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 14:30:08 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -11.295 -3.682 -2.726 1.00 34.32 ATOM 2 CB MET 1 -9.194 -4.113 -2.608 1.00 73.42 ATOM 3 HB1 MET 1 -8.516 -4.864 -2.992 1.00 37.07 ATOM 4 HB2 MET 1 -9.087 -4.076 -1.531 1.00 0.04 ATOM 5 CG MET 1 -8.783 -2.766 -3.179 1.00 62.24 ATOM 6 HG1 MET 1 -8.977 -2.762 -4.242 1.00 37.07 ATOM 7 HG2 MET 1 -7.724 -2.634 -3.012 1.00 23.34 ATOM 8 SD MET 1 -9.657 -1.389 -2.410 1.00 61.42 ATOM 9 CE MET 1 -9.914 -0.319 -3.823 1.00 62.54 ATOM 10 HE1 MET 1 -8.959 -0.043 -4.244 1.00 1.43 ATOM 11 HE2 MET 1 -10.440 0.571 -3.510 1.00 23.35 ATOM 12 HE3 MET 1 -10.498 -0.840 -4.567 1.00 2.20 ATOM 13 C MET 1 -10.746 -4.845 -4.429 1.00 33.22 ATOM 14 O MET 1 -9.814 -5.381 -5.026 1.00 25.14 ATOM 15 N MET 1 -11.057 -5.633 -2.122 1.00 31.50 ATOM 16 HT1 MET 1 -10.993 -5.386 -1.111 1.00 37.07 ATOM 17 HT2 MET 1 -10.457 -6.469 -2.298 1.00 37.07 ATOM 18 HT3 MET 1 -12.046 -5.884 -2.334 1.00 37.07 ATOM 19 CA MET 1 -10.634 -4.507 -2.946 1.00 3.14 ATOM 20 N GLY 2 -11.895 -4.529 -5.018 1.00 54.51 ATOM 21 HN GLY 2 -12.611 -4.095 -4.498 1.00 37.07 ATOM 22 CA GLY 2 -12.108 -4.807 -6.426 1.00 53.03 ATOM 23 HA1 GLY 2 -11.312 -5.430 -6.814 1.00 37.07 ATOM 24 HA2 GLY 2 -12.099 -3.869 -6.962 1.00 64.52 ATOM 25 C GLY 2 -13.426 -5.510 -6.686 1.00 21.14 ATOM 26 O GLY 2 -13.850 -6.359 -5.901 1.00 21.21 ATOM 27 N HIS 3 -14.077 -5.156 -7.789 1.00 11.50 ATOM 28 HN HIS 3 -13.686 -4.478 -8.389 1.00 37.07 ATOM 29 CA HIS 3 -15.356 -5.758 -8.149 1.00 64.11 ATOM 30 HA HIS 3 -15.761 -6.279 -7.287 1.00 71.44 ATOM 31 CB HIS 3 -16.349 -4.679 -8.580 1.00 43.54 ATOM 32 HB1 HIS 3 -17.144 -5.127 -9.166 1.00 37.07 ATOM 33 HB2 HIS 3 -15.837 -3.947 -9.187 1.00 20.21 ATOM 34 CG HIS 3 -16.984 -3.956 -7.432 1.00 41.05 ATOM 35 ND1 HIS 3 -16.257 -3.310 -6.455 1.00 10.20 ATOM 36 HD1 HIS 3 -15.279 -3.258 -6.409 1.00 21.23 ATOM 37 CD2 HIS 3 -18.286 -3.778 -7.110 1.00 74.20 ATOM 38 HD2 HIS 3 -19.139 -4.150 -7.660 1.00 12.32 ATOM 39 CE1 HIS 3 -17.085 -2.767 -5.580 1.00 22.40 ATOM 40 HE1 HIS 3 -16.799 -2.198 -4.708 1.00 13.10 ATOM 41 NE2 HIS 3 -18.322 -3.037 -5.955 1.00 14.42 ATOM 42 HE2 HIS 3 -19.127 -2.831 -5.436 1.00 37.07 ATOM 43 C HIS 3 -15.179 -6.780 -9.268 1.00 43.34 ATOM 44 O HIS 3 -15.694 -7.895 -9.192 1.00 32.53 ATOM 45 N HIS 4 -14.447 -6.391 -10.308 1.00 54.30 ATOM 46 HN HIS 4 -14.058 -5.487 -10.325 1.00 37.07 ATOM 47 CA HIS 4 -14.203 -7.273 -11.444 1.00 2.14 ATOM 48 HA HIS 4 -14.703 -8.220 -11.280 1.00 22.04 ATOM 49 CB HIS 4 -14.753 -6.651 -12.727 1.00 40.14 ATOM 50 HB1 HIS 4 -14.498 -7.280 -13.571 1.00 37.07 ATOM 51 HB2 HIS 4 -14.310 -5.676 -12.865 1.00 70.22 ATOM 52 CG HIS 4 -16.241 -6.481 -12.721 1.00 30.13 ATOM 53 ND1 HIS 4 -16.893 -5.528 -13.474 1.00 11.31 ATOM 54 HD1 HIS 4 -16.466 -4.881 -14.074 1.00 43.53 ATOM 55 CD2 HIS 4 -17.206 -7.151 -12.048 1.00 24.12 ATOM 56 HD2 HIS 4 -17.056 -7.971 -11.360 1.00 53.01 ATOM 57 CE1 HIS 4 -18.194 -5.617 -13.263 1.00 71.42 ATOM 58 HE1 HIS 4 -18.952 -4.997 -13.718 1.00 5.34 ATOM 59 NE2 HIS 4 -18.410 -6.595 -12.402 1.00 33.21 ATOM 60 HE2 HIS 4 -19.278 -6.815 -12.003 1.00 37.07 ATOM 61 C HIS 4 -12.712 -7.556 -11.600 1.00 21.40 ATOM 62 O HIS 4 -12.107 -7.212 -12.616 1.00 72.21 ATOM 63 N HIS 5 -12.124 -8.185 -10.587 1.00 34.32 ATOM 64 HN HIS 5 -12.661 -8.450 -9.802 1.00 37.07 ATOM 65 CA HIS 5 -10.704 -8.515 -10.612 1.00 42.20 ATOM 66 HA HIS 5 -10.206 -7.876 -11.336 1.00 61.34 ATOM 67 CB HIS 5 -10.079 -8.277 -9.237 1.00 31.31 ATOM 68 HB1 HIS 5 -9.183 -8.880 -9.132 1.00 37.07 ATOM 69 HB2 HIS 5 -10.784 -8.562 -8.469 1.00 42.20 ATOM 70 CG HIS 5 -9.692 -6.851 -8.993 1.00 32.10 ATOM 71 ND1 HIS 5 -10.473 -5.783 -9.380 1.00 14.31 ATOM 72 HD1 HIS 5 -11.335 -5.841 -9.840 1.00 13.34 ATOM 73 CD2 HIS 5 -8.600 -6.320 -8.396 1.00 1.23 ATOM 74 HD2 HIS 5 -7.772 -6.869 -7.969 1.00 5.33 ATOM 75 CE1 HIS 5 -9.878 -4.656 -9.033 1.00 4.12 ATOM 76 HE1 HIS 5 -10.258 -3.661 -9.208 1.00 74.22 ATOM 77 NE2 HIS 5 -8.739 -4.954 -8.433 1.00 60.24 ATOM 78 HE2 HIS 5 -8.149 -4.310 -7.989 1.00 37.07 ATOM 79 C HIS 5 -10.490 -9.964 -11.038 1.00 23.23 ATOM 80 O HIS 5 -11.396 -10.792 -10.936 1.00 62.03 ATOM 81 N HIS 6 -9.286 -10.264 -11.515 1.00 61.20 ATOM 82 HN HIS 6 -8.600 -9.562 -11.580 1.00 37.07 ATOM 83 CA HIS 6 -8.953 -11.614 -11.956 1.00 71.04 ATOM 84 HA HIS 6 -9.830 -12.245 -11.862 1.00 64.32 ATOM 85 CB HIS 6 -8.515 -11.601 -13.421 1.00 54.13 ATOM 86 HB1 HIS 6 -7.522 -11.177 -13.503 1.00 37.07 ATOM 87 HB2 HIS 6 -9.204 -10.990 -13.987 1.00 43.32 ATOM 88 CG HIS 6 -8.493 -12.959 -14.052 1.00 31.20 ATOM 89 ND1 HIS 6 -9.451 -13.390 -14.945 1.00 51.04 ATOM 90 HD1 HIS 6 -10.224 -12.870 -15.251 1.00 34.51 ATOM 91 CD2 HIS 6 -7.620 -13.985 -13.915 1.00 52.42 ATOM 92 HD2 HIS 6 -6.748 -14.004 -13.282 1.00 43.05 ATOM 93 CE1 HIS 6 -9.169 -14.622 -15.330 1.00 34.15 ATOM 94 HE1 HIS 6 -9.744 -15.214 -16.027 1.00 1.05 ATOM 95 NE2 HIS 6 -8.063 -15.006 -14.719 1.00 63.12 ATOM 96 HE2 HIS 6 -7.681 -15.908 -14.756 1.00 37.07 ATOM 97 C HIS 6 -7.850 -12.213 -11.089 1.00 11.11 ATOM 98 O HIS 6 -7.965 -13.343 -10.612 1.00 53.44 ATOM 99 N HIS 7 -6.781 -11.449 -10.888 1.00 40.24 ATOM 100 HN HIS 7 -6.741 -10.552 -11.295 1.00 37.07 ATOM 101 CA HIS 7 -5.657 -11.904 -10.078 1.00 61.32 ATOM 102 HA HIS 7 -5.473 -12.949 -10.314 1.00 41.52 ATOM 103 CB HIS 7 -4.402 -11.096 -10.409 1.00 1.11 ATOM 104 HB1 HIS 7 -3.700 -11.154 -9.585 1.00 37.07 ATOM 105 HB2 HIS 7 -4.673 -10.062 -10.566 1.00 41.35 ATOM 106 CG HIS 7 -3.688 -11.573 -11.636 1.00 73.03 ATOM 107 ND1 HIS 7 -2.388 -11.225 -11.934 1.00 24.14 ATOM 108 HD1 HIS 7 -1.812 -10.646 -11.392 1.00 21.51 ATOM 109 CD2 HIS 7 -4.101 -12.377 -12.644 1.00 22.21 ATOM 110 HD2 HIS 7 -5.072 -12.834 -12.738 1.00 21.44 ATOM 111 CE1 HIS 7 -2.031 -11.793 -13.072 1.00 34.11 ATOM 112 HE1 HIS 7 -1.068 -11.698 -13.551 1.00 30.20 ATOM 113 NE2 HIS 7 -3.053 -12.498 -13.523 1.00 70.22 ATOM 114 HE2 HIS 7 -3.030 -13.091 -14.303 1.00 37.07 ATOM 115 C HIS 7 -5.976 -11.785 -8.591 1.00 23.41 ATOM 116 O HIS 7 -6.230 -10.692 -8.086 1.00 11.44 ATOM 117 N HIS 8 -5.961 -12.918 -7.895 1.00 41.10 ATOM 118 HN HIS 8 -5.741 -13.767 -8.345 1.00 37.07 ATOM 119 CA HIS 8 -6.249 -12.940 -6.465 1.00 63.43 ATOM 120 HA HIS 8 -6.629 -11.970 -6.160 1.00 62.24 ATOM 121 CB HIS 8 -7.308 -13.998 -6.153 1.00 50.14 ATOM 122 HB1 HIS 8 -7.347 -14.171 -5.083 1.00 37.07 ATOM 123 HB2 HIS 8 -7.042 -14.920 -6.649 1.00 23.14 ATOM 124 CG HIS 8 -8.685 -13.617 -6.604 1.00 21.35 ATOM 125 ND1 HIS 8 -9.036 -13.497 -7.932 1.00 11.25 ATOM 126 HD1 HIS 8 -8.441 -13.642 -8.697 1.00 70.21 ATOM 127 CD2 HIS 8 -9.801 -13.331 -5.893 1.00 71.43 ATOM 128 HD2 HIS 8 -9.892 -13.328 -4.816 1.00 72.31 ATOM 129 CE1 HIS 8 -10.308 -13.152 -8.019 1.00 13.54 ATOM 130 HE1 HIS 8 -10.856 -12.987 -8.935 1.00 71.14 ATOM 131 NE2 HIS 8 -10.796 -13.045 -6.796 1.00 22.13 ATOM 132 HE2 HIS 8 -11.739 -12.895 -6.575 1.00 37.07 ATOM 133 C HIS 8 -4.983 -13.219 -5.661 1.00 3.24 ATOM 134 O HIS 8 -3.971 -13.657 -6.208 1.00 72.23 ATOM 135 N SER 9 -5.046 -12.960 -4.358 1.00 72.43 ATOM 136 HN SER 9 -5.880 -12.597 -3.975 1.00 37.07 ATOM 137 CA SER 9 -3.904 -13.179 -3.479 1.00 45.20 ATOM 138 HA SER 9 -3.293 -13.976 -3.887 1.00 63.32 ATOM 139 CB SER 9 -3.056 -11.909 -3.385 1.00 2.25 ATOM 140 HB1 SER 9 -3.449 -11.247 -2.622 1.00 37.07 ATOM 141 HB2 SER 9 -3.075 -11.397 -4.338 1.00 3.44 ATOM 142 OG SER 9 -1.707 -12.218 -3.079 1.00 0.42 ATOM 143 HG SER 9 -1.552 -12.104 -2.137 1.00 31.33 ATOM 144 C SER 9 -4.362 -13.602 -2.087 1.00 34.30 ATOM 145 O SER 9 -5.553 -13.561 -1.774 1.00 4.14 ATOM 146 N HIS 10 -3.409 -14.010 -1.255 1.00 51.10 ATOM 147 HN HIS 10 -2.472 -14.029 -1.567 1.00 37.07 ATOM 148 CA HIS 10 -3.714 -14.441 0.105 1.00 40.04 ATOM 149 HA HIS 10 -4.272 -13.644 0.577 1.00 2.53 ATOM 150 CB HIS 10 -4.573 -15.705 0.081 1.00 75.33 ATOM 151 HB1 HIS 10 -5.589 -15.431 -0.163 1.00 37.07 ATOM 152 HB2 HIS 10 -4.565 -16.181 1.050 1.00 10.35 ATOM 153 CG HIS 10 -4.117 -16.721 -0.921 1.00 23.25 ATOM 154 ND1 HIS 10 -2.834 -17.227 -0.948 1.00 51.43 ATOM 155 HD1 HIS 10 -2.112 -17.001 -0.331 1.00 31.40 ATOM 156 CD2 HIS 10 -4.781 -17.328 -1.932 1.00 45.54 ATOM 157 HD2 HIS 10 -5.816 -17.172 -2.204 1.00 64.23 ATOM 158 CE1 HIS 10 -2.728 -18.099 -1.935 1.00 52.51 ATOM 159 HE1 HIS 10 -1.839 -18.654 -2.195 1.00 31.52 ATOM 160 NE2 HIS 10 -3.896 -18.178 -2.548 1.00 24.54 ATOM 161 HE2 HIS 10 -4.069 -18.681 -3.371 1.00 37.07 ATOM 162 C HIS 10 -2.433 -14.697 0.893 1.00 33.14 ATOM 163 O HIS 10 -1.368 -14.946 0.330 1.00 65.34 ATOM 164 N PRO 11 -2.538 -14.634 2.229 1.00 23.11 ATOM 165 CA PRO 11 -1.398 -14.856 3.124 1.00 43.04 ATOM 166 HA PRO 11 -0.569 -14.209 2.868 1.00 45.23 ATOM 167 CB PRO 11 -1.943 -14.461 4.498 1.00 12.12 ATOM 168 HB1 PRO 11 -1.707 -13.425 4.690 1.00 37.07 ATOM 169 HB2 PRO 11 -1.512 -15.078 5.277 1.00 62.52 ATOM 170 CG PRO 11 -3.416 -14.662 4.393 1.00 4.44 ATOM 171 HG1 PRO 11 -3.927 -13.992 5.069 1.00 37.07 ATOM 172 HG2 PRO 11 -3.664 -15.688 4.621 1.00 3.21 ATOM 173 CD PRO 11 -3.777 -14.342 2.969 1.00 2.21 ATOM 174 HD1 PRO 11 -4.046 -13.300 2.875 1.00 37.07 ATOM 175 HD2 PRO 11 -4.589 -14.968 2.653 1.00 42.25 ATOM 176 C PRO 11 -0.940 -16.311 3.130 1.00 55.30 ATOM 177 O PRO 11 -1.754 -17.226 3.249 1.00 4.02 ATOM 178 N ASN 12 0.366 -16.516 3.001 1.00 4.04 ATOM 179 HN ASN 12 0.972 -15.740 2.919 1.00 37.07 ATOM 180 CA ASN 12 0.932 -17.860 2.992 1.00 34.43 ATOM 181 HA ASN 12 0.342 -18.462 2.310 1.00 54.23 ATOM 182 CB ASN 12 2.383 -17.823 2.510 1.00 50.35 ATOM 183 HB1 ASN 12 3.039 -17.558 3.332 1.00 37.07 ATOM 184 HB2 ASN 12 2.477 -17.075 1.734 1.00 50.12 ATOM 185 CG ASN 12 2.834 -19.150 1.930 1.00 2.51 ATOM 186 OD1 ASN 12 2.045 -19.876 1.326 1.00 20.32 ATOM 187 ND2 ASN 12 4.110 -19.471 2.112 1.00 34.43 ATOM 188 HD21 ASN 12 4.695 -18.850 2.603 1.00 2.35 ATOM 189 HD22 ASN 12 4.422 -20.324 1.745 1.00 61.34 ATOM 190 C ASN 12 0.862 -18.489 4.381 1.00 71.13 ATOM 191 O ASN 12 0.538 -17.819 5.360 1.00 13.22 ATOM 192 N GLU 13 1.169 -19.780 4.456 1.00 63.32 ATOM 193 HN GLU 13 1.373 -20.279 3.637 1.00 37.07 ATOM 194 CA GLU 13 1.141 -20.499 5.724 1.00 22.02 ATOM 195 HA GLU 13 0.130 -20.549 6.059 1.00 32.43 ATOM 196 CB GLU 13 1.672 -21.922 5.541 1.00 31.42 ATOM 197 HB1 GLU 13 2.614 -21.881 5.013 1.00 37.07 ATOM 198 HB2 GLU 13 0.963 -22.471 4.937 1.00 34.35 ATOM 199 CG GLU 13 1.854 -22.677 6.848 1.00 44.44 ATOM 200 HG1 GLU 13 1.759 -23.723 6.639 1.00 37.07 ATOM 201 HG2 GLU 13 1.088 -22.382 7.553 1.00 73.42 ATOM 202 CD GLU 13 3.215 -22.439 7.473 1.00 64.31 ATOM 203 OE1 GLU 13 4.210 -22.365 6.721 1.00 15.01 ATOM 204 OE2 GLU 13 3.286 -22.328 8.715 1.00 55.21 ATOM 205 C GLU 13 1.965 -19.769 6.781 1.00 31.34 ATOM 206 O GLU 13 1.510 -19.569 7.907 1.00 25.02 ATOM 207 N GLU 14 3.179 -19.375 6.409 1.00 31.54 ATOM 208 HN GLU 14 3.467 -19.529 5.480 1.00 37.07 ATOM 209 CA GLU 14 4.067 -18.670 7.326 1.00 15.50 ATOM 210 HA GLU 14 4.115 -19.230 8.252 1.00 64.42 ATOM 211 CB GLU 14 5.476 -18.577 6.737 1.00 33.51 ATOM 212 HB1 GLU 14 6.146 -18.196 7.495 1.00 37.07 ATOM 213 HB2 GLU 14 5.464 -17.889 5.899 1.00 12.34 ATOM 214 CG GLU 14 6.019 -19.909 6.247 1.00 30.34 ATOM 215 HG1 GLU 14 5.338 -20.334 5.528 1.00 37.07 ATOM 216 HG2 GLU 14 6.109 -20.577 7.090 1.00 40.41 ATOM 217 CD GLU 14 7.377 -19.778 5.587 1.00 45.13 ATOM 218 OE1 GLU 14 7.461 -19.116 4.531 1.00 63.12 ATOM 219 OE2 GLU 14 8.356 -20.336 6.125 1.00 61.54 ATOM 220 C GLU 14 3.537 -17.270 7.627 1.00 72.41 ATOM 221 O GLU 14 3.782 -16.720 8.700 1.00 41.22 ATOM 222 N ALA 15 2.810 -16.701 6.671 1.00 34.22 ATOM 223 HN ALA 15 2.676 -17.167 5.820 1.00 37.07 ATOM 224 CA ALA 15 2.244 -15.368 6.833 1.00 11.35 ATOM 225 HA ALA 15 3.045 -14.687 7.094 1.00 21.04 ATOM 226 CB ALA 15 1.635 -14.890 5.524 1.00 54.13 ATOM 227 HB1 ALA 15 1.422 -13.834 5.594 1.00 12.13 ATOM 228 HB2 ALA 15 0.719 -15.425 5.322 1.00 63.44 ATOM 229 HB3 ALA 15 2.334 -15.060 4.718 1.00 24.33 ATOM 230 C ALA 15 1.199 -15.346 7.944 1.00 22.01 ATOM 231 O ALA 15 1.237 -14.490 8.828 1.00 21.12 ATOM 232 N ARG 16 0.267 -16.292 7.892 1.00 22.00 ATOM 233 HN ARG 16 0.290 -16.931 7.148 1.00 37.07 ATOM 234 CA ARG 16 -0.789 -16.380 8.893 1.00 52.30 ATOM 235 HA ARG 16 -1.221 -15.397 9.017 1.00 12.31 ATOM 236 CB ARG 16 -1.885 -17.340 8.426 1.00 24.35 ATOM 237 HB1 ARG 16 -2.388 -16.898 7.578 1.00 37.07 ATOM 238 HB2 ARG 16 -2.605 -17.471 9.226 1.00 52.54 ATOM 239 CG ARG 16 -1.361 -18.703 8.005 1.00 25.54 ATOM 240 HG1 ARG 16 -0.690 -19.074 8.755 1.00 37.07 ATOM 241 HG2 ARG 16 -0.844 -18.610 7.072 1.00 70.54 ATOM 242 CD ARG 16 -2.490 -19.709 7.842 1.00 0.54 ATOM 243 HD1 ARG 16 -3.433 -19.194 7.695 1.00 37.07 ATOM 244 HD2 ARG 16 -2.552 -20.296 8.746 1.00 32.03 ATOM 245 NE ARG 16 -2.260 -20.614 6.720 1.00 45.43 ATOM 246 HE ARG 16 -1.986 -21.533 6.931 1.00 31.23 ATOM 247 CZ ARG 16 -2.402 -20.258 5.448 1.00 74.12 ATOM 248 NH1 ARG 16 -2.773 -19.023 5.139 1.00 63.01 ATOM 249 HH11 ARG 16 -2.954 -18.338 5.839 1.00 73.14 ATOM 250 HH12 ARG 16 -2.876 -18.766 4.175 1.00 34.52 ATOM 251 NH2 ARG 16 -2.174 -21.139 4.482 1.00 53.32 ATOM 252 HH21 ARG 16 -1.894 -22.074 4.709 1.00 43.41 ATOM 253 HH22 ARG 16 -2.281 -20.873 3.522 1.00 32.31 ATOM 254 C ARG 16 -0.230 -16.843 10.235 1.00 45.31 ATOM 255 O ARG 16 -0.704 -16.429 11.294 1.00 72.23 ATOM 256 N LEU 17 0.781 -17.703 10.183 1.00 4.12 ATOM 257 HN LEU 17 1.119 -18.009 9.309 1.00 37.07 ATOM 258 CA LEU 17 1.406 -18.223 11.395 1.00 61.14 ATOM 259 HA LEU 17 0.652 -18.739 11.968 1.00 13.24 ATOM 260 CB LEU 17 2.512 -19.217 11.035 1.00 33.43 ATOM 261 HB1 LEU 17 3.139 -18.754 10.284 1.00 37.07 ATOM 262 HB2 LEU 17 2.046 -20.090 10.596 1.00 12.11 ATOM 263 CG LEU 17 3.406 -19.673 12.189 1.00 12.31 ATOM 264 HG LEU 17 3.888 -18.816 12.634 1.00 34.41 ATOM 265 CD1 LEU 17 2.580 -20.358 13.267 1.00 54.54 ATOM 266 HD11 LEU 17 2.100 -21.236 12.860 1.00 52.44 ATOM 267 HD12 LEU 17 1.830 -19.678 13.646 1.00 35.33 ATOM 268 HD13 LEU 17 3.233 -20.642 14.068 1.00 60.52 ATOM 269 CD2 LEU 17 4.499 -20.601 11.682 1.00 63.51 ATOM 270 HD21 LEU 17 4.066 -21.393 11.095 1.00 75.30 ATOM 271 HD22 LEU 17 5.042 -21.025 12.516 1.00 4.11 ATOM 272 HD23 LEU 17 5.183 -20.037 11.065 1.00 74.33 ATOM 273 C LEU 17 1.980 -17.091 12.241 1.00 51.15 ATOM 274 O LEU 17 1.946 -17.143 13.470 1.00 10.21 ATOM 275 N ASP 18 2.504 -16.069 11.574 1.00 43.42 ATOM 276 HN ASP 18 2.522 -16.087 10.588 1.00 37.07 ATOM 277 CA ASP 18 3.083 -14.922 12.264 1.00 14.52 ATOM 278 HA ASP 18 3.888 -15.293 12.885 1.00 11.21 ATOM 279 CB ASP 18 3.637 -13.917 11.253 1.00 52.12 ATOM 280 HB1 ASP 18 2.836 -13.302 10.863 1.00 37.07 ATOM 281 HB2 ASP 18 4.094 -14.456 10.435 1.00 20.41 ATOM 282 CG ASP 18 4.690 -13.009 11.857 1.00 51.34 ATOM 283 OD1 ASP 18 5.100 -13.259 13.010 1.00 74.23 ATOM 284 OD2 ASP 18 5.105 -12.048 11.176 1.00 42.03 ATOM 285 C ASP 18 2.046 -14.245 13.156 1.00 23.12 ATOM 286 O ASP 18 2.364 -13.783 14.252 1.00 11.15 ATOM 287 N ILE 19 0.808 -14.190 12.678 1.00 13.15 ATOM 288 HN ILE 19 0.610 -14.590 11.801 1.00 37.07 ATOM 289 CA ILE 19 -0.275 -13.570 13.433 1.00 44.02 ATOM 290 HA ILE 19 0.011 -12.550 13.657 1.00 2.52 ATOM 291 CB ILE 19 -1.581 -13.537 12.618 1.00 14.25 ATOM 292 HB ILE 19 -1.861 -14.551 12.399 1.00 50.32 ATOM 293 CG1 ILE 19 -1.370 -12.783 11.304 1.00 43.10 ATOM 294 HG11 ILE 19 -0.437 -13.077 10.848 1.00 37.07 ATOM 295 HG12 ILE 19 -1.340 -11.719 11.495 1.00 35.41 ATOM 296 CG2 ILE 19 -2.695 -12.894 13.431 1.00 54.32 ATOM 297 HG21 ILE 19 -2.933 -13.507 14.285 1.00 55.51 ATOM 298 HG22 ILE 19 -3.581 -12.794 12.819 1.00 11.53 ATOM 299 HG23 ILE 19 -2.384 -11.914 13.767 1.00 51.13 ATOM 300 CD1 ILE 19 -2.456 -13.034 10.282 1.00 63.45 ATOM 301 HD11 ILE 19 -2.196 -12.547 9.354 1.00 3.23 ATOM 302 HD12 ILE 19 -3.382 -12.632 10.649 1.00 31.12 ATOM 303 HD13 ILE 19 -2.562 -14.093 10.115 1.00 54.33 ATOM 304 C ILE 19 -0.524 -14.308 14.744 1.00 72.14 ATOM 305 O ILE 19 -0.818 -13.693 15.769 1.00 14.32 ATOM 306 N LEU 20 -0.403 -15.630 14.704 1.00 73.43 ATOM 307 HN LEU 20 -0.174 -16.073 13.853 1.00 37.07 ATOM 308 CA LEU 20 -0.614 -16.454 15.889 1.00 22.12 ATOM 309 HA LEU 20 -1.552 -16.161 16.346 1.00 30.44 ATOM 310 CB LEU 20 -0.695 -17.931 15.500 1.00 24.33 ATOM 311 HB1 LEU 20 -0.580 -18.521 16.405 1.00 37.07 ATOM 312 HB2 LEU 20 0.153 -18.147 14.863 1.00 25.20 ATOM 313 CG LEU 20 -1.979 -18.371 14.797 1.00 15.14 ATOM 314 HG LEU 20 -2.667 -17.552 14.772 1.00 21.34 ATOM 315 CD1 LEU 20 -1.688 -18.789 13.365 1.00 63.43 ATOM 316 HD11 LEU 20 -1.220 -17.977 12.845 1.00 72.24 ATOM 317 HD12 LEU 20 -2.612 -19.045 12.866 1.00 14.21 ATOM 318 HD13 LEU 20 -1.028 -19.646 13.361 1.00 53.45 ATOM 319 CD2 LEU 20 -2.644 -19.507 15.562 1.00 41.41 ATOM 320 HD21 LEU 20 -1.957 -20.336 15.659 1.00 60.30 ATOM 321 HD22 LEU 20 -3.529 -19.835 15.032 1.00 12.44 ATOM 322 HD23 LEU 20 -2.929 -19.158 16.541 1.00 63.42 ATOM 323 C LEU 20 0.506 -16.244 16.904 1.00 74.11 ATOM 324 O LEU 20 0.272 -16.252 18.113 1.00 42.32 ATOM 325 N LYS 21 1.722 -16.055 16.404 1.00 1.22 ATOM 326 HN LYS 21 1.856 -16.074 15.427 1.00 37.07 ATOM 327 CA LYS 21 2.878 -15.839 17.266 1.00 45.23 ATOM 328 HA LYS 21 2.936 -16.661 17.969 1.00 44.44 ATOM 329 CB LYS 21 4.162 -15.810 16.433 1.00 23.12 ATOM 330 HB1 LYS 21 4.999 -15.572 17.079 1.00 37.07 ATOM 331 HB2 LYS 21 4.068 -15.037 15.682 1.00 61.31 ATOM 332 CG LYS 21 4.465 -17.125 15.736 1.00 33.32 ATOM 333 HG1 LYS 21 3.616 -17.410 15.138 1.00 37.07 ATOM 334 HG2 LYS 21 4.631 -17.871 16.496 1.00 23.34 ATOM 335 CD LYS 21 5.687 -17.013 14.840 1.00 33.40 ATOM 336 HD1 LYS 21 6.442 -16.407 15.327 1.00 37.07 ATOM 337 HD2 LYS 21 5.397 -16.549 13.910 1.00 51.23 ATOM 338 CE LYS 21 6.285 -18.379 14.540 1.00 74.33 ATOM 339 HE1 LYS 21 7.118 -18.250 13.865 1.00 37.07 ATOM 340 HE2 LYS 21 5.536 -18.998 14.068 1.00 71.42 ATOM 341 NZ LYS 21 6.766 -19.058 15.775 1.00 52.12 ATOM 342 HZ1 LYS 21 7.312 -18.400 16.372 1.00 53.34 ATOM 343 HZ2 LYS 21 7.381 -19.856 15.519 1.00 71.42 ATOM 344 HZ3 LYS 21 5.964 -19.426 16.322 1.00 23.31 ATOM 345 C LYS 21 2.738 -14.537 18.048 1.00 24.03 ATOM 346 O LYS 21 3.062 -14.478 19.235 1.00 40.41 ATOM 347 N ILE 22 2.253 -13.498 17.377 1.00 5.22 ATOM 348 HN ILE 22 1.998 -13.610 16.432 1.00 37.07 ATOM 349 CA ILE 22 2.068 -12.199 18.011 1.00 5.54 ATOM 350 HA ILE 22 3.019 -11.885 18.417 1.00 14.01 ATOM 351 CB ILE 22 1.603 -11.138 16.996 1.00 13.14 ATOM 352 HB ILE 22 0.650 -11.455 16.590 1.00 53.22 ATOM 353 CG1 ILE 22 2.618 -11.008 15.859 1.00 21.22 ATOM 354 HG11 ILE 22 2.974 -11.975 15.558 1.00 37.07 ATOM 355 HG12 ILE 22 3.464 -10.424 16.196 1.00 11.23 ATOM 356 CG2 ILE 22 1.399 -9.798 17.687 1.00 54.31 ATOM 357 HG21 ILE 22 2.287 -9.533 18.245 1.00 15.54 ATOM 358 HG22 ILE 22 0.555 -9.852 18.358 1.00 32.40 ATOM 359 HG23 ILE 22 1.204 -9.033 16.948 1.00 43.14 ATOM 360 CD1 ILE 22 2.062 -10.330 14.627 1.00 52.02 ATOM 361 HD11 ILE 22 1.823 -9.303 14.857 1.00 15.04 ATOM 362 HD12 ILE 22 1.169 -10.842 14.302 1.00 62.50 ATOM 363 HD13 ILE 22 2.799 -10.358 13.838 1.00 55.23 ATOM 364 C ILE 22 1.053 -12.280 19.146 1.00 22.32 ATOM 365 O ILE 22 1.291 -11.776 20.244 1.00 2.02 ATOM 366 N HIS 23 -0.080 -12.921 18.875 1.00 44.34 ATOM 367 HN HIS 23 -0.215 -13.308 17.977 1.00 37.07 ATOM 368 CA HIS 23 -1.131 -13.071 19.874 1.00 73.20 ATOM 369 HA HIS 23 -1.293 -12.109 20.347 1.00 73.54 ATOM 370 CB HIS 23 -2.434 -13.521 19.211 1.00 44.51 ATOM 371 HB1 HIS 23 -3.170 -13.743 19.973 1.00 37.07 ATOM 372 HB2 HIS 23 -2.241 -14.411 18.631 1.00 15.35 ATOM 373 CG HIS 23 -3.025 -12.493 18.296 1.00 74.01 ATOM 374 ND1 HIS 23 -3.208 -11.176 18.661 1.00 12.02 ATOM 375 HD1 HIS 23 -2.978 -10.786 19.530 1.00 32.22 ATOM 376 CD2 HIS 23 -3.475 -12.595 17.023 1.00 11.23 ATOM 377 HD2 HIS 23 -3.486 -13.490 16.418 1.00 43.15 ATOM 378 CE1 HIS 23 -3.746 -10.513 17.654 1.00 54.55 ATOM 379 HE1 HIS 23 -4.001 -9.463 17.653 1.00 52.42 ATOM 380 NE2 HIS 23 -3.918 -11.351 16.647 1.00 10.42 ATOM 381 HE2 HIS 23 -4.209 -11.099 15.746 1.00 37.07 ATOM 382 C HIS 23 -0.721 -14.074 20.948 1.00 62.53 ATOM 383 O HIS 23 -1.197 -14.015 22.081 1.00 4.54 ATOM 384 N SER 24 0.165 -14.996 20.582 1.00 34.12 ATOM 385 HN SER 24 0.516 -15.004 19.662 1.00 37.07 ATOM 386 CA SER 24 0.635 -16.015 21.513 1.00 65.22 ATOM 387 HA SER 24 -0.195 -16.323 22.131 1.00 2.41 ATOM 388 CB SER 24 1.150 -17.236 20.748 1.00 75.23 ATOM 389 HB1 SER 24 1.608 -17.909 21.435 1.00 37.07 ATOM 390 HB2 SER 24 1.870 -16.926 20.007 1.00 63.23 ATOM 391 OG SER 24 0.088 -17.917 20.102 1.00 71.51 ATOM 392 HG SER 24 -0.610 -18.115 20.733 1.00 24.30 ATOM 393 C SER 24 1.738 -15.463 22.411 1.00 11.33 ATOM 394 O SER 24 1.941 -15.939 23.528 1.00 33.41 ATOM 395 N ARG 25 2.447 -14.454 21.915 1.00 61.31 ATOM 396 HN ARG 25 2.261 -14.124 21.006 1.00 37.07 ATOM 397 CA ARG 25 3.530 -13.837 22.671 1.00 10.11 ATOM 398 HA ARG 25 4.318 -14.571 22.781 1.00 35.34 ATOM 399 CB ARG 25 4.069 -12.615 21.925 1.00 10.35 ATOM 400 HB1 ARG 25 4.432 -11.884 22.638 1.00 37.07 ATOM 401 HB2 ARG 25 3.270 -12.170 21.360 1.00 54.14 ATOM 402 CG ARG 25 5.215 -12.935 20.980 1.00 4.32 ATOM 403 HG1 ARG 25 4.977 -13.817 20.408 1.00 37.07 ATOM 404 HG2 ARG 25 6.104 -13.121 21.565 1.00 30.35 ATOM 405 CD ARG 25 5.485 -11.785 20.022 1.00 12.00 ATOM 406 HD1 ARG 25 4.553 -11.297 19.768 1.00 37.07 ATOM 407 HD2 ARG 25 5.931 -12.186 19.124 1.00 71.24 ATOM 408 NE ARG 25 6.397 -10.798 20.594 1.00 60.20 ATOM 409 HE ARG 25 6.776 -10.982 21.485 1.00 75.30 ATOM 410 CZ ARG 25 6.742 -9.672 19.979 1.00 74.53 ATOM 411 NH1 ARG 25 6.252 -9.392 18.779 1.00 61.32 ATOM 412 HH11 ARG 25 5.621 -10.014 18.317 1.00 65.21 ATOM 413 HH12 ARG 25 6.517 -8.540 18.322 1.00 22.32 ATOM 414 NH2 ARG 25 7.577 -8.824 20.564 1.00 22.01 ATOM 415 HH21 ARG 25 7.950 -9.030 21.471 1.00 41.23 ATOM 416 HH22 ARG 25 7.839 -7.974 20.102 1.00 30.43 ATOM 417 C ARG 25 3.057 -13.429 24.063 1.00 1.04 ATOM 418 O ARG 25 3.836 -13.416 25.017 1.00 43.44 ATOM 419 N LYS 26 1.776 -13.096 24.173 1.00 35.23 ATOM 420 HN LYS 26 1.198 -13.081 23.377 1.00 37.07 ATOM 421 CA LYS 26 1.197 -12.688 25.448 1.00 21.31 ATOM 422 HA LYS 26 1.987 -12.316 26.093 1.00 2.43 ATOM 423 CB LYS 26 0.173 -11.572 25.233 1.00 75.02 ATOM 424 HB1 LYS 26 -0.512 -11.536 26.075 1.00 37.07 ATOM 425 HB2 LYS 26 -0.397 -11.793 24.340 1.00 13.50 ATOM 426 CG LYS 26 0.797 -10.199 25.058 1.00 1.41 ATOM 427 HG1 LYS 26 0.149 -9.606 24.428 1.00 37.07 ATOM 428 HG2 LYS 26 1.766 -10.296 24.582 1.00 23.10 ATOM 429 CD LYS 26 0.965 -9.489 26.391 1.00 4.20 ATOM 430 HD1 LYS 26 1.576 -10.099 27.043 1.00 37.07 ATOM 431 HD2 LYS 26 -0.008 -9.343 26.838 1.00 12.14 ATOM 432 CE LYS 26 1.634 -8.133 26.220 1.00 31.32 ATOM 433 HE1 LYS 26 2.478 -8.227 25.549 1.00 37.07 ATOM 434 HE2 LYS 26 1.985 -7.801 27.186 1.00 0.51 ATOM 435 NZ LYS 26 0.692 -7.115 25.679 1.00 42.32 ATOM 436 HZ1 LYS 26 1.179 -6.202 25.575 1.00 31.43 ATOM 437 HZ2 LYS 26 -0.116 -6.990 26.324 1.00 41.32 ATOM 438 HZ3 LYS 26 0.335 -7.411 24.746 1.00 0.23 ATOM 439 C LYS 26 0.536 -13.871 26.149 1.00 43.01 ATOM 440 O LYS 26 0.416 -13.890 27.374 1.00 71.25 ATOM 441 N MET 27 0.111 -14.856 25.364 1.00 2.13 ATOM 442 HN MET 27 0.195 -14.778 24.394 1.00 37.07 ATOM 443 CA MET 27 -0.535 -16.043 25.911 1.00 22.41 ATOM 444 HA MET 27 -1.078 -15.764 26.808 1.00 12.22 ATOM 445 CB MET 27 -1.529 -16.620 24.901 1.00 25.41 ATOM 446 HB1 MET 27 -1.913 -17.555 25.292 1.00 37.07 ATOM 447 HB2 MET 27 -1.010 -16.817 23.979 1.00 11.34 ATOM 448 CG MET 27 -2.698 -15.696 24.604 1.00 73.33 ATOM 449 HG1 MET 27 -2.447 -15.082 23.760 1.00 37.07 ATOM 450 HG2 MET 27 -2.888 -15.063 25.462 1.00 53.51 ATOM 451 SD MET 27 -4.215 -16.595 24.225 1.00 64.23 ATOM 452 CE MET 27 -3.594 -17.849 23.107 1.00 72.45 ATOM 453 HE1 MET 27 -2.749 -17.464 22.557 1.00 0.01 ATOM 454 HE2 MET 27 -4.374 -18.131 22.415 1.00 12.15 ATOM 455 HE3 MET 27 -3.288 -18.716 23.675 1.00 44.31 ATOM 456 C MET 27 0.499 -17.101 26.286 1.00 51.21 ATOM 457 O MET 27 1.686 -16.950 26.000 1.00 72.20 ATOM 458 N ASN 28 0.039 -18.170 26.928 1.00 62.14 ATOM 459 HN ASN 28 -0.925 -18.244 27.124 1.00 37.07 ATOM 460 CA ASN 28 0.925 -19.252 27.342 1.00 31.01 ATOM 461 HA ASN 28 1.948 -18.886 27.330 1.00 54.42 ATOM 462 CB ASN 28 0.591 -19.695 28.768 1.00 14.20 ATOM 463 HB1 ASN 28 -0.357 -20.195 28.773 1.00 37.07 ATOM 464 HB2 ASN 28 0.529 -18.820 29.399 1.00 12.45 ATOM 465 CG ASN 28 1.643 -20.620 29.348 1.00 70.12 ATOM 466 OD1 ASN 28 2.619 -20.963 28.681 1.00 62.21 ATOM 467 ND2 ASN 28 1.448 -21.029 30.596 1.00 1.22 ATOM 468 HD21 ASN 28 0.648 -20.723 31.081 1.00 74.12 ATOM 469 HD22 ASN 28 2.118 -21.627 30.990 1.00 63.10 ATOM 470 C ASN 28 0.816 -20.439 26.390 1.00 32.32 ATOM 471 O ASN 28 -0.283 -20.845 