512 1.00 44.21 ATOM 412 HH11 ARG 25 2.643 -8.687 19.335 1.00 54.14 ATOM 413 HH12 ARG 25 2.037 -7.095 19.071 1.00 33.12 ATOM 414 NH2 ARG 25 0.016 -7.279 20.523 1.00 23.12 ATOM 415 HH21 ARG 25 -0.764 -7.452 21.128 1.00 42.10 ATOM 416 HH22 ARG 25 0.110 -6.386 20.078 1.00 5.23 ATOM 417 C ARG 25 1.525 -13.811 23.563 1.00 62.44 ATOM 418 O ARG 25 2.336 -13.813 24.489 1.00 33.04 ATOM 419 N LYS 26 0.234 -13.549 23.733 1.00 71.02 ATOM 420 HN LYS 26 -0.374 -13.555 22.958 1.00 36.85 ATOM 421 CA LYS 26 -0.318 -13.242 25.047 1.00 74.41 ATOM 422 HA LYS 26 0.415 -12.672 25.607 1.00 75.05 ATOM 423 CB LYS 26 -1.590 -12.402 24.905 1.00 23.33 ATOM 424 HB1 LYS 26 -2.069 -12.325 25.876 1.00 36.85 ATOM 425 HB2 LYS 26 -2.261 -12.901 24.221 1.00 43.30 ATOM 426 CG LYS 26 -1.336 -10.999 24.383 1.00 53.14 ATOM 427 HG1 LYS 26 -1.138 -11.062 23.321 1.00 36.85 ATOM 428 HG2 LYS 26 -0.474 -10.580 24.888 1.00 4.14 ATOM 429 CD LYS 26 -2.529 -10.089 24.626 1.00 70.40 ATOM 430 HD1 LYS 26 -2.482 -9.719 25.640 1.00 36.85 ATOM 431 HD2 LYS 26 -3.449 -10.645 24.489 1.00 44.45 ATOM 432 CE LYS 26 -2.530 -8.904 23.672 1.00 31.45 ATOM 433 HE1 LYS 26 -1.513 -8.592 23.471 1.00 36.85 ATOM 434 HE2 LYS 26 -3.062 -8.090 24.142 1.00 61.04 ATOM 435 NZ LYS 26 -3.203 -9.230 22.384 1.00 0.44 ATOM 436 HZ1 LYS 26 -3.187 -8.401 21.756 1.00 73.40 ATOM 437 HZ2 LYS 26 -4.194 -9.502 22.551 1.00 43.54 ATOM 438 HZ3 LYS 26 -2.714 -10.018 21.909 1.00 35.12 ATOM 439 C LYS 26 -0.625 -14.521 25.820 1.00 2.02 ATOM 440 O LYS 26 -0.455 -14.577 27.038 1.00 44.33 ATOM 441 N MET 27 -1.076 -15.546 25.105 1.00 60.12 ATOM 442 HN MET 27 -1.199 -15.448 24.132 1.00 36.85 ATOM 443 CA MET 27 -1.403 -16.825 25.725 1.00 51.14 ATOM 444 HA MET 27 -1.832 -16.633 26.704 1.00 11.22 ATOM 445 CB MET 27 -2.434 -17.576 24.880 1.00 32.33 ATOM 446 HB1 MET 27 -2.579 -18.560 25.311 1.00 36.85 ATOM 447 HB2 MET 27 -2.045 -17.687 23.877 1.00 34.53 ATOM 448 CG MET 27 -3.778 -16.871 24.792 1.00 43.20 ATOM 449 HG1 MET 27 -3.777 -16.237 23.918 1.00 36.85 ATOM 450 HG2 MET 27 -3.928 -16.262 25.675 1.00 51.13 ATOM 451 SD MET 27 -5.160 -18.022 24.663 1.00 5.13 ATOM 452 CE MET 27 -4.529 -19.173 23.444 1.00 0.14 ATOM 453 HE1 MET 27 -3.896 -18.653 22.745 1.00 53.21 ATOM 454 HE2 MET 27 -5.347 -19.619 22.919 1.00 14.24 ATOM 455 HE3 MET 27 -3.958 -19.942 23.938 1.00 62.11 ATOM 456 C MET 27 -0.152 -17.680 25.900 1.00 11.21 ATOM 457 O MET 27 0.832 -17.511 25.182 1.00 40.25 ATOM 458 N ASN 28 -0.198 -18.598 26.860 1.00 2.33 ATOM 459 HN ASN 28 -1.021 -18.692 27.398 1.00 36.85 ATOM 460 CA ASN 28 0.933 -19.478 27.130 1.00 31.32 ATOM 461 HA ASN 28 1.830 -18.866 27.184 1.00 25.12 ATOM 462 CB ASN 28 0.736 -20.201 28.464 1.00 1.04 ATOM 463 HB1 ASN 28 1.267 -21.144 28.441 1.00 36.85 ATOM 464 HB2 ASN 28 -0.311 -20.392 28.610 1.00 32.34 ATOM 465 CG ASN 28 1.275 -19.406 29.638 1.00 43.33 ATOM 466 OD1 ASN 28 2.443 -19.015 29.653 1.00 54.21 ATOM 467 ND2 ASN 28 0.425 -19.163 30.628 1.00 10.14 ATOM 468 HD21 ASN 28 -0.497 -19.495 30.557 1.00 21.41 ATOM 469 HD22 ASN 28 0.755 -18.656 31.399 1.00 60.30 ATOM 470 C ASN 28 1.109 -20.497 26.008 1.00 32.24 ATOM 471 O ASN 28 0.134 -20.944 25.402 1.00 21.44 ATOM 472 N LEU 29 2.357 -20.861 25.737 1.00 5.43 ATOM 473 HN LEU 29 3.102 -20.462 26.246 1.00 36.85 ATOM 474 CA LEU 29 2.662 -21.828 24.689 1.00 43.25 ATOM 475 HA LEU 29 1.754 -22.362 24.428 1.00 54.21 ATOM 476 CB LEU 29 3.174 -21.110 23.439 1.00 43.25 ATOM 477 HB1 LEU 29 3.086 -21.792 22.613 1.00 36.85 ATOM 478 HB2 LEU 29 4.227 -20.886 23.584 1.00 62.54 ATOM 479 CG LEU 29 2.461 -19.807 23.073 1.00 24.33 ATOM 480 HG LEU 29 2.418 -19.163 23.938 1.00 72.14 ATOM 481 CD1 LEU 29 3.229 -19.065 21.990 1.00 15.44 ATOM 482 HD11 LEU 29 4.218 -18.822 22.352 1.00 72.02 ATOM 483 HD12 LEU 29 2.717 -18.158 21.727 1.00 50.02 ATOM 484 HD13 LEU 29 3.316 -19.691 21.113 1.00 1.43 ATOM 485 CD2 LEU 29 1.035 -20.088 22.622 1.00 25.12 ATOM 486 HD21 LEU 29 0.592 -20.866 23.217 1.00 54.14 ATOM 487 HD22 LEU 29 1.028 -20.398 21.585 1.00 32.44 ATOM 488 HD23 LEU 29 0.449 -19.187 22.727 1.00 52.13 ATOM 489 C LEU 29 3.697 -22.841 25.166 1.00 21.35 ATOM 490 O LEU 29 4.686 -22.481 25.806 1.00 31.44 ATOM 491 N THR 30 3.464 -24.111 24.850 1.00 64.41 ATOM 492 HN THR 30 2.652 -24.341 24.338 1.00 36.85 ATOM 493 CA THR 30 4.376 -25.177 25.246 1.00 62.23 ATOM 494 HA THR 30 4.351 -25.257 26.324 1.00 50.31 ATOM 495 CB THR 30 3.948 -26.532 24.652 1.00 60.35 ATOM 496 HB THR 30 2.939 -26.746 24.975 1.00 50.12 ATOM 497 OG1 THR 30 4.820 -27.569 25.117 1.00 40.55 ATOM 498 HG1 THR 30 4.363 -28.414 25.085 1.00 2.44 ATOM 499 CG2 THR 30 3.971 -26.488 23.131 1.00 14.21 ATOM 500 HG21 THR 30 4.935 -26.166 22.768 1.00 2.32 ATOM 501 HG22 THR 30 3.208 -25.813 22.789 1.00 44.24 ATOM 502 HG23 THR 30 3.761 -27.477 22.748 1.00 53.23 ATOM 503 C THR 30 5.803 -24.871 24.807 1.00 45.13 ATOM 504 O THR 30 6.035 -23.968 24.003 1.00 44.13 ATOM 505 N ARG 31 6.757 -25.629 25.339 1.00 12.40 ATOM 506 HN ARG 31 6.508 -26.348 25.968 1.00 36.85 ATOM 507 CA ARG 31 8.162 -25.437 25.002 1.00 62.20 ATOM 508 HA ARG 31 8.355 -24.372 24.922 1.00 33.42 ATOM 509 CB ARG 31 9.056 -26.023 26.097 1.00 13.41 ATOM 510 HB1 ARG 31 10.055 -26.174 25.699 1.00 36.85 ATOM 511 HB2 ARG 31 8.656 -26.979 26.405 1.00 74.21 ATOM 512 CG ARG 31 9.171 -25.137 27.327 1.00 31.22 ATOM 513 HG1 ARG 31 8.219 -25.121 27.838 1.00 36.85 ATOM 514 HG2 ARG 31 9.433 -24.134 27.018 1.00 55.12 ATOM 515 CD ARG 31 10.240 -25.646 28.282 1.00 72.13 ATOM 516 HD1 ARG 31 10.519 -24.835 28.940 1.00 36.85 ATOM 517 HD2 ARG 31 11.110 -25.961 27.720 1.00 11.14 ATOM 518 NE ARG 31 9.764 -26.765 29.090 1.00 15.04 ATOM 519 HE ARG 31 8.866 -27.124 28.899 1.00 73.33 ATOM 520 CZ ARG 31 10.475 -27.324 30.063 1.00 12.33 ATOM 521 NH1 ARG 31 11.688 -26.870 30.347 1.00 13.40 ATOM 522 HH11 ARG 31 12.089 -26.107 29.842 1.00 21.31 ATOM 523 HH12 ARG 31 12.217 -27.297 31.083 1.00 72.31 ATOM 524 NH2 ARG 31 9.973 -28.339 30.755 1.00 12.30 ATOM 525 HH21 ARG 31 9.057 -28.687 30.546 1.00 14.41 ATOM 526 HH22 ARG 31 10.508 -28.762 31.489 1.00 53.53 ATOM 527 C ARG 31 8.493 -26.085 23.661 1.00 73.14 ATOM 528 O ARG 31 9.136 -27.132 23.607 1.00 21.32 ATOM 529 N GLY 32 8.047 -25.454 22.578 1.00 31.14 ATOM 530 HN GLY 32 7.566 -24.604 22.676 1.00 36.85 ATOM 531 CA GLY 32 8.304 -25.984 21.252 1.00 3.20 ATOM 532 HA1 GLY 32 8.795 -26.948 21.311 1.00 36.85 ATOM 533 HA2 GLY 32 8.958 -25.300 20.733 1.00 11.03 ATOM 534 C GLY 32 7.037 -26.144 20.436 1.00 42.13 ATOM 535 O GLY 32 6.915 -27.080 19.645 1.00 34.11 ATOM 536 N ILE 33 6.092 -25.230 20.628 1.00 41.12 ATOM 537 HN ILE 33 6.248 -24.488 21.249 1.00 36.85 ATOM 538 CA ILE 33 4.828 -25.275 19.903 1.00 1.12 ATOM 539 HA ILE 33 4.422 -26.278 20.007 1.00 21.31 ATOM 540 CB ILE 33 3.808 -24.280 20.488 1.00 4.10 ATOM 541 HB ILE 33 3.765 -24.411 21.546 1.00 0.15 ATOM 542 CG1 ILE 33 2.423 -24.524 19.887 1.00 14.01 ATOM 543 HG11 ILE 33 2.118 -25.533 20.107 1.00 36.85 ATOM 544 HG12 ILE 33 2.455 -24.386 18.818 1.00 54.52 ATOM 545 CG2 ILE 33 4.258 -22.849 20.232 1.00 30.14 ATOM 546 HG21 ILE 33 3.633 -22.167 20.772 1.00 2.13 ATOM 547 HG22 ILE 33 4.191 -22.617 19.179 1.00 60.55 ATOM 548 HG23 ILE 33 5.280 -22.720 20.559 1.00 44.11 ATOM 549 CD1 ILE 33 1.357 -23.597 20.429 1.00 42.11 ATOM 550 HD11 ILE 33 1.750 -22.953 21.202 1.00 44.51 ATOM 551 HD12 ILE 33 0.568 -24.194 20.850 1.00 22.14 ATOM 552 HD13 ILE 33 0.963 -22.994 19.624 1.00 64.44 ATOM 553 C ILE 33 5.031 -24.967 18.424 1.00 43.43 ATOM 554 O ILE 33 5.846 -24.119 18.062 1.00 11.42 ATOM 555 N ASN 34 4.283 -25.661 17.572 1.00 2.41 ATOM 556 HN ASN 34 3.642 -26.327 17.913 1.00 36.85 ATOM 557 CA ASN 34 4.380 -25.460 16.131 1.00 61.22 ATOM 558 HA ASN 34 5.143 -24.712 15.933 1.00 53.12 ATOM 559 CB ASN 34 4.776 -26.766 15.439 1.00 70.12 ATOM 560 HB1 ASN 34 3.929 -27.208 14.947 1.00 36.85 ATOM 561 HB2 ASN 34 5.147 -27.464 16.178 1.00 31.13 ATOM 562 CG ASN 34 5.873 -26.566 14.411 1.00 73.23 ATOM 563 OD1 ASN 34 6.997 -26.197 14.750 1.00 61.11 ATOM 564 ND2 ASN 34 5.549 -26.810 13.146 1.00 43.31 ATOM 565 HD21 ASN 34 4.635 -27.103 12.930 1.00 41.45 ATOM 566 HD22 ASN 34 6.245 -26.687 12.467 1.00 64.23 ATOM 567 C ASN 34 3.059 -24.951 15.562 1.00 2.44 ATOM 568 O ASN 34 2.156 -25.733 15.264 1.00 33.13 ATOM 569 N LEU 35 2.954 -23.635 15.414 1.00 12.32 ATOM 570 HN LEU 35 3.717 -23.058 15.660 1.00 36.85 ATOM 571 CA LEU 35 1.743 -23.019 14.881 1.00 65.44 ATOM 572 HA LEU 35 0.895 -23.505 15.320 1.00 11.42 ATOM 573 CB LEU 35 1.691 -21.538 15.260 1.00 60.34 ATOM 574 HB1 LEU 35 0.773 -21.109 14.877 1.00 36.85 ATOM 575 HB2 LEU 35 2.524 -21.064 14.761 1.00 35.40 ATOM 576 CG LEU 35 1.814 -21.222 16.751 1.00 71.24 ATOM 577 HG LEU 35 2.389 -21.993 17.246 1.00 45.35 ATOM 578 CD1 LEU 35 2.547 -19.906 16.959 1.00 72.14 ATOM 579 HD11 LEU 35 2.717 -19.755 18.014 1.00 72.04 ATOM 580 HD12 LEU 35 1.953 -19.094 16.570 1.00 21.14 ATOM 581 HD13 LEU 35 3.499 -19.937 16.448 1.00 33.12 ATOM 582 CD2 LEU 35 0.439 -21.178 17.401 1.00 0.23 ATOM 583 HD21 LEU 35 -0.055 -22.130 17.268 1.00 53.15 ATOM 584 HD22 LEU 35 -0.156 -20.398 16.946 1.00 54.15 ATOM 585 HD23 LEU 35 0.544 -20.977 18.459 1.00 1.31 ATOM 586 C LEU 35 1.679 -23.171 13.364 1.00 12.42 ATOM 587 O LEU 35 0.596 -23.205 12.780 1.00 51.35 ATOM 588 N ARG 36 2.845 -23.263 12.734 1.00 40.24 ATOM 589 HN ARG 36 3.684 -23.206 13.246 1.00 36.85 ATOM 590 CA ARG 36 2.921 -23.412 11.285 1.00 12.33 ATOM 591 HA ARG 36 2.527 -22.526 10.837 1.00 12.41 ATOM 592 CB ARG 36 4.374 -23.604 10.846 1.00 34.24 ATOM 593 HB1 ARG 36 4.771 -24.482 11.340 1.00 36.85 ATOM 594 HB2 ARG 36 4.946 -22.740 11.154 1.00 51.13 ATOM 595 CG ARG 36 4.539 -23.773 9.345 1.00 71.01 ATOM 596 HG1 ARG 36 4.300 -22.838 8.860 1.00 36.85 ATOM 597 HG2 ARG 36 3.878 -24.546 8.986 1.00 54.12 ATOM 598 CD ARG 36 5.963 -24.163 8.982 1.00 42.34 ATOM 599 HD1 ARG 36 6.230 -25.075 9.498 1.00 36.85 ATOM 600 HD2 ARG 36 6.625 -23.370 9.303 1.00 72.52 ATOM 601 NE ARG 36 6.130 -24.345 7.542 1.00 25.43 ATOM 602 HE ARG 36 6.553 -23.613 7.041 1.00 51.35 ATOM 603 CZ ARG 36 5.744 -25.436 6.890 1.00 21.22 ATOM 604 NH1 ARG 36 5.171 -26.436 7.545 1.00 31.24 ATOM 605 HH11 ARG 36 5.014 -26.396 8.528 1.00 62.22 ATOM 606 HH12 ARG 36 4.886 -27.256 7.043 1.00 73.02 ATOM 607 NH2 ARG 36 5.930 -25.528 5.580 1.00 65.23 ATOM 608 HH21 ARG 36 6.362 -24.776 5.079 1.00 21.33 ATOM 609 HH22 ARG 36 5.640 -26.350 5.086 1.00 74.41 ATOM 610 C ARG 36 2.076 -24.592 10.815 1.00 14.11 ATOM 611 O ARG 36 1.496 -24.561 9.730 1.00 55.15 ATOM 612 N LYS 37 2.011 -25.632 11.639 1.00 33.03 ATOM 613 HN LYS 37 2.510 -25.617 12.489 1.00 36.85 ATOM 614 CA LYS 37 1.236 -26.823 11.310 1.00 45.22 ATOM 615 HA LYS 37 1.360 -27.034 10.254 1.00 73.05 ATOM 616 CB LYS 37 1.746 -28.025 12.109 1.00 52.42 ATOM 617 HB1 LYS 37 1.737 -27.776 13.162 1.00 36.85 ATOM 618 HB2 LYS 37 2.766 -28.224 11.810 1.00 73.21 ATOM 619 CG LYS 37 0.937 -29.291 11.884 1.00 5.24 ATOM 620 HG1 LYS 37 1.607 -30.140 11.919 1.00 36.85 ATOM 621 HG2 LYS 37 0.470 -29.254 10.907 1.00 44.10 ATOM 622 CD LYS 37 -0.149 -29.452 12.934 1.00 31.12 ATOM 623 HD1 LYS 37 -1.006 -29.897 12.465 1.00 36.85 ATOM 624 HD2 LYS 37 -0.427 -28.495 13.349 1.00 41.42 ATOM 625 CE LYS 37 0.306 -30.351 14.074 1.00 73.13 ATOM 626 HE1 LYS 37 -0.149 -30.003 14.989 1.00 36.85 ATOM 627 HE2 LYS 37 1.382 -30.306 14.171 1.00 64.03 ATOM 628 NZ LYS 37 -0.088 -31.770 13.852 1.00 61.14 ATOM 629 HZ1 LYS 37 0.340 -32.132 12.974 1.00 73.24 ATOM 630 HZ2 LYS 37 -1.123 -31.852 13.780 1.00 54.30 ATOM 631 HZ3 LYS 37 0.237 -32.356 14.647 1.00 12.13 ATOM 632 C LYS 37 -0.246 -26.603 11.592 1.00 54.01 ATOM 633 O LYS 37 -1.105 -27.234 10.975 1.00 71.10 ATOM 634 N ILE 38 -0.539 -25.704 12.526 1.00 74.24 ATOM 635 HN ILE 38 0.181 -25.233 12.977 1.00 36.85 ATOM 636 CA ILE 38 -1.919 -25.400 12.886 1.00 25.13 ATOM 637 HA ILE 38 -2.428 -26.334 13.091 1.00 31.21 ATOM 638 CB ILE 38 -1.989 -24.516 14.146 1.00 72.15 ATOM 639 HB ILE 38 -1.582 -23.542 13.912 1.00 50.31 ATOM 640 CG1 ILE 38 -1.164 -25.134 15.276 1.00 44.11 ATOM 641 HG11 ILE 38 -1.212 -24.502 16.146 1.00 36.85 ATOM 642 HG12 ILE 38 -0.142 -25.213 14.968 1.00 72.51 ATOM 643 CG2 ILE 38 -3.435 -24.328 14.580 1.00 10.01 ATOM 644 HG21 ILE 38 -3.896 -25.279 14.780 1.00 32.34 ATOM 645 HG22 ILE 38 -3.986 -23.823 13.802 1.00 75.42 ATOM 646 HG23 ILE 38 -3.469 -23.718 15.467 1.00 72.34 ATOM 647 CD1 ILE 38 -1.622 -26.520 15.671 1.00 34.13 ATOM 648 HD11 ILE 38 -2.567 -26.760 15.221 1.00 45.10 ATOM 649 HD12 ILE 38 -1.720 -26.570 16.744 1.00 52.54 ATOM 650 HD13 ILE 38 -0.884 -27.242 15.351 1.00 22.21 ATOM 651 C ILE 38 -2.643 -24.697 11.744 1.00 54.22 ATOM 652 O ILE 38 -3.647 -25.193 11.234 1.00 53.25 ATOM 653 N ALA 39 -2.126 -23.539 11.346 1.00 72.01 ATOM 654 HN ALA 39 -1.315 -23.194 11.791 1.00 36.85 ATOM 655 CA ALA 39 -2.722 -22.769 10.261 1.00 65.11 ATOM 656 HA ALA 39 -3.701 -22.449 10.579 1.00 31.31 ATOM 657 CB ALA 39 -1.894 -21.523 9.982 1.00 30.10 ATOM 658 HB1 ALA 39 -1.017 -21.773 9.398 1.00 70.40 ATOM 659 HB2 ALA 39 -1.586 -21.077 10.917 1.00 64.22 ATOM 660 HB3 ALA 39 -2.499 -20.830 9.447 1.00 52.33 ATOM 661 C ALA 39 -2.854 -23.613 8.997 1.00 4.54 ATOM 662 O ALA 39 -3.785 -23.431 8.214 1.00 31.02 ATOM 663 N GLU 40 -1.915 -24.534 8.806 1.00 62.04 ATOM 664 HN GLU 40 -1.172 -24.617 9.448 1.00 36.85 ATOM 665 CA GLU 40 -1.927 -25.404 7.635 1.00 1.14 ATOM 666 HA GLU 40 -1.891 -24.779 6.753 1.00 41.52 ATOM 667 CB GLU 40 -0.711 -26.332 7.650 1.00 61.50 ATOM 668 HB1 GLU 40 -0.971 -27.272 7.174 1.00 36.85 ATOM 669 HB2 GLU 40 -0.426 -26.532 8.674 1.00 43.24 ATOM 670 CG GLU 40 0.498 -25.764 6.926 1.00 51.12 ATOM 671 HG1 GLU 40 0.872 -24.923 7.481 1.00 36.85 ATOM 672 HG2 GLU 40 0.195 -25.436 5.941 1.00 11.03 ATOM 673 CD GLU 40 1.613 -26.779 6.766 1.00 72.13 ATOM 674 OE1 GLU 40 2.588 -26.481 6.045 1.00 21.41 ATOM 675 OE2 GLU 40 1.510 -27.872 7.362 1.00 54.31 ATOM 676 C GLU 40 -3.210 -26.229 7.584 1.00 42.32 ATOM 677 O GLU 40 -3.612 -26.706 6.522 1.00 13.00 ATOM 678 N LEU 41 -3.847 -26.393 8.738 1.00 52.33 ATOM 679 HN LEU 41 -3.469 -26.043 9.567 1.00 36.85 ATOM 680 CA LEU 41 -5.085 -27.160 8.826 1.00 63.22 ATOM 681 HA LEU 41 -5.131 -27.855 7.996 1.00 41.01 ATOM 682 CB LEU 41 -5.117 -27.965 10.126 1.00 31.40 ATOM 683 HB1 LEU 41 -6.022 -28.562 10.136 1.00 36.85 ATOM 684 HB2 LEU 41 -5.178 -27.254 10.945 1.00 11.52 ATOM 685 CG LEU 41 -3.920 -28.883 10.377 1.00 74.50 ATOM 686 HG LEU 41 -3.019 -28.418 10.007 1.00 61.01 ATOM 687 CD1 LEU 41 -3.734 -29.122 11.867 1.00 2.13 ATOM 688 HD11 LEU 41 -2.947 -29.839 12.026 1.00 52.01 ATOM 689 HD12 LEU 41 -4.652 -29.504 12.293 1.00 4.53 ATOM 690 HD13 LEU 41 -3.474 -28.192 12.350 1.00 3.25 ATOM 691 CD2 LEU 41 -4.098 -30.204 9.642 1.00 41.02 ATOM 692 HD21 LEU 41 -4.201 -30.018 8.582 1.00 45.15 ATOM 693 HD22 LEU 41 -4.983 -30.708 10.005 1.00 34.45 ATOM 694 HD23 LEU 41 -3.234 -30.832 9.810 1.00 31.24 ATOM 695 C LEU 41 -6.301 -26.243 8.752 1.00 1.40 ATOM 696 O LEU 41 -7.357 -26.551 9.303 1.00 54.13 ATOM 697 N MET 42 -6.144 -25.115 8.066 1.00 33.12 ATOM 698 HN MET 42 -5.302 -24.911 7.621 1.00 36.85 ATOM 699 CA MET 42 -7.231 -24.154 7.918 1.00 73.34 ATOM 700 HA MET 42 -8.085 -24.479 8.499 1.00 11.12 ATOM 701 CB MET 42 -6.805 -22.784 8.447 1.00 11.32 ATOM 702 HB1 MET 42 -7.612 -22.083 8.265 1.00 36.85 ATOM 703 HB2 MET 42 -5.931 -22.453 7.909 1.00 21.44 ATOM 704 CG MET 42 -6.489 -22.778 9.934 1.00 63.30 ATOM 705 HG1 MET 42 -5.508 -23.194 10.077 1.00 36.85 ATOM 706 HG2 MET 42 -7.208 -23.390 10.444 1.00 33.34 ATOM 707 SD MET 42 -6.533 -21.123 10.648 1.00 71.14 ATOM 708 CE MET 42 -8.175 -21.107 11.363 1.00 1.03 ATOM 709 HE1 MET 42 -8.353 -22.038 11.876 1.00 2.11 ATOM 710 HE2 MET 42 -8.905 -20.987 10.576 1.00 21.54 ATOM 711 HE3 MET 42 -8.255 -20.286 12.050 1.00 1.30 ATOM 712 C MET 42 -7.658 -24.038 6.458 1.00 52.13 ATOM 713 O MET 42 -7.405 -23.035 5.790 1.00 0.01 ATOM 714 N PRO 43 -8.321 -25.087 5.949 1.00 50.04 ATOM 715 CA PRO 43 -8.797 -25.126 4.563 1.00 40.34 ATOM 716 HA PRO 43 -7.997 -24.923 3.864 1.00 34.14 ATOM 717 CB PRO 43 -9.271 -26.571 4.391 1.00 51.03 ATOM 718 HB1 PRO 43 -8.465 -27.162 3.983 1.00 36.85 ATOM 719 HB2 PRO 43 -10.126 -26.626 3.727 1.00 64.45 ATOM 720 CG PRO 43 -9.615 -27.023 5.768 1.00 65.41 ATOM 721 HG1 PRO 43 -9.488 -28.093 5.846 1.00 36.85 ATOM 722 HG2 PRO 43 -10.633 -26.747 6.002 1.00 63.42 ATOM 723 CD PRO 43 -8.658 -26.316 6.687 1.00 45.21 ATOM 724 HD1 PRO 43 -7.787 -26.929 6.826 1.00 36.85 ATOM 725 HD2 PRO 43 -9.130 -26.102 7.631 1.00 33.53 ATOM 726 C PRO 43 -9.947 -24.155 4.317 1.00 31.03 ATOM 727 O PRO 43 -11.116 -24.515 4.453 1.00 4.13 ATOM 728 N GLY 44 -9.608 -22.922 3.954 1.00 4.32 ATOM 729 HN GLY 44 -8.659 -22.680 3.858 1.00 36.85 ATOM 730 CA GLY 44 -10.624 -21.918 3.695 1.00 23.54 ATOM 731 HA1 GLY 44 -11.504 -22.384 3.267 1.00 36.85 ATOM 732 HA2 GLY 44 -10.231 -21.211 2.978 1.00 43.12 ATOM 733 C GLY 44 -11.029 -21.167 4.948 1.00 73.40 ATOM 734 O GLY 44 -12.012 -21.519 5.600 1.00 60.11 ATOM 735 N ALA 45 -10.270 -20.131 5.286 1.00 2.35 ATOM 736 HN ALA 45 -9.485 -19.905 4.732 1.00 36.85 ATOM 737 CA ALA 45 -10.556 -19.328 6.469 1.00 3.01 ATOM 738 HA ALA 45 -11.631 -19.269 6.599 1.00 64.11 ATOM 739 CB ALA 45 -9.968 -19.987 7.709 1.00 54.44 ATOM 740 HB1 ALA 45 -8.893 -19.864 7.720 1.00 44.03 ATOM 741 HB2 ALA 45 -10.199 -21.035 7.696 1.00 54.25 ATOM 742 HB3 ALA 45 -10.391 -19.535 8.593 1.00 74.15 ATOM 743 C ALA 45 -10.015 -17.911 6.314 1.00 10.44 ATOM 744 O ALA 45 -9.248 -17.625 5.395 1.00 71.52 ATOM 745 N SER 46 -10.420 -17.025 7.219 1.00 34.44 ATOM 746 HN SER 46 -11.049 -17.300 7.919 1.00 36.85 ATOM 747 CA SER 46 -9.980 -15.636 7.180 1.00 1.14 ATOM 748 HA SER 46 -9.164 -15.537 6.475 1.00 34.42 ATOM 749 CB SER 46 -11.125 -14.728 6.727 1.00 61.32 ATOM 750 HB1 SER 46 -10.878 -13.690 6.896 1.00 36.85 ATOM 751 HB2 SER 46 -12.015 -14.968 7.276 1.00 11.35 ATOM 752 OG SER 46 -11.389 -14.892 5.344 1.00 25.21 ATOM 753 HG SER 46 -10.747 -14.394 4.830 1.00 61.43 ATOM 754 C SER 46 -9.472 -15.188 8.548 1.00 73.42 ATOM 755 O SER 46 -9.422 -15.975 9.492 1.00 73.50 ATOM 756 N GLY 47 -9.096 -13.917 8.645 1.00 12.25 ATOM 757 HN GLY 47 -9.117 -13.329 7.859 1.00 36.85 ATOM 758 CA GLY 47 -8.597 -13.385 9.900 1.00 20.11 ATOM 759 HA1 GLY 47 -8.350 -12.343 9.761 1.00 36.85 ATOM 760 HA2 GLY 47 -7.700 -13.920 10.181 1.00 54.42 ATOM 761 C GLY 47 -9.610 -13.500 11.022 1.00 4.13 ATOM 762 O GLY 47 -9.242 -13.666 12.185 1.00 64.43 ATOM 763 N ALA 48 -10.889 -13.409 10.674 1.00 20.22 ATOM 764 HN ALA 48 -11.129 -13.264 9.729 1.00 36.85 ATOM 765 CA ALA 48 -11.958 -13.504 11.661 1.00 64.31 ATOM 766 HA ALA 48 -11.747 -12.806 12.462 1.00 1.21 ATOM 767 CB ALA 48 -13.288 -13.109 11.038 1.00 72.35 ATOM 768 HB1 ALA 48 -13.209 -12.112 10.630 1.00 23.13 ATOM 769 HB2 ALA 48 -14.063 -13.127 11.792 1.00 14.54 ATOM 770 HB3 ALA 48 -13.539 -13.801 10.246 1.00 62.01 ATOM 771 C ALA 48 -12.042 -14.910 12.245 1.00 23.33 ATOM 772 O ALA 48 -12.154 -15.082 13.459 1.00 43.34 ATOM 773 N GLU 49 -11.988 -15.913 11.374 1.00 44.32 ATOM 774 HN GLU 49 -11.889 -15.714 10.413 1.00 36.85 ATOM 775 CA GLU 49 -12.059 -17.304 11.805 1.00 14.22 ATOM 776 HA GLU 49 -12.946 -17.424 12.417 1.00 45.40 ATOM 777 CB GLU 49 -12.158 -18.232 10.593 1.00 31.41 ATOM 778 HB1 GLU 49 -11.875 -19.236 10.889 1.00 36.85 ATOM 779 HB2 GLU 49 -11.472 -17.895 9.835 1.00 51.32 ATOM 780 CG GLU 49 -13.554 -18.312 9.999 1.00 35.14 ATOM 781 HG1 GLU 49 -14.274 -18.443 10.796 1.00 36.85 ATOM 782 HG2 GLU 49 -13.597 -19.166 9.339 1.00 33.40 ATOM 783 CD GLU 49 -13.922 -17.074 9.204 1.00 21.24 ATOM 784 OE1 GLU 49 -14.959 -16.454 9.519 1.00 12.15 ATOM 785 OE2 GLU 49 -13.173 -16.726 8.268 1.00 73.02 ATOM 786 C GLU 49 -10.842 -17.676 12.647 1.00 13.10 ATOM 787 O GLU 49 -10.931 -18.500 13.558 1.00 54.35 ATOM 788 N VAL 50 -9.705 -17.063 12.335 1.00 3.24 ATOM 789 HN VAL 50 -9.687 -16.416 11.592 1.00 36.85 ATOM 790 CA VAL 50 -8.469 -17.328 13.062 1.00 31.34 ATOM 791 HA VAL 50 -8.290 -18.394 13.050 1.00 64.22 ATOM 792 CB VAL 50 -7.267 -16.629 12.400 1.00 21.41 ATOM 793 HB VAL 50 -7.442 -15.562 12.407 1.00 31.15 ATOM 794 CG1 VAL 50 -5.991 -16.906 13.181 1.00 34.12 ATOM 795 HG11 VAL 50 -5.880 -17.972 13.325 1.00 40.34 ATOM 796 HG12 VAL 50 -6.030 -16.414 14.141 1.00 25.03 ATOM 797 HG13 VAL 50 -5.137 -16.531 12.631 1.00 50.40 ATOM 798 CG2 VAL 50 -7.123 -17.075 10.953 1.00 70.32 ATOM 799 HG21 VAL 50 -6.951 -16.207 10.335 1.00 71.05 ATOM 800 HG22 VAL 50 -8.014 -17.581 10.610 1.00 24.14 ATOM 801 HG23 VAL 50 -6.283 -17.750 10.847 1.00 21.34 ATOM 802 C VAL 50 -8.575 -16.868 14.512 1.00 21.51 ATOM 803 O VAL 50 -8.154 -17.572 15.431 1.00 73.12 ATOM 804 N LYS 51 -9.140 -15.683 14.711 1.00 11.41 ATOM 805 HN LYS 51 -9.445 -15.155 13.935 1.00 36.85 ATOM 806 CA LYS 51 -9.304 -15.127 16.049 1.00 21.43 ATOM 807 HA LYS 51 -8.316 -14.952 16.455 1.00 64.41 ATOM 808 CB LYS 51 -10.065 -13.801 15.984 1.00 33.51 ATOM 809 HB1 LYS 51 -11.122 -14.007 15.862 1.00 36.85 ATOM 810 HB2 LYS 51 -9.720 -13.250 15.118 1.00 13.51 ATOM 811 CG LYS 51 -9.857 -12.920 17.203 1.00 13.04 ATOM 812 HG1 LYS 51 -9.016 -12.268 17.017 1.00 36.85 ATOM 813 HG2 LYS 51 -9.642 -13.545 18.063 1.00 13.21 ATOM 814 CD LYS 51 -11.082 -12.068 17.491 1.00 40.32 ATOM 815 HD1 LYS 51 -11.975 -12.558 17.122 1.00 36.85 ATOM 816 HD2 LYS 51 -10.965 -11.118 16.991 1.00 72.33 ATOM 817 CE LYS 51 -11.253 -11.823 18.982 1.00 12.02 ATOM 818 HE1 LYS 51 -10.285 -11.840 19.470 1.00 36.85 ATOM 819 HE2 LYS 51 -11.872 -12.606 19.392 1.00 63.24 ATOM 820 NZ LYS 51 -11.898 -10.509 19.258 1.00 32.42 ATOM 821 HZ1 LYS 51 -12.001 -10.373 20.284 1.00 52.55 ATOM 822 HZ2 LYS 51 -12.842 -10.470 18.821 1.00 22.44 ATOM 823 HZ3 LYS 51 -11.318 -9.733 18.875 1.00 2.42 ATOM 824 C LYS 51 -10.042 -16.106 16.958 1.00 52.55 ATOM 825 O LYS 51 -9.786 -16.166 18.159 1.00 21.22 ATOM 826 N GLY 52 -10.959 -16.871 16.374 1.00 35.20 ATOM 827 HN GLY 52 -11.157 -16.773 15.417 1.00 36.85 ATOM 828 CA GLY 52 -11.719 -17.837 17.146 1.00 74.13 ATOM 829 HA1 GLY 52 -12.551 -18.178 16.547 1.00 36.85 ATOM 830 HA2 GLY 52 -12.107 -17.363 18.039 1.00 0.30 ATOM 831 C GLY 52 -10.889 -19.040 17.549 1.00 50.45 ATOM 832 O GLY 52 -11.081 -19.603 18.626 1.00 3.34 ATOM 833 N VAL 53 -9.964 -19.436 16.680 1.00 71.00 ATOM 834 HN VAL 53 -9.857 -18.949 15.830 1.00 36.85 ATOM 835 CA VAL 53 -9.102 -20.580 16.950 1.00 23.04 ATOM 836 HA VAL 53 -9.732 -21.451 17.070 1.00 2.11 ATOM 837 CB VAL 53 -8.132 -20.840 15.783 1.00 62.34 ATOM 838 HB VAL 53 -7.512 -19.964 15.648 1.00 10.11 ATOM 839 CG1 VAL 53 -7.224 -22.020 16.095 1.00 61.10 ATOM 840 HG11 VAL 53 -6.614 -21.808 16.959 1.00 43.21 ATOM 841 HG12 VAL 53 -6.575 -22.206 15.251 1.00 75.14 ATOM 842 HG13 VAL 53 -7.822 -22.899 16.281 1.00 34.21 ATOM 843 CG2 VAL 53 -8.903 -21.077 14.493 1.00 61.21 ATOM 844 HG21 VAL 53 -8.274 -21.608 13.810 1.00 64.23 ATOM 845 HG22 VAL 53 -9.184 -20.132 14.061 1.00 31.13 ATOM 846 HG23 VAL 53 -9.789 -21.665 14.686 1.00 12.21 ATOM 847 C VAL 53 -8.297 -20.372 18.228 1.00 2.53 ATOM 848 O VAL 53 -8.301 -21.219 19.122 1.00 12.00 ATOM 849 N CYS 54 -7.608 -19.239 18.308 1.00 5.13 ATOM 850 HN CYS 54 -7.648 -18.597 17.558 1.00 36.85 ATOM 851 CA CYS 54 -6.797 -18.918 19.478 1.00 64.33 ATOM 852 HA CYS 54 -6.079 -19.719 19.607 1.00 51.41 ATOM 853 CB CYS 54 -6.054 -17.599 19.263 1.00 13.41 ATOM 854 HB1 CYS 54 -6.668 -16.767 19.586 1.00 36.85 ATOM 855 HB2 CYS 54 -5.839 -17.482 18.209 1.00 44.30 ATOM 856 SG CYS 54 -4.475 -17.489 20.137 1.00 32.21 ATOM 857 HG CYS 54 -4.506 -16.408 20.903 1.00 63.23 ATOM 858 C CYS 54 -7.661 -18.832 20.731 1.00 2.24 ATOM 859 O CYS 54 -7.320 -19.391 21.774 1.00 20.32 ATOM 860 N THR 55 -8.782 -18.125 20.624 1.00 44.12 ATOM 861 HN THR 55 -9.001 -17.690 19.766 1.00 36.85 ATOM 862 CA THR 55 -9.694 -17.962 21.749 1.00 64.01 ATOM 863 HA THR 55 -9.173 -17.414 22.524 1.00 23.43 ATOM 864 CB THR 55 -10.946 -17.160 21.346 1.00 64.42 ATOM 865 HB THR 55 -11.493 -17.719 20.597 1.00 65.31 ATOM 866 OG1 THR 55 -10.561 -15.898 20.791 1.00 51.42 ATOM 867 HG1 THR 55 -11.254 -15.576 20.209 1.00 51.44 ATOM 868 CG2 THR 55 -11.855 -16.937 22.545 1.00 63.41 ATOM 869 HG21 THR 55 -11.280 -16.561 23.381 1.00 62.13 ATOM 870 HG22 THR 55 -12.332 -17.865 22.822 1.00 4.24 ATOM 871 HG23 THR 55 -12.614 -16.214 22.284 1.00 11.43 ATOM 872 C THR 55 -10.127 -19.313 22.306 1.00 62.45 ATOM 873 O THR 55 -10.366 -19.453 23.504 1.00 12.44 ATOM 874 N GLU 56 -10.225 -20.306 21.427 1.00 22.30 ATOM 875 HN GLU 56 -10.045 -20.135 20.474 1.00 36.85 ATOM 876 CA GLU 56 -10.630 -21.647 21.833 1.00 64.23 ATOM 877 HA GLU 56 -11.508 -21.557 22.460 1.00 40.41 ATOM 878 CB GLU 56 -10.961 -22.497 20.604 1.00 33.35 ATOM 879 HB1 GLU 56 -10.711 -23.535 20.787 1.00 36.85 ATOM 880 HB2 GLU 56 -10.385 -22.138 19.779 1.00 72.23 ATOM 881 CG GLU 56 -12.423 -22.431 20.195 1.00 32.44 ATOM 882 HG1 GLU 56 -12.541 -22.946 19.253 1.00 36.85 ATOM 883 HG2 GLU 56 -12.709 -21.396 20.075 1.00 52.41 ATOM 884 CD GLU 56 -13.344 -23.073 21.215 1.00 1.54 ATOM 885 OE1 GLU 56 -12.860 -23.908 22.008 1.00 11.41 ATOM 886 OE2 GLU 56 -14.547 -22.740 21.221 1.00 54.11 ATOM 887 C GLU 56 -9.533 -22.322 22.651 1.00 22.41 ATOM 888 O GLU 56 -9.802 -22.930 23.687 1.00 44.10 ATOM 889 N ALA 57 -8.296 -22.212 22.177 1.00 11.54 ATOM 890 HN ALA 57 -8.146 -21.726 21.331 1.00 36.85 ATOM 891 CA ALA 57 -7.158 -22.809 22.865 1.00 73.41 ATOM 892 HA ALA 57 -7.263 -23.868 22.796 1.00 51.41 ATOM 893 CB ALA 57 -5.859 -22.413 22.179 1.00 74.33 ATOM 894 HB1 ALA 57 -5.247 -23.294 22.058 1.00 31.24 ATOM 895 HB2 ALA 57 -5.319 -21.694 22.772 1.00 54.42 ATOM 896 HB3 ALA 57 -6.059 -21.991 21.204 1.00 55.14 ATOM 897 C ALA 57 -7.128 -22.402 24.334 1.00 14.50 ATOM 898 O ALA 57 -6.824 -23.213 25.207 1.00 11.35 ATOM 899 N GLY 58 -7.446 -21.138 24.599 1.00 3.24 ATOM 900 HN GLY 58 -7.670 -20.518 23.870 1.00 36.85 ATOM 901 CA GLY 58 -7.448 -20.644 25.964 1.00 30.52 ATOM 902 HA1 GLY 58 -7.514 -19.566 25.940 1.00 36.85 ATOM 903 HA2 GLY 58 -6.522 -20.923 26.452 1.00 51.55 ATOM 904 C GLY 58 -8.612 -21.182 26.773 1.00 22.00 ATOM 905 O GLY 58 -8.494 -21.389 27.980 1.00 0.14 ATOM 906 N MET 59 -9.740 -21.407 26.107 1.00 65.22 ATOM 907 HN MET 59 -9.785 -21.211 25.144 1.00 36.85 ATOM 908 CA MET 59 -10.930 -21.924 26.773 1.00 41.55 ATOM 909 HA MET 59 -11.074 -21.369 27.685 1.00 41.43 ATOM 910 CB MET 59 -12.158 -21.747 25.878 1.00 50.44 ATOM 911 HB1 MET 59 -13.033 -22.107 26.403 1.00 36.85 ATOM 912 HB2 MET 59 -12.020 -22.346 24.985 1.00 50.25 ATOM 913 CG MET 59 -12.387 -20.310 25.437 1.00 13.25 ATOM 914 HG1 MET 59 -12.678 -20.311 24.397 1.00 36.85 ATOM 915 HG2 MET 59 -11.481 -19.736 25.552 1.00 73.05 ATOM 916 SD MET 59 -13.682 -19.491 26.388 1.00 53.43 ATOM 917 CE MET 59 -13.129 -19.812 28.061 1.00 52.42 ATOM 918 HE1 MET 59 -13.756 -19.272 28.755 1.00 61.03 ATOM 919 HE2 MET 59 -12.106 -19.485 28.171 1.00 14.32 ATOM 920 HE3 MET 59 -13.194 -20.870 28.268 1.00 20.44 ATOM 921 C MET 59 -10.756 -23.396 27.132 1.00 12.32 ATOM 922 O MET 59 -11.199 -23.842 28.190 1.00 34.55 ATOM 923 N TYR 60 -10.109 -24.144 26.246 1.00 75.23 ATOM 924 HN TYR 60 -9.783 -23.736 25.409 1.00 36.85 ATOM 925 CA TYR 60 -9.880 -25.567 26.469 1.00 0.30 ATOM 926 HA TYR 60 -10.829 -26.024 26.706 1.00 3.04 ATOM 927 CB TYR 60 -9.295 -26.214 25.212 1.00 13.24 ATOM 928 HB1 TYR 60 -8.730 -27.100 25.482 1.00 36.85 ATOM 929 HB2 TYR 60 -8.630 -25.508 24.742 1.00 65.05 ATOM 930 CG TYR 60 -10.342 -26.637 24.207 1.00 63.44 ATOM 931 CD1 TYR 60 -10.271 -26.221 22.883 1.00 5.11 ATOM 932 HD1 TYR 60 -9.463 -25.579 22.571 1.00 55.13 ATOM 933 CD2 TYR 60 -11.401 -27.455 24.580 1.00 73.22 ATOM 934 HD2 TYR 60 -11.475 -27.793 25.604 1.00 1.11 ATOM 935 CE1 TYR 60 -11.225 -26.605 21.961 1.00 1.21 ATOM 936 HE1 TYR 60 -11.151 -26.271 20.937 1.00 65.12 ATOM 937 CE2 TYR 60 -12.359 -27.845 23.664 1.00 34.43 ATOM 938 HE2 TYR 60 -13.175 -28.481 23.974 1.00 21.33 ATOM 939 CZ TYR 60 -12.267 -27.417 22.356 1.00 31.23 ATOM 940 OH TYR 60 -13.219 -27.803 21.441 1.00 60.14 ATOM 941 HH TYR 60 -12.850 -28.460 20.843 1.00 72.42 ATOM 942 C TYR 60 -8.942 -25.788 27.652 1.00 34.20 ATOM 943 O TYR 60 -9.151 -26.689 28.464 1.00 74.12 ATOM 944 N ALA 61 -7.908 -24.958 27.742 1.00 33.34 ATOM 945 HN ALA 61 -7.784 -24.258 27.057 1.00 36.85 ATOM 946 CA ALA 61 -6.939 -25.060 28.827 1.00 73.45 ATOM 947 HA ALA 61 -6.605 -26.089 28.891 1.00 12.41 ATOM 948 CB ALA 61 -5.724 -24.194 28.531 1.00 22.23 ATOM 949 HB1 ALA 61 -4.987 -24.321 29.312 1.00 55.45 ATOM 950 HB2 ALA 61 -6.020 -23.156 28.480 1.00 13.20 ATOM 951 HB3 ALA 61 -5.296 -24.490 27.584 1.00 14.55 ATOM 952 C ALA 61 -7.563 -24.663 30.160 1.00 55.32 ATOM 953 O ALA 61 -7.390 -25.350 31.168 1.00 54.45 ATOM 954 N LEU 62 -8.289 -23.550 30.159 1.00 10.04 ATOM 955 HN LEU 62 -8.384 -23.034 29.323 1.00 36.85 ATOM 956 CA LEU 62 -8.939 -23.060 31.370 1.00 20.01 ATOM 957 HA LEU 62 -8.168 -22.812 32.086 1.00 41.13 ATOM 958 CB LEU 62 -9.760 -21.807 31.060 1.00 30.04 ATOM 959 HB1 LEU 62 -10.520 -21.684 31.826 1.00 36.85 ATOM 960 HB2 LEU 62 -10.268 -21.977 30.117 1.00 43.42 ATOM 961 CG LEU 62 -8.975 -20.499 30.958 1.00 52.24 ATOM 962 HG LEU 62 -8.076 -20.666 30.380 1.00 1.43 ATOM 963 CD1 LEU 62 -9.797 -19.438 30.242 1.00 12.02 ATOM 964 HD11 LEU 62 -10.702 -19.238 30.800 1.00 75.03 ATOM 965 HD12 LEU 62 -10.056 -19.787 29.252 1.00 45.25 ATOM 966 HD13 LEU 62 -9.220 -18.528 30.157 1.00 22.14 ATOM 967 CD2 LEU 62 -8.563 -20.014 32.340 1.00 63.21 ATOM 968 HD21 LEU 62 -9.444 -19.833 32.941 1.00 61.31 ATOM 969 HD22 LEU 62 -7.997 -19.097 32.249 1.00 24.12 ATOM 970 HD23 LEU 62 -7.949 -20.762 32.820 1.00 60.31 ATOM 971 C LEU 62 -9.837 -24.133 31.978 1.00 2.34 ATOM 972 O LEU 62 -9.713 -24.464 33.158 1.00 54.14 ATOM 973 N ARG 63 -10.739 -24.673 31.165 1.00 25.13 ATOM 974 HN ARG 63 -10.788 -24.366 30.228 1.00 36.85 ATOM 975 CA ARG 63 -11.656 -25.709 31.623 1.00 33.21 ATOM 976 HA ARG 63 -12.238 -25.306 32.441 1.00 54.14 ATOM 977 CB ARG 63 -12.607 -26.113 30.495 1.00 54.32 ATOM 978 HB1 ARG 63 -13.093 -25.225 30.117 1.00 36.85 ATOM 979 HB2 ARG 63 -13.359 -26.777 30.902 1.00 33.14 ATOM 980 CG ARG 63 -11.915 -26.808 29.334 1.00 40.31 ATOM 981 HG1 ARG 63 -11.240 -27.567 29.692 1.00 36.85 ATOM 982 HG2 ARG 63 -11.373 -26.077 28.782 1.00 32.44 ATOM 983 CD ARG 63 -12.918 -27.468 28.401 1.00 34.25 ATOM 984 HD1 ARG 63 -13.620 -28.052 28.984 1.00 36.85 ATOM 985 HD2 ARG 63 -12.381 -28.124 27.732 1.00 30.02 ATOM 986 NE ARG 63 -13.653 -26.489 27.606 1.00 51.44 ATOM 987 HE ARG 63 -13.413 -25.538 27.707 1.00 72.23 ATOM 988 CZ ARG 63 -14.622 -26.810 26.756 1.00 60.13 ATOM 989 NH1 ARG 63 -14.971 -28.079 26.592 1.00 12.35 ATOM 990 HH11 ARG 63 -14.518 -28.812 27.098 1.00 61.43 ATOM 991 HH12 ARG 63 -15.703 -28.313 25.949 1.00 61.13 ATOM 992 NH2 ARG 63 -15.244 -25.862 26.067 1.00 11.42 ATOM 993 HH21 ARG 63 -14.985 -24.901 26.185 1.00 62.23 ATOM 994 HH22 ARG 63 -15.975 -26.103 25.425 1.00 41.42 ATOM 995 C ARG 63 -10.891 -26.932 32.120 1.00 72.52 ATOM 996 O ARG 63 -11.397 -27.703 32.935 1.00 4.23 ATOM 997 N GLU 64 -9.671 -27.103 31.621 1.00 22.43 ATOM 998 HN GLU 64 -9.330 -26.496 30.936 1.00 36.85 ATOM 999 CA GLU 64 -8.837 -28.234 32.014 1.00 54.21 ATOM 1000 HA GLU 64 -9.476 -29.045 32.349 1.00 51.13 ATOM 1001 CB GLU 64 -8.010 -28.724 30.824 1.00 52.15 ATOM 1002 HB1 GLU 64 -7.199 -29.344 31.188 1.00 36.85 ATOM 1003 HB2 GLU 64 -7.592 -27.869 30.312 1.00 65.13 ATOM 1004 CG GLU 64 -8.811 -29.533 29.818 1.00 73.42 ATOM 1005 HG1 GLU 64 -9.424 -28.869 29.237 1.00 36.85 ATOM 1006 HG2 GLU 64 -9.447 -30.227 30.351 1.00 54.01 ATOM 1007 CD GLU 64 -7.930 -30.333 28.878 1.00 22.11 ATOM 1008 OE1 GLU 64 -8.277 -30.438 27.683 1.00 33.44 ATOM 1009 OE2 GLU 64 -6.892 -30.854 29.338 1.00 1.54 ATOM 1010 C GLU 64 -7.913 -27.854 33.167 1.00 15.24 ATOM 1011 O GLU 64 -6.919 -28.531 33.429 1.00 41.33 ATOM 1012 N ARG 65 -8.250 -26.766 33.853 1.00 24.34 ATOM 1013 HN ARG 65 -9.041 -26.251 33.626 1.00 36.85 ATOM 1014 CA ARG 65 -7.450 -26.295 34.977 1.00 0.45 ATOM 1015 HA ARG 65 -7.824 -25.325 35.266 1.00 72.11 ATOM 1016 CB ARG 65 -7.583 -27.253 36.163 1.00 44.43 ATOM 1017 HB1 ARG 65 -7.074 -26.829 37.019 1.00 36.85 ATOM 1018 HB2 ARG 65 -7.113 -28.195 35.909 1.00 75.21 ATOM 1019 CG ARG 65 -9.023 -27.544 36.553 1.00 44.54 ATOM 1020 HG1 ARG 65 -9.023 -28.309 37.317 1.00 36.85 ATOM 1021 HG2 ARG 65 -9.566 -27.901 35.690 1.00 30.23 ATOM 1022 CD ARG 65 -9.714 -26.303 37.095 1.00 54.31 ATOM 1023 HD1 ARG 65 -10.148 -25.771 36.261 1.00 36.85 ATOM 1024 HD2 ARG 65 -8.994 -25.657 37.584 1.00 23.13 ATOM 1025 NE ARG 65 -10.783 -26.637 38.033 1.00 61.44 ATOM 1026 HE ARG 65 -11.705 -26.608 37.695 1.00 63.52 ATOM 1027 CZ ARG 65 -10.570 -26.973 39.300 1.00 22.01 ATOM 1028 NH1 ARG 65 -9.334 -27.018 39.779 1.00 52.03 ATOM 1029 HH11 ARG 65 -8.544 -26.807 39.209 1.00 64.12 ATOM 1030 HH12 ARG 65 -9.186 -27.269 40.738 1.00 44.11 ATOM 1031 NH2 ARG 65 -11.594 -27.264 40.092 1.00 71.23 ATOM 1032 HH21 ARG 65 -12.531 -27.231 39.737 1.00 30.15 ATOM 1033 HH22 ARG 65 -11.435 -27.518 41.048 1.00 2.22 ATOM 1034 C ARG 65 -5.983 -26.158 34.582 1.00 63.24 ATOM 1035 O ARG 65 -5.088 -26.320 35.412 1.00 40.13 ATOM 1036 N ARG 66 -5.744 -25.860 33.309 1.00 62.33 ATOM 1037 HN ARG 66 -6.485 -25.679 32.693 1.00 36.85 ATOM 1038 CA ARG 66 -4.386 -25.704 32.802 1.00 24.05 ATOM 1039 HA ARG 66 -3.681 -26.000 33.574 1.00 23.33 ATOM 1040 CB ARG 66 -4.169 -26.594 31.577 1.00 35.44 ATOM 1041 HB1 ARG 66 -3.324 -26.215 31.010 1.00 36.85 ATOM 1042 HB2 ARG 66 -5.052 -26.555 30.954 1.00 74.32 ATOM 1043 CG ARG 66 -3.895 -28.049 31.922 1.00 2.14 ATOM 1044 HG1 ARG 66 -4.829 -28.536 32.150 1.00 36.85 ATOM 1045 HG2 ARG 66 -3.241 -28.100 32.782 1.00 62.42 ATOM 1046 CD ARG 66 -3.230 -28.780 30.766 1.00 2.34 ATOM 1047 HD1 ARG 66 -2.934 -29.756 31.123 1.00 36.85 ATOM 1048 HD2 ARG 66 -2.351 -28.231 30.453 1.00 63.34 ATOM 1049 NE ARG 66 -4.130 -28.935 29.627 1.00 61.30 ATOM 1050 HE ARG 66 -4.933 -28.365 29.592 1.00 21.31 ATOM 1051 CZ ARG 66 -3.921 -29.797 28.637 1.00 2.55 ATOM 1052 NH1 ARG 66 -2.848 -30.576 28.648 1.00 51.30 ATOM 1053 HH11 ARG 66 -2.178 -30.535 29.385 1.00 50.34 ATOM 1054 HH12 ARG 66 -2.702 -31.225 27.898 1.00 24.33 ATOM 1055 NH2 ARG 66 -4.786 -29.880 27.635 1.00 50.01 ATOM 1056 HH21 ARG 66 -5.599 -29.294 27.621 1.00 61.43 ATOM 1057 HH22 ARG 66 -4.631 -30.529 26.887 1.00 63.12 ATOM 1058 C ARG 66 -4.104 -24.248 32.443 1.00 64.24 ATOM 1059 O ARG 66 -5.016 -23.493 32.105 1.00 65.43 ATOM 1060 N VAL 67 -2.834 -23.860 32.518 1.00 34.42 ATOM 1061 HN VAL 67 -2.148 -24.499 32.820 1.00 36.85 ATOM 1062 CA VAL 67 -2.432 -22.496 32.200 1.00 2.42 ATOM 1063 HA VAL 67 -3.318 -21.881 32.076 1.00 1.10 ATOM 1064 CB VAL 67 -1.588 -21.881 33.332 1.00 24.25 ATOM 1065 HB VAL 67 -0.668 -22.444 33.423 1.00 0.34 ATOM 1066 CG1 VAL 67 -1.232 -20.438 33.011 1.00 42.25 ATOM 1067 HG11 VAL 67 -1.099 -19.870 33.924 1.00 51.45 ATOM 1068 HG12 VAL 67 -2.006 -19.974 32.413 1.00 62.32 ATOM 1069 HG13 VAL 67 -0.308 -20.436 32.470 1.00 0.41 ATOM 1070 CG2 VAL 67 -2.328 -21.973 34.658 1.00 24.54 ATOM 1071 HG21 VAL 67 -2.514 -23.009 34.901 1.00 14.33 ATOM 1072 HG22 VAL 67 -3.270 -21.446 34.588 1.00 71.04 ATOM 1073 HG23 VAL 67 -1.727 -21.528 35.440 1.00 14.54 ATOM 1074 C VAL 67 -1.634 -22.446 30.902 1.00 22.51 ATOM 1075 O VAL 67 -1.597 -21.421 30.222 1.00 53.25 ATOM 1076 N HIS 68 -0.995 -23.562 30.564 1.00 73.23 ATOM 1077 HN HIS 68 -1.069 -24.354 31.129 1.00 36.85 ATOM 1078 CA HIS 68 -0.198 -23.647 29.345 1.00 22.24 ATOM 1079 HA HIS 68 0.072 -22.657 29.043 1.00 23.43 ATOM 1080 CB HIS 68 1.087 -24.434 29.605 1.00 32.54 ATOM 1081 HB1 HIS 68 1.708 -23.871 30.287 1.00 36.85 ATOM 1082 HB2 HIS 68 1.624 -24.574 28.676 1.00 51.52 ATOM 1083 CG HIS 68 0.850 -25.784 30.211 1.00 42.15 ATOM 1084 ND1 HIS 68 0.850 -26.009 31.571 1.00 70.11 ATOM 1085 HD1 HIS 68 1.001 -25.332 32.263 1.00 43.51 ATOM 1086 CD2 HIS 68 0.603 -26.983 29.632 1.00 4.42 ATOM 1087 HD2 HIS 68 0.531 -27.180 28.572 1.00 73.01 ATOM 1088 CE1 HIS 68 0.615 -27.288 31.803 1.00 21.22 ATOM 1089 HE1 HIS 68 0.557 -27.753 32.776 1.00 33.34 ATOM 1090 NE2 HIS 68 0.461 -27.901 30.643 1.00 3.12 ATOM 1091 HE2 HIS 68 0.183 -28.834 30.530 1.00 36.85 ATOM 1092 C HIS 68 -0.992 -24.304 28.221 1.00 73.23 ATOM 1093 O HIS 68 -1.652 -25.323 28.426 1.00 64.42 ATOM 1094 N VAL 69 -0.925 -23.713 27.032 1.00 75.21 ATOM 1095 HN VAL 69 -0.373 -22.904 26.919 1.00 36.85 ATOM 1096 CA VAL 69 -1.638 -24.241 25.875 1.00 71.14 ATOM 1097 HA VAL 69 -2.422 -24.910 26.222 1.00 3.35 ATOM 1098 CB VAL 69 -2.314 -23.115 25.070 1.00 12.01 ATOM 1099 HB VAL 69 -1.555 -22.436 24.721 1.00 10.22 ATOM 1100 CG1 VAL 69 -3.028 -23.683 23.853 1.00 52.41 ATOM 1101 HG11 VAL 69 -2.341 -24.220 23.219 1.00 55.34 ATOM 1102 HG12 VAL 69 -3.458 -22.872 23.289 1.00 40.34 ATOM 1103 HG13 VAL 69 -3.811 -24.343 24.184 1.00 40.34 ATOM 1104 CG2 VAL 69 -3.281 -22.338 25.951 1.00 3.11 ATOM 1105 HG21 VAL 69 -3.749 -21.554 25.374 1.00 44.31 ATOM 1106 HG22 VAL 69 -2.744 -21.896 26.778 1.00 22.04 ATOM 1107 HG23 VAL 69 -4.043 -23.005 26.332 1.00 61.42 ATOM 1108 C VAL 69 -0.698 -25.013 24.956 1.00 71.33 ATOM 1109 O VAL 69 0.300 -24.475 24.475 1.00 23.45 ATOM 1110 N THR 70 -1.024 -26.279 24.714 1.00 62.35 ATOM 1111 HN THR 70 -1.843 -26.653 25.114 1.00 36.85 ATOM 1112 CA THR 70 -0.209 -27.127 23.853 1.00 42.14 ATOM 1113 HA THR 70 0.825 -26.802 23.917 1.00 12.20 ATOM 1114 CB THR 70 -0.264 -28.600 24.300 1.00 42.14 ATOM 1115 HB THR 70 0.448 -29.168 23.716 1.00 15.21 ATOM 1116 OG1 THR 70 -1.576 -29.130 24.080 1.00 64.15 ATOM 1117 HG1 THR 70 -2.230 -28.688 24.635 1.00 25.34 ATOM 1118 CG2 THR 70 0.102 -28.733 25.770 1.00 24.21 ATOM 1119 HG21 THR 70 1.087 -28.321 25.939 1.00 14.21 ATOM 1120 HG22 THR 70 0.100 -29.777 26.045 1.00 71.13 ATOM 1121 HG23 THR 70 -0.620 -28.203 26.374 1.00 71.02 ATOM 1122 C THR 70 -0.661 -27.031 22.400 1.00 61.41 ATOM 1123 O THR 70 -1.780 -26.607 22.116 1.00 15.31 ATOM 1124 N GLN 71 0.217 -27.430 21.484 1.00 14.45 ATOM 1125 HN GLN 71 1.102 -27.759 21.775 1.00 36.85 ATOM 1126 CA GLN 71 -0.094 -27.388 20.060 1.00 21.34 ATOM 1127 HA GLN 71 -0.180 -26.351 19.768 1.00 21.22 ATOM 1128 CB GLN 71 1.031 -28.038 19.253 1.00 51.14 ATOM 1129 HB1 GLN 71 1.245 -29.007 19.682 1.00 36.85 ATOM 1130 HB2 GLN 71 1.914 -27.425 19.320 1.00 11.22 ATOM 1131 CG GLN 71 0.692 -28.231 17.783 1.00 15.14 ATOM 1132 HG1 GLN 71 0.517 -27.261 17.340 1.00 36.85 ATOM 1133 HG2 GLN 71 -0.199 -28.833 17.694 1.00 52.54 ATOM 1134 CD GLN 71 1.796 -28.932 17.017 1.00 52.55 ATOM 1135 OE1 GLN 71 2.434 -29.852 17.527 1.00 24.12 ATOM 1136 NE2 GLN 71 2.027 -28.499 15.783 1.00 53.54 ATOM 1137 HE21 GLN 71 1.488 -27.758 15.425 1.00 42.22 ATOM 1138 HE22 GLN 71 2.729 -28.949 15.269 1.00 41.33 ATOM 1139 C GLN 71 -1.416 -28.092 19.771 1.00 42.31 ATOM 1140 O GLN 71 -2.213 -27.624 18.958 1.00 23.51 ATOM 1141 N GLU 72 -1.641 -29.217 20.441 1.00 23.53 ATOM 1142 HN GLU 72 -0.958 -29.556 21.067 1.00 36.85 ATOM 1143 CA GLU 72 -2.866 -29.985 20.254 1.00 31.40 ATOM 1144 HA GLU 72 -2.852 -30.390 19.259 1.00 73.32 ATOM 1145 CB GLU 72 -2.926 -31.144 21.252 1.00 41.21 ATOM 1146 HB1 GLU 72 -3.898 -31.620 21.175 1.00 36.85 ATOM 1147 HB2 GLU 72 -2.809 -30.747 22.250 1.00 44.21 ATOM 1148 CG GLU 72 -1.851 -32.195 21.030 1.00 53.33 ATOM 1149 HG1 GLU 72 -0.966 -31.904 21.576 1.00 36.85 ATOM 1150 HG2 GLU 72 -1.617 -32.255 19.975 1.00 64.10 ATOM 1151 CD GLU 72 -2.278 -33.573 21.497 1.00 44.12 ATOM 1152 OE1 GLU 72 -3.211 -34.142 20.894 1.00 71.03 ATOM 1153 OE2 GLU 72 -1.677 -34.082 22.466 1.00 22.21 ATOM 1154 C GLU 72 -4.096 -29.096 20.416 1.00 64.21 ATOM 1155 O GLU 72 -5.068 -29.222 19.672 1.00 35.41 ATOM 1156 N ASP 73 -4.044 -28.198 21.393 1.00 1.12 ATOM 1157 HN ASP 73 -3.243 -28.149 21.967 1.00 36.85 ATOM 1158 CA ASP 73 -5.152 -27.287 21.654 1.00 54.34 ATOM 1159 HA ASP 73 -6.041 -27.890 21.802 1.00 54.51 ATOM 1160 CB ASP 73 -4.879 -26.463 22.913 1.00 24.41 ATOM 1161 HB1 ASP 73 -4.353 -25.568 22.640 1.00 36.85 ATOM 1162 HB2 ASP 73 -4.268 -27.038 23.596 1.00 3.02 ATOM 1163 CG ASP 73 -6.152 -26.073 23.638 1.00 62.32 ATOM 1164 OD1 ASP 73 -6.063 -25.668 24.816 1.00 73.34 ATOM 1165 OD2 ASP 73 -7.237 -26.174 23.027 1.00 0.35 ATOM 1166 C ASP 73 -5.384 -26.359 20.465 1.00 61.01 ATOM 1167 O ASP 73 -6.521 -26.000 20.156 1.00 24.51 ATOM 1168 N PHE 74 -4.299 -25.973 19.802 1.00 42.00 ATOM 1169 HN PHE 74 -3.413 -26.272 20.106 1.00 36.85 ATOM 1170 CA PHE 74 -4.383 -25.085 18.648 1.00 33.12 ATOM 1171 HA PHE 74 -4.987 -24.227 18.925 1.00 65.15 ATOM 1172 CB PHE 74 -2.987 -24.612 18.239 1.00 11.51 ATOM 1173 HB1 PHE 74 -2.953 -24.495 17.182 1.00 36.85 ATOM 1174 HB2 PHE 74 -2.252 -25.347 18.521 1.00 5.03 ATOM 1175 CG PHE 74 -2.596 -23.297 18.852 1.00 32.34 ATOM 1176 CD1 PHE 74 -1.800 -23.256 19.986 1.00 74.21 ATOM 1177 HD1 PHE 74 -1.465 -24.180 20.433 1.00 55.30 ATOM 1178 CD2 PHE 74 -3.024 -22.103 18.295 1.00 30.11 ATOM 1179 HD2 PHE 74 -3.645 -22.119 17.410 1.00 53.55 ATOM 1180 CE1 PHE 74 -1.440 -22.048 20.553 1.00 71.24 ATOM 1181 HE1 PHE 74 -0.820 -22.029 21.437 1.00 50.53 ATOM 1182 CE2 PHE 74 -2.666 -20.892 18.857 1.00 35.01 ATOM 1183 HE2 PHE 74 -3.006 -19.968 18.413 1.00 54.30 ATOM 1184 CZ PHE 74 -1.873 -20.865 19.987 1.00 45.32 ATOM 1185 HZ PHE 74 -1.600 -19.927 20.432 1.00 44.21 ATOM 1186 C PHE 74 -5.060 -25.784 17.473 1.00 54.33 ATOM 1187 O PHE 74 -6.052 -25.293 16.934 1.00 44.24 ATOM 1188 N GLU 75 -4.517 -26.932 17.081 1.00 3.04 ATOM 1189 HN GLU 75 -3.708 -27.253 17.541 1.00 36.85 ATOM 1190 CA GLU 75 -5.067 -27.697 15.969 1.00 34.31 ATOM 1191 HA GLU 75 -5.050 -27.073 15.087 1.00 31.30 ATOM 1192 CB GLU 75 -4.217 -28.942 15.707 1.00 41.12 ATOM 1193 HB1 GLU 75 -3.240 -28.645 15.379 1.00 36.85 ATOM 1194 HB2 GLU 75 -4.680 -29.521 14.917 1.00 42.43 ATOM 1195 CG GLU 75 -4.055 -29.836 16.924 1.00 33.34 ATOM 1196 HG1 GLU 75 -5.025 -30.089 17.319 1.00 36.85 ATOM 1197 HG2 GLU 75 -3.494 -29.304 17.666 1.00 43.02 ATOM 1198 CD GLU 75 -3.326 -31.128 16.607 1.00 15.41 ATOM 1199 OE1 GLU 75 -3.999 -32.115 16.242 1.00 4.32 ATOM 1200 OE2 GLU 75 -2.083 -31.150 16.724 1.00 72.52 ATOM 1201 C GLU 75 -6.511 -28.104 16.251 1.00 61.34 ATOM 1202 O GLU 75 -7.337 -28.169 15.341 1.00 52.31 ATOM 1203 N MET 76 -6.806 -28.378 17.517 1.00 20.41 ATOM 1204 HN MET 76 -6.100 -28.328 18.203 1.00 36.85 ATOM 1205 CA MET 76 -8.149 -28.779 17.919 1.00 55.41 ATOM 1206 HA MET 76 -8.432 -29.642 17.328 1.00 33.45 ATOM 1207 CB MET 76 -8.173 -29.144 19.404 1.00 30.04 ATOM 1208 HB1 MET 76 -9.112 -28.822 19.826 1.00 36.85 ATOM 1209 HB2 MET 76 -7.381 -28.613 19.913 1.00 42.23 ATOM 1210 CG MET 76 -7.990 -30.630 19.668 1.00 43.23 ATOM 1211 HG1 MET 76 -6.945 -30.820 19.859 1.00 36.85 ATOM 1212 HG2 MET 76 -8.302 -31.199 18.802 1.00 2.13 ATOM 1213 SD MET 76 -8.942 -31.207 21.086 1.00 51.40 ATOM 1214 CE MET 76 -10.611 -30.858 20.537 1.00 31.23 ATOM 1215 HE1 MET 76 -10.706 -31.102 19.489 1.00 62.51 ATOM 1216 HE2 MET 76 -10.831 -29.812 20.687 1.00 65.10 ATOM 1217 HE3 MET 76 -11.307 -31.455 21.107 1.00 30.51 ATOM 1218 C MET 76 -9.154 -27.665 17.641 1.00 34.13 ATOM 1219 O MET 76 -10.194 -27.895 17.024 1.00 12.45 ATOM 1220 N ALA 77 -8.837 -26.459 18.101 1.00 63.31 ATOM 1221 HN ALA 77 -7.990 -26.338 18.594 1.00 36.85 ATOM 1222 CA ALA 77 -9.711 -25.311 17.900 1.00 12.51 ATOM 1223 HA ALA 77 -10.649 -25.510 18.402 1.00 11.24 ATOM 1224 CB ALA 77 -9.099 -24.066 18.525 1.00 41.41 ATOM 1225 HB1 ALA 77 -8.098 -23.932 18.145 1.00 63.12 ATOM 1226 HB2 ALA 77 -9.057 -24.186 19.595 1.00 72.13 ATOM 1227 HB3 ALA 77 -9.694 -23.206 18.277 1.00 13.35 ATOM 1228 C ALA 77 -9.984 -25.081 16.418 1.00 54.04 ATOM 1229 O ALA 77 -11.064 -24.627 16.038 1.00 70.31 ATOM 1230 N VAL 78 -8.999 -25.396 15.583 1.00 21.51 ATOM 1231 HN VAL 78 -8.155 -25.753 15.941 1.00 36.85 ATOM 1232 CA VAL 78 -9.133 -25.225 14.142 1.00 54.15 ATOM 1233 HA VAL 78 -9.366 -24.185 13.945 1.00 54.23 ATOM 1234 CB VAL 78 -7.824 -25.575 13.410 1.00 60.10 ATOM 1235 HB VAL 78 -7.570 -26.598 13.626 1.00 44.40 ATOM 1236 CG1 VAL 78 -8.002 -25.446 11.905 1.00 71.41 ATOM 1237 HG11 VAL 78 -8.548 -26.299 11.530 1.00 0.02 ATOM 1238 HG12 VAL 78 -7.034 -25.409 11.423 1.00 3.32 ATOM 1239 HG13 VAL 78 -8.549 -24.542 11.673 1.00 43.53 ATOM 1240 CG2 VAL 78 -6.688 -24.689 13.898 1.00 20.14 ATOM 1241 HG21 VAL 78 -6.906 -23.657 13.660 1.00 33.10 ATOM 1242 HG22 VAL 78 -5.777 -24.983 13.404 1.00 11.11 ATOM 1243 HG23 VAL 78 -6.566 -24.792 14.951 1.00 61.32 ATOM 1244 C VAL 78 -10.259 -26.091 13.588 1.00 54.23 ATOM 1245 O VAL 78 -11.111 -25.614 12.838 1.00 60.51 ATOM 1246 N ALA 79 -10.257 -27.366 13.963 1.00 52.31 ATOM 1247 HN ALA 79 -9.546 -27.691 14.567 1.00 36.85 ATOM 1248 CA ALA 79 -11.280 -28.298 13.506 1.00 60.21 ATOM 1249 HA ALA 79 -11.316 -28.261 12.424 1.00 41.04 ATOM 1250 CB ALA 79 -10.917 -29.719 13.911 1.00 74.31 ATOM 1251 HB1 ALA 79 -9.944 -29.967 13.512 1.00 22.44 ATOM 1252 HB2 ALA 79 -11.651 -30.409 13.518 1.00 41.35 ATOM 1253 HB3 ALA 79 -10.892 -29.795 14.989 1.00 50.51 ATOM 1254 C ALA 79 -12.651 -27.923 14.057 1.00 12.42 ATOM 1255 O ALA 79 -13.675 -28.146 13.410 1.00 3.52 ATOM 1256 N LYS 80 -12.665 -27.352 15.257 1.00 51.30 ATOM 1257 HN LYS 80 -11.818 -27.205 15.739 1.00 36.85 ATOM 1258 CA LYS 80 -13.911 -26.944 15.896 1.00 25.04 ATOM 1259 HA LYS 80 -14.618 -27.761 15.820 1.00 25.33 ATOM 1260 CB LYS 80 -13.672 -26.641 17.377 1.00 0.33 ATOM 1261 HB1 LYS 80 -12.862 -25.929 17.455 1.00 36.85 ATOM 1262 HB2 LYS 80 -13.372 -27.559 17.862 1.00 62.55 ATOM 1263 CG LYS 80 -14.885 -26.059 18.082 1.00 32.22 ATOM 1264 HG1 LYS 80 -15.784 -26.321 17.532 1.00 36.85 ATOM 1265 HG2 LYS 80 -14.785 -24.984 18.111 1.00 31.34 ATOM 1266 CD LYS 80 -15.003 -26.575 19.507 1.00 43.52 ATOM 1267 HD1 LYS 80 -14.457 -25.914 20.165 1.00 36.85 ATOM 1268 HD2 LYS 80 -14.590 -27.572 19.566 1.00 44.21 ATOM 1269 CE LYS 80 -16.454 -26.649 19.955 1.00 53.23 ATOM 1270 HE1 LYS 80 -16.792 -27.670 19.860 1.00 36.85 ATOM 1271 HE2 LYS 80 -17.067 -26.010 19.331 1.00 71.52 ATOM 1272 NZ LYS 80 -16.620 -26.221 21.371 1.00 12.14 ATOM 1273 HZ1 LYS 80 -17.622 -26.283 21.645 1.00 34.22 ATOM 1274 HZ2 LYS 80 -16.302 -25.237 21.492 1.00 14.42 ATOM 1275 HZ3 LYS 80 -16.063 -26.834 22.002 1.00 70.21 ATOM 1276 C LYS 80 -14.502 -25.720 15.205 1.00 41.13 ATOM 1277 O LYS 80 -15.721 -25.585 15.095 1.00 44.15 ATOM 1278 N VAL 81 -13.631 -24.830 14.739 1.00 62.42 ATOM 1279 HN VAL 81 -12.665 -24.980 14.859 1.00 36.85 ATOM 1280 CA VAL 81 -14.067 -23.619 14.055 1.00 11.33 ATOM 1281 HA VAL 81 -14.962 -23.248 14.546 1.00 41.14 ATOM 1282 CB VAL 81 -12.992 -22.517 14.125 1.00 75.44 ATOM 1283 HB VAL 81 -12.099 -22.875 13.630 1.00 41.25 ATOM 1284 CG1 VAL 81 -13.465 -21.264 13.404 1.00 12.24 ATOM 1285 HG11 VAL 81 -14.436 -20.969 13.778 1.00 34.51 ATOM 1286 HG12 VAL 81 -13.529 -21.450 12.343 1.00 24.42 ATOM 1287 HG13 VAL 81 -12.761 -20.459 13.573 1.00 5.35 ATOM 1288 CG2 VAL 81 -12.638 -22.209 15.572 1.00 75.43 ATOM 1289 HG21 VAL 81 -13.433 -21.628 16.024 1.00 54.15 ATOM 1290 HG22 VAL 81 -11.726 -21.639 15.604 1.00 4.32 ATOM 1291 HG23 VAL 81 -12.510 -23.111 16.135 1.00 33.42 ATOM 1292 C VAL 81 -14.397 -23.901 12.594 1.00 43.52 ATOM 1293 O VAL 81 -15.398 -23.415 12.068 1.00 44.40 ATOM 1294 N MET 82 -13.548 -24.689 11.943 1.00 61.40 ATOM 1295 HN MET 82 -12.762 -25.049 12.414 1.00 36.85 ATOM 1296 CA MET 82 -13.750 -25.038 10.541 1.00 13.34 ATOM 1297 HA MET 82 -14.028 -24.143 10.003 1.00 73.21 ATOM 1298 CB MET 82 -12.462 -25.607 9.944 1.00 11.00 ATOM 1299 HB1 MET 82 -12.650 -25.933 8.928 1.00 36.85 ATOM 1300 HB2 MET 82 -12.155 -26.460 10.532 1.00 64.12 ATOM 1301 CG MET 82 -11.312 -24.613 9.921 1.00 21.53 ATOM 1302 HG1 MET 82 -10.422 -25.119 9.577 1.00 36.85 ATOM 1303 HG2 MET 82 -11.147 -24.245 10.921 1.00 74.34 ATOM 1304 SD MET 82 -11.636 -23.200 8.850 1.00 14.44 ATOM 1305 CE MET 82 -10.989 -23.800 7.292 1.00 51.41 ATOM 1306 HE1 MET 82 -10.094 -23.260 7.046 1.00 62.21 ATOM 1307 HE2 MET 82 -11.726 -23.636 6.532 1.00 44.22 ATOM 1308 HE3 MET 82 -10.781 -24.850 7.357 1.00 25.25 ATOM 1309 C MET 82 -14.884 -26.047 10.390 1.00 11.03 ATOM 1310 O MET 82 -15.543 -26.102 9.353 1.00 52.45 ATOM 1311 N GLN 83 -15.104 -26.843 11.431 1.00 33.24 ATOM 1312 HN GLN 83 -14.543 -26.781 12.234 1.00 36.85 ATOM 1313 CA GLN 83 -16.158 -27.851 11.412 1.00 1.14 ATOM 1314 HA GLN 83 -16.043 -28.467 12.291 1.00 54.44 ATOM 1315 CB GLN 83 -17.533 -27.182 11.450 1.00 71.13 ATOM 1316 HB1 GLN 83 -18.293 -27.955 11.447 1.00 36.85 ATOM 1317 HB2 GLN 83 -17.652 -26.569 10.567 1.00 71.04 ATOM 1318 CG GLN 83 -17.747 -26.299 12.668 1.00 34.14 ATOM 1319 HG1 GLN 83 -17.253 -25.352 12.501 1.00 36.85 ATOM 1320 HG2 GLN 83 -17.315 -26.780 13.537 1.00 61.40 ATOM 1321 CD GLN 83 -19.214 -26.043 12.953 1.00 33.32 ATOM 1322 OE1 GLN 83 -19.848 -26.775 13.715 1.00 64.15 ATOM 1323 NE2 GLN 83 -19.763 -25.000 12.342 1.00 71.23 ATOM 1324 HE21 GLN 83 -19.209 -24.449 11.744 1.00 61.22 ATOM 1325 HE22 GLN 83 -20.711 -24.818 12.514 1.00 63.11 ATOM 1326 C GLN 83 -16.043 -28.735 10.175 1.00 20.54 ATOM 1327 O GLN 83 -16.996 -28.877 9.409 1.00 51.30 ATOM 1328 N LYS 84 -14.870 -29.329 9.986 1.00 64.51 ATOM 1329 HN LYS 84 -14.136 -29.167 10.627 1.00 36.85 ATOM 1330 CA LYS 84 -14.629 -30.202 8.842 1.00 2.45 ATOM 1331 HA LYS 84 -15.556 -30.716 8.603 1.00 23.55 ATOM 1332 CB LYS 84 -14.194 -29.377 7.629 1.00 64.22 ATOM 1333 HB1 LYS 84 -13.793 -30.041 6.871 1.00 36.85 ATOM 1334 HB2 LYS 84 -13.417 -28.696 7.942 1.00 73.24 ATOM 1335 CG LYS 84 -15.321 -28.576 7.002 1.00 52.31 ATOM 1336 HG1 LYS 84 -15.730 -27.901 7.728 1.00 36.85 ATOM 1337 HG2 LYS 84 -16.090 -29.255 6.669 1.00 42.12 ATOM 1338 CD LYS 84 -14.835 -27.766 5.811 1.00 32.43 ATOM 1339 HD1 LYS 84 -15.694 -27.366 5.291 1.00 36.85 ATOM 1340 HD2 LYS 84 -14.277 -28.406 5.141 1.00 64.54 ATOM 1341 CE LYS 84 -13.947 -26.612 6.248 1.00 42.53 ATOM 1342 HE1 LYS 84 -13.031 -27.011 6.655 1.00 36.85 ATOM 1343 HE2 LYS 84 -14.459 -26.037 7.008 1.00 34.20 ATOM 1344 NZ LYS 84 -13.614 -25.708 5.112 1.00 51.31 ATOM 1345 HZ1 LYS 84 -14.484 -25.310 4.699 1.00 44.52 ATOM 1346 HZ2 LYS 84 -13.100 -26.230 4.373 1.00 21.24 ATOM 1347 HZ3 LYS 84 -13.016 -24.928 5.443 1.00 74.11 ATOM 1348 C LYS 84 -13.566 -31.246 9.169 1.00 43.41 ATOM 1349 O LYS 84 -12.456 -30.907 9.581 1.00 61.33 ATOM 1350 N ASP 85 -13.912 -32.514 8.981 1.00 23.31 ATOM 1351 HN ASP 85 -14.811 -32.734 8.646 1.00 36.85 ATOM 1352 CA ASP 85 -12.986 -33.608 9.253 1.00 1.31 ATOM 1353 HA ASP 85 -12.061 -33.193 9.641 1.00 44.13 ATOM 1354 CB ASP 85 -13.576 -34.556 10.299 1.00 43.54 ATOM 1355 HB1 ASP 85 -14.286 -35.231 9.840 1.00 36.85 ATOM 1356 HB2 ASP 85 -14.090 -33.971 11.050 1.00 23.21 ATOM 1357 CG ASP 85 -12.512 -35.375 11.003 1.00 10.40 ATOM 1358 OD1 ASP 85 -11.465 -34.800 11.366 1.00 2.32 ATOM 1359 OD2 ASP 85 -12.726 -36.591 11.190 1.00 15.34 ATOM 1360 C ASP 85 -12.663 -34.377 7.976 1.00 42.31 ATOM 1361 O ASP 85 -13.340 -35.347 7.636 1.00 63.02 ATOM 1362 N SER 86 -11.625 -33.936 7.272 1.00 10.21 ATOM 1363 HN SER 86 -11.108 -33.162 7.599 1.00 36.85 ATOM 1364 HA SER 86 -12.012 -35.228 5.683 1.00 13.33 ATOM 1365 CB SER 86 -10.953 -33.529 4.949 1.00 63.23 ATOM 1366 HB1 SER 86 -11.859 -32.966 4.775 1.00 36.85 ATOM 1367 HB2 SER 86 -10.654 -34.016 4.031 1.00 2.33 ATOM 1368 OG SER 86 -9.932 -32.631 5.347 1.00 24.24 ATOM 1369 HG SER 86 -9.072 -33.026 5.183 1.00 11.22 ATOM 1370 CA SER 86 -11.215 -34.580 6.030 1.00 51.44 ATOM 1371 C SER 86 -9.966 -35.428 6.244 1.00 64.31 ATOM 1372 OT1 SER 86 -10.011 -36.638 5.932 1.00 36.85 ATOM 1373 OT2 SER 86 -8.952 -34.882 6.733 1.00 36.85 ATOM 1374 OH2 TIP3 1 -14.904 -34.732 1.623 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -14.764 -35.323 0.884 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -14.736 -33.859 1.267 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -13.062 -38.392 -0.311 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -13.714 -37.697 -0.222 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -12.597 -38.182 -1.121 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -15.197 -40.558 3.680 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -15.604 -40.077 2.960 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -15.156 -41.463 3.373 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -15.119 -36.568 -0.462 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -14.477 -36.111 -1.005 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -15.949 -36.455 -0.924 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -18.499 -33.055 1.939 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -19.400 -32.872 1.671 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -18.465 -32.796 2.860 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -16.624 -30.425 1.987 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -17.226 -30.980 1.492 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.343 -29.758 1.361 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -18.466 -32.201 4.531 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -18.817 -33.057 4.774 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -17.740 -32.058 5.138 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -17.343 -35.804 1.952 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.598 -35.216 1.832 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -18.100 -35.222 2.015 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -19.934 -37.010 5.208 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -18.981 -36.926 5.180 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -20.094 -37.721 5.827 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -18.204 -40.502 5.773 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -18.012 -41.433 5.662 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -17.347 -40.077 5.763 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -16.888 -37.713 3.851 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.169 -37.004 3.273 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -15.945 -37.786 3.700 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -12.638 -29.521 -1.817 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -12.660 -29.336 -0.878 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -11.948 -28.952 -2.158 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -13.075 -29.954 1.105 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -13.562 -30.689 0.734 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -12.526 -30.347 1.783 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -13.170 -35.069 -1.971 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -12.336 -35.447 -2.252 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -13.058 -34.126 -2.090 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -14.683 -32.191 0.336 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.331 -31.866 0.961 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -15.201 -32.631 -0.339 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -14.286 -37.363 3.283 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -13.703 -38.097 3.474 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -13.722 -36.591 3.329 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -12.789 -39.460 3.967 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -13.652 -39.839 3.802 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -12.185 -40.199 3.893 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -21.250 -30.128 3.516 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -21.065 -30.462 4.394 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -20.403 -29.819 3.194 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.905 -28.843 2.760 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -18.228 -29.475 2.520 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.583 -28.441 3.568 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.654 -29.905 -0.245 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.558 -29.740 -0.511 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -18.225 -29.052 -0.311 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.049 -28.335 0.050 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.231 -27.419 -0.161 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.873 -28.745 -0.797 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -19.152 -37.014 12.799 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -19.063 -36.070 12.667 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -19.791 -37.289 12.141 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.513 -34.820 14.520 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.954 -35.540 14.970 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.526 -34.099 15.150 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -19.355 -34.413 11.842 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.651 -34.735 10.991 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -19.679 -33.513 11.884 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -16.001 -32.980 16.868 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.943 -32.922 17.029 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -15.725 -32.074 16.731 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -17.749 -31.199 13.493 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -17.324 -31.906 13.008 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -17.432 -30.398 13.076 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -14.904 -34.732 20.479 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -14.764 -35.323 19.740 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -14.736 -33.859 20.123 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -20.431 -37.770 10.251 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -21.143 -37.235 9.900 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -19.740 -37.714 9.591 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -13.062 -38.392 18.545 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -13.714 -37.697 18.634 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -12.597 -38.182 17.735 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.025 -37.560 11.203 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -17.757 -37.332 11.776 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -16.578 -38.274 11.658 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.704 -32.658 17.453 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.945 -31.996 18.101 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.902 -33.492 17.878 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -18.154 -38.398 8.888 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.575 -38.248 9.635 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -17.740 -37.927 8.165 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -20.428 -31.661 12.323 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -19.954 -31.366 13.101 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -20.991 -30.923 12.090 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -21.370 -32.477 20.932 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -21.283 -31.651 21.407 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -22.234 -32.807 21.181 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -16.677 -37.365 6.518 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -16.635 -37.588 5.588 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -15.828 -36.967 6.708 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -19.805 -40.101 11.353 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -20.214 -39.286 11.061 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.085 -40.241 10.738 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -18.801 -40.655 14.167 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -18.996 -40.050 13.452 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -18.619 -41.489 13.732 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -15.119 -36.568 18.394 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -14.477 -36.111 17.851 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -15.949 -36.455 17.932 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.653 -41.020 9.468 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -16.761 -41.157 9.787 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.596 -40.229 8.931 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -20.143 -34.242 8.633 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -20.438 -33.416 9.015 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -20.846 -34.862 8.829 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -18.499 -33.055 20.795 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -19.400 -32.872 20.527 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -18.465 -32.796 21.716 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -12.768 -40.810 9.162 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -13.322 -41.206 8.490 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -12.667 -39.900 8.885 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -12.804 -35.010 21.999 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -13.656 -34.772 21.632 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -12.214 -35.027 21.246 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.312 -37.216 16.649 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -18.240 -37.448 16.622 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.861 -37.993 16.319 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -24.769 -32.888 12.782 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -24.242 -32.115 12.581 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -25.649 -32.663 12.480 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -22.827 -31.076 18.673 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -22.464 -30.221 18.440 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -22.295 -31.368 19.414 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -24.658 -30.203 11.903 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -25.608 -30.098 11.955 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -24.307 -29.383 12.248 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.314 -31.668 9.100 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -22.131 -31.171 9.153 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -20.785 -31.193 8.460 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -23.976 -30.625 9.082 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -23.815 -29.825 8.581 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -24.173 -30.318 9.967 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -16.441 -39.427 15.188 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -17.238 -39.842 14.859 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -15.996 -40.118 15.679 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -20.951 -31.073 6.033 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -21.595 -31.704 6.355 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -20.189 -31.604 5.801 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -18.466 -32.201 23.387 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -18.817 -33.057 23.630 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -17.740 -32.058 23.994 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -20.040 -34.299 5.860 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -20.308 -34.119 6.761 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -20.246 -35.225 5.729 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -23.274 -28.440 7.694 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -22.341 -28.282 7.838 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -23.538 -27.765 7.069 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -14.624 -34.164 24.599 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -15.490 -34.269 24.993 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -14.248 -33.405 25.046 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -13.170 -35.069 16.885 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -12.336 -35.447 16.604 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.058 -34.126 16.766 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -14.683 -32.191 19.192 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -15.331 -31.866 19.817 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.201 -32.631 18.517 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -14.312 -40.713 6.879 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -14.215 -40.046 6.199 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -14.452 -41.529 6.397 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -14.286 -37.363 22.139 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -13.703 -38.097 22.330 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -13.722 -36.591 22.185 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -15.432 -41.750 10.962 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -15.152 -42.657 11.087 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -14.673 -41.316 10.573 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -14.820 -41.169 16.398 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -13.887 -40.957 16.364 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -15.055 -41.067 17.321 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -21.250 -30.128 22.372 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -21.065 -30.462 23.250 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -20.403 -29.819 22.050 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -25.692 -28.671 18.490 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -26.557 -28.599 18.894 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -25.747 -28.124 17.706 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -20.981 -28.783 17.666 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -21.438 -28.254 17.012 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -20.818 -28.180 18.391 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.654 -29.905 18.611 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -19.558 -29.740 18.345 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.225 -29.052 18.545 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -24.066 -30.468 15.874 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -23.853 -31.356 15.587 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -24.001 -30.502 16.829 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -16.001 -32.980 35.724 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -16.943 -32.922 35.885 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.725 -32.074 35.587 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -17.749 -31.199 32.349 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -17.324 -31.906 31.864 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -17.432 -30.398 31.932 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.590 -33.298 30.858 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -16.847 -33.988 30.246 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -16.519 -33.741 31.703 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -20.428 -31.661 31.179 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -19.954 -31.366 31.957 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -20.991 -30.923 30.946 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -13.266 -32.282 25.934 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -13.193 -31.343 26.104 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -12.361 -32.587 25.877 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -12.349 -32.051 40.912 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -12.398 -33.006 40.875 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -13.175 -31.783 41.314 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -20.956 -28.705 29.594 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -21.031 -28.826 28.648 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -20.923 -27.755 29.713 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -18.185 -29.625 29.346 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -19.120 -29.525 29.525 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -17.905 -30.334 29.924 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.067 -28.183 42.019 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.867 -27.759 41.184 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -14.411 -27.840 42.626 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -12.804 -35.010 40.855 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -13.656 -34.772 40.488 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -12.214 -35.027 40.102 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -14.472 -32.024 28.483 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -14.845 -32.850 28.793 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -14.195 -32.207 27.586 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -17.080 -34.048 26.304 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -16.727 -34.428 27.108 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -18.029 -34.141 26.390 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.624 -30.425 39.699 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -17.226 -30.980 39.204 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -16.343 -29.758 39.073 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -16.214 -35.375 28.530 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -16.491 -36.103 29.086 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -15.287 -35.256 28.736 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -21.314 -31.668 27.956 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -22.131 -31.171 28.009 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -20.785 -31.193 27.316 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -15.354 -30.171 35.666 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -15.510 -29.493 35.009 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -14.422 -30.099 35.869 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -20.951 -31.073 24.889 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -21.595 -31.704 25.211 