26.010 1.00 72.05 ATOM 472 N LEU 29 1.962 -20.993 26.010 1.00 50.32 ATOM 473 HN LEU 29 2.816 -20.628 26.339 1.00 37.07 ATOM 474 CA LEU 29 1.996 -22.135 25.103 1.00 43.43 ATOM 475 HA LEU 29 0.988 -22.471 24.926 1.00 63.00 ATOM 476 CB LEU 29 2.610 -21.728 23.762 1.00 4.30 ATOM 477 HB1 LEU 29 2.310 -22.455 23.020 1.00 37.07 ATOM 478 HB2 LEU 29 3.692 -21.772 23.859 1.00 52.35 ATOM 479 CG LEU 29 2.244 -20.334 23.251 1.00 12.23 ATOM 480 HG LEU 29 2.420 -19.606 24.028 1.00 75.14 ATOM 481 CD1 LEU 29 3.116 -19.954 22.065 1.00 1.51 ATOM 482 HD11 LEU 29 4.134 -20.283 22.236 1.00 52.34 ATOM 483 HD12 LEU 29 3.119 -18.886 21.951 1.00 45.23 ATOM 484 HD13 LEU 29 2.742 -20.415 21.159 1.00 43.15 ATOM 485 CD2 LEU 29 0.771 -20.275 22.873 1.00 11.44 ATOM 486 HD21 LEU 29 0.164 -20.728 23.641 1.00 13.24 ATOM 487 HD22 LEU 29 0.620 -20.795 21.944 1.00 53.42 ATOM 488 HD23 LEU 29 0.477 -19.243 22.753 1.00 34.33 ATOM 489 C LEU 29 2.789 -23.288 25.709 1.00 62.11 ATOM 490 O LEU 29 3.645 -23.083 26.571 1.00 74.11 ATOM 491 N THR 30 2.501 -24.503 25.251 1.00 0.44 ATOM 492 HN THR 30 1.804 -24.604 24.560 1.00 37.07 ATOM 493 CA THR 30 3.187 -25.689 25.747 1.00 2.13 ATOM 494 HA THR 30 3.076 -25.721 26.824 1.00 51.55 ATOM 495 CB THR 30 2.574 -26.977 25.166 1.00 0.20 ATOM 496 HB THR 30 1.518 -26.972 25.369 1.00 14.22 ATOM 497 OG1 THR 30 3.161 -28.124 25.790 1.00 22.02 ATOM 498 HG1 THR 30 2.555 -28.868 25.736 1.00 21.52 ATOM 499 CG2 THR 30 2.788 -27.047 23.661 1.00 14.35 ATOM 500 HG21 THR 30 3.840 -27.034 23.423 1.00 13.01 ATOM 501 HG22 THR 30 2.298 -26.211 23.194 1.00 53.41 ATOM 502 HG23 THR 30 2.352 -27.962 23.287 1.00 42.50 ATOM 503 C THR 30 4.672 -25.648 25.406 1.00 4.22 ATOM 504 O THR 30 5.121 -24.788 24.648 1.00 2.00 ATOM 505 N ARG 31 5.430 -26.583 25.970 1.00 3.30 ATOM 506 HN ARG 31 5.011 -27.257 26.557 1.00 37.07 ATOM 507 CA ARG 31 6.866 -26.652 25.725 1.00 31.44 ATOM 508 HA ARG 31 7.240 -25.645 25.561 1.00 32.12 ATOM 509 CB ARG 31 7.584 -27.244 26.940 1.00 14.21 ATOM 510 HB1 ARG 31 8.605 -27.484 26.665 1.00 37.07 ATOM 511 HB2 ARG 31 7.085 -28.158 27.233 1.00 55.42 ATOM 512 CG ARG 31 7.641 -26.302 28.132 1.00 73.21 ATOM 513 HG1 ARG 31 7.822 -25.291 27.789 1.00 37.07 ATOM 514 HG2 ARG 31 8.453 -26.611 28.775 1.00 73.42 ATOM 515 CD ARG 31 6.346 -26.332 28.928 1.00 35.32 ATOM 516 HD1 ARG 31 5.944 -27.338 28.947 1.00 37.07 ATOM 517 HD2 ARG 31 5.636 -25.682 28.437 1.00 25.21 ATOM 518 NE ARG 31 6.533 -25.857 30.296 1.00 21.55 ATOM 519 HE ARG 31 6.260 -24.934 30.494 1.00 52.01 ATOM 520 CZ ARG 31 7.046 -26.603 31.269 1.00 10.32 ATOM 521 NH1 ARG 31 7.421 -27.851 31.025 1.00 12.12 ATOM 522 HH11 ARG 31 7.333 -28.257 30.119 1.00 70.33 ATOM 523 HH12 ARG 31 7.804 -28.405 31.768 1.00 12.51 ATOM 524 NH2 ARG 31 7.185 -26.099 32.489 1.00 23.40 ATOM 525 HH21 ARG 31 6.904 -25.156 32.680 1.00 40.23 ATOM 526 HH22 ARG 31 7.571 -26.659 33.225 1.00 1.03 ATOM 527 C ARG 31 7.166 -27.490 24.486 1.00 21.41 ATOM 528 O ARG 31 7.283 -28.713 24.564 1.00 54.42 ATOM 529 N GLY 32 7.290 -26.823 23.342 1.00 33.34 ATOM 530 HN GLY 32 7.202 -25.843 23.333 1.00 37.07 ATOM 531 CA GLY 32 7.574 -27.522 22.103 1.00 64.30 ATOM 532 HA1 GLY 32 7.906 -28.534 22.300 1.00 37.07 ATOM 533 HA2 GLY 32 8.369 -26.998 21.594 1.00 52.50 ATOM 534 C GLY 32 6.374 -27.576 21.179 1.00 61.22 ATOM 535 O GLY 32 6.144 -28.583 20.508 1.00 14.03 ATOM 536 N ILE 33 5.607 -26.492 21.144 1.00 10.11 ATOM 537 HN ILE 33 5.848 -25.707 21.685 1.00 37.07 ATOM 538 CA ILE 33 4.424 -26.421 20.296 1.00 52.31 ATOM 539 HA ILE 33 3.881 -27.357 20.400 1.00 25.23 ATOM 540 CB ILE 33 3.491 -25.273 20.726 1.00 41.12 ATOM 541 HB ILE 33 3.363 -25.316 21.783 1.00 62.33 ATOM 542 CG1 ILE 33 2.131 -25.408 20.039 1.00 54.31 ATOM 543 HG11 ILE 33 1.688 -26.357 20.307 1.00 37.07 ATOM 544 HG12 ILE 33 2.255 -25.363 18.969 1.00 71.22 ATOM 545 CG2 ILE 33 4.123 -23.927 20.402 1.00 61.40 ATOM 546 HG21 ILE 33 3.584 -23.142 20.906 1.00 40.13 ATOM 547 HG22 ILE 33 4.101 -23.745 19.340 1.00 71.42 ATOM 548 HG23 ILE 33 5.150 -23.912 20.740 1.00 42.55 ATOM 549 CD1 ILE 33 1.152 -24.318 20.417 1.00 42.21 ATOM 550 HD11 ILE 33 1.612 -23.549 21.016 1.00 10.43 ATOM 551 HD12 ILE 33 0.344 -24.757 20.981 1.00 11.11 ATOM 552 HD13 ILE 33 0.749 -23.880 19.520 1.00 61.22 ATOM 553 C ILE 33 4.807 -26.228 18.833 1.00 63.14 ATOM 554 O ILE 33 5.817 -25.598 18.523 1.00 43.20 ATOM 555 N ASN 34 3.992 -26.774 17.936 1.00 22.41 ATOM 556 HN ASN 34 3.191 -27.263 18.237 1.00 37.07 ATOM 557 CA ASN 34 4.245 -26.662 16.504 1.00 2.32 ATOM 558 HA ASN 34 5.199 -26.167 16.353 1.00 70.02 ATOM 559 CB ASN 34 4.300 -28.050 15.864 1.00 30.31 ATOM 560 HB1 ASN 34 3.309 -28.389 15.591 1.00 37.07 ATOM 561 HB2 ASN 34 4.712 -28.746 16.583 1.00 1.43 ATOM 562 CG ASN 34 5.192 -28.087 14.638 1.00 20.02 ATOM 563 OD1 ASN 34 6.414 -28.194 14.749 1.00 55.23 ATOM 564 ND2 ASN 34 4.584 -27.998 13.461 1.00 33.12 ATOM 565 HD21 ASN 34 3.623 -27.918 13.444 1.00 1.15 ATOM 566 HD22 ASN 34 5.139 -28.018 12.654 1.00 4.02 ATOM 567 C ASN 34 3.169 -25.819 15.826 1.00 21.03 ATOM 568 O ASN 34 2.389 -26.323 15.017 1.00 13.51 ATOM 569 N LEU 35 3.134 -24.534 16.161 1.00 34.03 ATOM 570 HN LEU 35 3.799 -24.191 16.803 1.00 37.07 ATOM 571 CA LEU 35 2.154 -23.620 15.585 1.00 53.13 ATOM 572 HA LEU 35 1.189 -23.901 15.950 1.00 72.15 ATOM 573 CB LEU 35 2.441 -22.185 16.031 1.00 62.22 ATOM 574 HB1 LEU 35 1.710 -21.528 15.574 1.00 37.07 ATOM 575 HB2 LEU 35 3.419 -21.925 15.645 1.00 11.20 ATOM 576 CG LEU 35 2.447 -21.940 17.540 1.00 25.11 ATOM 577 HG LEU 35 2.809 -22.815 18.050 1.00 40.32 ATOM 578 CD1 LEU 35 3.375 -20.787 17.890 1.00 53.53 ATOM 579 HD11 LEU 35 4.377 -21.013 17.552 1.00 51.04 ATOM 580 HD12 LEU 35 3.386 -20.643 18.962 1.00 14.11 ATOM 581 HD13 LEU 35 3.030 -19.881 17.410 1.00 51.21 ATOM 582 CD2 LEU 35 1.037 -21.664 18.041 1.00 24.14 ATOM 583 HD21 LEU 35 0.399 -22.505 17.808 1.00 42.51 ATOM 584 HD22 LEU 35 0.647 -20.775 17.564 1.00 1.32 ATOM 585 HD23 LEU 35 1.055 -21.518 19.112 1.00 11.33 ATOM 586 C LEU 35 2.162 -23.702 14.062 1.00 63.43 ATOM 587 O LEU 35 1.139 -23.486 13.413 1.00 73.23 ATOM 588 N ARG 36 3.324 -24.018 13.498 1.00 74.31 ATOM 589 HN ARG 36 4.128 -24.123 14.056 1.00 37.07 ATOM 590 CA ARG 36 3.465 -24.131 12.051 1.00 10.42 ATOM 591 HA ARG 36 3.324 -23.150 11.634 1.00 43.33 ATOM 592 CB ARG 36 4.859 -24.648 11.692 1.00 21.23 ATOM 593 HB1 ARG 36 4.854 -25.733 11.698 1.00 37.07 ATOM 594 HB2 ARG 36 5.563 -24.303 12.439 1.00 42.42 ATOM 595 CG ARG 36 5.358 -24.167 10.339 1.00 32.25 ATOM 596 HG1 ARG 36 5.681 -23.140 10.431 1.00 37.07 ATOM 597 HG2 ARG 36 4.555 -24.233 9.618 1.00 43.20 ATOM 598 CD ARG 36 6.521 -25.011 9.842 1.00 20.03 ATOM 599 HD1 ARG 36 6.132 -25.935 9.440 1.00 37.07 ATOM 600 HD2 ARG 36 7.178 -25.229 10.677 1.00 31.13 ATOM 601 NE ARG 36 7.289 -24.327 8.805 1.00 22.52 ATOM 602 HE ARG 36 6.908 -23.507 8.413 1.00 40.43 ATOM 603 CZ ARG 36 8.467 -24.753 8.363 1.00 44.51 ATOM 604 NH1 ARG 36 9.010 -25.854 8.864 1.00 14.44 ATOM 605 HH11 ARG 36 8.553 -26.385 9.574 1.00 54.01 ATOM 606 HH12 ARG 36 9.900 -26.165 8.524 1.00 65.22 ATOM 607 NH2 ARG 36 9.106 -24.076 7.417 1.00 54.15 ATOM 608 HH21 ARG 36 8.702 -23.243 7.034 1.00 52.51 ATOM 609 HH22 ARG 36 9.995 -24.395 7.082 1.00 21.45 ATOM 610 C ARG 36 2.401 -25.058 11.471 1.00 23.33 ATOM 611 O ARG 36 1.817 -24.774 10.425 1.00 25.42 ATOM 612 N LYS 37 2.155 -26.169 12.157 1.00 32.15 ATOM 613 HN LYS 37 2.632 -26.329 12.999 1.00 37.07 ATOM 614 CA LYS 37 1.162 -27.139 11.713 1.00 75.35 ATOM 615 HA LYS 37 1.336 -27.351 10.665 1.00 5.15 ATOM 616 CB LYS 37 1.301 -28.442 12.504 1.00 52.14 ATOM 617 HB1 LYS 37 1.331 -28.217 13.556 1.00 37.07 ATOM 618 HB2 LYS 37 2.234 -28.909 12.221 1.00 24.01 ATOM 619 CG LYS 37 0.190 -29.441 12.230 1.00 64.51 ATOM 620 HG1 LYS 37 0.602 -30.439 12.299 1.00 37.07 ATOM 621 HG2 LYS 37 -0.193 -29.289 11.227 1.00 14.24 ATOM 622 CD LYS 37 -0.955 -29.287 13.217 1.00 63.13 ATOM 623 HD1 LYS 37 -1.868 -29.327 12.666 1.00 37.07 ATOM 624 HD2 LYS 37 -0.888 -28.344 13.733 1.00 72.55 ATOM 625 CE LYS 37 -0.954 -30.403 14.250 1.00 74.52 ATOM 626 HE1 LYS 37 -1.442 -30.044 15.144 1.00 37.07 ATOM 627 HE2 LYS 37 0.064 -30.683 14.487 1.00 43.44 ATOM 628 NZ LYS 37 -1.678 -31.610 13.762 1.00 20.34 ATOM 629 HZ1 LYS 37 -1.227 -31.978 12.898 1.00 41.41 ATOM 630 HZ2 LYS 37 -2.670 -31.377 13.550 1.00 2.13 ATOM 631 HZ3 LYS 37 -1.659 -32.353 14.490 1.00 60.43 ATOM 632 C LYS 37 -0.250 -26.584 11.871 1.00 34.32 ATOM 633 O LYS 37 -1.147 -26.914 11.095 1.00 55.54 ATOM 634 N ILE 38 -0.440 -25.741 12.880 1.00 4.41 ATOM 635 HN ILE 38 0.313 -25.512 13.454 1.00 37.07 ATOM 636 CA ILE 38 -1.742 -25.139 13.138 1.00 42.53 ATOM 637 HA ILE 38 -2.459 -25.938 13.280 1.00 34.13 ATOM 638 CB ILE 38 -1.718 -24.268 14.408 1.00 50.43 ATOM 639 HB ILE 38 -1.097 -23.404 14.227 1.00 54.55 ATOM 640 CG1 ILE 38 -1.137 -25.057 15.583 1.00 54.11 ATOM 641 HG11 ILE 38 -1.140 -24.443 16.467 1.00 37.07 ATOM 642 HG12 ILE 38 -0.122 -25.334 15.364 1.00 24.22 ATOM 643 CG2 ILE 38 -3.118 -23.771 14.736 1.00 32.50 ATOM 644 HG21 ILE 38 -3.795 -24.603 14.848 1.00 24.33 ATOM 645 HG22 ILE 38 -3.473 -23.130 13.944 1.00 35.25 ATOM 646 HG23 ILE 38 -3.094 -23.204 15.649 1.00 64.11 ATOM 647 CD1 ILE 38 -1.892 -26.333 15.886 1.00 42.44 ATOM 648 HD11 ILE 38 -2.920 -26.262 15.579 1.00 30.54 ATOM 649 HD12 ILE 38 -1.861 -26.524 16.943 1.00 0.30 ATOM 650 HD13 ILE 38 -1.429 -27.149 15.366 1.00 41.11 ATOM 651 C ILE 38 -2.196 -24.285 11.958 1.00 31.42 ATOM 652 O ILE 38 -3.309 -24.443 11.457 1.00 21.12 ATOM 653 N ALA 39 -1.326 -23.382 11.519 1.00 61.25 ATOM 654 HN ALA 39 -0.448 -23.301 11.965 1.00 37.07 ATOM 655 CA ALA 39 -1.636 -22.507 10.395 1.00 2.52 ATOM 656 HA ALA 39 -2.494 -21.907 10.663 1.00 54.35 ATOM 657 CB ALA 39 -0.472 -21.564 10.124 1.00 35.11 ATOM 658 HB1 ALA 39 0.458 -22.112 10.188 1.00 53.33 ATOM 659 HB2 ALA 39 -0.472 -20.774 10.860 1.00 53.14 ATOM 660 HB3 ALA 39 -0.561 -21.134 9.139 1.00 14.35 ATOM 661 C ALA 39 -1.967 -23.314 9.145 1.00 74.02 ATOM 662 O ALA 39 -2.845 -22.939 8.368 1.00 32.33 ATOM 663 N GLU 40 -1.259 -24.423 8.957 1.00 62.01 ATOM 664 HN GLU 40 -0.556 -24.666 9.604 1.00 37.07 ATOM 665 CA GLU 40 -1.478 -25.282 7.799 1.00 11.21 ATOM 666 HA GLU 40 -1.329 -24.685 6.907 1.00 24.03 ATOM 667 CB GLU 40 -0.486 -26.447 7.805 1.00 41.41 ATOM 668 HB1 GLU 40 -0.978 -27.335 7.421 1.00 37.07 ATOM 669 HB2 GLU 40 -0.169 -26.644 8.820 1.00 31.01 ATOM 670 CG GLU 40 0.755 -26.194 6.965 1.00 54.33 ATOM 671 HG1 GLU 40 1.426 -25.568 7.533 1.00 37.07 ATOM 672 HG2 GLU 40 0.476 -25.690 6.050 1.00 30.21 ATOM 673 CD GLU 40 1.485 -27.472 6.603 1.00 31.51 ATOM 674 OE1 GLU 40 2.726 -27.504 6.738 1.00 62.33 ATOM 675 OE2 GLU 40 0.816 -28.441 6.186 1.00 41.34 ATOM 676 C GLU 40 -2.907 -25.817 7.781 1.00 12.34 ATOM 677 O GLU 40 -3.553 -25.861 6.733 1.00 23.22 ATOM 678 N LEU 41 -3.395 -26.222 8.948 1.00 31.44 ATOM 679 HN LEU 41 -2.828 -26.175 9.754 1.00 37.07 ATOM 680 CA LEU 41 -4.748 -26.755 9.069 1.00 62.34 ATOM 681 HA LEU 41 -4.828 -27.618 8.425 1.00 32.40 ATOM 682 CB LEU 41 -5.022 -27.185 10.511 1.00 65.01 ATOM 683 HB1 LEU 41 -6.063 -27.477 10.595 1.00 37.07 ATOM 684 HB2 LEU 41 -4.864 -26.322 11.144 1.00 30.42 ATOM 685 CG LEU 41 -4.162 -28.332 11.044 1.00 11.22 ATOM 686 HG LEU 41 -3.127 -28.111 10.863 1.00 60.42 ATOM 687 CD1 LEU 41 -4.354 -28.490 12.544 1.00 35.14 ATOM 688 HD11 LEU 41 -3.936 -27.633 13.050 1.00 61.25 ATOM 689 HD12 LEU 41 -3.861 -29.386 12.891 1.00 24.13 ATOM 690 HD13 LEU 41 -5.409 -28.559 12.772 1.00 41.44 ATOM 691 CD2 LEU 41 -4.496 -29.629 10.322 1.00 31.00 ATOM 692 HD21 LEU 41 -4.296 -29.520 9.266 1.00 25.40 ATOM 693 HD22 LEU 41 -5.540 -29.870 10.466 1.00 53.42 ATOM 694 HD23 LEU 41 -3.887 -30.431 10.716 1.00 15.40 ATOM 695 C LEU 41 -5.781 -25.723 8.629 1.00 42.22 ATOM 696 O LEU 41 -6.887 -26.073 8.218 1.00 64.12 ATOM 697 N MET 42 -5.411 -24.449 8.716 1.00 34.23 ATOM 698 HN MET 42 -4.524 -24.220 9.040 1.00 37.07 ATOM 699 CA MET 42 -6.305 -23.366 8.324 1.00 53.11 ATOM 700 HA MET 42 -7.273 -23.775 8.081 1.00 73.53 ATOM 701 CB MET 42 -6.497 -22.388 9.485 1.00 30.30 ATOM 702 HB1 MET 42 -7.134 -22.838 10.213 1.00 37.07 ATOM 703 HB2 MET 42 -6.982 -21.497 9.113 1.00 41.51 ATOM 704 CG MET 42 -5.196 -21.984 10.160 1.00 35.23 ATOM 705 HG1 MET 42 -4.594 -21.421 9.467 1.00 37.07 ATOM 706 HG2 MET 42 -4.666 -22.861 10.463 1.00 53.44 ATOM 707 SD MET 42 -5.462 -20.977 11.632 1.00 42.53 ATOM 708 CE MET 42 -6.505 -19.680 10.970 1.00 11.53 ATOM 709 HE1 MET 42 -6.501 -18.843 11.638 1.00 1.13 ATOM 710 HE2 MET 42 -7.513 -20.047 10.854 1.00 62.22 ATOM 711 HE3 MET 42 -6.120 -19.375 10.014 1.00 42.15 ATOM 712 C MET 42 -5.761 -22.626 7.106 1.00 72.32 ATOM 713 O MET 42 -5.279 -21.497 7.199 1.00 34.24 ATOM 714 N PRO 43 -5.838 -23.276 5.935 1.00 54.22 ATOM 715 CA PRO 43 -5.359 -22.698 4.676 1.00 44.21 ATOM 716 HA PRO 43 -4.335 -22.375 4.761 1.00 31.13 ATOM 717 CB PRO 43 -5.445 -23.868 3.693 1.00 52.23 ATOM 718 HB1 PRO 43 -4.492 -24.373 3.657 1.00 37.07 ATOM 719 HB2 PRO 43 -5.706 -23.520 2.700 1.00 64.30 ATOM 720 CG PRO 43 -6.499 -24.758 4.255 1.00 54.22 ATOM 721 HG1 PRO 43 -6.314 -25.780 3.958 1.00 37.07 ATOM 722 HG2 PRO 43 -7.472 -24.437 3.913 1.00 5.21 ATOM 723 CD PRO 43 -6.401 -24.624 5.749 1.00 25.13 ATOM 724 HD1 PRO 43 -5.744 -25.375 6.128 1.00 37.07 ATOM 725 HD2 PRO 43 -7.380 -24.709 6.194 1.00 22.55 ATOM 726 C PRO 43 -6.228 -21.538 4.202 1.00 61.21 ATOM 727 O PRO 43 -7.434 -21.515 4.442 1.00 33.41 ATOM 728 N GLY 44 -5.607 -20.576 3.526 1.00 24.14 ATOM 729 HN GLY 44 -4.640 -20.638 3.357 1.00 37.07 ATOM 730 CA GLY 44 -6.340 -19.427 3.029 1.00 3.30 ATOM 731 HA1 GLY 44 -7.003 -19.749 2.239 1.00 37.07 ATOM 732 HA2 GLY 44 -5.637 -18.713 2.626 1.00 64.31 ATOM 733 C GLY 44 -7.159 -18.750 4.110 1.00 50.42 ATOM 734 O GLY 44 -8.349 -18.494 3.928 1.00 60.24 ATOM 735 N ALA 45 -6.521 -18.460 5.239 1.00 14.42 ATOM 736 HN ALA 45 -5.564 -18.679 5.330 1.00 37.07 ATOM 737 CA ALA 45 -7.199 -17.808 6.353 1.00 21.13 ATOM 738 HA ALA 45 -8.267 -17.792 6.158 1.00 14.41 ATOM 739 CB ALA 45 -6.993 -18.603 7.634 1.00 4.12 ATOM 740 HB1 ALA 45 -5.942 -18.624 7.885 1.00 11.35 ATOM 741 HB2 ALA 45 -7.346 -19.613 7.488 1.00 74.20 ATOM 742 HB3 ALA 45 -7.547 -18.144 8.441 1.00 55.12 ATOM 743 C ALA 45 -6.708 -16.376 6.532 1.00 2.44 ATOM 744 O ALA 45 -5.511 -16.135 6.688 1.00 43.53 ATOM 745 N SER 46 -7.640 -15.428 6.509 1.00 23.10 ATOM 746 HN SER 46 -8.587 -15.682 6.396 1.00 37.07 ATOM 747 CA SER 46 -7.301 -14.018 6.664 1.00 24.44 ATOM 748 HA SER 46 -6.441 -13.802 6.041 1.00 43.41 ATOM 749 CB SER 46 -8.466 -13.138 6.209 1.00 72.53 ATOM 750 HB1 SER 46 -8.180 -12.097 6.274 1.00 37.07 ATOM 751 HB2 SER 46 -9.324 -13.316 6.842 1.00 32.14 ATOM 752 OG SER 46 -8.828 -13.425 4.869 1.00 73.30 ATOM 753 HG SER 46 -9.423 -12.745 4.545 1.00 1.04 ATOM 754 C SER 46 -6.946 -13.702 8.114 1.00 1.50 ATOM 755 O SER 46 -7.103 -14.540 9.001 1.00 52.42 ATOM 756 N GLY 47 -6.466 -12.484 8.347 1.00 45.33 ATOM 757 HN GLY 47 -6.359 -11.847 7.605 1.00 37.07 ATOM 758 CA GLY 47 -6.095 -12.076 9.689 1.00 33.35 ATOM 759 HA1 GLY 47 -5.749 -11.054 9.662 1.00 37.07 ATOM 760 HA2 GLY 47 -5.296 -12.708 10.036 1.00 1.54 ATOM 761 C GLY 47 -7.251 -12.178 10.665 1.00 23.04 ATOM 762 O GLY 47 -7.053 -12.475 11.843 1.00 3.42 ATOM 763 N ALA 48 -8.461 -11.930 10.175 1.00 2.23 ATOM 764 HN ALA 48 -8.562 -11.684 9.225 1.00 37.07 ATOM 765 CA ALA 48 -9.652 -11.995 11.012 1.00 33.35 ATOM 766 HA ALA 48 -9.505 -11.344 11.865 1.00 11.24 ATOM 767 CB ALA 48 -10.865 -11.491 10.245 1.00 51.32 ATOM 768 HB1 ALA 48 -10.682 -10.480 9.912 1.00 41.25 ATOM 769 HB2 ALA 48 -11.735 -11.504 10.887 1.00 34.20 ATOM 770 HB3 ALA 48 -11.041 -12.123 9.387 1.00 64.35 ATOM 771 C ALA 48 -9.894 -13.415 11.513 1.00 21.22 ATOM 772 O ALA 48 -10.240 -13.622 12.676 1.00 64.11 ATOM 773 N GLU 49 -9.710 -14.390 10.628 1.00 53.54 ATOM 774 HN GLU 49 -9.434 -14.165 9.708 1.00 37.07 ATOM 775 CA GLU 49 -9.910 -15.790 10.981 1.00 15.01 ATOM 776 HA GLU 49 -10.905 -15.895 11.398 1.00 22.12 ATOM 777 CB GLU 49 -9.792 -16.675 9.738 1.00 0.33 ATOM 778 HB1 GLU 49 -9.608 -17.698 10.045 1.00 37.07 ATOM 779 HB2 GLU 49 -8.952 -16.341 9.143 1.00 34.32 ATOM 780 CG GLU 49 -11.041 -16.679 8.873 1.00 42.22 ATOM 781 HG1 GLU 49 -11.918 -16.700 9.507 1.00 37.07 ATOM 782 HG2 GLU 49 -11.028 -17.567 8.258 1.00 74.41 ATOM 783 CD GLU 49 -11.125 -15.467 7.965 1.00 72.54 ATOM 784 OE1 GLU 49 -11.485 -14.379 8.460 1.00 31.14 ATOM 785 OE2 GLU 49 -10.832 -15.607 6.759 1.00 30.50 ATOM 786 C GLU 49 -8.900 -16.235 12.034 1.00 24.10 ATOM 787 O GLU 49 -9.240 -16.956 12.972 1.00 12.33 ATOM 788 N VAL 50 -7.654 -15.801 11.871 1.00 41.02 ATOM 789 HN VAL 50 -7.444 -15.215 11.108 1.00 37.07 ATOM 790 CA VAL 50 -6.593 -16.154 12.806 1.00 3.55 ATOM 791 HA VAL 50 -6.509 -17.227 12.837 1.00 55.52 ATOM 792 CB VAL 50 -5.237 -15.574 12.362 1.00 42.14 ATOM 793 HB VAL 50 -5.321 -14.496 12.320 1.00 4.02 ATOM 794 CG1 VAL 50 -4.150 -15.927 13.365 1.00 2.03 ATOM 795 HG11 VAL 50 -4.274 -16.953 13.683 1.00 34.21 ATOM 796 HG12 VAL 50 -4.221 -15.275 14.222 1.00 53.11 ATOM 797 HG13 VAL 50 -3.179 -15.815 12.917 1.00 72.43 ATOM 798 CG2 VAL 50 -4.874 -16.075 10.972 1.00 41.11 ATOM 799 HG21 VAL 50 -5.622 -15.779 10.265 1.00 54.33 ATOM 800 HG22 VAL 50 -4.803 -17.153 10.982 1.00 14.25 ATOM 801 HG23 VAL 50 -3.922 -15.661 10.676 1.00 62.11 ATOM 802 C VAL 50 -6.910 -15.654 14.211 1.00 13.23 ATOM 803 O VAL 50 -6.721 -16.370 15.195 1.00 43.31 ATOM 804 N LYS 51 -7.396 -14.420 14.299 1.00 65.02 ATOM 805 HN LYS 51 -7.513 -13.886 13.477 1.00 37.07 ATOM 806 CA LYS 51 -7.742 -13.823 15.583 1.00 12.10 ATOM 807 HA LYS 51 -6.826 -13.704 16.146 1.00 3.55 ATOM 808 CB LYS 51 -8.391 -12.453 15.373 1.00 0.22 ATOM 809 HB1 LYS 51 -9.446 -12.581 15.159 1.00 37.07 ATOM 810 HB2 LYS 51 -7.927 -11.991 14.514 1.00 22.44 ATOM 811 CG LYS 51 -8.261 -11.528 16.571 1.00 22.33 ATOM 812 HG1 LYS 51 -7.326 -11.723 17.086 1.00 37.07 ATOM 813 HG2 LYS 51 -9.084 -11.719 17.243 1.00 72.35 ATOM 814 CD LYS 51 -8.306 -10.067 16.156 1.00 71.42 ATOM 815 HD1 LYS 51 -8.435 -9.461 17.041 1.00 37.07 ATOM 816 HD2 LYS 51 -9.140 -9.905 15.486 1.00 71.05 ATOM 817 CE LYS 51 -7.021 -9.646 15.459 1.00 12.14 ATOM 818 HE1 LYS 51 -6.952 -10.153 14.510 1.00 37.07 ATOM 819 HE2 LYS 51 -6.176 -9.921 16.075 1.00 21.20 ATOM 820 NZ LYS 51 -6.976 -8.177 15.220 1.00 11.24 ATOM 821 HZ1 LYS 51 -7.029 -7.661 16.123 1.00 22.44 ATOM 822 HZ2 LYS 51 -7.773 -7.883 14.617 1.00 44.23 ATOM 823 HZ3 LYS 51 -6.087 -7.923 14.743 1.00 4.23 ATOM 824 C LYS 51 -8.686 -14.729 16.367 1.00 23.14 ATOM 825 O LYS 51 -8.583 -14.841 17.588 1.00 4.22 ATOM 826 N GLY 52 -9.605 -15.376 15.657 1.00 62.10 ATOM 827 HN GLY 52 -9.665 -15.247 14.685 1.00 37.07 ATOM 828 CA GLY 52 -10.552 -16.265 16.304 1.00 70.23 ATOM 829 HA1 GLY 52 -11.338 -16.500 15.602 1.00 37.07 ATOM 830 HA2 GLY 52 -10.991 -15.767 17.160 1.00 73.42 ATOM 831 C GLY 52 -9.911 -17.560 16.763 1.00 14.11 ATOM 832 O GLY 52 -10.262 -18.095 17.815 1.00 64.52 ATOM 833 N VAL 53 -8.970 -18.066 15.972 1.00 14.02 ATOM 834 HN VAL 53 -8.730 -17.593 15.141 1.00 37.07 ATOM 835 CA VAL 53 -8.280 -19.307 16.303 1.00 4.41 ATOM 836 HA VAL 53 -9.019 -20.097 16.370 1.00 44.00 ATOM 837 CB VAL 53 -7.259 -19.688 15.214 1.00 33.52 ATOM 838 HB VAL 53 -6.518 -18.903 15.145 1.00 24.13 ATOM 839 CG1 VAL 53 -6.548 -20.982 15.579 1.00 23.32 ATOM 840 HG11 VAL 53 -5.919 -20.828 16.442 1.00 43.54 ATOM 841 HG12 VAL 53 -5.929 -21.303 14.751 1.00 15.24 ATOM 842 HG13 VAL 53 -7.276 -21.752 15.797 1.00 53.11 ATOM 843 CG2 VAL 53 -7.945 -19.811 13.862 1.00 42.43 ATOM 844 HG21 VAL 53 -7.573 -20.663 13.326 1.00 35.32 ATOM 845 HG22 VAL 53 -7.760 -18.922 13.292 1.00 63.11 ATOM 846 HG23 VAL 53 -9.009 -19.924 13.990 1.00 40.44 ATOM 847 C VAL 53 -7.559 -19.194 17.642 1.00 34.31 ATOM 848 O VAL 53 -7.746 -20.027 18.531 1.00 40.54 ATOM 849 N CYS 54 -6.737 -18.161 17.780 1.00 43.40 ATOM 850 HN CYS 54 -6.630 -17.528 17.030 1.00 37.07 ATOM 851 CA CYS 54 -5.987 -17.939 19.012 1.00 51.15 ATOM 852 HA CYS 54 -5.321 -18.782 19.142 1.00 32.13 ATOM 853 CB CYS 54 -5.169 -16.651 18.910 1.00 24.11 ATOM 854 HB1 CYS 54 -5.760 -15.805 19.239 1.00 37.07 ATOM 855 HB2 CYS 54 -4.883 -16.494 17.879 1.00 44.14 ATOM 856 SG CYS 54 -3.644 -16.667 19.881 1.00 24.24 ATOM 857 HG CYS 54 -3.873 -16.018 21.013 1.00 1.21 ATOM 858 C CYS 54 -6.924 -17.867 20.213 1.00 52.02 ATOM 859 O CYS 54 -6.728 -18.562 21.210 1.00 31.22 ATOM 860 N THR 55 -7.944 -17.020 20.112 1.00 43.42 ATOM 861 HN THR 55 -8.049 -16.488 19.287 1.00 37.07 ATOM 862 CA THR 55 -8.910 -16.854 21.190 1.00 23.14 ATOM 863 HA THR 55 -8.384 -16.448 22.046 1.00 71.52 ATOM 864 CB THR 55 -10.031 -15.875 20.795 1.00 40.21 ATOM 865 HB THR 55 -10.666 -16.345 20.052 1.00 54.54 ATOM 866 OG1 THR 55 -9.467 -14.685 20.232 1.00 25.13 ATOM 867 HG1 THR 55 -9.429 -14.764 19.275 1.00 30.15 ATOM 868 CG2 THR 55 -10.886 -15.515 22.001 1.00 62.42 ATOM 869 HG21 THR 55 -11.406 -16.392 22.356 1.00 60.12 ATOM 870 HG22 THR 55 -11.608 -14.765 21.714 1.00 0.41 ATOM 871 HG23 THR 55 -10.259 -15.123 22.790 1.00 73.31 ATOM 872 C THR 55 -9.532 -18.190 21.581 1.00 4.22 ATOM 873 O THR 55 -9.724 -18.472 22.763 1.00 31.42 ATOM 874 N GLU 56 -9.843 -19.008 20.581 1.00 51.24 ATOM 875 HN GLU 56 -9.674 -18.725 19.651 1.00 37.07 ATOM 876 CA GLU 56 -10.444 -20.314 20.822 1.00 63.52 ATOM 877 HA GLU 56 -11.315 -20.168 21.443 1.00 74.45 ATOM 878 CB GLU 56 -10.850 -20.966 19.498 1.00 0.12 ATOM 879 HB1 GLU 56 -10.803 -22.039 19.592 1.00 37.07 ATOM 880 HB2 GLU 56 -10.168 -20.649 18.727 1.00 14.03 ATOM 881 CG GLU 56 -12.258 -20.609 19.051 1.00 23.20 ATOM 882 HG1 GLU 56 -12.457 -21.099 18.109 1.00 37.07 ATOM 883 HG2 GLU 56 -12.319 -19.539 18.918 1.00 62.33 ATOM 884 CD GLU 56 -13.313 -21.036 20.052 1.00 15.34 ATOM 885 OE1 GLU 56 -13.627 -22.243 20.107 1.00 71.12 ATOM 886 OE2 GLU 56 -13.826 -20.161 20.782 1.00 21.00 ATOM 887 C GLU 56 -9.479 -21.226 21.575 1.00 71.01 ATOM 888 O GLU 56 -9.868 -21.915 22.518 1.00 44.23 ATOM 889 N ALA 57 -8.220 -21.224 21.151 1.00 64.43 ATOM 890 HN ALA 57 -7.969 -20.663 20.378 1.00 37.07 ATOM 891 CA ALA 57 -7.199 -22.049 21.785 1.00 61.31 ATOM 892 HA ALA 57 -7.428 -23.081 21.584 1.00 44.33 ATOM 893 CB ALA 57 -5.832 -21.752 21.186 1.00 54.53 ATOM 894 HB1 ALA 57 -5.165 -22.566 21.409 1.00 22.11 ATOM 895 HB2 ALA 57 -5.434 -20.832 21.595 1.00 24.42 ATOM 896 HB3 ALA 57 -5.923 -21.654 20.113 1.00 2.02 ATOM 897 C ALA 57 -7.176 -21.831 23.294 1.00 41.31 ATOM 898 O ALA 57 -7.005 -22.774 24.065 1.00 0.10 ATOM 899 N GLY 58 -7.349 -20.579 23.709 1.00 63.31 ATOM 900 HN GLY 58 -7.468 -19.851 23.059 1.00 37.07 ATOM 901 CA GLY 58 -7.344 -20.260 25.125 1.00 45.15 ATOM 902 HA1 GLY 58 -7.292 -19.187 25.236 1.00 37.07 ATOM 903 HA2 GLY 58 -6.471 -20.698 25.592 1.00 42.15 ATOM 904 C GLY 58 -8.585 -20.760 25.836 1.00 23.34 ATOM 905 O GLY 58 -8.561 -21.002 27.043 1.00 72.22 ATOM 906 N MET 59 -9.672 -20.914 25.088 1.00 34.44 ATOM 907 HN MET 59 -9.645 -20.682 24.139 1.00 37.07 ATOM 908 CA MET 59 -10.929 -21.389 25.656 1.00 0.22 ATOM 909 HA MET 59 -11.107 -20.855 26.575 1.00 4.21 ATOM 910 CB MET 59 -12.084 -21.120 24.689 1.00 22.43 ATOM 911 HB1 MET 59 -13.008 -21.451 25.145 1.00 37.07 ATOM 912 HB2 MET 59 -11.922 -21.696 23.788 1.00 14.32 ATOM 913 CG MET 59 -12.214 -19.660 24.289 1.00 51.13 ATOM 914 HG1 MET 59 -12.434 -19.614 23.234 1.00 37.07 ATOM 915 HG2 MET 59 -11.291 -19.135 24.481 1.00 63.34 ATOM 916 SD MET 59 -13.535 -18.811 25.176 1.00 24.41 ATOM 917 CE MET 59 -13.051 -19.115 26.874 1.00 42.52 ATOM 918 HE1 MET 59 -13.692 -18.553 27.537 1.00 31.22 ATOM 919 HE2 MET 59 -12.026 -18.807 27.017 1.00 30.52 ATOM 920 HE3 MET 59 -13.144 -20.169 27.092 1.00 63.41 ATOM 921 C MET 59 -10.853 -22.878 25.975 1.00 33.53 ATOM 922 O MET 59 -11.389 -23.335 26.986 1.00 53.35 ATOM 923 N TYR 60 -10.185 -23.631 25.108 1.00 33.34 ATOM 924 HN TYR 60 -9.782 -23.215 24.310 1.00 37.07 ATOM 925 CA TYR 60 -10.042 -25.070 25.297 1.00 73.01 ATOM 926 HA TYR 60 -11.025 -25.489 25.464 1.00 55.13 ATOM 927 CB TYR 60 -9.444 -25.713 24.044 1.00 1.35 ATOM 928 HB1 TYR 60 -9.270 -26.766 24.232 1.00 37.07 ATOM 929 HB2 TYR 60 -8.497 -25.238 23.824 1.00 37.07 ATOM 930 CG TYR 60 -10.333 -25.607 22.826 1.00 31.41 ATOM 931 CD1 TYR 60 -9.967 -24.821 21.741 1.00 51.22 ATOM 932 HD1 TYR 60 -9.038 -24.283 21.773 1.00 15.30 ATOM 933 CD2 TYR 60 -11.539 -26.294 22.761 1.00 54.55 ATOM 934 HD2 TYR 60 -11.842 -26.911 23.596 1.00 64.35 ATOM 935 CE1 TYR 60 -10.777 -24.721 20.626 1.00 45.13 ATOM 936 HE1 TYR 60 -10.480 -24.109 19.811 1.00 40.54 ATOM 937 CE2 TYR 60 -12.354 -26.201 21.649 1.00 14.20 ATOM 938 HE2 TYR 