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -20.189 -31.604 24.657 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -13.323 -35.907 28.969 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -12.473 -35.486 29.097 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -13.318 -36.647 29.577 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.683 -32.191 38.048 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.331 -31.866 38.673 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.201 -32.631 37.373 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -15.900 -29.431 31.467 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -15.247 -29.778 30.859 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -15.389 -28.942 32.113 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -18.905 -28.843 40.472 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -18.228 -29.475 40.232 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -18.583 -28.441 41.280 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -18.654 -29.905 37.467 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -19.558 -29.740 37.201 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -18.225 -29.052 37.401 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -16.049 -28.335 37.762 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -16.231 -27.419 37.551 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -15.873 -28.745 36.915 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -20.629 -29.214 26.795 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -19.763 -28.848 26.617 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -20.876 -29.654 25.982 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -14.702 -30.900 41.625 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.484 -31.086 41.105 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.774 -29.971 41.842 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -13.266 -32.282 44.790 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -13.193 -31.343 44.960 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -12.361 -32.587 44.733 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -12.576 -29.568 45.361 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -11.833 -28.982 45.221 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -13.271 -29.000 45.694 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -16.347 -31.256 43.979 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -16.064 -32.050 44.432 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -15.607 -31.023 43.418 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -16.513 -15.964 -4.336 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.954 -16.684 -3.886 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -16.526 -15.243 -3.706 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.167 -24.869 -1.371 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -13.118 -24.259 -0.635 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.741 -24.408 -2.094 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -16.001 -14.124 -1.988 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -16.943 -14.066 -1.827 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -15.725 -13.218 -2.125 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -15.701 -25.838 -0.571 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -16.437 -25.227 -0.609 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -15.017 -25.423 -1.097 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -14.904 -15.876 1.623 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -14.764 -16.467 0.884 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -14.736 -15.003 1.267 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -13.062 -19.536 -0.311 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -13.714 -18.841 -0.222 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -12.597 -19.326 -1.121 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -17.128 -20.530 1.415 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -17.048 -19.767 1.987 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.729 -20.251 0.724 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -20.766 -27.126 1.047 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.346 -27.541 1.800 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -21.699 -27.304 1.164 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -17.440 -23.370 1.901 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -17.954 -23.496 2.698 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -17.595 -22.458 1.656 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.067 -9.327 4.307 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -14.867 -8.903 3.472 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -14.411 -8.984 4.914 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.119 -17.712 -0.462 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.477 -17.255 -1.005 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -15.949 -17.599 -0.924 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -18.499 -14.199 1.939 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -19.400 -14.016 1.671 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -18.465 -13.940 2.860 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -16.624 -11.569 1.987 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -17.226 -12.124 1.492 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -16.343 -10.902 1.361 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -12.576 -10.712 -11.207 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -11.833 -10.126 -11.347 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.271 -10.144 -10.874 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -19.767 -24.595 0.284 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -19.069 -24.521 0.934 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.148 -25.459 0.439 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.354 -11.315 -2.046 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -15.510 -10.637 -2.703 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.422 -11.243 -1.843 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -18.466 -13.345 4.531 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -18.817 -14.201 4.774 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -17.740 -13.202 5.138 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -17.343 -16.948 1.952 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -16.598 -16.360 1.832 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -18.100 -16.366 2.015 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -19.934 -18.154 5.208 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -18.981 -18.070 5.180 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -20.094 -18.865 5.827 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -18.204 -21.646 5.773 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -18.012 -22.577 5.662 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -17.347 -21.221 5.763 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -16.888 -18.857 3.851 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -17.169 -18.148 3.273 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.945 -18.930 3.700 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -19.416 -23.995 3.576 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -20.364 -23.963 3.708 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -19.104 -24.620 4.230 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -22.821 -26.467 5.662 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -22.952 -26.943 4.841 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -23.420 -25.723 5.606 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -12.638 -10.665 -1.817 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -12.660 -10.480 -0.878 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -11.948 -10.096 -2.158 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.075 -11.098 1.105 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -13.562 -11.833 0.734 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -12.526 -11.491 1.783 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -13.323 -17.051 -8.743 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -12.473 -16.630 -8.615 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -13.318 -17.791 -8.135 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -12.929 -18.998 -6.919 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -13.655 -19.477 -6.521 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -12.348 -18.792 -6.187 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -13.170 -16.213 -1.971 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -12.336 -16.591 -2.252 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -13.058 -15.270 -2.090 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.683 -13.335 0.336 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -15.331 -13.010 0.961 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -15.201 -13.775 -0.339 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.286 -18.507 3.283 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -13.703 -19.241 3.474 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -13.722 -17.735 3.329 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -14.820 -22.313 -2.458 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.887 -22.101 -2.492 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -15.055 -22.211 -1.535 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -14.791 -21.576 0.318 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -15.634 -21.308 0.684 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -14.348 -20.754 0.107 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -15.900 -10.575 -6.245 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -15.247 -10.922 -6.853 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -15.389 -10.086 -5.599 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -13.920 -10.795 -8.237 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -14.114 -11.543 -8.802 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -13.959 -10.037 -8.821 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -14.702 -12.044 3.913 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -15.484 -12.230 3.393 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -14.774 -11.115 4.130 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.152 -18.158 12.799 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -19.063 -17.214 12.667 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -19.791 -18.433 12.141 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -20.219 -18.903 16.218 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -20.257 -19.549 16.923 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -20.542 -19.369 15.447 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -16.513 -15.964 14.520 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -16.954 -16.684 14.970 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -16.526 -15.243 15.150 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -19.402 -10.859 14.732 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.782 -11.536 14.459 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -19.610 -11.077 15.640 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -18.689 -22.076 16.952 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -18.546 -23.023 16.972 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -18.795 -21.869 16.023 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -25.534 -23.975 14.224 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -25.491 -23.115 13.806 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -25.992 -24.527 13.591 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -23.758 -20.028 14.202 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -23.142 -20.554 14.711 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -24.344 -20.668 13.798 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.355 -15.557 11.842 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.651 -15.879 10.991 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -19.679 -14.657 11.884 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -16.001 -14.124 16.868 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -16.943 -14.066 17.029 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -15.725 -13.218 16.731 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -17.749 -12.343 13.493 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -17.324 -13.050 13.008 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -17.432 -11.542 13.076 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -20.431 -18.914 10.251 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -21.143 -18.379 9.900 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -19.740 -18.858 9.591 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -20.377 -20.456 7.290 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -19.676 -20.434 7.941 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.075 -21.084 6.634 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -18.704 -13.802 17.453 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -18.945 -13.140 18.101 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -18.902 -14.636 17.878 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -18.154 -19.542 8.888 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.575 -19.392 9.635 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -17.740 -19.071 8.165 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -20.428 -12.805 12.323 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.954 -12.510 13.101 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.991 -12.067 12.090 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.854 -10.695 7.741 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.479 -11.439 7.270 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -17.850 -10.965 8.659 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -18.185 -10.769 10.490 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -19.120 -10.669 10.669 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -17.905 -11.478 11.068 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -25.429 -26.848 16.529 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -26.290 -26.935 16.121 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -25.451 -25.992 16.956 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -20.766 -27.126 19.903 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -20.346 -27.541 20.656 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -21.699 -27.304 20.020 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.677 -18.509 6.518 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.635 -18.732 5.588 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -15.828 -18.111 6.708 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -21.104 -24.633 7.188 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -21.358 -24.614 8.111 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -21.361 -25.505 6.887 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -25.341 -21.661 12.536 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -26.234 -22.002 12.477 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -24.890 -22.038 11.780 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -20.703 -21.070 22.841 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -21.266 -21.774 23.161 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -19.877 -21.190 23.308 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -24.222 -24.188 6.289 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -24.653 -24.633 7.019 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -24.940 -23.816 5.777 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -19.537 -20.161 18.838 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -19.213 -20.792 18.195 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -19.977 -20.696 19.499 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -24.278 -22.605 10.105 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -23.346 -22.476 10.283 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -24.493 -21.935 9.456 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -15.067 -9.327 23.163 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -14.867 -8.903 22.328 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -14.411 -8.984 23.770 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -21.439 -21.446 15.509 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -20.875 -21.993 14.962 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -21.587 -21.968 16.298 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -26.437 -25.310 11.927 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -26.754 -26.212 11.892 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -25.656 -25.308 11.375 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -22.813 -23.058 17.923 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -23.648 -22.604 18.033 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -22.289 -22.782 18.675 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -22.269 -16.845 9.608 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -23.013 -17.352 9.285 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -22.403 -16.796 10.554 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -20.143 -15.386 8.633 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -20.438 -14.560 9.015 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -20.846 -16.006 8.829 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -18.499 -14.199 20.795 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -19.400 -14.016 20.527 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.465 -13.940 21.716 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -17.312 -18.360 16.649 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -18.240 -18.592 16.622 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.861 -19.137 16.319 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -19.283 -16.121 18.374 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.709 -16.348 19.200 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -18.702 -16.859 18.191 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -16.624 -11.569 20.843 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -17.226 -12.124 20.348 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -16.343 -10.902 20.217 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -12.576 -10.712 7.649 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -11.833 -10.126 7.509 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -13.271 -10.144 7.982 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -21.314 -12.812 9.100 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -22.131 -12.315 9.153 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -20.785 -12.337 8.460 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -21.247 -22.229 20.257 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -21.128 -21.655 21.014 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -20.592 -22.917 20.372 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -25.242 -25.071 8.698 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -25.325 -24.182 9.044 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -24.352 -25.336 8.929 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -15.354 -11.315 16.810 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -15.510 -10.637 16.153 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -14.422 -11.243 17.013 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -18.466 -13.345 23.387 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -18.817 -14.201 23.630 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -17.740 -13.202 23.994 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.347 -12.400 6.267 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.064 -13.194 6.720 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.607 -12.167 5.706 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -20.040 -15.443 5.860 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -20.308 -15.263 6.761 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.246 -16.369 5.729 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.343 -16.948 20.808 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -16.598 -16.360 20.688 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -18.100 -16.366 20.871 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -19.934 -18.154 24.064 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.981 -18.070 24.036 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -20.094 -18.865 24.683 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -24.202 -24.900 19.361 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -23.666 -24.449 18.709 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -25.054 -25.008 18.939 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -18.204 -21.646 24.629 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -18.012 -22.577 24.518 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -17.347 -21.221 24.619 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -16.888 -18.857 22.707 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.169 -18.148 22.129 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -15.945 -18.930 22.556 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -23.396 -27.444 19.793 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -23.494 -26.497 19.687 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -24.139 -27.816 19.317 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -22.132 -23.122 23.356 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -22.368 -23.342 24.258 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -22.915 -23.329 22.847 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -23.174 -28.150 22.464 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -22.462 -28.790 22.450 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -23.275 -27.883 21.550 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -22.821 -26.467 24.518 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -22.952 -26.943 23.697 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -23.420 -25.723 24.462 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -18.905 -9.987 21.616 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -18.228 -10.619 21.376 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -18.583 -9.585 22.424 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.654 -11.049 18.611 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -19.558 -10.884 18.345 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -18.225 -10.196 18.545 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.049 -9.479 18.906 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -16.231 -8.563 18.695 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -15.873 -9.889 18.059 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -14.702 -12.044 22.769 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -15.484 -12.230 22.249 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -14.774 -11.115 22.986 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -19.152 -18.158 31.655 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -19.063 -17.214 31.523 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.791 -18.433 30.997 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -16.513 -15.964 33.376 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -16.954 -16.684 33.826 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -16.526 -15.243 34.006 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -17.812 -23.844 31.481 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -17.166 -24.173 32.106 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -17.302 -23.326 30.858 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.355 -15.557 30.698 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.651 -15.879 29.847 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.679 -14.657 30.740 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -16.048 -24.553 33.462 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -16.263 -25.319 33.994 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -15.392 -24.081 33.975 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -15.701 -25.838 37.141 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -16.437 -25.227 37.103 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -15.017 -25.423 36.615 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.590 -14.442 30.858 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -16.847 -15.132 30.246 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.519 -14.885 31.703 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -20.431 -18.914 29.107 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -21.143 -18.379 28.756 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -19.740 -18.858 28.447 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -20.377 -20.456 26.146 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -19.676 -20.434 26.797 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -20.075 -21.084 25.490 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.062 -19.536 37.401 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -13.714 -18.841 37.490 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -12.597 -19.326 36.591 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -17.025 -18.704 30.059 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -17.757 -18.476 30.632 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.578 -19.418 30.514 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -18.154 -19.542 27.744 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -17.575 -19.392 28.491 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -17.740 -19.071 27.021 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -13.266 -13.426 25.934 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -13.193 -12.487 26.104 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -12.361 -13.731 25.877 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.197 -21.702 41.392 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.604 -21.221 40.672 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -15.156 -22.607 41.085 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -17.440 -23.370 39.613 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -17.954 -23.496 40.410 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.595 -22.458 39.368 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -21.104 -24.633 26.044 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -21.358 -24.614 26.967 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -21.361 -25.505 25.743 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -19.805 -21.245 30.209 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -20.214 -20.430 29.917 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -19.085 -21.385 29.594 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -18.801 -21.799 33.023 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -18.996 -21.194 32.308 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -18.619 -22.633 32.588 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -18.354 -24.999 35.742 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -19.031 -24.868 36.406 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -18.840 -25.154 34.932 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -17.653 -22.164 28.324 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.761 -22.301 28.643 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -17.596 -21.373 27.787 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -20.143 -15.386 27.489 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -20.438 -14.560 27.871 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -20.846 -16.006 27.685 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.472 -13.168 28.483 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -14.845 -13.994 28.793 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.195 -13.351 27.586 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.080 -15.192 26.304 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -16.727 -15.572 27.108 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -18.029 -15.285 26.390 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -12.576 -10.712 26.505 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -11.833 -10.126 26.365 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -13.271 -10.144 26.838 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -16.214 -16.519 28.530 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -16.491 -17.247 29.086 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -15.287 -16.400 28.736 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -18.983 -24.943 29.093 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -18.763 -24.471 28.290 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -18.425 -24.548 29.764 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -20.899 -26.134 30.866 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -21.246 -25.516 31.511 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -20.241 -25.633 30.385 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.043 -24.322 39.948 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -15.959 -24.059 39.860 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.707 -24.325 39.051 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -16.441 -20.571 34.044 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -17.238 -20.986 33.715 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -15.996 -21.262 34.535 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.347 -12.400 25.123 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.064 -13.194 25.576 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -15.607 -12.167 24.562 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -20.040 -15.443 24.716 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -20.308 -15.263 25.617 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -20.246 -16.369 24.585 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.782 -25.361 43.293 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.879 -26.313 43.287 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -18.104 -25.092 44.154 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -13.170 -16.213 35.741 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.336 -16.591 35.460 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -13.058 -15.270 35.622 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -12.789 -20.604 41.679 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -13.652 -20.983 41.514 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -12.185 -21.343 41.605 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.432 -22.894 29.818 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -15.152 -23.801 29.943 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -14.673 -22.460 29.429 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -14.820 -22.313 35.254 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.887 -22.101 35.220 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -15.055 -22.211 36.177 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -14.791 -21.576 38.030 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.634 -21.308 38.396 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -14.348 -20.754 37.819 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -15.415 -27.841 33.987 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.811 -27.293 33.486 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -16.284 -27.521 33.747 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -18.094 -27.357 33.159 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -18.018 -27.262 32.210 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.370 -28.265 33.288 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -22.507 -25.307 28.400 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -22.329 -25.953 29.083 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -22.561 -24.473 28.867 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -17.878 -28.117 42.932 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -17.802 -28.543 43.786 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -16.985 -28.103 42.590 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -14.456 -27.792 46.413 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -15.355 -27.653 46.708 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -14.204 -26.961 46.011 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -14.312 -21.857 44.591 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -14.215 -21.190 43.911 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -14.452 -22.673 44.109 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -15.064 -24.449 43.708 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.454 -24.821 44.345 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -15.901 -24.871 43.904 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -12.952 -25.564 45.251 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -12.539 -26.285 44.775 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -12.270 -24.894 45.309 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -14.904 2.980 -17.233 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -14.764 2.389 -17.972 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -14.736 3.853 -17.589 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -13.062 -0.680 -19.167 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -13.714 0.015 -19.078 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -12.597 -0.470 -19.977 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -12.349 5.661 -15.656 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -12.398 4.706 -15.693 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -13.175 5.929 -15.254 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -12.804 2.702 -15.713 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.656 2.940 -16.080 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -12.214 2.685 -16.466 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -13.075 7.758 -17.751 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -13.562 7.023 -18.122 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -12.526 7.365 -17.073 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -13.170 2.643 -20.827 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -12.336 2.265 -21.108 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -13.058 3.586 -20.946 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -14.286 0.349 -15.573 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.703 -0.385 -15.382 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -13.722 1.121 -15.527 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -12.789 -1.748 -14.889 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -13.652 -2.127 -15.054 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -12.185 -2.487 -14.963 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -12.508 -8.740 -13.184 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -12.158 -9.394 -13.790 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -12.361 -7.903 -13.624 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -12.988 -6.631 -14.835 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -13.905 -6.360 -14.871 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -12.865 -7.166 -15.619 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.167 -6.013 -1.371 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -13.118 -5.403 -0.635 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -12.741 -5.552 -2.094 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -12.775 -4.535 0.865 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -13.464 -3.877 0.770 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -12.760 -4.732 1.802 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -16.048 -5.697 -4.250 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -16.263 -6.463 -3.718 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -15.392 -5.225 -3.737 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -15.701 -6.982 -0.571 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -16.437 -6.371 -0.609 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -15.017 -6.567 -1.097 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -14.456 -8.936 -10.155 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -15.355 -8.797 -9.860 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -14.204 -8.105 -10.557 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.768 -3.098 -9.694 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.322 -3.494 -10.366 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.667 -2.188 -9.971 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -12.661 -0.241 -10.528 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -13.182 0.116 -11.247 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -12.694 0.434 -9.850 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -14.312 -3.001 -11.977 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -14.215 -2.334 -12.657 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -14.452 -3.817 -12.459 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -15.064 -5.593 -12.860 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -14.454 -5.965 -12.223 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -15.901 -6.015 -12.664 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -14.820 -3.457 -2.458 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -13.887 -3.245 -2.492 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.055 -3.355 -1.535 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -12.508 -8.740 5.672 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -12.158 -9.394 5.066 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -12.361 -7.903 5.232 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -14.818 -6.775 -7.845 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.636 -7.224 -7.020 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -15.418 -7.360 -8.309 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -12.952 -6.708 -11.317 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -12.539 -7.429 -11.793 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -12.270 -6.038 -11.259 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -13.987 -8.541 1.840 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.800 -8.216 1.452 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -13.754 -9.301 1.307 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -15.415 -8.985 -3.725 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -14.811 -8.437 -4.226 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -16.284 -8.665 -3.965 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -13.688 -7.846 -5.391 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -13.076 -8.360 -5.918 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -13.305 -6.968 -5.368 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -13.167 -6.013 17.485 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -13.118 -5.403 18.221 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -12.741 -5.552 16.762 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -12.775 -4.535 19.721 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -13.464 -3.877 19.626 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -12.760 -4.732 20.658 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.048 -5.697 14.606 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.263 -6.463 15.138 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.392 -5.225 15.119 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -15.701 -6.982 18.285 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -16.437 -6.371 18.247 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -15.017 -6.567 17.759 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -14.456 -8.936 8.701 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -15.355 -8.797 8.996 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -14.204 -8.105 8.299 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -15.043 -5.466 21.092 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -15.959 -5.203 21.004 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -14.707 -5.469 20.195 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -12.508 -8.740 24.528 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -12.158 -9.394 23.922 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.361 -7.903 24.088 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -14.818 -6.775 11.011 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -14.636 -7.224 11.836 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -15.418 -7.360 10.547 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -12.988 -6.631 22.877 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -13.905 -6.360 22.841 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -12.865 -7.166 22.093 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -12.952 -6.708 7.539 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -12.539 -7.429 7.063 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -12.270 -6.038 7.597 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.415 -8.985 15.131 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.811 -8.437 14.630 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -16.284 -8.665 14.891 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -13.688 -7.846 13.465 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -13.076 -8.360 12.938 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -13.305 -6.968 13.488 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -18.094 -8.501 14.303 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -18.018 -8.406 13.354 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -18.370 -9.409 14.432 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -16.741 -8.475 9.996 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -17.444 -7.861 9.786 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -17.186 -9.313 10.127 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -17.878 -9.261 24.076 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -17.802 -9.687 24.930 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -16.985 -9.247 23.734 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -8.995 -38.144 -1.045 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -8.953 -38.770 -0.321 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -8.292 -37.521 -0.863 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -8.071 -33.694 -2.510 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -8.441 -34.496 -2.879 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -7.130 -33.863 -2.463 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -5.299 -36.237 -0.270 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -6.039 -35.639 -0.167 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -4.585 -35.683 -0.586 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -6.891 -34.273 0.517 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -6.897 -33.394 0.139 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -7.745 -34.356 0.942 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -5.277 -33.762 2.580 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -5.589 -32.980 3.036 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -5.927 -33.915 1.894 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -8.357 -37.564 1.809 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -8.287 -36.913 2.507 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -9.248 -37.461 1.474 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -11.441 -35.497 0.634 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -11.942 -35.525 -0.181 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -11.435 -36.403 0.944 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -11.690 -32.717 -2.482 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -10.744 -32.861 -2.501 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -11.803 -31.933 -1.945 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 6.507 -32.051 3.200 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 6.458 -33.006 3.163 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 5.681 -31.783 3.602 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -2.514 -32.477 2.076 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -2.427 -31.651 2.551 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -3.378 -32.807 2.325 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -8.732 -40.418 0.635 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -8.770 -40.018 1.503 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -9.223 -41.235 0.725 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -11.280 -37.945 1.836 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -11.057 -38.363 2.668 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -11.882 -38.558 1.414 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -4.263 -38.428 4.049 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -4.559 -38.594 3.154 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -3.332 -38.648 4.039 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 0.357 -33.055 1.939 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -0.544 -32.872 1.671 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 0.391 -32.796 2.860 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 2.232 -30.425 1.987 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 1.630 -30.980 1.492 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 2.513 -29.758 1.361 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -9.646 -43.192 1.394 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -10.539 -42.853 1.327 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -9.745 -44.047 1.812 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -9.995 -31.387 -0.171 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -9.778 -32.319 -0.202 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -9.748 -31.113 0.713 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -6.187 -30.581 5.802 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -5.419 -31.040 6.143 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -6.208 -30.807 4.872 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 0.390 -32.201 4.531 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 0.039 -33.057 4.774 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 1.116 -32.058 5.138 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -4.222 -35.720 4.569 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -4.550 -35.449 3.711 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -4.070 -36.661 4.481 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -6.098 -39.481 1.930 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -6.716 -38.806 2.211 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -5.754 -39.160 1.097 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -5.758 -42.126 3.013 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -5.608 -42.855 2.410 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -5.756 -41.349 2.454 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -7.280 -40.928 4.924 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -8.047 -41.460 4.714 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -6.601 -41.238 4.325 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -9.099 -43.007 4.629 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -8.888 -43.714 4.018 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -9.211 -43.445 5.473 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 5.781 -29.954 1.105 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 5.294 -30.689 0.734 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 6.330 -30.347 1.783 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 4.232 -34.164 5.743 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 3.366 -34.269 6.137 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 4.608 -33.405 6.190 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -11.653 -41.984 3.795 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -10.734 -42.106 4.031 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -12.103 -42.734 4.184 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -6.705 -31.527 0.557 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -7.130 -30.718 0.274 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -5.800 -31.442 0.255 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -2.394 -30.128 3.516 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -2.209 -30.462 4.394 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -1.547 -29.819 3.194 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -0.049 -28.843 2.760 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 0.628 -29.475 2.520 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 0.273 -28.441 3.568 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -9.303 -28.271 0.604 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -10.023 -27.831 0.153 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -9.669 -28.522 1.453 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -6.836 -28.671 -0.366 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -7.701 -28.599 0.038 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -6.891 -28.124 -1.150 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 0.202 -29.905 -0.245 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -0.702 -29.740 -0.511 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 0.631 -29.052 -0.311 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 2.807 -28.335 0.050 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 2.625 -27.419 -0.161 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 2.983 -28.745 -0.797 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -9.888 -29.648 -2.485 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -9.907 -30.073 -1.628 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -9.083 -29.966 -2.894 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 4.154 -30.900 3.913 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 3.372 -31.086 3.393 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 4.082 -29.971 4.130 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -0.296 -37.014 12.799 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -0.207 -36.070 12.667 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -0.935 -37.289 12.141 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -1.363 -37.759 16.218 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -1.401 -38.405 16.923 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -1.686 -38.225 15.447 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -8.995 -38.144 17.811 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -8.953 -38.770 18.535 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -8.292 -37.521 17.993 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -8.071 -33.694 16.346 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -8.441 -34.496 15.977 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -7.130 -33.863 16.393 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -10.058 -40.434 14.986 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.404 -40.984 15.418 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -10.034 -40.708 14.070 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -4.902 -38.884 14.202 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -4.286 -39.410 14.711 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -5.488 -39.524 13.798 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 3.952 -34.732 20.479 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 4.092 -35.323 19.740 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 4.120 -33.859 20.123 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -1.575 -37.770 10.251 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -2.287 -37.235 9.900 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -0.884 -37.714 9.591 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 1.831 -37.560 11.203 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 1.099 -37.332 11.776 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 2.278 -38.274 11.658 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 1.728 -39.386 20.271 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 1.808 -38.623 20.843 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 1.127 -39.107 19.580 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -6.524 -36.930 13.086 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -6.854 -37.300 12.267 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -5.936 -37.600 13.432 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -6.157 -38.161 16.719 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -5.592 -38.040 15.956 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -5.838 -37.524 17.358 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -8.357 -37.564 20.665 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -8.287 -36.913 21.363 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -9.248 -37.461 20.330 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -7.534 -37.860 10.675 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -7.826 -37.092 10.184 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -8.208 -38.520 10.512 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 5.590 -32.282 7.078 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 5.663 -31.343 7.248 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 6.495 -32.587 7.021 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -11.441 -35.497 19.490 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -11.942 -35.525 18.675 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -11.435 -36.403 19.800 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 6.507 -32.051 22.056 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 6.458 -33.006 22.019 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 5.681 -31.783 22.458 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -6.485 -40.517 12.536 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -7.378 -40.858 12.477 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -6.034 -40.894 11.780 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -1.847 -39.926 22.841 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -2.410 -40.630 23.161 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -1.021 -40.046 23.308 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -5.366 -43.044 6.289 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -5.797 -43.489 7.019 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -6.084 -42.672 5.777 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -12.124 -43.302 13.341 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -11.493 -43.331 14.061 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -11.674 -43.727 12.611 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -10.849 -42.556 8.765 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -10.375 -41.965 8.180 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.567 -42.025 9.112 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -0.681 -39.017 18.838 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -0.357 -39.648 18.195 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -1.121 -39.552 19.499 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -9.075 -41.461 12.449 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -9.964 -41.361 12.109 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -8.779 -42.303 12.103 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -5.422 -41.461 10.105 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -4.490 -41.332 10.283 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -5.637 -40.791 9.456 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -6.748 -40.266 7.672 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -7.290 -40.646 6.981 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -5.914 -40.072 7.243 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -8.613 -35.709 22.771 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -7.880 -35.455 23.332 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -9.393 -35.505 23.286 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -3.413 -35.701 9.608 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -4.157 -36.208 9.285 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -3.547 -35.652 10.554 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 3.737 -36.568 18.394 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 4.379 -36.111 17.851 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 2.907 -36.455 17.932 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -8.288 -36.406 15.377 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -7.543 -36.408 14.776 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -8.210 -37.230 15.859 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -1.287 -34.242 8.633 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -1.582 -33.416 9.015 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -1.990 -34.862 8.829 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -11.280 -37.945 20.692 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.057 -38.363 21.524 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -11.882 -38.558 20.270 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -4.263 -38.428 22.905 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -4.559 -38.594 22.010 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -3.332 -38.648 22.895 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 6.052 -35.010 21.999 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 5.200 -34.772 21.632 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 6.642 -35.027 21.246 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 4.384 -32.024 9.627 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 4.011 -32.850 9.937 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 4.661 -32.207 8.730 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 1.544 -37.216 16.649 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 0.616 -37.448 16.622 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 1.995 -37.993 16.319 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -5.913 -32.888 12.782 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -5.386 -32.115 12.581 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -6.793 -32.663 12.480 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -4.486 -35.225 12.358 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -4.727 -34.300 12.400 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.226 -35.684 12.754 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 1.776 -34.048 7.448 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 2.129 -34.428 8.252 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 0.827 -34.141 7.534 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 2.642 -35.375 9.674 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 2.365 -36.103 10.230 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 3.569 -35.256 9.880 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -4.133 -32.936 5.895 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -3.894 -33.684 5.347 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -4.402 -33.324 6.727 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -2.391 -41.085 20.257 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -2.272 -40.511 21.014 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -1.736 -41.773 20.372 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -9.811 -40.835 6.874 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -9.856 -39.896 7.053 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -10.699 -41.071 6.604 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -2.095 -31.073 6.033 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -2.739 -31.704 6.355 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -1.333 -31.604 5.801 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -10.877 -35.690 23.992 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -10.733 -36.592 23.706 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -11.650 -35.404 23.504 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -1.184 -34.299 5.860 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -1.452 -34.119 6.761 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -1.390 -35.225 5.729 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -10.045 -38.490 23.412 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -9.637 -39.347 23.291 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -10.305 -38.475 24.333 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -5.387 -37.374 8.430 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -5.846 -37.858 9.116 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -5.132 -38.042 7.794 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -6.098 -39.481 20.786 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -6.716 -38.806 21.067 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -5.754 -39.160 19.953 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -4.316 -39.131 6.693 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -4.496 -39.285 5.765 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -3.365 -39.023 6.737 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -3.764 -38.317 19.601 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -3.013 -38.473 19.028 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -4.103 -37.465 19.325 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 0.652 -40.502 24.629 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 0.844 -41.433 24.518 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 1.509 -40.077 24.619 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 1.968 -37.713 22.707 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 1.687 -37.004 22.129 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 2.911 -37.786 22.556 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 4.232 -34.164 24.599 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 3.366 -34.269 24.993 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 4.608 -33.405 25.046 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 5.533 -35.907 10.113 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 6.383 -35.486 10.241 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 5.538 -36.647 10.721 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 5.686 -35.069 16.885 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 6.520 -35.447 16.604 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 5.798 -34.126 16.766 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -11.251 -37.255 16.510 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -11.067 -37.337 15.575 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -10.402 -37.379 16.934 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 4.570 -37.363 22.139 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 5.153 -38.097 22.330 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 5.134 -36.591 22.185 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -12.128 -40.673 16.611 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -11.636 -40.894 15.821 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -11.766 -39.832 16.892 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -11.815 -44.415 10.666 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -12.740 -44.206 10.536 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -11.361 -43.931 9.976 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 4.154 -30.900 22.769 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 3.372 -31.086 22.249 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 4.082 -29.971 22.986 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -0.296 -37.014 31.655 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -0.207 -36.070 31.523 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -0.935 -37.289 30.997 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 2.343 -34.820 33.376 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 1.902 -35.540 33.826 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 2.330 -34.099 34.006 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -8.071 -33.694 35.202 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -8.441 -34.496 34.833 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -7.130 -33.863 35.249 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -0.499 -34.413 30.698 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -0.795 -34.735 29.847 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -0.823 -33.513 30.740 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -6.891 -34.273 38.229 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -6.897 -33.394 37.851 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.745 -34.356 38.654 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -10.770 -34.602 29.011 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -11.042 -34.373 28.122 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -10.725 -33.764 29.471 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 2.855 -32.980 35.724 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 1.913 -32.922 35.885 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 3.131 -32.074 35.587 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 2.266 -33.298 30.858 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 2.009 -33.988 30.246 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 2.337 -33.741 31.703 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -1.575 -37.770 29.107 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -2.287 -37.235 28.756 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -0.884 -37.714 28.447 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -1.521 -39.312 26.146 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -0.820 -39.290 26.797 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -1.219 -39.940 25.490 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -6.524 -36.930 31.942 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -6.854 -37.300 31.123 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -5.936 -37.600 32.288 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -5.157 -33.502 34.623 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -5.252 -34.080 33.866 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -4.428 -33.873 35.119 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 0.152 -32.658 36.309 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -0.089 -31.996 36.957 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -0.046 -33.492 36.734 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -5.277 -33.762 40.292 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -5.589 -32.980 40.748 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -5.927 -33.915 39.606 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 0.702 -38.398 27.744 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 1.281 -38.248 28.491 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 1.116 -37.927 27.021 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -7.038 -31.690 41.056 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -7.030 -31.826 40.108 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -7.954 -31.808 41.308 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -7.534 -37.860 29.531 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -7.826 -37.092 29.040 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -8.208 -38.520 29.368 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 5.590 -32.282 25.934 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 5.663 -31.343 26.104 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 6.495 -32.587 25.877 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -11.690 -32.717 35.230 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -10.744 -32.861 35.211 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -11.803 -31.933 35.767 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -2.514 -32.477 39.788 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -2.427 -31.651 40.263 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -3.378 -32.807 40.037 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -9.192 -34.174 39.389 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -8.975 -34.535 40.249 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -10.047 -34.548 39.179 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 2.179 -37.365 25.374 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 2.221 -37.588 24.444 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 3.028 -36.967 25.564 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -3.413 -35.701 28.464 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -4.157 -36.208 28.141 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -3.547 -35.652 29.410 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -8.288 -36.406 34.233 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -7.543 -36.408 33.632 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -8.210 -37.230 34.715 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -1.287 -34.242 27.489 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -1.582 -33.416 27.871 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -1.990 -34.862 27.685 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 4.384 -32.024 28.483 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 4.011 -32.850 28.793 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 4.661 -32.207 27.586 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -10.158 -38.026 26.225 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -9.542 -37.399 26.604 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -11.020 -37.710 26.496 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -4.486 -35.225 31.214 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -4.727 -34.300 31.256 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -5.226 -35.684 31.610 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -3.971 -31.076 37.529 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -3.608 -30.221 37.296 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -3.439 -31.368 38.270 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 1.776 -34.048 26.304 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 2.129 -34.428 27.108 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 0.827 -34.141 26.390 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 2.642 -35.375 28.530 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 2.365 -36.103 29.086 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 3.569 -35.256 28.736 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -9.995 -31.387 37.541 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -9.778 -32.319 37.510 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -9.748 -31.113 38.425 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -8.743 -36.113 27.717 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -9.429 -35.761 28.284 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -8.220 -35.350 27.471 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 3.502 -30.171 35.666 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 3.346 -29.493 35.009 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 4.434 -30.099 35.869 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -6.187 -30.581 43.514 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -5.419 -31.040 43.855 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -6.208 -30.807 42.584 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -6.536 -35.346 24.980 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -6.472 -36.140 25.511 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -5.883 -35.465 24.291 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -5.387 -37.374 27.286 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -5.846 -37.858 27.972 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -5.132 -38.042 26.650 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -4.316 -39.131 25.549 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -4.496 -39.285 24.621 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -3.365 -39.023 25.593 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 5.074 -36.776 24.994 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 4.801 -37.201 24.181 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 5.114 -35.845 24.777 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -10.850 -33.804 26.033 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -9.936 -33.725 26.306 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -10.843 -34.491 25.366 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 6.218 -29.521 35.895 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 6.196 -29.336 36.834 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 6.908 -28.952 35.554 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -9.659 -32.502 42.010 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -10.480 -32.327 41.550 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -9.911 -32.575 42.931 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -6.705 -31.527 38.269 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -7.130 -30.718 37.986 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -5.800 -31.442 37.967 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -2.394 -30.128 41.228 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -2.209 -30.462 42.106 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -1.547 -29.819 40.906 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -0.049 -28.843 40.472 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 0.628 -29.475 40.232 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 0.273 -28.441 41.280 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -2.125 -28.783 36.522 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -2.582 -28.254 35.868 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -1.962 -28.180 37.247 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 0.202 -29.905 37.467 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -0.702 -29.740 37.201 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 0.631 -29.052 37.401 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 2.807 -28.335 37.762 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 2.625 -27.419 37.551 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 2.983 -28.745 36.915 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 4.936 -29.651 29.475 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 4.742 -30.399 28.910 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 4.897 -28.893 28.891 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -4.418 -28.440 45.406 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -3.485 -28.282 45.550 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -4.682 -27.765 44.781 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -10.637 -30.424 47.254 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -11.322 -30.462 46.586 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -10.634 -29.511 47.542 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -8.819 -29.504 44.279 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -9.087 -29.217 45.152 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -8.048 -30.050 44.431 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -0.546 -10.859 -22.980 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 0.074 -11.536 -23.253 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -0.754 -11.077 -22.072 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.038 -12.834 -15.512 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -7.030 -12.970 -16.460 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.954 -12.952 -15.260 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -2.514 -13.621 -16.780 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -2.427 -12.795 -16.305 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -3.378 -13.951 -16.531 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 3.789 -9.327 -14.549 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 3.989 -8.903 -15.384 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 4.445 -8.984 -13.942 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -3.971 -12.220 -19.039 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -3.608 -11.365 -19.272 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -3.439 -12.512 -18.298 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -10.784 -10.644 -14.674 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -10.244 -10.861 -13.915 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -11.265 -11.450 -14.864 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -6.187 -11.725 -13.054 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -5.419 -12.184 -12.713 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -6.208 -11.951 -13.984 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -6.705 -12.671 -18.299 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -7.130 -11.862 -18.582 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -5.800 -12.586 -18.601 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -2.394 -11.272 -15.340 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -2.209 -11.606 -14.462 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -1.547 -10.963 -15.662 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -0.049 -9.987 -16.096 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 0.628 -10.619 -16.336 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 0.273 -9.585 -15.288 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -9.303 -9.415 -18.252 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -10.023 -8.975 -18.703 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -9.669 -9.666 -17.403 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -6.836 -9.815 -19.222 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -7.701 -9.743 -18.818 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -6.891 -9.268 -20.006 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -2.125 -9.927 -20.046 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -2.582 -9.398 -20.700 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -1.962 -9.324 -19.321 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 0.202 -11.049 -19.101 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -0.702 -10.884 -19.367 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 0.631 -10.196 -19.167 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 2.807 -9.479 -18.806 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 2.625 -8.563 -19.017 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 2.983 -9.889 -19.653 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -5.210 -11.612 -21.838 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -4.997 -12.500 -22.125 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -5.145 -11.646 -20.883 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -0.296 -18.158 -6.057 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -0.207 -17.214 -6.189 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -0.935 -18.433 -6.715 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 2.343 -15.964 -4.336 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 1.902 -16.684 -3.886 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 2.330 -15.243 -3.706 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -11.461 -21.178 -7.117 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -11.909 -20.332 -7.135 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -12.022 -21.758 -7.632 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -10.751 -19.016 -4.991 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -10.537 -19.786 -4.464 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -10.013 -18.927 -5.594 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 5.689 -24.869 -1.371 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 5.738 -24.259 -0.635 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 6.115 -24.408 -2.094 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 0.167 -22.076 -1.904 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 0.310 -23.023 -1.884 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 0.061 -21.869 -2.833 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -6.678 -23.975 -4.632 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -6.635 -23.115 -5.050 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -7.136 -24.527 -5.265 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -10.058 -21.578 -3.870 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -9.404 -22.128 -3.438 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.034 -21.852 -4.786 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 6.081 -23.391 0.865 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 5.392 -22.733 0.770 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 6.096 -23.588 1.802 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -7.868 -25.057 -0.558 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -8.087 -24.527 -1.324 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -8.536 -24.830 0.090 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -0.499 -15.557 -7.014 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -0.795 -15.879 -7.865 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -0.823 -14.657 -6.972 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -8.274 -23.165 -2.605 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -7.661 -22.532 -2.232 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.762 -23.637 -3.262 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -10.770 -15.746 -8.701 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -11.042 -15.517 -9.590 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -10.725 -14.908 -8.241 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 3.155 -25.838 -0.571 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 2.419 -25.227 -0.609 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 3.839 -25.423 -1.097 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 1.107 -12.343 -5.363 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 1.532 -13.050 -5.848 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 1.424 -11.542 -5.780 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 2.266 -14.442 -6.854 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 2.009 -15.132 -7.466 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 2.337 -14.885 -6.009 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 5.794 -19.536 -0.311 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 5.142 -18.841 -0.222 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 6.259 -19.326 -1.121 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -1.572 -12.805 -6.533 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -1.098 -12.510 -5.755 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -2.135 -12.067 -6.766 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -7.534 -19.004 -8.181 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -7.826 -18.236 -8.672 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -8.208 -19.664 -8.344 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -11.441 -16.641 0.634 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -11.942 -16.669 -0.181 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -11.435 -17.547 0.944 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 6.507 -13.195 3.200 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 6.458 -14.150 3.163 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 5.681 -12.927 3.602 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 1.002 -10.695 -11.115 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 1.377 -11.439 -11.586 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 1.006 -10.965 -10.197 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 0.671 -10.769 -8.366 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -0.264 -10.669 -8.187 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 0.951 -11.478 -7.788 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -6.573 -26.848 -2.327 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -7.434 -26.935 -2.735 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.595 -25.992 -1.900 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -1.910 -27.126 1.047 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -1.490 -27.541 1.800 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -2.843 -27.304 1.164 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -6.485 -21.661 -6.320 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -7.378 -22.002 -6.379 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -6.034 -22.038 -7.076 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -0.949 -21.245 -7.503 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -1.358 -20.430 -7.795 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -0.229 -21.385 -8.118 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 0.055 -21.799 -4.689 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -0.140 -21.194 -5.404 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 0.237 -22.633 -5.124 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -3.903 -24.234 -5.234 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -4.814 -24.177 -4.945 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -3.398 -24.294 -4.423 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -9.075 -22.605 -6.407 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -9.964 -22.505 -6.747 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -8.779 -23.447 -6.753 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -5.422 -22.605 -8.751 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -4.490 -22.476 -8.573 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -5.637 -21.935 -9.400 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 0.502 -24.999 -1.970 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -0.175 -24.868 -1.306 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 0.016 -25.154 -2.780 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 3.789 -9.327 4.307 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 3.989 -8.903 3.472 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 4.445 -8.984 4.914 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -2.583 -21.446 -3.347 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -2.019 -21.993 -3.894 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -2.731 -21.968 -2.558 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -3.957 -23.058 -0.933 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -4.792 -22.604 -0.823 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -3.433 -22.782 -0.181 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -3.413 -16.845 -9.248 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -4.157 -17.352 -9.571 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -3.547 -16.796 -8.302 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -4.486 -16.369 -6.498 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -4.727 -15.444 -6.456 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -5.226 -16.828 -6.102 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 6.280 -10.712 -11.207 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 7.023 -10.126 -11.347 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 5.585 -10.144 -10.874 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -5.196 -14.510 -10.505 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -5.049 -15.030 -9.715 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -5.199 -13.603 -10.199 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -8.743 -17.257 -9.995 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -9.429 -16.905 -9.428 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -8.220 -16.494 -10.241 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -0.911 -24.595 0.284 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -0.213 -24.521 0.934 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -1.292 -25.459 0.439 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -2.458 -12.812 -9.756 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -3.275 -12.315 -9.703 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -1.929 -12.337 -10.396 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.120 -11.769 -9.774 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -4.959 -10.969 -10.275 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.317 -11.462 -8.889 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 2.415 -20.571 -3.668 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 1.618 -20.986 -3.997 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 2.860 -21.262 -3.177 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -8.127 -14.643 -11.098 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -7.535 -13.944 -10.822 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -7.668 -15.076 -11.817 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 3.502 -11.315 -2.046 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 3.346 -10.637 -2.703 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 4.434 -11.243 -1.843 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -9.003 -27.197 -3.309 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -9.232 -27.138 -4.236 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -9.446 -27.989 -3.002 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -10.073 -13.257 -7.148 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -10.905 -12.784 -7.121 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -9.527 -12.747 -7.747 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -10.784 -10.644 4.182 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -10.244 -10.861 4.941 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -11.265 -11.450 3.992 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -2.095 -12.217 -12.823 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -2.739 -12.848 -12.501 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -1.333 -12.748 -13.055 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 2.509 -12.400 -12.589 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 2.792 -13.194 -12.136 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 3.249 -12.167 -13.150 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -5.346 -24.900 0.505 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -4.810 -24.449 -0.147 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -6.198 -25.008 0.083 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -4.540 -27.444 0.937 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -4.638 -26.497 0.831 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -5.283 -27.816 0.461 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -12.201 -9.555 -6.602 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -12.848 -10.017 -7.135 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -11.846 -10.227 -6.019 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 6.218 -10.665 -1.817 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 6.196 -10.480 -0.878 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 6.908 -10.096 -2.158 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 5.781 -11.098 1.105 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 5.294 -11.833 0.734 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 6.330 -11.491 1.783 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 5.686 -16.213 -1.971 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 6.520 -16.591 -2.252 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 5.798 -15.270 -2.090 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 4.036 -22.313 -2.458 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 4.969 -22.101 -2.492 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 3.801 -22.211 -1.535 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 4.065 -21.576 0.318 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 3.222 -21.308 0.684 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 4.508 -20.754 0.107 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -10.432 -24.816 -3.314 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -9.987 -25.608 -3.012 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -9.966 -24.100 -2.883 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -12.128 -21.817 -2.245 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -11.636 -22.038 -3.035 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -11.766 -20.976 -1.964 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 2.956 -10.575 -6.245 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 3.609 -10.922 -6.853 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 3.467 -10.086 -5.599 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -11.851 -26.821 0.154 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -12.516 -27.067 0.797 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -12.294 -26.199 -0.423 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 4.869 -27.397 1.840 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 4.056 -27.072 1.452 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 5.102 -28.157 1.307 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 2.807 -9.479 0.050 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 2.625 -8.563 -0.161 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 2.983 -9.889 -0.797 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -10.637 -11.568 -9.314 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -11.322 -11.606 -9.982 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -10.634 -10.655 -9.026 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -1.773 -10.358 -10.917 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -0.907 -9.992 -11.095 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -2.020 -10.798 -11.730 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 4.936 -10.795 -8.237 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 4.742 -11.543 -8.802 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 4.897 -10.037 -8.821 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -8.819 -10.648 -12.289 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -9.087 -10.361 -11.416 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -8.048 -11.194 -12.137 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 4.154 -12.044 3.913 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 3.372 -12.230 3.393 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 4.082 -11.115 4.130 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -7.038 -12.834 22.200 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -7.030 -12.970 21.252 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -7.954 -12.952 22.452 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 5.590 -13.426 7.078 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 5.663 -12.487 7.248 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 6.495 -13.731 7.021 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 6.507 -13.195 22.056 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 6.458 -14.150 22.019 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 5.681 -12.927 22.458 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 6.052 -16.154 21.999 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 5.200 -15.916 21.632 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 6.642 -16.171 21.246 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 6.280 -10.712 7.649 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 7.023 -10.126 7.509 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 5.585 -10.144 7.982 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -6.187 -11.725 24.658 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -5.419 -12.184 24.999 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -6.208 -11.951 23.728 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -4.418 -9.584 7.694 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -3.485 -9.426 7.838 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -4.682 -8.909 7.069 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 6.218 -10.665 17.039 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 6.196 -10.480 17.978 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 6.908 -10.096 16.698 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 5.781 -11.098 19.961 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 5.294 -11.833 19.590 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 6.330 -11.491 20.639 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -1.773 -10.358 7.939 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -0.907 -9.992 7.761 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -2.020 -10.798 7.126 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -8.995 -19.288 36.667 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -8.953 -19.914 37.391 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -8.292 -18.665 36.849 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 2.343 -15.964 33.376 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 1.902 -16.684 33.826 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 2.330 -15.243 34.006 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -8.071 -14.838 35.202 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -8.441 -15.640 34.833 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -7.130 -15.007 35.249 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -0.546 -10.859 33.588 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 0.074 -11.536 33.315 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -0.754 -11.077 34.496 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -2.974 -16.470 35.480 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -2.670 -17.156 34.886 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -2.252 -16.352 36.098 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 5.689 -24.869 36.341 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 5.738 -24.259 37.077 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 6.115 -24.408 35.618 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -5.299 -17.381 37.442 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -6.039 -16.783 37.545 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -4.585 -16.827 37.126 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -6.891 -15.417 38.229 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -6.897 -14.538 37.851 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -7.745 -15.500 38.654 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -10.770 -15.746 29.011 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -11.042 -15.517 28.122 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -10.725 -14.908 29.471 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 2.855 -14.124 35.724 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 1.913 -14.066 35.885 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 3.131 -13.218 35.587 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 3.155 -25.838 37.141 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 2.419 -25.227 37.103 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 3.839 -25.423 36.615 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 1.107 -12.343 32.349 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 1.532 -13.050 31.864 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 1.424 -11.542 31.932 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 2.266 -14.442 30.858 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 2.009 -15.132 30.246 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 2.337 -14.885 31.703 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 1.728 -20.530 39.127 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 1.808 -19.767 39.699 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 1.127 -20.251 38.436 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -5.157 -14.646 34.623 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -5.252 -15.224 33.866 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -4.428 -15.017 35.119 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -6.157 -19.305 35.575 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -5.592 -19.184 34.812 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -5.838 -18.668 36.214 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 0.152 -13.802 36.309 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -0.089 -13.140 36.957 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.046 -14.636 36.734 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -8.357 -18.708 39.521 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -8.287 -18.057 40.219 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -9.248 -18.605 39.186 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -1.572 -12.805 31.179 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.098 -12.510 31.957 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.135 -12.067 30.946 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -11.441 -16.641 38.346 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -11.942 -16.669 37.531 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -11.435 -17.547 38.656 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -11.690 -13.861 35.230 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -10.744 -14.005 35.211 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -11.803 -13.077 35.767 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -2.100 -9.849 29.594 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -2.175 -9.970 28.648 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -2.067 -8.899 29.713 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 0.671 -10.769 29.346 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -0.264 -10.669 29.525 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 0.951 -11.478 29.924 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -1.910 -27.126 38.759 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -1.490 -27.541 39.512 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -2.843 -27.304 38.876 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 1.416 -23.370 39.613 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 0.902 -23.496 40.410 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 1.261 -22.458 39.368 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -6.482 -21.882 36.480 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -7.124 -21.923 37.189 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -6.445 -20.956 36.242 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -1.847 -21.070 41.697 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -2.410 -21.774 42.017 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -1.021 -21.190 42.164 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -8.732 -21.562 38.347 