60 -13.287 -26.743 21.617 1.00 73.33 ATOM 939 CZ TYR 60 -11.969 -25.413 20.584 1.00 22.24 ATOM 940 OH TYR 60 -12.779 -25.317 19.476 1.00 64.01 ATOM 941 HH TYR 60 -12.909 -24.393 19.237 1.00 63.55 ATOM 942 C TYR 60 -9.166 -25.376 26.508 1.00 61.44 ATOM 943 O TYR 60 -9.391 -26.355 27.219 1.00 42.00 ATOM 944 N ALA 61 -8.166 -24.531 26.735 1.00 61.10 ATOM 945 HN ALA 61 -8.023 -23.768 26.127 1.00 37.07 ATOM 946 CA ALA 61 -7.257 -24.708 27.860 1.00 24.42 ATOM 947 HA ALA 61 -6.931 -25.742 27.878 1.00 65.12 ATOM 948 CB ALA 61 -6.022 -23.836 27.684 1.00 34.11 ATOM 949 HB1 ALA 61 -5.329 -24.019 28.493 1.00 64.14 ATOM 950 HB2 ALA 61 -6.309 -22.794 27.683 1.00 72.53 ATOM 951 HB3 ALA 61 -5.546 -24.076 26.745 1.00 41.24 ATOM 952 C ALA 61 -7.949 -24.389 29.181 1.00 44.31 ATOM 953 O ALA 61 -7.794 -25.112 30.166 1.00 60.22 ATOM 954 N LEU 62 -8.711 -23.301 29.196 1.00 71.13 ATOM 955 HN LEU 62 -8.788 -22.751 28.380 1.00 37.07 ATOM 956 CA LEU 62 -9.427 -22.885 30.397 1.00 50.24 ATOM 957 HA LEU 62 -8.697 -22.696 31.174 1.00 51.23 ATOM 958 CB LEU 62 -10.216 -21.603 30.125 1.00 1.43 ATOM 959 HB1 LEU 62 -11.084 -21.577 30.777 1.00 37.07 ATOM 960 HB2 LEU 62 -10.578 -21.655 29.104 1.00 25.52 ATOM 961 CG LEU 62 -9.448 -20.292 30.302 1.00 71.11 ATOM 962 HG LEU 62 -8.428 -20.423 29.965 1.00 5.23 ATOM 963 CD1 LEU 62 -10.073 -19.190 29.461 1.00 43.14 ATOM 964 HD11 LEU 62 -11.093 -19.021 29.779 1.00 64.51 ATOM 965 HD12 LEU 62 -10.065 -19.481 28.420 1.00 30.02 ATOM 966 HD13 LEU 62 -9.505 -18.277 29.579 1.00 75.13 ATOM 967 CD2 LEU 62 -9.411 -19.889 31.769 1.00 63.40 ATOM 968 HD21 LEU 62 -10.418 -19.734 32.131 1.00 61.22 ATOM 969 HD22 LEU 62 -8.845 -18.974 31.880 1.00 4.03 ATOM 970 HD23 LEU 62 -8.938 -20.671 32.348 1.00 74.31 ATOM 971 C LEU 62 -10.370 -23.983 30.877 1.00 61.41 ATOM 972 O LEU 62 -10.331 -24.383 32.041 1.00 71.55 ATOM 973 N ARG 63 -11.214 -24.468 29.973 1.00 74.45 ATOM 974 HN ARG 63 -11.197 -24.106 29.054 1.00 37.07 ATOM 975 CA ARG 63 -12.166 -25.522 30.304 1.00 54.33 ATOM 976 HA ARG 63 -12.825 -25.149 31.076 1.00 35.35 ATOM 977 CB ARG 63 -13.002 -25.887 29.076 1.00 75.32 ATOM 978 HB1 ARG 63 -13.468 -24.989 28.696 1.00 37.07 ATOM 979 HB2 ARG 63 -13.776 -26.580 29.382 1.00 32.02 ATOM 980 CG ARG 63 -12.193 -26.515 27.953 1.00 72.02 ATOM 981 HG1 ARG 63 -11.489 -27.233 28.337 1.00 37.07 ATOM 982 HG2 ARG 63 -11.669 -25.732 27.449 1.00 35.52 ATOM 983 CD ARG 63 -13.090 -27.215 26.944 1.00 71.02 ATOM 984 HD1 ARG 63 -12.542 -27.318 26.018 1.00 37.07 ATOM 985 HD2 ARG 63 -13.975 -26.616 26.767 1.00 14.42 ATOM 986 NE ARG 63 -13.494 -28.542 27.399 1.00 34.43 ATOM 987 HE ARG 63 -13.180 -28.842 28.284 1.00 0.44 ATOM 988 CZ ARG 63 -14.259 -29.362 26.687 1.00 33.41 ATOM 989 NH1 ARG 63 -14.700 -28.993 25.492 1.00 1.04 ATOM 990 HH11 ARG 63 -14.469 -28.101 25.106 1.00 64.41 ATOM 991 HH12 ARG 63 -15.277 -29.618 24.961 1.00 43.24 ATOM 992 NH2 ARG 63 -14.584 -30.555 27.170 1.00 55.14 ATOM 993 HH21 ARG 63 -14.254 -30.840 28.072 1.00 50.13 ATOM 994 HH22 ARG 63 -15.161 -31.175 26.635 1.00 31.10 ATOM 995 C ARG 63 -11.446 -26.760 30.829 1.00 71.11 ATOM 996 O ARG 63 -12.019 -27.552 31.577 1.00 4.52 ATOM 997 N GLU 64 -10.188 -26.920 30.431 1.00 61.24 ATOM 998 HN GLU 64 -9.786 -26.292 29.797 1.00 37.07 ATOM 999 CA GLU 64 -9.391 -28.063 30.861 1.00 62.04 ATOM 1000 HA GLU 64 -10.056 -28.881 31.119 1.00 44.12 ATOM 1001 CB GLU 64 -8.467 -28.523 29.731 1.00 50.33 ATOM 1002 HB1 GLU 64 -7.691 -29.161 30.140 1.00 37.07 ATOM 1003 HB2 GLU 64 -8.003 -27.656 29.283 1.00 5.10 ATOM 1004 CG GLU 64 -9.183 -29.296 28.636 1.00 43.11 ATOM 1005 HG1 GLU 64 -9.702 -28.602 27.998 1.00 37.07 ATOM 1006 HG2 GLU 64 -9.900 -29.970 29.087 1.00 31.04 ATOM 1007 CD GLU 64 -8.233 -30.120 27.787 1.00 15.54 ATOM 1008 OE1 GLU 64 -7.052 -29.733 27.673 1.00 42.13 ATOM 1009 OE2 GLU 64 -8.673 -31.152 27.238 1.00 11.43 ATOM 1010 C GLU 64 -8.567 -27.717 32.097 1.00 25.03 ATOM 1011 O GLU 64 -7.597 -28.403 32.422 1.00 34.22 ATOM 1012 N ARG 65 -8.959 -26.648 32.782 1.00 2.15 ATOM 1013 HN ARG 65 -9.730 -26.127 32.506 1.00 37.07 ATOM 1014 CA ARG 65 -8.256 -26.209 33.982 1.00 21.11 ATOM 1015 HA ARG 65 -8.659 -25.250 34.270 1.00 42.25 ATOM 1016 CB ARG 65 -8.478 -27.205 35.122 1.00 62.01 ATOM 1017 HB1 ARG 65 -8.185 -26.728 36.046 1.00 37.07 ATOM 1018 HB2 ARG 65 -7.845 -28.072 34.972 1.00 54.33 ATOM 1019 CG ARG 65 -9.924 -27.650 35.269 1.00 23.01 ATOM 1020 HG1 ARG 65 -10.583 -26.925 34.807 1.00 37.07 ATOM 1021 HG2 ARG 65 -10.153 -27.713 36.323 1.00 64.03 ATOM 1022 CD ARG 65 -10.157 -29.008 34.627 1.00 64.54 ATOM 1023 HD1 ARG 65 -9.226 -29.556 34.551 1.00 37.07 ATOM 1024 HD2 ARG 65 -10.547 -28.833 33.637 1.00 11.20 ATOM 1025 NE ARG 65 -11.110 -29.816 35.383 1.00 11.52 ATOM 1026 HE ARG 65 -11.258 -29.589 36.331 1.00 4.25 ATOM 1027 CZ ARG 65 -11.779 -30.840 34.866 1.00 23.30 ATOM 1028 NH1 ARG 65 -11.598 -31.181 33.598 1.00 74.44 ATOM 1029 HH11 ARG 65 -10.963 -30.690 33.008 1.00 52.24 ATOM 1030 HH12 ARG 65 -12.111 -31.953 33.217 1.00 72.31 ATOM 1031 NH2 ARG 65 -12.629 -31.526 35.618 1.00 34.54 ATOM 1032 HH21 ARG 65 -12.769 -31.274 36.578 1.00 22.41 ATOM 1033 HH22 ARG 65 -13.135 -32.299 35.230 1.00 31.34 ATOM 1034 C ARG 65 -6.762 -26.054 33.711 1.00 33.31 ATOM 1035 O ARG 65 -5.937 -26.235 34.606 1.00 21.44 ATOM 1036 N ARG 66 -6.423 -25.719 32.471 1.00 41.13 ATOM 1037 HN ARG 66 -7.114 -25.522 31.803 1.00 37.07 ATOM 1038 CA ARG 66 -5.029 -25.542 32.082 1.00 51.55 ATOM 1039 HA ARG 66 -4.387 -25.931 32.866 1.00 65.14 ATOM 1040 CB ARG 66 -4.735 -26.312 30.793 1.00 31.43 ATOM 1041 HB1 ARG 66 -3.753 -26.026 30.431 1.00 37.07 ATOM 1042 HB2 ARG 66 -5.474 -26.042 30.052 1.00 34.22 ATOM 1043 CG ARG 66 -4.765 -27.822 30.967 1.00 63.23 ATOM 1044 HG1 ARG 66 -5.789 -28.151 30.909 1.00 37.07 ATOM 1045 HG2 ARG 66 -4.352 -28.086 31.932 1.00 54.22 ATOM 1046 CD ARG 66 -3.958 -28.523 29.885 1.00 23.11 ATOM 1047 HD1 ARG 66 -2.948 -28.647 30.251 1.00 37.07 ATOM 1048 HD2 ARG 66 -3.943 -27.918 28.986 1.00 52.35 ATOM 1049 NE ARG 66 -4.511 -29.833 29.551 1.00 12.32 ATOM 1050 HE ARG 66 -5.414 -30.051 29.881 1.00 74.12 ATOM 1051 CZ ARG 66 -3.867 -30.740 28.825 1.00 3.45 ATOM 1052 NH1 ARG 66 -2.652 -30.480 28.360 1.00 35.44 ATOM 1053 HH11 ARG 66 -2.199 -29.609 28.539 1.00 51.42 ATOM 1054 HH12 ARG 66 -2.173 -31.172 27.815 1.00 2.52 ATOM 1055 NH2 ARG 66 -4.437 -31.909 28.564 1.00 42.10 ATOM 1056 HH21 ARG 66 -5.354 -32.111 28.913 1.00 37.07 ATOM 1057 HH22 ARG 66 -3.953 -32.595 28.016 1.00 52.43 ATOM 1058 C ARG 66 -4.702 -24.064 31.888 1.00 14.44 ATOM 1059 O ARG 66 -5.584 -23.255 31.599 1.00 51.33 ATOM 1060 N VAL 67 -3.429 -23.718 32.051 1.00 32.04 ATOM 1061 HN VAL 67 -2.769 -24.402 32.309 1.00 37.07 ATOM 1062 CA VAL 67 -2.985 -22.338 31.895 1.00 75.04 ATOM 1063 HA VAL 67 -3.853 -21.693 31.804 1.00 15.11 ATOM 1064 CB VAL 67 -2.173 -21.867 33.116 1.00 75.32 ATOM 1065 HB VAL 67 -1.227 -22.394 33.131 1.00 42.31 ATOM 1066 CG1 VAL 67 -1.884 -20.377 33.023 1.00 53.13 ATOM 1067 HG11 VAL 67 -1.404 -20.042 33.934 1.00 64.23 ATOM 1068 HG12 VAL 67 -2.808 -19.831 32.888 1.00 12.31 ATOM 1069 HG13 VAL 67 -1.227 -20.182 32.190 1.00 14.53 ATOM 1070 CG2 VAL 67 -2.912 -22.196 34.405 1.00 65.23 ATOM 1071 HG21 VAL 67 -3.031 -23.266 34.496 1.00 3.11 ATOM 1072 HG22 VAL 67 -3.885 -21.726 34.398 1.00 20.25 ATOM 1073 HG23 VAL 67 -2.346 -21.830 35.251 1.00 22.05 ATOM 1074 C VAL 67 -2.136 -22.173 30.639 1.00 34.12 ATOM 1075 O VAL 67 -2.047 -21.082 30.076 1.00 53.33 ATOM 1076 N HIS 68 -1.514 -23.264 30.205 1.00 64.30 ATOM 1077 HN HIS 68 -1.620 -24.113 30.678 1.00 37.07 ATOM 1078 CA HIS 68 -0.671 -23.241 29.014 1.00 35.13 ATOM 1079 HA HIS 68 -0.470 -22.220 28.747 1.00 50.21 ATOM 1080 CB HIS 68 0.665 -23.929 29.295 1.00 12.15 ATOM 1081 HB1 HIS 68 1.158 -23.423 30.106 1.00 37.07 ATOM 1082 HB2 HIS 68 1.290 -23.877 28.415 1.00 4.23 ATOM 1083 CG HIS 68 0.527 -25.369 29.682 1.00 64.54 ATOM 1084 ND1 HIS 68 0.324 -25.784 30.981 1.00 75.32 ATOM 1085 HD1 HIS 68 0.252 -25.199 31.764 1.00 11.43 ATOM 1086 CD2 HIS 68 0.564 -26.495 28.930 1.00 0.23 ATOM 1087 HD2 HIS 68 0.712 -26.546 27.861 1.00 1.31 ATOM 1088 CE1 HIS 68 0.242 -27.102 31.012 1.00 24.41 ATOM 1089 HE1 HIS 68 0.083 -27.704 31.894 1.00 52.51 ATOM 1090 NE2 HIS 68 0.385 -27.558 29.781 1.00 73.14 ATOM 1091 HE2 HIS 68 0.458 -28.504 29.534 1.00 37.07 ATOM 1092 C HIS 68 -1.370 -23.922 27.841 1.00 14.32 ATOM 1093 O HIS 68 -1.766 -25.084 27.930 1.00 21.15 ATOM 1094 N VAL 69 -1.520 -23.189 26.742 1.00 71.40 ATOM 1095 HN VAL 69 -1.156 -22.279 26.722 1.00 37.07 ATOM 1096 CA VAL 69 -2.171 -23.722 25.551 1.00 20.31 ATOM 1097 HA VAL 69 -3.088 -24.214 25.865 1.00 13.12 ATOM 1098 CB VAL 69 -2.550 -22.598 24.568 1.00 34.55 ATOM 1099 HB VAL 69 -1.642 -22.162 24.170 1.00 24.13 ATOM 1100 CG1 VAL 69 -3.358 -23.155 23.406 1.00 34.43 ATOM 1101 HG11 VAL 69 -4.284 -23.567 23.776 1.00 61.42 ATOM 1102 HG12 VAL 69 -2.799 -23.920 22.889 1.00 44.23 ATOM 1103 HG13 VAL 69 -3.575 -22.355 22.716 1.00 12.03 ATOM 1104 CG2 VAL 69 -3.321 -21.501 25.287 1.00 41.13 ATOM 1105 HG21 VAL 69 -4.213 -21.918 25.734 1.00 63.11 ATOM 1106 HG22 VAL 69 -3.604 -20.735 24.578 1.00 34.12 ATOM 1107 HG23 VAL 69 -2.711 -21.057 26.055 1.00 13.00 ATOM 1108 C VAL 69 -1.273 -24.726 24.836 1.00 1.43 ATOM 1109 O VAL 69 -0.136 -24.415 24.479 1.00 53.54 ATOM 1110 N THR 70 -1.790 -25.933 24.630 1.00 13.20 ATOM 1111 HN THR 70 -2.691 -26.130 24.949 1.00 37.07 ATOM 1112 CA THR 70 -1.036 -26.983 23.958 1.00 24.24 ATOM 1113 HA THR 70 0.019 -26.771 24.039 1.00 64.35 ATOM 1114 CB THR 70 -1.290 -28.358 24.604 1.00 23.33 ATOM 1115 HB THR 70 -0.552 -29.055 24.231 1.00 64.31 ATOM 1116 OG1 THR 70 -2.598 -28.828 24.259 1.00 2.41 ATOM 1117 HG1 THR 70 -2.549 -29.362 23.466 1.00 12.20 ATOM 1118 CG2 THR 70 -1.157 -28.278 26.118 1.00 73.03 ATOM 1119 HG21 THR 70 -0.188 -27.881 26.380 1.00 13.54 ATOM 1120 HG22 THR 70 -1.260 -29.268 26.536 1.00 25.24 ATOM 1121 HG23 THR 70 -1.930 -27.640 26.519 1.00 14.10 ATOM 1122 C THR 70 -1.393 -27.056 22.478 1.00 24.12 ATOM 1123 O THR 70 -2.394 -26.488 22.044 1.00 34.40 ATOM 1124 N GLN 71 -0.567 -27.758 21.709 1.00 70.40 ATOM 1125 HN GLN 71 0.224 -28.187 22.116 1.00 37.07 ATOM 1126 CA GLN 71 -0.797 -27.905 20.277 1.00 51.24 ATOM 1127 HA GLN 71 -0.668 -26.936 19.827 1.00 24.11 ATOM 1128 CB GLN 71 0.214 -28.882 19.673 1.00 13.25 ATOM 1129 HB1 GLN 71 0.137 -29.825 20.194 1.00 37.07 ATOM 1130 HB2 GLN 71 1.211 -28.488 19.816 1.00 3.31 ATOM 1131 CG GLN 71 -0.002 -29.142 18.191 1.00 22.34 ATOM 1132 HG1 GLN 71 -1.035 -29.387 17.999 1.00 37.07 ATOM 1133 HG2 GLN 71 0.613 -29.985 17.908 1.00 25.43 ATOM 1134 CD GLN 71 0.390 -27.959 17.328 1.00 73.41 ATOM 1135 OE1 GLN 71 0.406 -26.818 17.789 1.00 10.21 ATOM 1136 NE2 GLN 71 0.708 -28.226 16.067 1.00 63.52 ATOM 1137 HE21 GLN 71 0.691 -29.148 15.762 1.00 12.23 ATOM 1138 HE22 GLN 71 0.950 -27.472 15.492 1.00 4.12 ATOM 1139 C GLN 71 -2.217 -28.388 20.000 1.00 62.21 ATOM 1140 O GLN 71 -2.913 -27.840 19.146 1.00 33.13 ATOM 1141 N GLU 72 -2.638 -29.418 20.727 1.00 35.02 ATOM 1142 HN GLU 72 -2.028 -29.826 21.387 1.00 37.07 ATOM 1143 CA GLU 72 -3.975 -29.975 20.558 1.00 33.41 ATOM 1144 HA GLU 72 -4.043 -30.377 19.563 1.00 34.02 ATOM 1145 CB GLU 72 -4.214 -31.101 21.566 1.00 22.52 ATOM 1146 HB1 GLU 72 -5.279 -31.219 21.731 1.00 37.07 ATOM 1147 HB2 GLU 72 -3.748 -30.835 22.503 1.00 21.55 ATOM 1148 CG GLU 72 -3.669 -32.447 21.116 1.00 14.20 ATOM 1149 HG1 GLU 72 -2.661 -32.315 20.744 1.00 37.07 ATOM 1150 HG2 GLU 72 -4.296 -32.827 20.323 1.00 22.11 ATOM 1151 CD GLU 72 -3.635 -33.467 22.237 1.00 34.13 ATOM 1152 OE1 GLU 72 -3.241 -33.097 23.363 1.00 23.41 ATOM 1153 OE2 GLU 72 -4.003 -34.634 21.989 1.00 23.43 ATOM 1154 C GLU 72 -5.040 -28.895 20.724 1.00 32.14 ATOM 1155 O GLU 72 -6.113 -28.968 20.125 1.00 70.50 ATOM 1156 N ASP 73 -4.736 -27.894 21.543 1.00 43.24 ATOM 1157 HN ASP 73 -3.884 -27.902 22.024 1.00 37.07 ATOM 1158 CA ASP 73 -5.665 -26.798 21.788 1.00 15.54 ATOM 1159 HA ASP 73 -6.650 -27.216 21.958 1.00 23.04 ATOM 1160 CB ASP 73 -5.247 -26.015 23.034 1.00 32.44 ATOM 1161 HB1 ASP 73 -6.009 -25.286 23.270 1.00 37.07 ATOM 1162 HB2 ASP 73 -4.324 -25.513 22.840 1.00 44.10 ATOM 1163 CG ASP 73 -5.052 -26.911 24.242 1.00 60.12 ATOM 1164 OD1 ASP 73 -4.460 -26.445 25.238 1.00 43.54 ATOM 1165 OD2 ASP 73 -5.492 -28.078 24.191 1.00 33.43 ATOM 1166 C ASP 73 -5.734 -25.863 20.585 1.00 44.42 ATOM 1167 O ASP 73 -6.790 -25.313 20.271 1.00 21.51 ATOM 1168 N PHE 74 -4.600 -25.685 19.915 1.00 63.42 ATOM 1169 HN PHE 74 -3.780 -26.137 20.219 1.00 37.07 ATOM 1170 CA PHE 74 -4.530 -24.815 18.747 1.00 60.23 ATOM 1171 HA PHE 74 -5.024 -23.880 18.990 1.00 73.01 ATOM 1172 CB PHE 74 -3.071 -24.536 18.379 1.00 73.03 ATOM 1173 HB1 PHE 74 -3.005 -24.435 17.322 1.00 37.07 ATOM 1174 HB2 PHE 74 -2.447 -25.363 18.689 1.00 70.41 ATOM 1175 CG PHE 74 -2.531 -23.273 18.986 1.00 21.12 ATOM 1176 CD1 PHE 74 -1.891 -23.298 20.215 1.00 72.30 ATOM 1177 HD1 PHE 74 -1.781 -24.237 20.740 1.00 45.22 ATOM 1178 CD2 PHE 74 -2.663 -22.061 18.329 1.00 52.33 ATOM 1179 HD2 PHE 74 -3.161 -22.022 17.374 1.00 15.34 ATOM 1180 CE1 PHE 74 -1.392 -22.138 20.777 1.00 55.03 ATOM 1181 HE1 PHE 74 -0.902 -22.176 21.736 1.00 4.15 ATOM 1182 CE2 PHE 74 -2.166 -20.897 18.885 1.00 32.42 ATOM 1183 HE2 PHE 74 -2.274 -19.960 18.367 1.00 11.40 ATOM 1184 CZ PHE 74 -1.531 -20.936 20.111 1.00 12.22 ATOM 1185 HZ PHE 74 -1.145 -20.036 20.547 1.00 63.31 ATOM 1186 C PHE 74 -5.255 -25.440 17.559 1.00 73.33 ATOM 1187 O PHE 74 -6.156 -24.834 16.980 1.00 42.24 ATOM 1188 N GLU 75 -4.855 -26.657 17.202 1.00 42.33 ATOM 1189 HN GLU 75 -4.110 -27.075 17.695 1.00 37.07 ATOM 1190 CA GLU 75 -5.466 -27.363 16.082 1.00 63.31 ATOM 1191 HA GLU 75 -5.292 -26.784 15.185 1.00 55.33 ATOM 1192 CB GLU 75 -4.826 -28.743 15.911 1.00 51.35 ATOM 1193 HB1 GLU 75 -3.820 -28.607 15.540 1.00 37.07 ATOM 1194 HB2 GLU 75 -5.389 -29.306 15.174 1.00 72.10 ATOM 1195 CG GLU 75 -4.745 -29.540 17.201 1.00 24.42 ATOM 1196 HG1 GLU 75 -5.503 -29.221 17.883 1.00 37.07 ATOM 1197 HG2 GLU 75 -3.779 -29.374 17.638 1.00 34.23 ATOM 1198 CD GLU 75 -4.908 -31.031 16.977 1.00 62.21 ATOM 1199 OE1 GLU 75 -5.961 -31.440 16.445 1.00 43.14 ATOM 1200 OE2 GLU 75 -3.981 -31.789 17.334 1.00 75.10 ATOM 1201 C GLU 75 -6.971 -27.510 16.287 1.00 24.31 ATOM 1202 O GLU 75 -7.741 -27.510 15.328 1.00 73.33 ATOM 1203 N MET 76 -7.381 -27.636 17.545 1.00 41.10 ATOM 1204 HN MET 76 -6.724 -27.633 18.276 1.00 37.07 ATOM 1205 CA MET 76 -8.793 -27.783 17.877 1.00 73.14 ATOM 1206 HA MET 76 -9.164 -28.646 17.343 1.00 60.23 ATOM 1207 CB MET 76 -8.967 -27.983 19.383 1.00 12.24 ATOM 1208 HB1 MET 76 -9.835 -27.442 19.730 1.00 37.07 ATOM 1209 HB2 MET 76 -8.104 -27.583 19.896 1.00 3.25 ATOM 1210 CG MET 76 -9.114 -29.440 19.790 1.00 22.14 ATOM 1211 HG1 MET 76 -9.096 -29.500 20.868 1.00 37.07 ATOM 1212 HG2 MET 76 -8.284 -30.003 19.388 1.00 25.34 ATOM 1213 SD MET 76 -10.650 -30.175 19.199 1.00 73.22 ATOM 1214 CE MET 76 -11.858 -29.095 19.961 1.00 12.35 ATOM 1215 HE1 MET 76 -11.887 -28.155 19.430 1.00 1.12 ATOM 1216 HE2 MET 76 -11.584 -28.918 20.991 1.00 20.23 ATOM 1217 HE3 MET 76 -12.832 -29.561 19.923 1.00 50.40 ATOM 1218 C MET 76 -9.589 -26.565 17.418 1.00 32.31 ATOM 1219 O MET 76 -10.662 -26.699 16.831 1.00 54.20 ATOM 1220 N ALA 77 -9.056 -25.379 17.690 1.00 12.35 ATOM 1221 HN ALA 77 -8.195 -25.333 18.171 1.00 37.07 ATOM 1222 CA ALA 77 -9.716 -24.138 17.304 1.00 13.12 ATOM 1223 HA ALA 77 -10.702 -24.123 17.746 1.00 41.43 ATOM 1224 CB ALA 77 -8.942 -22.941 17.836 1.00 53.33 ATOM 1225 HB1 ALA 77 -7.914 -23.011 17.511 1.00 5.03 ATOM 1226 HB2 ALA 77 -8.973 -22.933 18.913 1.00 23.25 ATOM 1227 HB3 ALA 77 -9.372 -22.029 17.453 1.00 24.55 ATOM 1228 C ALA 77 -9.865 -24.044 15.789 1.00 13.25 ATOM 1229 O ALA 77 -10.872 -23.547 15.284 1.00 0.02 ATOM 1230 N VAL 78 -8.856 -24.524 15.069 1.00 12.52 ATOM 1231 HN VAL 78 -8.082 -24.920 15.528 1.00 37.07 ATOM 1232 CA VAL 78 -8.875 -24.494 13.612 1.00 53.23 ATOM 1233 HA VAL 78 -8.964 -23.461 13.297 1.00 50.12 ATOM 1234 CB VAL 78 -7.575 -25.071 13.021 1.00 10.04 ATOM 1235 HB VAL 78 -7.474 -26.096 13.345 1.00 44.30 ATOM 1236 CG1 VAL 78 -7.628 -25.060 11.501 1.00 23.43 ATOM 1237 HG11 VAL 78 -8.102 -25.968 11.158 1.00 54.53 ATOM 1238 HG12 VAL 78 -6.631 -25.005 11.092 1.00 73.11 ATOM 1239 HG13 VAL 78 -8.202 -24.214 11.156 1.00 4.03 ATOM 1240 CG2 VAL 78 -6.370 -24.293 13.527 1.00 44.32 ATOM 1241 HG21 VAL 78 -6.467 -23.253 13.250 1.00 4.11 ATOM 1242 HG22 VAL 78 -5.467 -24.697 13.089 1.00 12.21 ATOM 1243 HG23 VAL 78 -6.305 -24.372 14.597 1.00 74.12 ATOM 1244 C VAL 78 -10.062 -25.277 13.062 1.00 61.15 ATOM 1245 O VAL 78 -10.763 -24.812 12.163 1.00 64.41 ATOM 1246 N ALA 79 -10.282 -26.469 13.608 1.00 43.44 ATOM 1247 HN ALA 79 -9.682 -26.794 14.322 1.00 37.07 ATOM 1248 CA ALA 79 -11.385 -27.316 13.173 1.00 32.15 ATOM 1249 HA ALA 79 -11.280 -27.491 12.110 1.00 52.01 ATOM 1250 CB ALA 79 -11.324 -28.664 13.877 1.00 14.34 ATOM 1251 HB1 ALA 79 -10.367 -29.125 13.683 1.00 74.23 ATOM 1252 HB2 ALA 79 -12.111 -29.305 13.506 1.00 72.43 ATOM 1253 HB3 ALA 79 -11.445 -28.524 14.942 1.00 31.13 ATOM 1254 C ALA 79 -12.729 -26.643 13.431 1.00 1.32 ATOM 1255 O ALA 79 -13.720 -26.935 12.762 1.00 34.34 ATOM 1256 N LYS 80 -12.756 -25.740 14.405 1.00 5.43 ATOM 1257 HN LYS 80 -11.951 -25.566 14.936 1.00 37.07 ATOM 1258 CA LYS 80 -13.977 -25.023 14.752 1.00 33.20 ATOM 1259 HA LYS 80 -14.822 -25.688 14.612 1.00 71.33 ATOM 1260 CB LYS 80 -13.940 -24.590 16.219 1.00 32.34 ATOM 1261 HB1 LYS 80 -13.089 -23.937 16.364 1.00 37.07 ATOM 1262 HB2 LYS 80 -13.804 -25.469 16.836 1.00 65.43 ATOM 1263 CG LYS 80 -15.186 -23.845 16.665 1.00 11.42 ATOM 1264 HG1 LYS 80 -15.741 -23.481 15.812 1.00 37.07 ATOM 1265 HG2 LYS 80 -14.885 -22.998 17.265 1.00 41.33 ATOM 1266 CD LYS 80 -16.106 -24.735 17.483 1.00 33.11 ATOM 1267 HD1 LYS 80 -16.184 -25.708 17.014 1.00 37.07 ATOM 1268 HD2 LYS 80 -17.084 -24.276 17.514 1.00 22.34 ATOM 1269 CE LYS 80 -15.596 -24.908 18.905 1.00 4.34 ATOM 1270 HE1 LYS 80 -14.987 -24.062 19.185 1.00 37.07 ATOM 1271 HE2 LYS 80 -15.007 -25.808 18.947 1.00 3.14 ATOM 1272 NZ LYS 80 -16.711 -25.031 19.884 1.00 12.11 ATOM 1273 HZ1 LYS 80 -17.302 -25.858 19.658 1.00 73.43 ATOM 1274 HZ2 LYS 80 -17.306 -24.177 19.865 1.00 53.21 ATOM 1275 HZ3 LYS 80 -16.328 -25.147 20.844 1.00 1.33 ATOM 1276 C LYS 80 -14.166 -23.803 13.856 1.00 62.42 ATOM 1277 O LYS 80 -15.225 -23.620 13.255 1.00 5.41 ATOM 1278 N VAL 81 -13.132 -22.973 13.769 1.00 5.11 ATOM 1279 HN VAL 81 -12.304 -23.189 14.254 1.00 37.07 ATOM 1280 CA VAL 81 -13.183 -21.772 12.944 1.00 44.11 ATOM 1281 HA VAL 81 -14.049 -21.192 13.243 1.00 21.51 ATOM 1282 CB VAL 81 -11.927 -20.902 13.140 1.00 24.23 ATOM 1283 HB VAL 81 -11.060 -21.474 12.835 1.00 5.11 ATOM 1284 CG1 VAL 81 -12.001 -19.654 12.274 1.00 4.13 ATOM 1285 HG11 VAL 81 -11.184 -18.988 12.525 1.00 60.35 ATOM 1286 HG12 VAL 81 -12.939 -19.143 12.443 1.00 74.44 ATOM 1287 HG13 VAL 81 -11.922 -19.924 11.232 1.00 44.40 ATOM 1288 CG2 VAL 81 -11.758 -20.535 14.607 1.00 43.43 ATOM 1289 HG21 VAL 81 -12.634 -19.999 14.946 1.00 43.23 ATOM 1290 HG22 VAL 81 -10.894 -19.904 14.730 1.00 24.24 ATOM 1291 HG23 VAL 81 -11.635 -21.418 15.200 1.00 3.10 ATOM 1292 C VAL 81 -13.317 -22.125 11.467 1.00 62.30 ATOM 1293 O VAL 81 -13.883 -21.362 10.685 1.00 64.12 ATOM 1294 N MET 82 -12.793 -23.288 11.092 1.00 2.24 ATOM 1295 HN MET 82 -12.338 -23.860 11.752 1.00 37.07 ATOM 1296 CA MET 82 -12.856 -23.744 9.709 1.00 41.55 ATOM 1297 HA MET 82 -13.000 -22.891 9.060 1.00 31.13 ATOM 1298 CB MET 82 -11.551 -24.440 9.319 1.00 43.05 ATOM 1299 HB1 MET 82 -11.606 -24.733 8.278 1.00 37.07 ATOM 1300 HB2 MET 82 -11.431 -25.329 9.921 1.00 51.32 ATOM 1301 CG MET 82 -10.318 -23.570 9.504 1.00 14.43 ATOM 1302 HG1 MET 82 -9.440 -24.163 9.294 1.00 37.07 ATOM 1303 HG2 MET 82 -10.278 -23.225 10.524 1.00 24.31 ATOM 1304 SD MET 82 -10.319 -22.125 8.425 1.00 14.14 ATOM 1305 CE MET 82 -9.536 -22.796 6.961 1.00 55.43 ATOM 1306 HE1 MET 82 -8.516 -22.448 6.910 1.00 63.05 ATOM 1307 HE2 MET 82 -10.071 -22.460 6.085 1.00 41.15 ATOM 1308 HE3 MET 82 -9.547 -23.876 6.992 1.00 3.01 ATOM 1309 C MET 82 -14.033 -24.691 9.501 1.00 31.13 ATOM 1310 O MET 82 -14.562 -24.805 8.396 1.00 42.22 ATOM 1311 N GLN 83 -14.437 -25.368 10.571 1.00 33.40 ATOM 1312 HN GLN 83 -13.983 -25.258 11.430 1.00 37.07 ATOM 1313 CA GLN 83 -15.551 -26.307 10.504 1.00 15.35 ATOM 1314 HA GLN 83 -15.649 -26.784 11.466 1.00 73.34 ATOM 1315 CB GLN 83 -16.850 -25.567 10.180 1.00 13.44 ATOM 1316 HB1 GLN 83 -17.588 -26.288 9.851 1.00 37.07 ATOM 1317 HB2 GLN 83 -16.685 -24.861 9.384 1.00 40.32 ATOM 1318 CG GLN 83 -17.433 -24.813 11.365 1.00 1.21 ATOM 1319 HG1 GLN 83 -16.935 -23.856 11.441 1.00 37.07 ATOM 1320 HG2 GLN 83 -17.259 -25.380 12.271 1.00 74.05 ATOM 1321 CD GLN 83 -18.925 -24.581 11.233 1.00 72.41 ATOM 1322 OE1 GLN 83 -19.650 -25.420 10.696 1.00 10.31 ATOM 1323 NE2 GLN 83 -19.393 -23.439 11.723 1.00 32.51 ATOM 1324 HE21 GLN 83 -18.767 -22.805 12.142 1.00 63.21 ATOM 1325 HE22 GLN 83 -20.356 -23.271 11.647 1.00 4.44 ATOM 1326 C GLN 83 -15.293 -27.386 9.458 1.00 4.23 ATOM 1327 O GLN 83 -16.203 -27.803 8.742 1.00 13.23 ATOM 1328 N LYS 84 -14.045 -27.834 9.374 1.00 22.45 ATOM 1329 HN LYS 84 -13.356 -27.489 9.989 1.00 37.07 ATOM 1330 CA LYS 84 -13.665 -28.866 8.417 1.00 43.14 ATOM 1331 HA LYS 84 -14.420 -28.902 7.645 1.00 42.41 ATOM 1332 CB LYS 84 -12.317 -28.525 7.777 1.00 22.21 ATOM 1333 HB1 LYS 84 -11.534 -28.627 8.518 1.00 37.07 ATOM 1334 HB2 LYS 84 -12.342 -27.497 7.442 1.00 50.20 ATOM 1335 CG LYS 84 -11.966 -29.407 6.591 1.00 53.32 ATOM 1336 HG1 LYS 84 -11.982 -30.443 6.900 1.00 37.07 ATOM 1337 HG2 LYS 84 -10.972 -29.148 6.253 1.00 71.53 ATOM 1338 CD LYS 84 -12.944 -29.213 5.444 1.00 51.10 ATOM 1339 HD1 LYS 84 -12.951 -28.171 5.154 1.00 37.07 ATOM 1340 HD2 LYS 84 -13.931 -29.508 5.760 1.00 4.31 ATOM 1341 CE LYS 84 -12.561 -30.054 4.236 1.00 24.12 ATOM 1342 HE1 LYS 84 -12.691 -31.097 4.484 1.00 37.07 ATOM 1343 HE2 LYS 84 -11.524 -29.869 3.989 1.00 22.20 ATOM 1344 NZ LYS 84 -13.397 -29.732 3.047 1.00 13.33 ATOM 1345 HZ1 LYS 84 -14.402 -29.913 3.251 1.00 31.40 ATOM 1346 HZ2 LYS 84 -13.110 -30.323 2.241 1.00 20.25 ATOM 1347 HZ3 LYS 84 -13.281 -28.731 2.783 1.00 54.34 ATOM 1348 C LYS 84 -13.589 -30.232 9.090 1.00 21.40 ATOM 1349 O LYS 84 -13.129 -30.350 10.226 1.00 60.51 ATOM 1350 N ASP 85 -14.041 -31.261 8.382 1.00 35.53 ATOM 1351 HN ASP 85 -14.399 -31.114 7.477 1.00 37.07 ATOM 1352 CA ASP 85 -14.022 -32.620 8.911 1.00 74.51 ATOM 1353 HA ASP 85 -14.589 -33.246 8.236 1.00 21.04 ATOM 1354 CB ASP 85 -12.586 -33.139 8.990 1.00 21.53 ATOM 1355 HB1 ASP 85 -12.580 -34.115 9.458 1.00 37.07 ATOM 1356 HB2 ASP 85 -11.994 -32.458 9.582 1.00 54.41 ATOM 1357 CG ASP 85 -11.940 -33.268 7.625 1.00 75.04 ATOM 1358 OD1 ASP 85 -10.716 -33.506 7.568 1.00 50.25 ATOM 1359 OD2 ASP 85 -12.660 -33.130 6.613 1.00 44.03 ATOM 1360 C ASP 85 -14.674 -32.677 10.289 1.00 4.53 ATOM 1361 O ASP 85 -14.133 -33.276 11.218 1.00 23.14 ATOM 1362 N SER 86 -15.838 -32.047 10.414 1.00 5.15 ATOM 1363 HN SER 86 -16.236 -31.603 9.628 1.00 37.07 ATOM 1364 HA SER 86 -15.843 -31.885 12.483 1.00 24.42 ATOM 1365 CB SER 86 -17.545 -30.850 11.706 1.00 31.41 ATOM 1366 HB1 SER 86 -18.372 -31.072 12.370 1.00 37.07 ATOM 1367 HB2 SER 86 -17.929 -30.673 10.711 1.00 24.43 ATOM 1368 OG SER 86 -16.918 -29.666 12.168 1.00 33.41 ATOM 1369 HG SER 86 -16.418 -29.264 11.452 1.00 0.20 ATOM 1370 CA SER 86 -16.560 -32.021 11.681 1.00 53.23 ATOM 1371 C SER 86 -17.306 -33.332 11.908 1.00 63.53 ATOM 1372 OT1 SER 86 -18.108 -33.721 11.030 1.00 37.07 ATOM 1373 OT2 SER 86 -17.084 -33.963 12.963 1.00 37.07 ATOM 1374 OH2 TIP3 1 -16.158 -32.816 1.101 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -16.599 -33.536 1.551 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.171 -32.095 1.731 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.047 -27.711 1.313 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -18.427 -28.388 1.040 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -19.255 -27.929 2.221 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -12.420 -40.243 6.302 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -13.109 -39.585 6.207 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -12.405 -40.440 7.239 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.000 -32.409 -1.577 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -19.296 -32.731 -2.428 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.324 -31.509 -1.535 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.394 -29.195 0.074 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -16.969 -29.902 -0.411 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -17.077 -28.394 -0.343 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -16.235 -31.294 -1.417 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -16.492 -31.984 -2.029 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -16.164 -31.737 -0.572 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -16.773 -37.382 6.852 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -16.693 -36.619 7.424 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -17.374 -37.103 6.161 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -18.349 -30.654 4.034 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -18.590 -29.992 4.682 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -18.547 -31.488 4.459 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -23.778 -31.758 8.017 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -24.090 -30.976 8.473 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -24.428 -31.911 7.331 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -20.073 -29.657 -1.096 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -19.599 -29.362 -0.318 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -20.636 -28.919 -1.329 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -25.539 -29.686 8.781 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -25.531 -29.822 7.833 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -26.455 -29.804 9.033 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -21.015 -30.473 7.513 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -20.928 -29.647 7.988 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -21.879 -30.803 7.762 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -17.830 -27.621 -2.929 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -18.765 -27.521 -2.750 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -17.550 -28.330 -2.351 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -14.842 -38.554 9.117 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -15.249 -38.073 8.397 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -14.801 -39.459 8.810 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -17.085 -40.222 7.338 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -17.599 -40.348 8.135 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -17.240 -39.310 7.093 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -20.348 -37.922 9.422 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -20.911 -38.626 9.742 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -19.522 -38.042 9.889 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -19.182 -37.013 5.419 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -18.858 -37.644 4.776 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -19.622 -37.548 6.080 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -20.394 -33.513 7.426 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -20.740 -33.894 8.232 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -20.594 -32.579 7.497 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -22.764 -36.424 9.486 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -23.060 -36.590 8.591 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -21.833 -36.644 9.476 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -14.117 -30.020 -3.792 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -14.490 -30.846 -3.482 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -13.840 -30.203 -4.689 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.957 -35.212 3.230 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -17.885 -35.444 3.203 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.506 -35.989 2.900 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -22.472 -29.072 5.254 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -22.109 -28.217 5.021 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -21.940 -29.364 5.995 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -18.928 -32.973 4.955 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -19.354 -33.200 5.781 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -18.347 -33.711 4.772 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -20.892 -39.081 6.838 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -20.773 -38.507 7.595 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -20.237 -39.769 6.953 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -16.086 -37.423 1.769 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -16.883 -37.838 1.440 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -15.641 -38.114 2.260 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -24.688 -28.577 11.239 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -23.920 -29.036 11.580 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -24.709 -28.803 10.309 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.723 -33.716 10.006 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -23.051 -33.445 9.148 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -22.571 -34.657 9.918 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -22.265 -36.313 6.182 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -21.514 -36.469 5.609 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -22.604 -35.461 5.906 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -17.849 -38.498 11.210 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -17.657 -39.429 11.099 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -16.992 -38.073 11.200 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -21.777 -39.974 9.937 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -22.013 -40.194 10.839 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -22.560 -40.181 9.428 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -19.061 -40.847 9.013 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -20.009 -40.815 9.145 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.749 -41.472 9.667 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -12.968 -33.903 -3.306 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -12.118 -33.482 -3.178 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -12.963 -34.643 -2.698 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -12.574 -35.850 -1.482 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -13.300 -36.329 -1.084 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -11.993 -35.644 -0.750 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -12.434 -37.456 9.404 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.297 -37.835 9.239 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -11.830 -38.195 9.330 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -14.465 -39.165 2.979 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -13.532 -38.953 2.945 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -14.700 -39.063 3.902 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -14.436 -38.428 5.755 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -15.279 -38.160 6.121 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -13.993 -37.606 5.544 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.545 -27.427 -0.808 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -14.892 -27.774 -1.416 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.034 -26.938 -0.162 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.626 -26.779 4.247 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -21.083 -26.250 3.593 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -20.463 -26.176 4.972 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -18.299 -27.901 5.192 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -19.203 -27.736 4.926 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.870 -27.048 5.126 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -13.565 -27.647 -2.800 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -13.759 -28.395 -3.365 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -13.604 -26.889 -3.384 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -18.797 -35.010 18.236 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -18.708 -34.066 18.104 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -19.436 -35.285 17.578 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -16.158 -32.816 19.957 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -16.599 -33.536 20.407 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -16.171 -32.095 20.587 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -19.000 -32.409 17.279 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -19.296 -32.731 16.428 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.324 -31.509 17.321 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.394 -29.195 18.930 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -16.969 -29.902 18.445 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -17.077 -28.394 18.513 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -16.235 -31.294 17.439 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -16.492 -31.984 16.827 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -16.164 -31.737 18.284 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -20.076 -35.766 15.688 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -20.788 -35.231 15.337 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -19.385 -35.710 15.028 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -20.022 -37.308 12.727 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -19.321 -37.286 13.378 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -19.720 -37.936 12.071 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -12.707 -36.388 23.982 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -13.359 -35.693 24.071 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -12.242 -36.178 23.172 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -16.670 -35.556 16.640 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -17.402 -35.328 17.213 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -16.223 -36.270 17.095 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -16.773 -37.382 25.708 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -16.693 -36.619 26.280 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -17.374 -37.103 25.017 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -18.349 -30.654 22.890 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -18.590 -29.992 23.538 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -18.547 -31.488 23.315 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -20.073 -29.657 17.760 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -19.599 -29.362 18.538 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -20.636 -28.919 17.527 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -21.015 -30.473 26.369 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -20.928 -29.647 26.844 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -21.879 -30.803 26.618 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -20.601 -26.701 16.175 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.676 -26.822 15.229 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -20.568 -25.751 16.294 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -19.450 -38.097 16.790 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -19.859 -37.282 16.498 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -18.730 -38.237 16.175 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -21.914 -33.697 15.045 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -22.658 -34.204 14.722 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -22.048 -33.648 15.991 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -14.764 -34.564 23.831 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.122 -34.107 23.288 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -15.594 -34.451 23.369 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.016 -40.883 13.244 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -18.954 -40.771 13.093 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -17.719 -40.026 13.550 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -20.394 -33.513 26.282 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -20.740 -33.894 27.088 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -20.594 -32.579 26.353 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -17.298 -39.016 14.905 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -16.406 -39.153 15.224 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -17.241 -38.225 14.368 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -12.413 -38.806 14.599 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -12.967 -39.202 13.927 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -12.312 -37.896 14.322 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -16.957 -35.212 22.086 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -17.885 -35.444 22.059 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -16.506 -35.989 21.756 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -22.987 -33.221 17.795 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -23.228 -32.296 17.837 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -23.727 -33.680 18.191 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -22.472 -29.072 24.110 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -22.109 -28.217 23.877 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -21.940 -29.364 24.851 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -18.928 -32.973 23.811 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -19.354 -33.200 24.637 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -18.347 -33.711 23.628 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -22.634 -30.932 11.332 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -22.395 -31.680 10.784 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -22.903 -31.320 12.164 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -23.697 -31.362 13.788 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -23.550 -31.882 14.578 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -23.700 -30.455 14.094 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -20.959 -29.664 14.537 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -21.776 -29.167 14.590 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -20.430 -29.189 13.897 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -23.621 -28.621 14.519 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -23.460 -27.821 14.018 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -23.818 -28.314 15.404 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -25.037 -33.342 11.561 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -24.973 -34.136 12.092 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -24.384 -33.461 10.872 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -16.988 -33.800 26.245 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -16.243 -33.212 26.125 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -17.745 -33.218 26.308 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -23.888 -35.370 13.867 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -24.347 -35.854 14.553 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -23.633 -36.038 13.231 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -22.817 -37.127 12.130 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -22.997 -37.281 11.202 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -21.866 -37.019 12.174 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -19.579 -35.006 29.501 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -18.626 -34.922 29.473 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -19.739 -35.717 30.120 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -16.533 -35.709 28.144 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -16.814 -35.000 27.566 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.590 -35.782 27.993 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -22.919 -26.436 13.131 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -21.986 -26.278 13.275 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -23.183 -25.761 12.506 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -12.968 -33.903 15.550 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -12.118 -33.482 15.678 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -12.963 -34.643 16.158 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -12.574 -35.850 17.374 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.300 -36.329 17.772 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -11.993 -35.644 18.106 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -12.815 -33.065 22.322 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -11.981 -33.443 22.041 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -12.703 -32.122 22.203 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -12.306 -35.949 13.765 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -12.827 -35.592 13.046 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -12.339 -35.274 14.443 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -13.957 -38.709 12.316 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -13.860 -38.042 11.636 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.097 -39.525 11.834 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -14.787 -37.329 17.937 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -14.937 -38.274 17.917 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -15.141 -37.048 18.781 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -13.931 -35.359 27.576 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -13.348 -36.093 27.767 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -13.367 -34.587 27.622 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -12.434 -37.456 28.260 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -13.297 -37.835 28.095 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -11.830 -38.195 28.186 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.709 -41.301 11.433 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -14.099 -41.673 12.070 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -15.546 -41.723 11.629 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -15.077 -39.746 16.399 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -14.797 -40.653 16.524 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -14.318 -39.312 16.010 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -20.895 -28.124 27.809 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -20.710 -28.458 28.687 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -20.048 -27.815 27.487 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -18.550 -26.839 27.053 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -17.873 -27.471 26.813 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -18.228 -26.437 27.861 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -20.626 -26.779 23.103 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -21.083 -26.250 22.449 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -20.463 -26.176 23.828 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.299 -27.901 24.048 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -19.203 -27.736 23.782 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -17.870 -27.048 23.982 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -23.711 -28.464 21.311 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -23.498 -29.352 21.024 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -23.646 -28.498 22.266 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.797 -35.010 37.092 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -18.708 -34.066 36.960 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.436 -35.285 36.434 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -16.158 -32.816 38.813 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -16.599 -33.536 39.263 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -16.171 -32.095 39.443 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -19.000 -32.409 36.135 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -19.296 -32.731 35.284 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -19.324 -31.509 36.177 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.646 -30.976 41.161 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -16.588 -30.918 41.322 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -15.370 -30.070 41.024 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.394 -29.195 37.786 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.969 -29.902 37.301 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -17.077 -28.394 37.369 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -16.670 -35.556 35.496 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.402 -35.328 36.069 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -16.223 -36.270 35.951 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -17.799 -36.394 33.181 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -17.220 -36.244 33.928 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -17.385 -35.923 32.458 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -20.073 -29.657 36.616 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -19.599 -29.362 37.394 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -20.636 -28.919 36.383 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -17.499 -27.547 32.034 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -17.124 -28.291 31.563 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -17.495 -27.817 32.952 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -17.830 -27.621 34.783 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -18.765 -27.521 34.962 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.550 -28.330 35.361 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -16.322 -35.361 30.811 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -16.280 -35.584 29.881 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -15.473 -34.963 31.001 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -14.764 -34.564 42.687 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -14.122 -34.107 42.144 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -15.594 -34.451 42.225 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -19.788 -32.238 32.926 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -20.083 -31.412 33.308 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -20.491 -32.858 33.122 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -12.413 -38.806 33.455 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -12.967 -39.202 32.783 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -12.312 -37.896 33.178 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -16.957 -35.212 40.942 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.885 -35.444 40.915 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -16.506 -35.989 40.612 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -16.725 -32.044 31.741 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -16.372 -32.424 32.545 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -17.674 -32.137 31.827 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -15.859 -33.371 33.967 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -16.136 -34.099 34.523 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -14.932 -33.252 34.173 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -16.086 -37.423 39.481 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -16.883 -37.838 39.152 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -15.641 -38.114 39.972 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -14.999 -28.167 41.103 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -15.155 -27.489 40.446 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -14.067 -28.095 41.306 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -20.596 -29.069 30.326 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -21.240 -29.700 30.648 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -19.834 -29.600 30.094 