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -8.770 -21.162 39.215 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -9.223 -22.379 38.437 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 0.502 -24.999 35.742 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -0.175 -24.868 36.406 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 0.016 -25.154 34.932 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 3.737 -17.712 37.250 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 4.379 -17.255 36.707 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 2.907 -17.599 36.788 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -1.893 -16.661 39.701 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -2.239 -17.042 40.507 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -2.093 -15.727 39.772 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -11.280 -19.089 39.548 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -11.057 -19.507 40.380 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -11.882 -19.702 39.126 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -4.263 -19.572 41.761 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -4.559 -19.738 40.866 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -3.332 -19.792 41.751 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 4.384 -13.168 28.483 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 4.011 -13.994 28.793 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 4.661 -13.351 27.586 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 1.544 -18.360 35.505 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 0.616 -18.592 35.478 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 1.995 -19.137 35.175 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -5.913 -14.032 31.638 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -5.386 -13.259 31.437 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -6.793 -13.807 31.336 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -4.486 -16.369 31.214 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -4.727 -15.444 31.256 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -5.226 -16.828 31.610 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -5.802 -11.347 30.759 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -6.752 -11.242 30.811 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -5.451 -10.527 31.104 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -0.427 -16.121 37.230 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -0.853 -16.348 38.056 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 0.154 -16.859 37.047 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 6.280 -10.712 26.505 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 7.023 -10.126 26.365 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 5.585 -10.144 26.838 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -0.911 -24.595 37.996 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -0.213 -24.521 38.646 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -1.292 -25.459 38.151 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -2.391 -22.229 39.113 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -2.272 -21.655 39.870 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -1.736 -22.917 39.228 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -5.120 -11.769 27.938 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -4.959 -10.969 27.437 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -5.317 -11.462 28.823 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -8.127 -14.643 26.614 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -7.535 -13.944 26.890 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -7.668 -15.076 25.895 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -10.073 -13.257 30.564 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -10.905 -12.784 30.591 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -9.527 -12.747 29.965 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 1.513 -16.948 39.664 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 2.258 -16.360 39.544 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 0.756 -16.366 39.727 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -10.045 -19.634 42.268 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -9.637 -20.491 42.147 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -10.305 -19.619 43.189 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -6.098 -20.625 39.642 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -6.716 -19.950 39.923 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -5.754 -20.304 38.809 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -5.758 -23.270 40.725 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -5.608 -23.999 40.122 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -5.756 -22.493 40.166 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -3.764 -19.461 38.457 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -3.013 -19.617 37.884 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.103 -18.609 38.181 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -7.280 -22.072 42.636 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -8.047 -22.604 42.426 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -6.601 -22.382 42.037 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -3.276 -23.122 42.212 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -3.512 -23.342 43.114 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -4.059 -23.329 41.703 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -0.560 -23.995 41.288 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -1.508 -23.963 41.420 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -0.248 -24.620 41.942 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -4.318 -28.150 41.320 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 -3.606 -28.790 41.306 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 -4.419 -27.883 40.406 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -3.965 -26.467 43.374 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -4.096 -26.943 42.553 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -4.564 -25.723 43.318 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.850 -14.948 26.033 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -9.936 -14.869 26.306 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -10.843 -15.635 25.366 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 5.686 -16.213 35.741 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 6.520 -16.591 35.460 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 5.798 -15.270 35.622 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -11.251 -18.399 35.366 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -11.067 -18.481 34.431 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -10.402 -18.523 35.790 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 4.036 -22.313 35.254 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 4.969 -22.101 35.220 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 3.801 -22.211 36.177 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 4.065 -21.576 38.030 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 3.222 -21.308 38.396 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 4.508 -20.754 37.819 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -11.653 -23.128 41.507 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -10.734 -23.250 41.743 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -12.103 -23.878 41.896 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -12.128 -21.817 35.467 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -11.636 -22.038 34.677 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -11.766 -20.976 35.748 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 2.956 -10.575 31.467 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 3.609 -10.922 30.859 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 3.467 -10.086 32.113 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 5.168 -26.702 32.321 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 5.780 -27.216 31.794 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 5.551 -25.824 32.344 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 4.936 -10.795 29.475 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 4.742 -11.543 28.910 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 4.897 -10.037 28.891 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -8.819 -10.648 25.423 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -9.087 -10.361 26.296 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -8.048 -11.194 25.575 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -5.366 -24.188 44.001 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -5.797 -24.633 44.731 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -6.084 -23.816 43.489 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -10.849 -23.700 46.477 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -10.375 -23.109 45.892 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -11.567 -23.169 46.824 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -6.386 -25.071 46.410 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -6.469 -24.182 46.756 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -5.496 -25.336 46.641 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -9.811 -21.979 44.586 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -9.856 -21.040 44.765 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -10.699 -22.215 44.316 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -10.538 -27.516 46.356 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -10.099 -26.905 45.765 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -11.172 -26.978 46.830 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -8.677 -25.600 44.799 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -8.186 -26.230 44.271 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -8.054 -25.304 45.462 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -0.296 0.698 -24.913 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -0.207 1.642 -25.045 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -0.935 0.423 -25.571 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -1.363 -0.047 -21.494 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -1.401 -0.693 -20.789 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -1.686 -0.513 -22.265 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.343 2.892 -23.192 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 1.902 2.172 -22.742 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 2.330 3.613 -22.562 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -10.751 -0.160 -23.847 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -10.537 -0.930 -23.320 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -10.013 -0.071 -24.450 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -0.546 7.997 -22.980 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 0.074 7.320 -23.253 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -0.754 7.779 -22.072 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 0.167 -3.220 -20.760 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 0.310 -4.167 -20.740 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 0.061 -3.013 -21.689 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -6.678 -5.119 -23.488 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -6.635 -4.259 -23.906 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -7.136 -5.671 -24.121 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -10.058 -2.722 -22.726 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -9.404 -3.272 -22.294 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -10.034 -2.996 -23.642 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -4.902 -1.172 -23.510 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -4.286 -1.698 -23.001 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -5.488 -1.812 -23.914 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -7.868 -6.201 -19.414 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -8.087 -5.671 -20.180 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -8.536 -5.974 -18.766 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -0.499 3.299 -25.870 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -0.795 2.977 -26.721 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -0.823 4.199 -25.828 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 2.808 -5.697 -23.106 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 2.593 -6.463 -22.574 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 3.464 -5.225 -22.593 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -8.274 -4.309 -21.461 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -7.661 -3.676 -21.088 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -7.762 -4.781 -22.118 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 2.855 4.732 -20.844 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 1.913 4.790 -20.683 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.131 5.638 -20.981 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 3.155 -6.982 -19.427 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.419 -6.371 -19.465 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.839 -6.567 -19.953 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -3.842 -8.895 -21.961 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -3.959 -9.844 -22.015 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -4.697 -8.563 -21.688 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 1.107 6.513 -24.219 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 1.532 5.806 -24.704 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 1.424 7.314 -24.636 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 1.728 -1.674 -17.441 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 1.808 -0.911 -16.869 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 1.127 -1.395 -18.132 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -6.524 0.782 -24.626 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -6.854 0.412 -25.445 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -5.936 0.112 -24.280 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 0.152 5.054 -20.259 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -0.089 5.716 -19.611 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -0.046 4.220 -19.834 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -1.572 6.051 -25.389 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -1.098 6.346 -24.611 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -2.135 6.789 -25.622 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -7.534 -0.148 -27.037 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.826 0.620 -27.528 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -8.208 -0.808 -27.200 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -11.441 2.215 -18.222 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -11.942 2.187 -19.037 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -11.435 1.309 -17.912 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -11.690 4.995 -21.338 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -10.744 4.851 -21.357 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -11.803 5.779 -20.801 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -2.100 9.007 -26.974 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -2.175 8.886 -27.920 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -2.067 9.957 -26.855 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -8.446 7.796 -25.193 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -8.294 7.448 -24.314 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -9.297 7.440 -25.448 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 3.659 -2.846 -15.176 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 3.252 -2.365 -15.896 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 3.700 -3.751 -15.483 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -6.573 -7.992 -21.183 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -7.434 -8.079 -21.591 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -6.595 -7.136 -20.756 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -6.482 -3.026 -20.088 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 -7.124 -3.067 -19.379 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -6.445 -2.100 -20.326 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -6.485 -2.805 -25.176 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -7.378 -3.146 -25.235 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -6.034 -3.182 -25.932 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 0.055 -2.943 -23.545 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 -0.140 -2.338 -24.260 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 0.237 -3.777 -23.980 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -8.732 -2.706 -18.221 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -8.770 -2.306 -17.353 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -9.223 -3.523 -18.131 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -0.681 -1.305 -18.874 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -0.357 -1.936 -19.517 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -1.121 -1.840 -18.213 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -3.903 -5.378 -24.090 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -4.814 -5.321 -23.801 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -3.398 -5.438 -23.279 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 0.502 -6.143 -20.826 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -0.175 -6.012 -20.162 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 0.016 -6.298 -21.636 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -2.583 -2.590 -22.203 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -2.019 -3.137 -22.750 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -2.731 -3.112 -21.414 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -3.413 2.011 -28.104 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -4.157 1.504 -28.427 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -3.547 2.060 -27.158 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -11.280 -0.233 -17.020 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -11.057 -0.651 -16.188 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -11.882 -0.846 -17.442 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 0.357 4.657 -16.917 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -0.544 4.840 -17.185 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 0.391 4.916 -15.996 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 1.544 0.496 -21.063 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 0.616 0.264 -21.090 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 1.995 -0.281 -21.393 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -5.913 4.824 -24.930 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -5.386 5.597 -25.131 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -6.793 5.049 -25.232 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -4.486 2.487 -25.354 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -4.727 3.412 -25.312 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -5.226 2.028 -24.958 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -5.802 7.509 -25.809 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -6.752 7.614 -25.757 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -5.451 8.329 -25.464 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -0.427 2.735 -19.338 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -0.853 2.508 -18.512 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 0.154 1.997 -19.521 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 2.232 7.287 -16.869 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.630 6.732 -17.364 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 2.513 7.954 -17.495 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -9.646 -5.480 -17.462 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -10.539 -5.141 -17.529 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -9.745 -6.335 -17.044 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.995 6.325 -19.027 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -9.778 5.393 -19.058 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -9.748 6.599 -18.143 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 3.813 -5.466 -16.620 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 2.897 -5.203 -16.708 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 4.149 -5.469 -17.517 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -9.003 -8.341 -22.165 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -9.232 -8.282 -23.092 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -9.446 -9.133 -21.858 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -10.073 5.599 -26.004 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -10.905 6.072 -25.977 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -9.527 6.109 -26.603 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -10.784 8.212 -14.674 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -10.244 7.995 -13.915 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -11.265 7.406 -14.864 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -6.187 7.131 -13.054 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -5.419 6.672 -12.713 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -6.208 6.905 -13.984 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 0.390 5.511 -14.325 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 0.039 4.655 -14.082 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 1.116 5.654 -13.718 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -10.877 2.022 -13.720 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -10.733 1.120 -14.006 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -11.650 2.308 -14.208 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.513 1.908 -16.904 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 2.258 2.496 -17.024 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 0.756 2.490 -16.841 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -10.045 -0.778 -14.300 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -9.637 -1.635 -14.421 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -10.305 -0.763 -13.379 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 1.968 -0.001 -15.005 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.687 0.708 -15.583 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 2.911 -0.074 -15.156 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 1.074 -6.505 -13.275 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 0.977 -7.457 -13.281 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 0.752 -6.236 -12.414 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -11.331 7.382 -23.653 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -11.665 6.501 -23.481 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -11.109 7.727 -22.789 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 4.232 3.548 -13.113 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 3.366 3.443 -12.719 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 4.608 4.307 -12.666 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -11.251 0.457 -21.202 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -11.067 0.375 -22.137 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -10.402 0.333 -20.778 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 4.570 0.349 -15.573 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 5.153 -0.385 -15.382 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 5.134 1.121 -15.527 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 6.067 -1.748 -14.889 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 5.204 -2.127 -15.054 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 6.671 -2.487 -14.963 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 4.036 -3.457 -21.314 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 4.969 -3.245 -21.348 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 3.801 -3.355 -20.391 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 4.065 -2.720 -18.538 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 3.222 -2.452 -18.172 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 4.508 -1.898 -18.749 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -11.653 -4.272 -15.061 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -10.734 -4.394 -14.825 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -12.103 -5.022 -14.672 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 6.348 -8.740 -13.184 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 6.698 -9.394 -13.790 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 6.495 -7.903 -13.624 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 5.868 -6.631 -14.835 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 4.951 -6.360 -14.871 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 5.991 -7.166 -15.619 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -9.659 5.210 -14.558 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -10.480 5.385 -15.018 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -9.911 5.137 -13.637 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -2.394 7.584 -15.340 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -2.209 7.250 -14.462 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -1.547 7.893 -15.662 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -0.049 8.869 -16.096 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 0.628 8.237 -16.336 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 0.273 9.271 -15.288 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -9.303 9.441 -18.252 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -10.023 9.881 -18.703 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -9.669 9.190 -17.403 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -6.836 9.041 -19.222 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -7.701 9.113 -18.818 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -6.891 9.588 -20.006 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -2.125 8.929 -20.046 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -2.582 9.458 -20.700 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -1.962 9.532 -19.321 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 0.202 7.807 -19.101 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -0.702 7.972 -19.367 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 0.631 8.660 -19.167 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -9.888 8.064 -21.341 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.907 7.639 -20.484 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -9.083 7.746 -21.750 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.747 6.774 -22.686 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.966 5.858 -22.517 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.923 6.914 -22.220 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -1.701 -7.092 -22.693 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -2.376 -7.721 -22.438 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -1.137 -7.576 -23.296 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.762 -8.501 -23.409 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 0.838 -8.406 -24.358 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 0.486 -9.409 -23.280 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -9.417 -7.944 -15.354 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -9.783 -8.709 -14.911 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -8.504 -7.915 -15.067 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 0.978 -9.261 -13.636 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 1.054 -9.687 -12.782 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 1.871 -9.247 -13.978 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -8.995 -0.432 -1.045 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -8.953 -1.058 -0.321 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -8.292 0.191 -0.863 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 2.343 2.892 -4.336 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 1.902 2.172 -3.886 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 2.330 3.613 -3.706 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -8.071 4.018 -2.510 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -8.441 3.216 -2.879 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -7.130 3.849 -2.463 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -11.461 -2.322 -7.117 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -11.909 -1.476 -7.135 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -12.022 -2.902 -7.632 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -10.751 -0.160 -4.991 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -10.537 -0.930 -4.464 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -10.013 -0.071 -5.594 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -2.974 2.386 -2.232 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -2.670 1.700 -2.826 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -2.252 2.504 -1.614 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 5.689 -6.013 -1.371 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 5.738 -5.403 -0.635 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 6.115 -5.552 -2.094 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -10.058 -2.722 -3.870 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -9.404 -3.272 -3.438 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -10.034 -2.996 -4.786 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -0.499 3.299 -7.014 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -0.795 2.977 -7.865 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -0.823 4.199 -6.972 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -5.299 1.475 -0.270 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -6.039 2.073 -0.167 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -4.585 2.029 -0.586 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.155 -6.982 -0.571 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 2.419 -6.371 -0.609 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.839 -6.567 -1.097 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 2.266 4.414 -6.854 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 2.009 3.724 -7.466 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 2.337 3.971 -6.009 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 1.728 -1.674 1.415 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 1.808 -0.911 1.987 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 1.127 -1.395 0.724 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -5.157 4.210 -3.089 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -5.252 3.632 -3.846 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -4.428 3.839 -2.593 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -6.157 -0.449 -2.137 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -5.592 -0.328 -2.900 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -5.838 0.188 -1.498 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -1.572 6.051 -6.533 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -1.098 6.346 -5.755 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -2.135 6.789 -6.766 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 4.400 -8.936 -10.155 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 3.501 -8.797 -9.860 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 4.652 -8.105 -10.557 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -7.534 -0.148 -8.181 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -7.826 0.620 -8.672 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -8.208 -0.808 -8.344 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 1.416 -4.514 1.901 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 0.902 -4.640 2.698 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 1.261 -3.602 1.656 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 2.179 0.347 -12.338 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.221 0.124 -13.268 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 3.028 0.745 -12.148 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -6.482 -3.026 -1.232 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -7.124 -3.067 -0.523 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.445 -2.100 -1.470 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -8.732 -2.706 0.635 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -8.770 -2.306 1.503 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -9.223 -3.523 0.725 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -12.124 -5.590 -5.515 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -11.493 -5.619 -4.795 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -11.674 -6.015 -6.245 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -0.681 -1.305 -0.018 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -0.357 -1.936 -0.661 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -1.121 -1.840 0.643 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -9.075 -3.749 -6.407 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -9.964 -3.649 -6.747 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -8.779 -4.591 -6.753 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -3.413 2.011 -9.248 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -4.157 1.504 -9.571 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -3.547 2.060 -8.302 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -8.288 1.306 -3.479 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -7.543 1.304 -4.080 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -8.210 0.482 -2.997 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -1.287 3.470 -10.223 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -1.582 4.296 -9.841 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -1.990 2.850 -10.027 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 1.544 0.496 -2.207 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 0.616 0.264 -2.234 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 1.995 -0.281 -2.537 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -5.913 4.824 -6.074 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -5.386 5.597 -6.275 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -6.793 5.049 -6.376 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -10.158 -0.314 -11.487 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.542 0.313 -11.108 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -11.020 0.002 -11.216 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -4.486 2.487 -6.498 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -4.727 3.412 -6.456 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -5.226 2.028 -6.102 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -0.427 2.735 -0.482 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -0.853 2.508 0.344 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 0.154 1.997 -0.665 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 1.776 3.664 -11.408 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 2.129 3.284 -10.604 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 0.827 3.571 -11.322 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -9.646 -5.480 1.394 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -10.539 -5.141 1.327 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -9.745 -6.335 1.812 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 2.642 2.337 -9.182 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 2.365 1.609 -8.626 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 3.569 2.456 -8.976 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -4.133 4.776 -12.961 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -3.894 4.028 -13.509 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -4.402 4.388 -12.129 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -5.196 4.346 -10.505 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -5.049 3.826 -9.715 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -5.199 5.253 -10.199 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -8.743 1.599 -9.995 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -9.429 1.951 -9.428 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -8.220 2.362 -10.241 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -0.911 -5.739 0.284 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -0.213 -5.665 0.934 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -1.292 -6.603 0.439 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -2.391 -3.373 1.401 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -2.272 -2.799 2.158 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -1.736 -4.061 1.516 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 2.415 -1.715 -3.668 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 1.618 -2.130 -3.997 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 2.860 -2.406 -3.177 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -8.127 4.213 -11.098 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -7.535 4.912 -10.822 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -7.668 3.780 -11.817 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -2.095 6.639 -12.823 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -2.739 6.008 -12.501 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -1.333 6.108 -13.055 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -6.536 2.366 -12.732 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -6.472 1.572 -12.201 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -5.883 2.247 -13.421 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -1.184 3.413 -12.996 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -1.452 3.593 -12.095 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -1.390 2.487 -13.127 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.387 0.338 -10.426 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.846 -0.146 -9.740 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -5.132 -0.330 -11.062 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -6.098 -1.769 1.930 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -6.716 -1.094 2.211 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -5.754 -1.448 1.097 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 5.074 0.936 -12.718 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 4.801 0.511 -13.531 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 5.114 1.867 -12.935 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -5.758 -4.414 3.013 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -5.608 -5.143 2.410 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -5.756 -3.637 2.454 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -5.346 -6.044 0.505 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -4.810 -5.593 -0.147 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -6.198 -6.152 0.083 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -3.764 -0.605 0.745 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -3.013 -0.761 0.172 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -4.103 0.247 0.469 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -3.276 -4.266 4.500 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -3.512 -4.486 5.402 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -4.059 -4.473 3.991 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -0.560 -5.139 3.576 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -1.508 -5.107 3.708 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -0.248 -5.764 4.230 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 1.074 -6.505 5.581 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 0.977 -7.457 5.575 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 0.752 -6.236 6.442 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -3.965 -7.611 5.662 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -4.096 -8.087 4.841 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -4.564 -6.867 5.606 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -10.850 3.908 -11.679 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -9.936 3.987 -11.406 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -10.843 3.221 -12.346 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 5.533 1.805 -8.743 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 6.383 2.226 -8.615 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 5.538 1.065 -8.135 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 5.927 -0.142 -6.919 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 5.201 -0.621 -6.521 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 6.508 0.064 -6.187 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 6.195 -0.241 -10.528 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 5.674 0.116 -11.247 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 6.162 0.434 -9.850 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 3.792 -5.593 -12.860 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 4.402 -5.965 -12.223 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 2.955 -6.015 -12.664 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 4.036 -3.457 -2.458 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 4.969 -3.245 -2.492 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 3.801 -3.355 -1.535 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 4.065 -2.720 0.318 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 3.222 -2.452 0.684 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 4.508 -1.898 0.107 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 6.348 -8.740 5.672 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 6.698 -9.394 5.066 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 6.495 -7.903 5.232 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -12.128 -2.961 -2.245 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -11.636 -3.182 -3.035 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -11.766 -2.120 -1.964 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 5.904 -6.708 -11.317 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 6.317 -7.429 -11.793 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 6.586 -6.038 -11.259 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -11.815 -6.703 -8.190 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -12.740 -6.494 -8.320 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -11.361 -6.219 -8.880 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -11.851 -7.965 0.154 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -12.516 -8.211 0.797 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -12.294 -7.343 -0.423 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 4.869 -8.541 1.840 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 4.056 -8.216 1.452 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 5.102 -9.301 1.307 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 3.441 -8.985 -3.725 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 4.045 -8.437 -4.226 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 2.572 -8.665 -3.965 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 5.168 -7.846 -5.391 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 5.780 -8.360 -5.918 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 5.551 -6.968 -5.368 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -9.417 -7.944 3.502 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -9.783 -8.709 3.945 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -8.504 -7.915 3.789 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -7.444 -8.593 5.038 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.545 -8.867 4.853 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -7.830 -9.336 5.502 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -8.819 8.208 -12.289 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -9.087 8.495 -11.416 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -8.048 7.662 -12.137 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 0.978 -9.261 5.220 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 1.054 -9.687 6.074 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 1.871 -9.247 4.878 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 5.689 -6.013 17.485 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 5.738 -5.403 18.221 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 6.115 -5.552 16.762 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 0.167 -3.220 16.952 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 0.310 -4.167 16.972 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 0.061 -3.013 16.023 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -6.678 -5.119 14.224 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -6.635 -4.259 13.806 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -7.136 -5.671 13.591 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 1.044 -4.988 12.625 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 1.690 -5.317 13.250 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 1.554 -4.470 12.002 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 6.081 -4.535 19.721 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 5.392 -3.877 19.626 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 6.096 -4.732 20.658 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -7.868 -6.201 18.298 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -8.087 -5.671 17.532 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -8.536 -5.974 18.946 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 2.808 -5.697 14.606 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 2.593 -6.463 15.138 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 3.464 -5.225 15.119 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -8.274 -4.309 16.251 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -7.661 -3.676 16.624 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -7.762 -4.781 15.594 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 1.728 -1.674 20.271 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 1.808 -0.911 20.843 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 1.127 -1.395 19.580 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 3.659 -2.846 22.536 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 3.252 -2.365 21.816 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 3.700 -3.751 22.229 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -2.248 -5.777 7.188 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -2.502 -5.758 8.111 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -2.505 -6.649 6.887 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -1.847 -2.214 22.841 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -2.410 -2.918 23.161 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -1.021 -2.334 23.308 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 0.055 -2.943 14.167 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -0.140 -2.338 13.452 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 0.237 -3.777 13.732 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -5.366 -5.332 6.289 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -5.797 -5.777 7.019 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -6.084 -4.960 5.777 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -12.124 -5.590 13.341 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -11.493 -5.619 14.061 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -11.674 -6.015 12.611 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -0.681 -1.305 18.838 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -0.357 -1.936 18.195 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -1.121 -1.840 19.499 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -3.903 -5.378 13.622 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -4.814 -5.321 13.911 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -3.398 -5.438 14.433 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -2.583 -2.590 15.509 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -2.019 -3.137 14.962 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -2.731 -3.112 16.298 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -7.581 -6.454 11.927 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -7.898 -7.356 11.892 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -6.800 -6.452 11.375 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -3.957 -4.202 17.923 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -4.792 -3.748 18.033 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -3.433 -3.926 18.675 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 0.485 -5.175 7.807 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -0.453 -5.063 7.656 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 0.782 -4.318 8.113 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -9.646 -5.480 20.250 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -10.539 -5.141 20.183 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -9.745 -6.335 20.668 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -0.127 -6.087 10.237 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 0.093 -5.615 9.434 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 0.431 -5.692 10.908 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -2.927 -4.359 11.072 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -2.115 -3.855 11.118 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -3.172 -4.504 11.986 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -2.391 -3.373 20.257 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.272 -2.799 21.014 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -1.736 -4.061 20.372 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -2.043 -7.278 12.010 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -2.390 -6.660 12.655 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -1.385 -6.777 11.529 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -6.386 -6.215 8.698 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -6.469 -5.326 9.044 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -5.496 -6.480 8.929 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 2.415 -1.715 15.188 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 1.618 -2.130 14.859 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 2.860 -2.406 15.679 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -9.003 -8.341 15.547 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -9.232 -8.282 14.620 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -9.446 -9.133 15.854 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -5.758 -4.414 21.869 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -5.608 -5.143 21.266 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -5.756 -3.637 21.310 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -5.346 -6.044 19.361 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -4.810 -5.593 18.709 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -6.198 -6.152 18.939 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -3.764 -0.605 19.601 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -3.013 -0.761 19.028 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -4.103 0.247 19.325 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 0.652 -2.790 24.629 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 0.844 -3.721 24.518 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 1.509 -2.365 24.619 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 1.968 -0.001 22.707 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 1.687 0.708 22.129 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 2.911 -0.074 22.556 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -7.280 -3.216 23.780 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -8.047 -3.748 23.570 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -6.601 -3.526 23.181 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -3.276 -4.266 23.356 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -3.512 -4.486 24.258 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -4.059 -4.473 22.847 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 1.074 -6.505 24.437 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 0.977 -7.457 24.431 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 0.752 -6.236 25.298 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -9.099 -5.295 23.485 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -8.888 -6.002 22.874 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -9.211 -5.733 24.329 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 3.792 -5.593 5.996 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 4.402 -5.965 6.633 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 2.955 -6.015 6.192 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 3.424 -4.038 10.962 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 3.704 -4.945 11.087 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 4.183 -3.604 10.573 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 4.036 -3.457 16.398 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 4.969 -3.245 16.364 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 3.801 -3.355 17.321 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 4.065 -2.720 19.174 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 3.222 -2.452 19.540 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 4.508 -1.898 18.963 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -11.653 -4.272 22.651 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -10.734 -4.394 22.887 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -12.103 -5.022 23.040 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 6.348 -8.740 24.528 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 6.698 -9.394 23.922 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 6.495 -7.903 24.088 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 4.038 -6.775 11.011 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 4.220 -7.224 11.836 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 3.438 -7.360 10.547 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -10.432 -5.960 15.542 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -9.987 -6.752 15.844 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -9.966 -5.244 15.973 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 5.868 -6.631 22.877 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 4.951 -6.360 22.841 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 5.991 -7.166 22.093 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 5.904 -6.708 7.539 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 6.317 -7.429 7.063 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 6.586 -6.038 7.597 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -11.815 -6.703 10.666 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -12.740 -6.494 10.536 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -11.361 -6.219 9.976 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 5.168 -7.846 13.465 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 5.780 -8.360 12.938 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 5.551 -6.968 13.488 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -9.375 -8.458 12.841 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -10.152 -8.692 12.333 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -8.844 -9.255 12.849 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -10.538 -8.660 8.644 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -10.099 -8.049 8.053 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -11.172 -8.122 9.118 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -4.795 -8.531 12.654 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -3.921 -8.143 12.624 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -4.931 -8.746 13.577 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -8.677 -6.744 7.087 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -8.186 -7.374 6.559 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -8.054 -6.448 7.750 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -3.651 -6.451 9.544 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -3.473 -7.097 10.227 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -3.705 -5.617 10.011 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -9.417 -7.944 22.358 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -9.783 -8.709 22.801 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -8.504 -7.915 22.645 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -7.444 -8.593 23.894 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -6.545 -8.867 23.709 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -7.830 -9.336 24.358 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 -1.521 -1.600 26.146 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 -0.820 -1.578 26.797 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 -1.219 -2.228 25.490 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 4.400 -8.936 27.557 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 3.501 -8.797 27.852 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 4.652 -8.105 27.155 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -5.366 -5.332 25.145 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -5.797 -5.777 25.875 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -6.084 -4.960 24.633 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -5.422 -3.749 28.961 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -4.490 -3.620 29.139 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -5.637 -3.079 28.312 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 0.485 -5.175 26.663 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 -0.453 -5.063 26.512 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 0.782 -4.318 26.969 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -0.127 -6.087 29.093 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 0.093 -5.615 28.290 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 0.431 -5.692 29.764 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -2.927 -4.359 29.928 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -2.115 -3.855 29.974 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -3.172 -4.504 30.842 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -2.043 -7.278 30.866 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -2.390 -6.660 31.511 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -1.385 -6.777 30.385 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -6.386 -6.215 27.554 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -6.469 -5.326 27.900 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -5.496 -6.480 27.785 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -4.316 -1.419 25.549 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -4.496 -1.573 24.621 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -3.365 -1.311 25.593 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 3.792 -5.593 24.852 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 4.402 -5.965 25.489 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 2.955 -6.015 25.048 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 5.904 -6.708 26.395 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 6.317 -7.429 25.919 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 6.586 -6.038 26.453 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -4.795 -8.531 31.510 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -3.921 -8.143 31.480 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -4.931 -8.746 32.433 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 2.115 -8.475 28.852 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 1.412 -7.861 28.642 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 1.670 -9.313 28.983 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -8.677 -6.744 25.943 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -8.186 -7.374 25.415 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -8.054 -6.448 26.606 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -3.651 -6.451 28.400 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -3.473 -7.097 29.083 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -3.705 -5.617 28.867 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -7.868 12.655 -19.414 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -8.087 13.185 -20.180 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -8.536 12.882 -18.766 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -3.842 9.961 -21.961 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -3.959 9.012 -22.015 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -4.697 10.293 -21.688 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -6.573 10.864 -21.183 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -7.434 10.777 -21.591 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -6.595 11.720 -20.756 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -1.910 10.586 -17.809 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -1.490 10.171 -17.056 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -2.843 10.408 -17.692 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -9.003 10.515 -22.165 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -9.232 10.574 -23.092 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -9.446 9.723 -21.858 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -5.346 12.812 -18.351 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -4.810 13.263 -19.003 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -6.198 12.704 -18.773 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -4.540 10.268 -17.919 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -4.638 11.215 -18.025 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -5.283 9.896 -18.395 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -4.318 9.562 -15.248 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -3.606 8.922 -15.262 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -4.419 9.829 -16.162 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -1.701 11.764 -22.693 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -2.376 11.135 -22.438 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -1.137 11.280 -23.296 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -4.795 10.325 -25.058 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -3.921 10.713 -25.088 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -4.931 10.110 -24.135 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 0.762 10.355 -23.409 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 0.838 10.450 -24.358 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 0.486 9.447 -23.280 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 8.072 -29.500 4.182 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 8.612 -29.717 4.941 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 7.591 -30.306 3.992 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 9.197 -32.502 4.298 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 8.376 -32.327 3.838 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 8.945 -32.575 5.219 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 9.553 -28.271 0.604 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 8.833 -27.831 0.153 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 9.187 -28.522 1.453 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 11.818 -31.690 22.200 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 11.826 -31.826 21.252 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 10.902 -31.808 22.452 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 7.415 -35.497 19.490 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 6.914 -35.525 18.675 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 7.421 -36.403 19.800 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 7.166 -32.717 16.374 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 8.112 -32.861 16.355 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 7.053 -31.933 16.911 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 10.410 -29.916 12.519 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 10.562 -30.264 13.398 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 9.559 -30.272 12.264 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 9.664 -34.174 20.533 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 9.881 -34.535 21.393 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 8.809 -34.548 20.323 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 13.054 -30.203 11.903 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 12.104 -30.098 11.955 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 13.405 -29.383 12.248 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 8.861 -31.387 18.685 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 9.078 -32.319 18.654 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 9.108 -31.113 19.569 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 8.783 -32.113 11.708 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 7.951 -31.640 11.735 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 9.329 -31.603 11.109 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 12.669 -30.581 24.658 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 13.437 -31.040 24.999 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 12.648 -30.807 23.728 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 8.006 -33.804 7.177 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 8.920 -33.725 7.450 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 8.013 -34.491 6.510 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 7.525 -30.330 14.059 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 7.191 -31.211 14.231 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 7.747 -29.985 14.923 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 9.197 -32.502 23.154 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 8.376 -32.327 22.694 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 8.945 -32.575 24.075 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 12.151 -31.527 19.413 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 11.726 -30.718 19.130 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 13.056 -31.442 19.111 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 12.020 -28.671 18.490 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 11.155 -28.599 18.894 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 11.965 -28.124 17.706 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 8.968 -29.648 16.371 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 8.949 -30.073 17.228 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 9.773 -29.966 15.962 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 11.109 -30.938 15.026 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 10.890 -31.854 15.195 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 11.933 -30.798 15.492 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 13.646 -30.468 15.874 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 13.859 -31.356 15.587 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 13.711 -30.502 16.829 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 8.219 -30.424 9.542 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 7.534 -30.462 8.874 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.222 -29.511 9.830 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 10.037 -29.504 6.567 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 9.769 -29.217 7.440 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.808 -30.050 6.719 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 10.785 -33.694 35.202 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 10.415 -34.496 34.833 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 11.726 -33.863 35.249 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 18.310 -29.715 33.588 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 18.930 -30.392 33.315 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 18.102 -29.933 34.496 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 8.086 -34.602 29.011 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 7.814 -34.373 28.122 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 8.131 -33.764 29.471 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 13.699 -33.502 34.623 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 13.604 -34.080 33.866 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 14.428 -33.873 35.119 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 17.284 -31.661 31.179 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 17.758 -31.366 31.957 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 16.721 -30.923 30.946 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 7.166 -32.717 35.230 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.112 -32.861 35.211 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 7.053 -31.933 35.767 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 16.756 -28.705 29.594 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 16.681 -28.826 28.648 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 16.789 -27.755 29.713 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 12.943 -32.888 31.638 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 13.470 -32.115 31.437 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 12.063 -32.663 31.336 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 8.861 -31.387 37.541 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 9.078 -32.319 37.510 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 9.108 -31.113 38.425 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 13.660 -33.366 27.207 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 13.807 -33.886 27.997 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 13.657 -32.459 27.513 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 16.398 -31.668 27.956 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 15.581 -31.171 28.009 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 16.927 -31.193 27.316 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 13.736 -30.625 27.938 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 13.897 -29.825 27.437 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 13.539 -30.318 28.823 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 10.729 -33.499 26.614 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 11.321 -32.800 26.890 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 11.188 -33.932 25.895 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 14.438 -28.440 26.550 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 15.371 -28.282 26.694 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 14.174 -27.765 25.925 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 8.006 -33.804 26.033 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 8.920 -33.725 26.306 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 8.013 -34.491 25.366 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.553 -28.271 38.316 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.833 -27.831 37.865 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.187 -28.522 39.165 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 12.020 -28.671 37.346 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 11.155 -28.599 37.750 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 11.965 -28.124 36.562 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 8.968 -29.648 35.227 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.949 -30.073 36.084 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 9.773 -29.966 34.818 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 11.109 -30.938 33.882 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 10.890 -31.854 34.051 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 11.933 -30.798 34.348 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 13.646 -30.468 34.730 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.859 -31.356 34.443 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.711 -30.502 35.685 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 17.083 -29.214 26.795 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 17.949 -28.848 26.617 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 16.836 -29.654 25.982 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 9.861 -19.288 -1.045 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 9.903 -19.914 -0.321 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 10.564 -18.665 -0.863 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.988 -25.057 -0.558 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 10.769 -24.527 -1.324 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.320 -24.830 0.090 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 11.965 -15.417 0.517 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 11.959 -14.538 0.139 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 11.111 -15.500 0.942 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 13.579 -14.906 2.580 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 13.267 -14.124 3.036 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 12.929 -15.059 1.894 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 10.499 -18.708 1.809 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 10.569 -18.057 2.507 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 9.608 -18.605 1.474 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.818 -12.834 3.344 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.826 -12.970 2.396 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 10.902 -12.952 3.596 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 7.166 -13.861 -2.482 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.112 -14.005 -2.501 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 7.053 -13.077 -1.945 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 9.664 -15.318 1.677 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 9.881 -15.679 2.537 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 8.809 -15.692 1.467 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 10.124 -21.562 0.635 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 10.086 -21.162 1.503 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.633 -22.379 0.725 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 14.593 -19.572 4.049 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 14.297 -19.738 3.154 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 15.524 -19.792 4.039 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.210 -24.336 1.394 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.317 -23.997 1.327 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 9.111 -25.191 1.812 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 8.861 -12.531 -0.171 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 9.078 -13.463 -0.202 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 9.108 -12.257 0.713 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 8.072 -10.644 4.182 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 8.612 -10.861 4.941 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 7.591 -11.450 3.992 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 14.634 -16.864 4.569 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.306 -16.593 3.711 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 14.786 -17.805 4.481 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 12.758 -20.625 1.930 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 12.140 -19.950 2.211 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.102 -20.304 1.097 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.098 -23.270 3.013 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.248 -23.999 2.410 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 13.100 -22.493 2.454 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.576 -22.072 4.924 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 10.809 -22.604 4.714 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.255 -22.382 4.325 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 9.757 -24.151 4.629 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 9.968 -24.858 4.018 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 9.645 -24.589 5.473 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 6.655 -9.555 -6.602 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 6.008 -10.017 -7.135 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.010 -10.227 -6.019 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 7.605 -18.399 -2.346 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 7.789 -18.481 -3.281 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 8.454 -18.523 -1.922 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 6.728 -21.817 -2.245 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 7.220 -22.038 -3.035 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 7.090 -20.976 -1.964 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 7.005 -26.821 0.154 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 6.340 -27.067 0.797 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 6.562 -26.199 -0.423 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 9.197 -13.646 4.298 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 8.376 -13.471 3.838 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 8.945 -13.719 5.219 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 9.439 -26.800 3.502 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.073 -27.565 3.945 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 10.352 -26.771 3.789 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.412 -27.449 5.038 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 12.311 -27.723 4.853 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.026 -28.192 5.502 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.861 -19.288 17.811 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.903 -19.914 18.535 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 10.564 -18.665 17.993 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.785 -14.838 16.346 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 10.415 -15.640 15.977 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 11.726 -15.007 16.393 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 12.178 -23.975 14.224 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 12.221 -23.115 13.806 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 11.720 -24.527 13.591 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 8.798 -21.578 14.986 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 9.452 -22.128 15.418 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 8.822 -21.852 14.070 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 10.988 -25.057 18.298 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 10.769 -24.527 17.532 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 10.320 -24.830 18.946 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 10.582 -23.165 16.251 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.195 -22.532 16.624 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 11.094 -23.637 15.594 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 8.086 -15.746 10.155 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 7.814 -15.517 9.266 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 8.131 -14.908 10.615 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 12.332 -18.074 13.086 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 12.002 -18.444 12.267 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 12.920 -18.744 13.432 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 10.499 -18.708 20.665 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 10.569 -18.057 21.363 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 9.608 -18.605 20.330 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 11.322 -19.004 10.675 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.030 -18.236 10.184 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 10.648 -19.664 10.512 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 7.415 -16.641 19.490 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 6.914 -16.669 18.675 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 7.421 -17.547 19.800 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 7.166 -13.861 16.374 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 8.112 -14.005 16.355 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 7.053 -13.077 16.911 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 10.410 -11.060 12.519 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 10.562 -11.408 13.398 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 9.559 -11.416 12.264 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 9.664 -15.318 20.533 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 9.881 -15.679 21.393 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 8.809 -15.692 20.323 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 12.283 -26.848 16.529 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 11.422 -26.935 16.121 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 12.261 -25.992 16.956 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 12.374 -21.882 17.624 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 11.732 -21.923 18.333 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 12.411 -20.956 17.386 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 12.371 -21.661 12.536 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 11.478 -22.002 12.477 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 12.822 -22.038 11.780 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 10.124 -21.562 19.491 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.086 -21.162 20.359 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.633 -22.379 19.581 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.490 -24.188 6.289 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 13.059 -24.633 7.019 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 12.772 -23.816 5.777 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 9.781 -22.605 12.449 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 8.892 -22.505 12.109 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 10.077 -23.447 12.103 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 13.434 -22.605 10.105 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 14.366 -22.476 10.283 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 13.219 -21.935 9.456 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 12.108 -21.410 7.672 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.566 -21.790 6.981 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 12.942 -21.216 7.243 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 10.243 -16.853 22.771 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 10.976 -16.599 23.332 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 9.463 -16.649 23.286 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 11.275 -25.310 11.927 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 10.958 -26.212 11.892 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 12.056 -25.308 11.375 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 14.899 -23.058 17.923 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 14.064 -22.604 18.033 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 15.423 -22.782 18.675 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 10.568 -17.550 15.377 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 11.313 -17.552 14.776 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 10.646 -18.374 15.859 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 7.576 -19.089 20.692 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 7.799 -19.507 21.524 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 6.974 -19.702 20.270 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 8.861 -12.531 18.685 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 9.078 -13.463 18.654 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 9.108 -12.257 19.569 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 10.113 -17.257 8.861 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 9.427 -16.905 9.428 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 10.636 -16.494 8.615 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 12.470 -25.071 8.698 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 12.387 -24.182 9.044 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 13.360 -25.336 8.929 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 10.729 -14.643 7.758 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 11.321 -13.944 8.034 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 11.188 -15.076 7.039 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 8.783 -13.257 11.708 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 7.951 -12.784 11.735 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 9.329 -12.747 11.109 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.072 -10.644 23.038 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 8.612 -10.861 23.797 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 7.591 -11.450 22.848 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 7.979 -16.834 23.992 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 8.123 -17.736 23.706 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 7.206 -16.548 23.504 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 12.320 -16.490 6.124 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 12.384 -17.284 6.655 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 12.973 -16.609 5.435 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 8.811 -19.634 23.412 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 9.219 -20.491 23.291 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 8.551 -19.619 24.333 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 13.469 -18.518 8.430 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 13.010 -19.002 9.116 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 13.724 -19.186 7.794 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 12.758 -20.625 20.786 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 12.140 -19.950 21.067 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 13.102 -20.304 19.953 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 14.540 -20.275 6.693 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 14.360 -20.429 5.765 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 15.491 -20.167 6.737 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 13.098 -23.270 21.869 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 13.248 -23.999 21.266 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 13.100 -22.493 21.310 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 13.510 -24.900 19.361 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 14.046 -24.449 18.709 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 12.658 -25.008 18.939 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 11.576 -22.072 23.780 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 10.809 -22.604 23.570 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 12.255 -22.382 23.181 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 14.316 -27.444 19.793 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 14.218 -26.497 19.687 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.573 -27.816 19.317 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 15.580 -23.122 23.356 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 15.344 -23.342 24.258 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 14.797 -23.329 22.847 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 14.538 -28.150 22.464 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 15.250 -28.790 22.450 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 14.437 -27.883 21.550 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 14.891 -26.467 24.518 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 14.760 -26.943 23.697 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 14.292 -25.723 24.462 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.006 -14.948 7.177 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.920 -14.869 7.450 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 8.013 -15.635 6.510 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 6.655 -9.555 12.254 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 6.008 -10.017 11.721 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.010 -10.227 12.837 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 7.525 -11.474 14.059 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 7.191 -12.355 14.231 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.747 -11.129 14.923 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 9.197 -13.646 23.154 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 8.376 -13.471 22.694 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 8.945 -13.719 24.075 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 9.553 -9.415 19.460 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 8.833 -8.975 19.009 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.187 -9.666 20.309 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.968 -10.792 16.371 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 8.949 -11.217 17.228 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 9.773 -11.110 15.962 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 14.061 -27.387 12.654 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 14.935 -26.999 12.624 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 13.925 -27.602 13.577 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 8.219 -11.568 9.542 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 7.534 -11.606 8.874 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 8.222 -10.655 9.830 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 10.179 -25.600 7.087 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 10.670 -26.230 6.559 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 10.802 -25.304 7.750 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.395 -21.178 30.595 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 6.947 -20.332 30.577 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 6.834 -21.758 30.080 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 8.105 -19.016 32.721 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.319 -19.786 33.248 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 8.843 -18.927 32.118 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 12.178 -23.975 33.080 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 12.221 -23.115 32.662 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 11.720 -24.527 32.447 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 8.798 -21.578 33.842 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.452 -22.128 34.274 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 8.822 -21.852 32.926 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 13.954 -20.028 33.058 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 14.570 -20.554 33.567 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 13.368 -20.668 32.654 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 10.988 -25.057 37.154 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 10.769 -24.527 36.388 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 10.320 -24.830 37.802 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 10.582 -23.165 35.107 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 11.195 -22.532 35.480 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 11.094 -23.637 34.450 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 8.086 -15.746 29.011 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 7.814 -15.517 28.122 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 8.131 -14.908 29.471 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 15.014 -27.751 34.607 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 14.897 -28.700 34.553 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 14.159 -27.419 34.880 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 11.322 -19.004 29.531 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.030 -18.236 29.040 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 10.648 -19.664 29.368 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 12.283 -26.848 35.385 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 11.422 -26.935 34.977 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 12.261 -25.992 35.812 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 16.608 -24.633 26.044 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 16.354 -24.614 26.967 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 16.351 -25.505 25.743 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 12.374 -21.882 36.480 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 11.732 -21.923 37.189 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 12.411 -20.956 36.242 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 12.371 -21.661 31.392 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 11.478 -22.002 31.333 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 12.822 -22.038 30.636 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 13.490 -24.188 25.145 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 13.059 -24.633 25.875 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 12.772 -23.816 24.633 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 6.732 -24.446 32.197 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 7.363 -24.475 32.917 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 7.182 -24.871 31.467 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 14.953 -24.234 32.478 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 14.042 -24.177 32.767 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 15.458 -24.294 33.289 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.781 -22.605 31.305 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 8.892 -22.505 30.965 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.077 -23.447 30.959 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 13.434 -22.605 28.961 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 14.366 -22.476 29.139 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 13.219 -21.935 28.312 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 12.108 -21.410 26.528 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 11.566 -21.790 25.837 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 12.942 -21.216 26.099 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 8.698 -19.170 26.225 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 9.314 -18.543 26.604 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 7.836 -18.854 26.496 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 10.113 -17.257 27.717 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 9.427 -16.905 28.284 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 10.636 -16.494 27.471 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 18.729 -24.943 29.093 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 18.949 -24.471 28.290 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 19.287 -24.548 29.764 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 15.929 -23.215 29.928 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 16.741 -22.711 29.974 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 15.684 -23.360 30.842 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 16.813 -26.134 30.866 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 16.466 -25.516 31.511 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 17.471 -25.633 30.385 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 13.469 -18.518 27.286 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.010 -19.002 27.972 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 13.724 -19.186 26.650 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 14.540 -20.275 25.549 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 14.360 -20.429 24.621 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 15.491 -20.167 25.593 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 8.006 -14.948 26.033 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 8.920 -14.869 26.306 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 8.013 -15.635 25.366 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 7.605 -18.399 35.366 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 7.789 -18.481 34.431 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 8.454 -18.523 35.790 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 8.424 -24.816 34.398 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 8.869 -25.608 34.700 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 8.890 -24.100 34.829 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 6.728 -21.817 35.467 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 7.220 -22.038 34.677 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 7.090 -20.976 35.748 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 7.005 -26.821 37.866 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 6.340 -27.067 38.509 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 6.562 -26.199 37.289 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 17.155 -25.948 33.875 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 16.480 -26.577 34.130 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 17.719 -26.432 33.272 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 8.219 -11.568 28.398 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 7.534 -11.606 27.730 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 8.222 -10.655 28.686 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 15.205 -25.307 28.400 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 15.383 -25.953 29.083 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 15.151 -24.473 28.867 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 7.203 -4.272 -15.061 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 8.122 -4.394 -14.825 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 6.753 -5.022 -14.672 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 7.395 -2.322 -7.117 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 6.947 -1.476 -7.135 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 6.834 -2.902 -7.632 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 8.105 -0.160 -4.991 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 8.319 -0.930 -4.464 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 8.843 -0.071 -5.594 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 8.798 -2.722 -3.870 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 9.452 -3.272 -3.438 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 8.822 -2.996 -4.786 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 6.732 -5.590 -5.515 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 7.363 -5.619 -4.795 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 7.182 -6.015 -6.245 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.007 -4.844 -10.091 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 8.481 -4.253 -10.676 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 7.289 -4.313 -9.744 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 9.781 -3.749 -6.407 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 8.892 -3.649 -6.747 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 10.077 -4.591 -6.753 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.698 -0.314 -11.487 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 9.314 0.313 -11.108 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 7.836 0.002 -11.216 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 9.045 -3.123 -11.982 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 9.000 -2.184 -11.803 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 8.157 -3.359 -12.252 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.424 -5.960 -3.314 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.869 -6.752 -3.012 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 8.890 -5.244 -2.883 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 6.728 -2.961 -2.245 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 7.220 -3.182 -3.035 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.090 -2.120 -1.964 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 7.041 -6.703 -8.190 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 6.116 -6.494 -8.320 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 7.495 -6.219 -8.880 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 8.318 -8.660 -10.212 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 8.757 -8.049 -10.803 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 7.684 -8.122 -9.738 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 6.732 -5.590 13.341 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 7.363 -5.619 14.061 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 7.182 -6.015 12.611 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 9.210 -5.480 20.250 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 8.317 -5.141 20.183 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 9.111 -6.335 20.668 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 7.203 -4.272 22.651 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 8.122 -4.394 22.887 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 6.753 -5.022 23.040 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 8.424 -5.960 15.542 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 8.869 -6.752 15.844 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 8.890 -5.244 15.973 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 6.728 -2.961 16.611 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 7.220 -3.182 15.821 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 7.090 -2.120 16.892 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 7.041 -6.703 10.666 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 6.116 -6.494 10.536 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 7.495 -6.219 9.976 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 7.005 -7.965 19.010 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 6.340 -8.211 19.653 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 6.562 -7.343 18.433 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 9.481 -8.458 12.841 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 8.704 -8.692 12.333 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 10.012 -9.255 12.849 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 8.318 -8.660 8.644 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 8.757 -8.049 8.053 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 7.684 -8.122 9.118 0.00 0.00 WAT1 END