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -19.685 -32.295 30.153 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -19.953 -32.115 31.054 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -19.891 -33.221 30.022 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -13.427 -34.772 30.431 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -13.700 -35.197 29.618 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -13.387 -33.841 30.214 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -12.283 -27.517 41.332 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.305 -27.332 42.271 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -11.593 -26.948 40.991 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -12.574 -35.850 36.230 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -13.300 -36.329 36.628 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.993 -35.644 36.962 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -12.815 -33.065 41.178 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -11.981 -33.443 40.897 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -12.703 -32.122 41.059 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -12.306 -35.949 32.621 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -12.827 -35.592 31.902 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -12.339 -35.274 33.299 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -14.787 -37.329 36.793 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.937 -38.274 36.773 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -15.141 -37.048 37.637 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -15.545 -27.427 36.904 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -14.892 -27.774 36.296 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -15.034 -26.938 37.550 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -16.158 -13.960 -17.755 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -16.599 -14.680 -17.305 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -16.171 -13.239 -17.125 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -19.047 -8.855 -17.543 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -18.427 -9.532 -17.816 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -19.255 -9.073 -16.635 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -15.646 -12.120 -15.407 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -16.588 -12.062 -15.246 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.370 -11.214 -15.544 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -17.394 -10.339 -18.782 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -16.969 -11.046 -19.267 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -17.077 -9.538 -19.199 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -14.549 -13.872 -11.796 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -14.409 -14.463 -12.535 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -14.381 -12.999 -12.152 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -12.707 -17.532 -13.730 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -13.359 -16.837 -13.641 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -12.242 -17.322 -14.540 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -18.349 -11.798 -14.822 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -18.590 -11.136 -14.174 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -18.547 -12.632 -14.397 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -21.015 -11.617 -11.343 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -20.928 -10.791 -10.868 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -21.879 -11.947 -11.094 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -14.764 -15.708 -13.881 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -14.122 -15.251 -14.424 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -15.594 -15.595 -14.343 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -18.144 -12.195 -11.480 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -19.045 -12.012 -11.748 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -18.110 -11.936 -10.559 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -16.957 -16.356 -15.626 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -17.885 -16.588 -15.653 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -16.506 -17.133 -15.956 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -22.472 -10.216 -13.602 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -22.109 -9.361 -13.835 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -21.940 -10.508 -12.861 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -18.928 -14.117 -13.901 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -19.354 -14.344 -13.075 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -18.347 -14.855 -14.084 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -18.111 -11.341 -8.888 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -18.462 -12.197 -8.645 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -17.385 -11.198 -8.281 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -16.988 -14.944 -11.467 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -16.243 -14.356 -11.587 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -17.745 -14.362 -11.404 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -16.533 -16.853 -9.568 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -16.814 -16.144 -10.146 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -15.590 -16.926 -9.719 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -12.968 -15.047 -22.162 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -12.118 -14.626 -22.034 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -12.963 -15.787 -21.554 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -12.574 -16.994 -20.338 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -13.300 -17.473 -19.940 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -11.993 -16.788 -19.606 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -13.931 -16.503 -10.136 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -13.348 -17.237 -9.945 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -13.367 -15.731 -10.090 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -12.434 -18.600 -9.452 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -13.297 -18.979 -9.617 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -11.830 -19.339 -9.526 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -14.465 -20.309 -15.877 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -13.532 -20.097 -15.911 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -14.700 -20.207 -14.954 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -14.436 -19.572 -13.101 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -15.279 -19.304 -12.735 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -13.993 -18.750 -13.312 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -15.545 -8.571 -19.664 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -14.892 -8.918 -20.272 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -15.034 -8.082 -19.018 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -25.206 -10.667 -12.862 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -25.631 -9.858 -13.145 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -24.301 -10.582 -13.164 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -20.895 -9.268 -9.903 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -20.710 -9.602 -9.025 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.048 -8.959 -10.225 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -25.337 -7.811 -13.785 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -26.202 -7.739 -13.381 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -25.392 -7.264 -14.569 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -23.711 -9.608 -16.401 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -23.498 -10.496 -16.688 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -23.646 -9.642 -15.446 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.158 -13.960 1.101 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -16.599 -14.680 1.551 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -16.171 -13.239 1.731 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -12.812 -22.865 4.066 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -12.763 -22.255 4.802 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -12.386 -22.404 3.343 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.334 -20.072 3.533 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -18.191 -21.019 3.553 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -18.440 -19.865 2.604 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.693 -22.549 1.187 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.908 -23.315 1.719 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -15.037 -22.077 1.700 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -15.646 -12.120 3.449 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -16.588 -12.062 3.610 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -15.370 -11.214 3.312 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -16.235 -12.438 -1.417 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.492 -13.128 -2.029 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -16.164 -12.881 -0.572 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -16.773 -18.526 6.852 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -16.693 -17.763 7.424 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -17.374 -18.247 6.161 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -20.601 -7.845 -2.681 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -20.676 -7.966 -3.627 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -20.568 -6.895 -2.562 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.499 -8.691 -5.678 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.124 -9.435 -6.149 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -17.495 -8.961 -4.760 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -17.830 -8.765 -2.929 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -18.765 -8.665 -2.750 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -17.550 -9.474 -2.351 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.411 -25.122 6.484 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -19.991 -25.537 7.237 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -21.344 -25.300 6.601 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -17.085 -21.366 7.338 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.599 -21.492 8.135 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -17.240 -20.454 7.093 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.322 -16.505 -6.901 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.280 -16.728 -7.831 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.473 -16.107 -6.711 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -20.348 -19.066 9.422 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -20.911 -19.770 9.742 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.522 -19.186 9.889 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -17.999 -22.995 3.467 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -18.676 -22.864 4.131 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -18.485 -23.150 2.657 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -14.712 -7.323 9.744 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -14.512 -6.899 8.909 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -14.056 -6.980 10.351 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -14.764 -15.708 4.975 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -14.122 -15.251 4.432 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -15.594 -15.595 4.513 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -22.764 -17.568 9.486 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -23.060 -17.734 8.591 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -21.833 -17.788 9.476 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -18.144 -12.195 7.376 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.045 -12.012 7.108 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.110 -11.936 8.297 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -12.413 -19.950 -4.257 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -12.967 -20.346 -4.929 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -12.312 -19.040 -4.534 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -14.117 -11.164 -3.792 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -14.490 -11.990 -3.482 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -13.840 -11.347 -4.689 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -16.957 -16.356 3.230 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -17.885 -16.588 3.203 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -16.506 -17.133 2.900 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -16.725 -13.188 -5.971 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -16.372 -13.568 -5.167 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -17.674 -13.281 -5.885 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -16.269 -9.565 7.424 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.871 -10.120 6.929 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -15.988 -8.898 6.798 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.859 -14.515 -3.745 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -16.136 -15.243 -3.189 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -14.932 -14.396 -3.539 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -19.412 -22.591 5.721 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -18.714 -22.517 6.371 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -19.793 -23.455 5.876 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -20.959 -10.808 -4.319 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -21.776 -10.311 -4.266 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -20.430 -10.333 -4.959 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -20.892 -20.225 6.838 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -20.773 -19.651 7.595 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -20.237 -20.913 6.953 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -16.086 -18.567 1.769 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -16.883 -18.982 1.440 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -15.641 -19.258 2.260 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -14.999 -9.311 3.391 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -15.155 -8.633 2.734 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -14.067 -9.239 3.594 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -20.596 -10.213 -7.386 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -21.240 -10.844 -7.064 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -19.834 -10.744 -7.618 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -18.111 -11.341 9.968 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -18.462 -12.197 10.211 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.385 -11.198 10.575 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -19.685 -13.439 -7.559 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.953 -13.259 -6.658 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -19.891 -14.365 -7.690 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -16.988 -14.944 7.389 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -16.243 -14.356 7.269 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -17.745 -14.362 7.452 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -19.579 -16.150 10.645 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -18.626 -16.066 10.617 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -19.739 -16.861 11.264 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -24.259 -21.266 8.450 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -24.109 -21.995 7.847 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -24.257 -20.489 7.891 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -23.847 -22.896 5.942 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -23.311 -22.445 5.290 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -24.699 -23.004 5.520 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -17.849 -19.642 11.210 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -17.657 -20.573 11.099 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -16.992 -19.217 11.200 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -16.533 -16.853 9.288 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -16.814 -16.144 8.710 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -15.590 -16.926 9.137 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -25.781 -20.068 10.361 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -26.548 -20.600 10.151 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -25.102 -20.378 9.762 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -23.041 -25.440 6.374 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -23.139 -24.493 6.268 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -23.784 -25.812 5.898 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -22.919 -7.580 -5.725 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -21.986 -7.422 -5.581 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -23.183 -6.905 -6.350 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -12.283 -8.661 3.620 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -12.305 -8.476 4.559 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -11.593 -8.092 3.279 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -12.720 -9.094 6.542 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -13.207 -9.829 6.171 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -12.171 -9.487 7.220 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -12.968 -15.047 -3.306 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -12.118 -14.626 -3.178 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -12.963 -15.787 -2.698 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -12.574 -16.994 -1.482 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -13.300 -17.473 -1.084 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -11.993 -16.788 -0.750 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -12.815 -14.209 3.466 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -11.981 -14.587 3.185 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.703 -13.266 3.347 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -14.328 -11.331 5.773 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -14.976 -11.006 6.398 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.846 -11.771 5.098 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -12.306 -17.093 -5.091 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -12.827 -16.736 -5.810 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -12.339 -16.418 -4.413 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -13.957 -19.853 -6.540 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -13.860 -19.186 -7.220 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -14.097 -20.669 -7.022 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -14.465 -20.309 2.979 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -13.532 -20.097 2.945 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -14.700 -20.207 3.902 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -14.436 -19.572 5.755 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -15.279 -19.304 6.121 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -13.993 -18.750 5.544 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -15.545 -8.571 -0.808 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -14.892 -8.918 -1.416 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -15.034 -8.082 -0.162 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.694 -7.475 5.487 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -15.876 -6.559 5.276 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -15.518 -7.885 4.640 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -15.060 -25.837 1.712 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -14.456 -25.289 1.211 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -15.929 -25.517 1.472 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -13.333 -24.698 0.046 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -12.721 -25.212 -0.481 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -12.950 -23.820 0.069 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -17.739 -25.353 0.884 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -17.663 -25.258 -0.065 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -18.015 -26.261 1.013 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -20.274 -8.354 -5.480 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -19.408 -7.988 -5.658 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -20.521 -8.794 -6.293 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -25.945 -25.445 10.475 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -25.046 -25.719 10.290 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -26.331 -26.188 10.939 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -18.797 -16.154 18.236 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -18.708 -15.210 18.104 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -19.436 -16.429 17.578 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -19.864 -16.899 21.655 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.902 -17.545 22.360 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -20.187 -17.365 20.884 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -16.158 -13.960 19.957 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -16.599 -14.680 20.407 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -16.171 -13.239 20.587 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -18.334 -20.072 22.389 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -18.191 -21.019 22.409 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -18.440 -19.865 21.460 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -15.646 -12.120 22.305 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.588 -12.062 22.466 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.370 -11.214 22.168 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -15.346 -23.834 23.722 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -16.082 -23.223 23.684 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -14.662 -23.419 23.196 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -22.343 -25.747 21.188 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -22.460 -26.696 21.134 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -23.198 -25.415 21.461 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -16.235 -12.438 17.439 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -16.492 -13.128 16.827 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -16.164 -12.881 18.284 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -14.549 -13.872 25.916 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -14.409 -14.463 25.177 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.381 -12.999 25.560 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -20.076 -16.910 15.688 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -20.788 -16.375 15.337 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -19.385 -16.854 15.028 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -20.022 -18.452 12.727 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -19.321 -18.430 13.378 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -19.720 -19.080 12.071 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -16.670 -16.700 16.640 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -17.402 -16.472 17.213 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -16.223 -17.414 17.095 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.799 -17.538 14.325 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.220 -17.388 15.072 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -17.385 -17.067 13.602 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -11.994 -11.191 27.493 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -12.043 -12.146 27.456 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -12.820 -10.923 27.895 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -17.499 -8.691 13.178 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -17.124 -9.435 12.707 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -17.495 -8.961 14.096 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -20.411 -25.122 25.340 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -19.991 -25.537 26.093 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -21.344 -25.300 25.457 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -17.085 -21.366 26.194 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -17.599 -21.492 26.991 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -17.240 -20.454 25.949 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -16.322 -16.505 11.955 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -16.280 -16.728 11.025 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.473 -16.107 12.145 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -19.450 -19.241 16.790 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.859 -18.426 16.498 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.730 -19.381 16.175 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -20.348 -19.066 28.278 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -20.911 -19.770 28.598 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -19.522 -19.186 28.745 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -18.446 -19.795 19.604 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -18.641 -19.190 18.889 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -18.264 -20.629 19.169 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -23.867 -22.184 11.726 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -24.298 -22.629 12.456 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -24.585 -21.812 11.214 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -19.182 -18.157 24.275 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -18.858 -18.788 23.632 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -19.622 -18.692 24.936 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -22.404 -22.230 19.059 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -23.315 -22.173 19.348 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -21.899 -22.290 19.870 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -23.923 -20.601 15.542 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -22.991 -20.472 15.720 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -24.138 -19.931 14.893 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -25.249 -19.406 13.109 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -25.791 -19.786 12.418 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -24.415 -19.212 12.680 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -21.084 -19.442 20.946 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -20.520 -19.989 20.399 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -21.232 -19.964 21.735 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -22.458 -21.054 23.360 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -23.293 -20.600 23.470 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -21.934 -20.778 24.112 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.298 -20.160 14.905 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -16.406 -20.297 15.224 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.241 -19.369 14.368 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -12.449 -14.150 27.436 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -13.301 -13.912 27.069 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -11.859 -14.167 26.683 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -14.117 -11.164 15.064 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.490 -11.990 15.374 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.840 -11.347 14.167 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.957 -16.356 22.086 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.885 -16.588 22.059 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -16.506 -17.133 21.756 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.928 -14.117 23.811 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -19.354 -14.344 24.637 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -18.347 -14.855 23.628 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -16.725 -13.188 12.885 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -16.372 -13.568 13.689 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -17.674 -13.281 12.971 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -12.221 -8.708 13.086 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -11.478 -8.122 12.946 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -12.916 -8.140 13.419 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.859 -14.515 15.111 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -16.136 -15.243 15.667 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.932 -14.396 15.317 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -19.412 -22.591 24.577 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -18.714 -22.517 25.227 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -19.793 -23.455 24.732 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -21.428 -21.211 16.509 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -20.616 -20.707 16.555 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -21.673 -21.356 17.423 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -20.892 -20.225 25.694 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -20.773 -19.651 26.451 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -20.237 -20.913 25.809 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -20.544 -24.130 17.447 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -20.891 -23.512 18.092 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -19.886 -23.629 16.966 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -24.887 -23.067 14.135 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -24.970 -22.178 14.481 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -23.997 -23.332 14.366 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -14.999 -9.311 22.247 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.155 -8.633 21.590 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -14.067 -9.239 22.450 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -15.992 -10.396 11.704 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.709 -11.190 12.157 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.252 -10.163 11.143 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -16.988 -14.944 26.245 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -16.243 -14.356 26.125 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.745 -14.362 26.308 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -22.817 -18.271 12.130 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -22.997 -18.425 11.202 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -21.866 -18.163 12.174 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -19.579 -16.150 29.501 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -18.626 -16.066 29.473 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -19.739 -16.861 30.120 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -17.849 -19.642 30.066 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -17.657 -20.573 29.955 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -16.992 -19.217 30.056 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -16.533 -16.853 28.144 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -16.814 -16.144 27.566 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -15.590 -16.926 27.993 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -19.061 -21.991 27.869 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -20.009 -21.959 28.001 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -18.749 -22.616 28.523 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -17.427 -23.357 29.874 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -17.524 -24.309 29.868 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -17.749 -23.088 30.735 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -12.283 -8.661 22.476 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -12.305 -8.476 23.415 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -11.593 -8.092 22.135 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -12.720 -9.094 25.398 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -13.207 -9.829 25.027 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -12.171 -9.487 26.076 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -14.269 -13.304 30.036 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -15.135 -13.409 30.430 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -13.893 -12.545 30.483 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -14.328 -11.331 24.629 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -14.976 -11.006 25.254 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -14.846 -11.771 23.954 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -15.545 -8.571 18.048 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -14.892 -8.918 17.440 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -15.034 -8.082 18.694 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -23.296 -25.383 18.091 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -22.422 -24.995 18.061 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -23.432 -25.598 19.014 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -27.178 -23.596 12.524 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -26.687 -24.226 11.996 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -26.555 -23.300 13.187 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -22.152 -23.303 14.981 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -21.974 -23.949 15.664 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -22.206 -22.469 15.448 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.565 -8.791 16.056 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.759 -9.539 15.491 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.604 -8.033 15.472 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -17.523 -26.113 29.513 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -17.447 -26.539 30.367 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -16.630 -26.099 29.171 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -16.322 -16.505 30.811 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -16.280 -16.728 29.881 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -15.473 -16.107 31.001 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -18.016 -22.027 32.100 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -18.954 -21.915 31.949 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -17.719 -21.170 32.406 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.427 -15.916 30.431 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -13.700 -16.341 29.618 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.387 -14.985 30.214 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -12.968 -15.047 34.406 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -12.118 -14.626 34.534 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -12.963 -15.787 35.014 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -12.574 -16.994 36.230 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -13.300 -17.473 36.628 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -11.993 -16.788 36.962 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -12.306 -17.093 32.621 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -12.827 -16.736 31.902 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -12.339 -16.418 33.299 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -13.957 -19.853 31.172 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.860 -19.186 30.492 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -14.097 -20.669 30.690 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -14.787 -18.473 36.793 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -14.937 -19.418 36.773 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -15.141 -18.192 37.637 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -15.077 -20.890 35.255 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -14.797 -21.797 35.380 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -14.318 -20.456 34.866 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -14.463 -23.627 35.304 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -14.281 -24.076 36.129 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -15.063 -24.212 34.840 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.060 -25.837 39.424 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -14.456 -25.289 38.923 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -15.929 -25.517 39.184 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -13.333 -24.698 37.758 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -12.721 -25.212 37.231 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -12.950 -23.820 37.781 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -16.386 -25.327 34.289 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -17.089 -24.713 34.079 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -16.831 -26.165 34.420 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -18.334 -1.216 -15.323 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -18.191 -2.163 -15.303 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -18.440 -1.009 -16.252 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -17.457 -2.984 -19.650 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -16.811 -3.313 -19.025 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -16.947 -2.466 -20.273 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -12.420 -2.531 -12.554 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -13.109 -1.873 -12.649 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -12.405 -2.728 -11.617 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -15.693 -3.693 -17.669 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -15.908 -4.459 -17.137 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -15.037 -3.221 -17.156 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -22.343 -6.891 -16.524 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -22.460 -7.840 -16.578 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -23.198 -6.559 -16.251 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -16.773 0.330 -12.004 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -16.693 1.093 -11.432 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -17.374 0.609 -12.695 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -14.842 -0.842 -9.739 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -15.249 -0.361 -10.459 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -14.801 -1.747 -10.046 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -25.074 -5.988 -15.746 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -25.935 -6.075 -16.154 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -25.096 -5.132 -15.319 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -20.348 -0.210 -9.434 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -20.911 -0.914 -9.114 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -19.522 -0.330 -8.967 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -18.446 -0.939 -18.108 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -18.641 -0.334 -18.823 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -18.264 -1.773 -18.543 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -19.182 0.699 -13.437 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -18.858 0.068 -14.080 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -19.622 0.164 -12.776 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -22.404 -3.374 -18.653 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -23.315 -3.317 -18.364 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -21.899 -3.434 -17.842 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -21.084 -0.586 -16.766 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -20.520 -1.133 -17.313 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -21.232 -1.108 -15.977 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -22.458 -2.198 -14.352 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -23.293 -1.744 -14.242 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -21.934 -1.922 -13.600 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -22.764 1.288 -9.370 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -23.060 1.122 -10.265 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -21.833 1.068 -9.380 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -20.892 -1.369 -12.018 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -20.773 -0.795 -11.261 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -20.237 -2.057 -11.903 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -20.544 -5.274 -20.265 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -20.891 -4.656 -19.620 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -19.886 -4.773 -20.746 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -16.086 0.289 -17.087 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -16.883 -0.126 -17.416 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -15.641 -0.402 -16.596 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -19.579 2.706 -8.211 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -18.626 2.790 -8.239 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -19.739 1.995 -7.592 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -24.259 -2.410 -10.406 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -24.109 -3.139 -11.009 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -24.257 -1.633 -10.965 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -23.847 -4.040 -12.914 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -23.311 -3.589 -13.566 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -24.699 -4.148 -13.336 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -16.533 2.003 -9.568 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -16.814 2.712 -10.146 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -15.590 1.930 -9.719 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -23.041 -6.584 -12.482 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -23.139 -5.637 -12.588 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -23.784 -6.956 -12.958 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -21.777 -2.262 -8.919 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -22.013 -2.482 -8.017 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -22.560 -2.469 -9.428 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -22.819 -7.290 -9.811 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -22.107 -7.930 -9.825 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -22.920 -7.023 -10.725 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -22.466 -5.607 -7.757 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -22.597 -6.083 -8.578 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -23.065 -4.863 -7.813 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -13.931 2.353 -10.136 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -13.348 1.619 -9.945 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -13.367 3.125 -10.090 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -12.434 0.256 -9.452 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -13.297 -0.123 -9.617 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -11.830 -0.483 -9.526 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -14.465 -1.453 -15.877 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -13.532 -1.241 -15.911 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -14.700 -1.351 -14.954 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -14.436 -0.716 -13.101 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -15.279 -0.448 -12.735 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -13.993 0.106 -13.312 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -20.202 -5.088 -17.256 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -20.877 -5.717 -17.001 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -19.638 -5.572 -17.859 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -15.060 -6.981 -17.144 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -14.456 -6.433 -17.645 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -15.929 -6.661 -17.384 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -13.333 -5.842 -18.810 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -12.721 -6.356 -19.337 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -12.950 -4.964 -18.787 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -17.739 -6.497 -17.972 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -17.663 -6.402 -18.921 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -18.015 -7.405 -17.843 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -18.797 2.702 -0.620 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -18.708 3.646 -0.752 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -19.436 2.427 -1.278 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -12.812 -4.009 4.066 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -12.763 -3.399 4.802 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -12.386 -3.548 3.343 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -17.457 -2.984 -0.794 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -16.811 -3.313 -0.169 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -16.947 -2.466 -1.417 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -15.693 -3.693 1.187 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -15.908 -4.459 1.719 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -15.037 -3.221 1.700 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -20.076 1.946 -3.168 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -20.788 2.481 -3.519 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -19.385 2.002 -3.828 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -16.670 2.156 -2.216 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -17.402 2.384 -1.643 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -16.223 1.442 -1.761 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -17.799 1.318 -4.531 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -17.220 1.468 -3.784 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -17.385 1.789 -5.254 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -16.322 2.351 -6.901 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -16.280 2.128 -7.831 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -15.473 2.749 -6.711 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -19.450 -0.385 -2.066 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -19.859 0.430 -2.358 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -18.730 -0.525 -2.681 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -18.446 -0.939 0.748 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -18.641 -0.334 0.033 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -18.264 -1.773 0.313 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -23.867 -3.328 -7.130 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -24.298 -3.773 -6.400 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -24.585 -2.956 -7.642 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -22.404 -3.374 0.203 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -23.315 -3.317 0.492 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -21.899 -3.434 1.014 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -23.923 -1.745 -3.314 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -22.991 -1.616 -3.136 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -24.138 -1.075 -3.963 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -25.249 -0.550 -5.747 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -25.791 -0.930 -6.438 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -24.415 -0.356 -6.176 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -15.859 4.341 -3.745 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -16.136 3.613 -3.189 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.932 4.460 -3.539 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -21.428 -2.355 -2.347 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -20.616 -1.851 -2.301 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -21.673 -2.500 -1.433 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -20.544 -5.274 -1.409 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -20.891 -4.656 -0.764 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -19.886 -4.773 -1.890 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -24.887 -4.211 -4.721 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -24.970 -3.322 -4.375 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -23.997 -4.476 -4.490 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -16.086 0.289 1.769 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -16.883 -0.126 1.440 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -15.641 -0.402 2.260 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -23.888 2.342 -4.989 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -24.347 1.858 -4.303 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -23.633 1.674 -5.625 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -22.817 0.585 -6.726 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -22.997 0.431 -7.654 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -21.866 0.693 -6.682 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -13.427 2.940 -7.281 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -13.700 2.515 -8.094 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -13.387 3.871 -7.498 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -12.968 3.809 -3.306 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -12.118 4.230 -3.178 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -12.963 3.069 -2.698 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -12.574 1.862 -1.482 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -13.300 1.383 -1.084 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -11.993 2.068 -0.750 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -14.787 0.383 -0.919 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -14.937 -0.562 -0.939 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -15.141 0.664 -0.075 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -14.465 -1.453 2.979 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -13.532 -1.241 2.945 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -14.700 -1.351 3.902 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -12.153 -6.736 11.109 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -11.803 -7.390 10.503 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -12.006 -5.899 10.669 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -12.633 -4.627 9.458 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -13.550 -4.356 9.422 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -12.510 -5.162 8.674 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -13.632 -6.537 7.277 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -14.445 -6.212 6.889 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -13.399 -7.297 6.744 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -15.060 -6.981 1.712 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -14.456 -6.433 1.211 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -15.929 -6.661 1.472 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -23.296 -6.527 -0.765 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -22.422 -6.139 -0.795 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -23.432 -6.742 0.158 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -17.739 -6.497 0.884 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -17.663 -6.402 -0.065 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -18.015 -7.405 1.013 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -22.152 -4.447 -3.875 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -21.974 -5.093 -3.192 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -22.206 -3.613 -3.408 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -17.523 -7.257 10.657 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -17.447 -7.683 11.511 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -16.630 -7.243 10.315 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.101 -6.932 14.138 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -15.000 -6.793 14.433 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -13.849 -6.101 13.736 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -12.597 -4.704 12.976 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -12.184 -5.425 12.500 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -11.915 -4.034 13.034 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -13.333 -5.842 18.902 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -12.721 -6.356 18.375 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -12.950 -4.964 18.925 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -8.640 -36.140 4.392 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -8.598 -36.766 5.116 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -7.937 -35.517 4.574 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 2.698 -32.816 1.101 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 2.257 -33.536 1.551 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 2.685 -32.095 1.731 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -7.716 -31.690 2.927 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -8.086 -32.492 2.558 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -6.775 -31.859 2.974 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -10.396 -35.868 0.446 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -10.182 -36.638 0.973 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -9.658 -35.779 -0.157 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -0.191 -27.711 1.313 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 0.429 -28.388 1.040 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -0.399 -27.929 2.221 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -2.619 -33.322 3.205 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -2.315 -34.008 2.611 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -1.897 -33.204 3.823 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -9.703 -38.430 1.567 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -9.049 -38.980 1.999 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -9.679 -38.704 0.651 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -4.944 -34.233 5.167 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -5.684 -33.635 5.270 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -4.230 -33.679 4.851 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -6.536 -32.269 5.954 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -6.542 -31.390 5.576 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -7.390 -32.352 6.379 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -10.415 -32.598 -3.264 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -10.687 -32.369 -4.153 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -10.370 -31.760 -2.804 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 3.210 -30.976 3.449 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 2.268 -30.918 3.610 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 3.486 -30.070 3.312 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 1.462 -29.195 0.074 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 1.887 -29.902 -0.411 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 1.779 -28.394 -0.343 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 4.307 -32.728 7.060 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 4.447 -33.319 6.321 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 4.475 -31.855 6.704 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -4.802 -31.498 2.348 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -4.897 -32.076 1.591 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -4.073 -31.869 2.844 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -5.802 -36.157 3.300 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -5.237 -36.036 2.537 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -5.483 -35.520 3.939 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -1.217 -29.657 -1.096 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -0.743 -29.362 -0.318 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -1.780 -28.919 -1.329 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 6.862 -30.047 8.637 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 6.813 -31.002 8.600 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 6.036 -29.779 9.039 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -1.745 -26.701 -2.681 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -1.820 -26.822 -3.627 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -1.712 -25.751 -2.562 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -8.091 -27.912 -0.900 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -7.939 -28.260 -0.021 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -8.942 -28.268 -1.155 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -6.127 -38.734 4.205 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -6.769 -38.775 4.914 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -6.090 -37.808 3.967 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -1.492 -37.922 9.422 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -2.055 -38.626 9.742 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -0.666 -38.042 9.889 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -8.377 -38.414 6.072 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -8.415 -38.014 6.940 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -8.868 -39.231 6.162 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 4.092 -34.564 4.975 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 4.734 -34.107 4.432 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 3.262 -34.451 4.513 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -1.538 -33.513 7.426 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -1.884 -33.894 8.232 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -1.738 -32.579 7.497 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -7.933 -34.402 1.958 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -7.188 -34.404 1.357 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -7.855 -35.226 2.440 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -3.908 -36.424 9.486 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -4.204 -36.590 8.591 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -2.977 -36.644 9.476 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 6.407 -33.006 8.580 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 5.555 -32.768 8.213 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 6.997 -33.023 7.827 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 1.899 -35.212 3.230 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 0.971 -35.444 3.203 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 2.350 -35.989 2.900 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -5.558 -30.884 -0.637 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -5.031 -30.111 -0.838 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -6.438 -30.659 -0.939 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -5.447 -28.199 -1.516 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -6.397 -28.094 -1.464 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -5.096 -27.379 -1.171 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -0.072 -32.973 4.955 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -0.498 -33.200 5.781 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 0.509 -33.711 4.772 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -9.291 -41.188 6.831 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -10.184 -40.849 6.764 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -9.390 -42.043 7.249 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -9.718 -30.109 -1.711 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -10.550 -29.636 -1.684 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -9.172 -29.599 -2.310 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -3.867 -33.716 10.006 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -4.195 -33.445 9.148 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -3.715 -34.657 9.918 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 1.868 -33.800 7.389 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 2.613 -33.212 7.269 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 1.111 -33.218 7.452 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -5.743 -37.477 7.367 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -6.361 -36.802 7.648 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -5.399 -37.156 6.534 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -0.723 -35.006 10.645 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 0.230 -34.922 10.617 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -0.883 -35.717 11.264 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -3.409 -36.313 6.182 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -2.658 -36.469 5.609 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -3.748 -35.461 5.906 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 1.007 -38.498 11.210 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 1.199 -39.429 11.099 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 1.864 -38.073 11.200 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 2.323 -35.709 9.288 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 2.042 -35.000 8.710 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 3.266 -35.782 9.137 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -6.925 -38.924 10.361 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -7.692 -39.456 10.151 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -6.246 -39.234 9.762 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -11.846 -26.407 -1.165 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -12.493 -26.869 -1.698 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -11.491 -27.079 -0.582 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 6.573 -27.517 3.620 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 6.551 -27.332 4.559 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 7.263 -26.948 3.279 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 4.587 -32.160 11.180 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 3.721 -32.265 11.574 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 4.963 -31.401 11.627 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 6.041 -33.065 3.466 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 6.875 -33.443 3.185 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 6.153 -32.122 3.347 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -10.896 -35.251 3.091 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -10.712 -35.333 2.156 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -10.047 -35.375 3.515 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -11.298 -39.980 9.232 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -10.379 -40.102 9.468 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -11.748 -40.730 9.621 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -11.773 -38.669 3.192 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -11.281 -38.890 2.402 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -11.411 -37.828 3.473 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 3.311 -27.427 -0.808 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 3.964 -27.774 -1.416 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 3.822 -26.938 -0.162 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -6.350 -29.523 5.994 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -6.775 -28.714 5.711 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -5.445 -29.438 5.692 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -9.533 -27.644 2.952 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -9.552 -28.069 3.809 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -8.728 -27.962 2.543 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -7.392 -28.934 1.607 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -7.611 -29.850 1.776 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -6.568 -28.794 2.073 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -4.855 -28.464 2.455 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -4.642 -29.352 2.168 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -4.790 -28.498 3.410 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -10.282 -28.420 -3.877 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -10.967 -28.458 -4.545 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -10.279 -27.507 -3.589 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 0.059 -35.010 18.236 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 0.148 -34.066 18.104 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -0.580 -35.285 17.578 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -8.640 -36.140 23.248 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -8.598 -36.766 23.972 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -7.937 -35.517 23.430 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 2.698 -32.816 19.957 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 2.257 -33.536 20.407 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 2.685 -32.095 20.587 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -10.396 -35.868 19.302 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -10.182 -36.638 19.829 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.658 -35.779 18.699 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 0.522 -38.928 22.389 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 0.665 -39.875 22.409 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 0.416 -38.721 21.460 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -6.323 -40.827 19.661 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -6.280 -39.967 19.243 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -6.781 -41.379 19.028 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -9.703 -38.430 20.423 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -9.049 -38.980 20.855 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -9.679 -38.704 19.507 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -7.919 -40.017 21.688 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -7.306 -39.384 22.061 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -7.407 -40.489 21.031 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -10.415 -32.598 15.592 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -10.687 -32.369 14.703 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -10.370 -31.760 16.052 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 3.210 -30.976 22.305 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 2.268 -30.918 22.466 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 3.486 -30.070 22.168 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 4.307 -32.728 25.916 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 4.447 -33.319 25.177 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 4.475 -31.855 25.560 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -1.220 -35.766 15.688 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -1.932 -35.231 15.337 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -0.529 -35.710 15.028 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -1.166 -37.308 12.727 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -0.465 -37.286 13.378 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.864 -37.936 12.071 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 6.149 -36.388 23.982 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 5.497 -35.693 24.071 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 6.614 -36.178 23.172 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 2.186 -35.556 16.640 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 1.454 -35.328 17.213 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 2.633 -36.270 17.095 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 2.083 -37.382 25.708 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 2.163 -36.619 26.280 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 1.482 -37.103 25.017 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -6.169 -34.926 18.523 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -6.499 -35.296 17.704 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -5.581 -35.596 18.869 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 1.057 -36.394 14.325 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 1.636 -36.244 15.072 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 1.471 -35.923 13.602 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -8.002 -35.560 26.102 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -7.932 -34.909 26.800 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -8.893 -35.457 25.767 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.179 -35.856 16.112 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -7.471 -35.088 15.621 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.853 -36.516 15.949 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -11.086 -33.493 24.927 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -11.587 -33.521 24.112 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -11.080 -34.399 25.237 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 2.534 -35.361 11.955 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 2.576 -35.584 11.025 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 3.383 -34.963 12.145 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -6.127 -38.734 23.061 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -6.769 -38.775 23.770 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -6.090 -37.808 22.823 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -6.130 -38.513 17.973 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -7.023 -38.854 17.914 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -5.679 -38.890 17.217 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -0.594 -38.097 16.790 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -1.003 -37.282 16.498 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 0.126 -38.237 16.175 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -1.492 -37.922 28.278 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -2.055 -38.626 28.598 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -0.666 -38.042 28.745 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 0.410 -38.651 19.604 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 0.215 -38.046 18.889 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 0.592 -39.485 19.169 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -8.377 -38.414 24.928 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -8.415 -38.014 25.796 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -8.868 -39.231 25.018 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -0.326 -37.013 24.275 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -0.002 -37.644 23.632 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -0.766 -37.548 24.936 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -3.548 -41.086 19.059 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -4.459 -41.029 19.348 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -3.043 -41.146 19.870 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -8.720 -39.457 17.886 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -9.609 -39.357 17.546 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -8.424 -40.299 17.540 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -5.067 -39.457 15.542 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -4.135 -39.328 15.720 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -5.282 -38.787 14.893 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -6.393 -38.262 13.109 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -6.935 -38.642 12.418 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -5.559 -38.068 12.680 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -2.228 -38.298 20.946 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -1.664 -38.845 20.399 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -2.376 -38.820 21.735 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -3.602 -39.910 23.360 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -4.437 -39.456 23.470 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -3.078 -39.634 24.112 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 4.092 -34.564 23.831 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 4.734 -34.107 23.288 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 3.262 -34.451 23.369 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -7.933 -34.402 20.814 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -7.188 -34.404 20.213 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -7.855 -35.226 21.296 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -10.925 -35.941 26.129 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -10.702 -36.359 26.961 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -11.527 -36.554 25.707 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -3.908 -36.424 28.342 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -4.204 -36.590 27.447 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -2.977 -36.644 28.332 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 6.407 -33.006 27.436 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 5.555 -32.768 27.069 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 6.997 -33.023 26.683 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 1.899 -35.212 22.086 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 0.971 -35.444 22.059 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 2.350 -35.989 21.756 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -9.803 -36.022 12.806 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -9.187 -35.395 13.185 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -10.665 -35.706 13.077 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 2.997 -33.371 15.111 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 2.720 -34.099 15.667 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 3.924 -33.252 15.317 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.388 -34.109 14.298 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -9.074 -33.757 14.865 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -7.865 -33.346 14.052 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -2.572 -40.067 16.509 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -1.760 -39.563 16.555 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -2.817 -40.212 17.423 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -2.036 -39.081 25.694 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -1.917 -38.507 26.451 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -1.381 -39.769 25.809 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 2.770 -37.423 20.625 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 1.973 -37.838 20.296 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 3.215 -38.114 21.116 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -9.456 -38.831 12.311 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -9.501 -37.892 12.490 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -10.344 -39.067 12.041 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -6.181 -33.342 11.561 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -6.117 -34.136 12.092 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -5.528 -33.461 10.872 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 1.868 -33.800 26.245 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 2.613 -33.212 26.125 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 1.111 -33.218 26.308 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -9.690 -36.486 28.849 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -9.282 -37.343 28.728 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -9.950 -36.471 29.770 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -5.032 -35.370 13.867 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -5.491 -35.854 14.553 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -4.777 -36.038 13.231 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -5.743 -37.477 26.223 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -6.361 -36.802 26.504 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -5.399 -37.156 25.390 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -3.961 -37.127 12.130 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -4.141 -37.281 11.202 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -3.010 -37.019 12.174 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -0.723 -35.006 29.501 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 0.230 -34.922 29.473 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -0.883 -35.717 30.120 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 5.429 -34.772 11.575 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 5.156 -35.197 10.762 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 5.469 -33.841 11.358 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -5.403 -40.122 27.306 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -5.253 -40.851 26.703 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -5.401 -39.345 26.747 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -4.991 -41.752 24.798 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -4.455 -41.301 24.146 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -5.843 -41.860 24.376 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 2.323 -35.709 28.144 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 2.042 -35.000 27.566 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 3.266 -35.782 27.993 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -6.925 -38.924 29.217 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -7.692 -39.456 29.007 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -6.246 -39.234 28.618 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 4.587 -32.160 30.036 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 3.721 -32.265 30.430 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 4.963 -31.401 30.483 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 5.888 -33.903 15.550 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 6.738 -33.482 15.678 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 5.893 -34.643 16.158 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 6.282 -35.850 17.374 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 5.556 -36.329 17.772 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 6.863 -35.644 18.106 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 6.041 -33.065 22.322 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 6.875 -33.443 22.041 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 6.153 -32.122 22.203 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 6.550 -35.949 13.765 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 6.029 -35.592 13.046 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 6.517 -35.274 14.443 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -10.896 -35.251 21.947 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -10.712 -35.333 21.012 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -10.047 -35.375 22.371 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 4.925 -35.359 27.576 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 5.508 -36.093 27.767 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 5.489 -34.587 27.622 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -7.716 -31.690 40.639 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -8.086 -32.492 40.270 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -6.775 -31.859 40.686 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -11.106 -38.030 36.032 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -11.554 -37.184 36.014 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -11.667 -38.610 35.517 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -10.396 -35.868 38.158 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -10.182 -36.638 38.685 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -9.658 -35.779 37.555 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -0.191 -27.711 39.025 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 0.429 -28.388 38.752 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -0.399 -27.929 39.933 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -0.144 -32.409 36.135 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -0.440 -32.731 35.284 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -0.468 -31.509 36.177 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 1.462 -29.195 37.786 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 1.887 -29.902 37.301 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 1.779 -28.394 37.369 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 2.621 -31.294 36.295 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 2.364 -31.984 35.683 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 2.692 -31.737 37.140 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -1.220 -35.766 34.544 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -1.932 -35.231 34.193 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -0.529 -35.710 33.884 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -1.166 -37.308 31.583 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -0.465 -37.286 32.234 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -0.864 -37.936 30.927 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -6.169 -34.926 37.379 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -6.499 -35.296 36.560 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.581 -35.596 37.725 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -4.802 -31.498 40.060 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -4.897 -32.076 39.303 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -4.073 -31.869 40.556 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -1.217 -29.657 36.616 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -0.743 -29.362 37.394 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -1.780 -28.919 36.383 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -7.179 -35.856 34.968 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -7.471 -35.088 34.477 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -7.853 -36.516 34.805 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -11.335 -30.713 40.667 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -10.389 -30.857 40.648 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -11.448 -29.929 41.204 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -1.745 -26.701 35.031 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -1.820 -26.822 34.085 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -1.712 -25.751 35.150 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 2.534 -35.361 30.811 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 2.576 -35.584 29.881 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 3.383 -34.963 31.001 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.393 -38.262 31.965 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -6.935 -38.642 31.274 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -5.559 -38.068 31.536 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 -3.058 -33.697 33.901 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 -3.802 -34.204 33.578 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 -3.192 -33.648 34.847 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -7.933 -34.402 39.670 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -7.188 -34.404 39.069 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -7.855 -35.226 40.152 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -0.932 -32.238 32.926 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -1.227 -31.412 33.308 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -1.635 -32.858 33.122 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 4.739 -30.020 33.920 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 4.366 -30.846 34.230 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 5.016 -30.203 33.023 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -5.558 -30.884 37.075 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -5.031 -30.111 36.874 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -6.438 -30.659 36.773 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -9.803 -36.022 31.662 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -9.187 -35.395 32.041 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -10.665 -35.706 31.933 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -4.131 -33.221 36.651 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -4.372 -32.296 36.693 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -4.871 -33.680 37.047 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 2.131 -32.044 31.741 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 2.484 -32.424 32.545 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 1.182 -32.137 31.827 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 2.997 -33.371 33.967 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 2.720 -34.099 34.523 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 3.924 -33.252 34.173 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -9.640 -29.383 42.978 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -9.423 -30.315 42.947 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -9.393 -29.109 43.862 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -8.388 -34.109 33.154 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -9.074 -33.757 33.721 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -7.865 -33.346 32.908 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -2.103 -29.664 33.393 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -2.920 -29.167 33.446 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -1.574 -29.189 32.753 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -5.032 -35.370 32.723 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -5.491 -35.854 33.409 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -4.777 -36.038 32.087 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -3.961 -37.127 30.986 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -4.141 -37.281 30.058 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -3.010 -37.019 31.030 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 5.429 -34.772 30.431 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 5.156 -35.197 29.618 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 5.469 -33.841 30.214 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 5.888 -33.903 34.406 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 6.738 -33.482 34.534 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 5.893 -34.643 35.014 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -10.896 -35.251 40.803 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -10.712 -35.333 39.868 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -10.047 -35.375 41.227 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 3.311 -27.427 36.904 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 3.964 -27.774 36.296 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 3.822 -26.938 37.550 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -6.481 -26.667 42.783 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -7.346 -26.595 43.187 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -6.536 -26.120 41.999 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -9.533 -27.644 40.664 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.552 -28.069 41.521 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -8.728 -27.962 40.255 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -7.392 -28.934 39.319 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -7.611 -29.850 39.488 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -6.568 -28.794 39.785 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -4.855 -28.464 40.167 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -4.642 -29.352 39.880 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -4.790 -28.498 41.122 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 0.059 -16.154 -19.476 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 0.148 -15.210 -19.608 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -0.580 -16.429 -20.134 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 -1.008 -16.899 -16.057 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 -1.046 -17.545 -15.352 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 -1.331 -17.365 -16.828 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 2.698 -13.960 -17.755 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 2.257 -14.680 -17.305 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 2.685 -13.239 -17.125 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -11.106 -19.174 -20.536 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -11.554 -18.328 -20.554 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -11.667 -19.754 -21.051 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -10.396 -17.012 -18.410 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -10.182 -17.782 -17.883 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -9.658 -16.923 -19.013 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -0.191 -8.855 -17.543 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 0.429 -9.532 -17.816 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -0.399 -9.073 -16.635 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -6.323 -21.971 -18.051 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -6.280 -21.111 -18.469 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -6.781 -22.523 -18.684 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -9.703 -19.574 -17.289 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -9.049 -20.124 -16.857 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -9.679 -19.848 -18.205 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -4.547 -18.024 -18.073 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -3.931 -18.550 -17.564 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -5.133 -18.664 -18.477 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -0.144 -13.553 -20.433 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -0.440 -13.875 -21.284 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -0.468 -12.653 -20.391 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -7.919 -21.161 -16.024 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -7.306 -20.528 -15.651 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -7.407 -21.633 -16.681 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -10.415 -13.742 -22.120 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -10.687 -13.513 -23.009 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -10.370 -12.904 -21.660 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 3.210 -12.120 -15.407 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 2.268 -12.062 -15.246 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 3.486 -11.214 -15.544 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 1.462 -10.339 -18.782 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 1.887 -11.046 -19.267 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 1.779 -9.538 -19.199 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 4.307 -13.872 -11.796 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 4.447 -14.463 -12.535 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 4.475 -12.999 -12.152 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 2.083 -18.526 -12.004 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 2.163 -17.763 -11.432 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 1.482 -18.247 -12.695 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -6.169 -16.070 -19.189 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -6.499 -16.440 -20.008 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -5.581 -16.740 -18.843 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -1.217 -10.801 -19.952 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -0.743 -10.506 -19.174 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -1.780 -10.063 -20.185 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -7.179 -17.000 -21.600 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -7.471 -16.232 -22.091 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -7.853 -17.660 -21.763 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -8.091 -9.056 -19.756 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -7.939 -9.404 -18.877 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -8.942 -9.412 -20.011 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -6.127 -19.878 -14.651 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -6.769 -19.919 -13.942 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -6.090 -18.952 -14.889 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -6.130 -19.657 -19.739 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -7.023 -19.998 -19.798 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -5.679 -20.034 -20.495 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -1.492 -19.066 -9.434 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -2.055 -19.770 -9.114 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -0.666 -19.186 -8.967 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -8.377 -19.558 -12.784 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -8.415 -19.158 -11.916 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -8.868 -20.375 -12.694 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -0.326 -18.157 -13.437 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -0.002 -18.788 -14.080 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -0.766 -18.692 -12.776 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -8.720 -20.601 -19.826 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.609 -20.501 -20.166 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -8.424 -21.443 -20.172 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -2.228 -19.442 -16.766 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.664 -19.989 -17.313 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -2.376 -19.964 -15.977 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -3.602 -21.054 -14.352 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -4.437 -20.600 -14.242 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -3.078 -20.778 -13.600 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 4.092 -15.708 -13.881 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 4.734 -15.251 -14.424 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 3.262 -15.595 -14.343 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -10.925 -17.085 -11.583 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -10.702 -17.503 -10.751 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -11.527 -17.698 -12.005 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -3.908 -17.568 -9.370 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -4.204 -17.734 -10.265 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -2.977 -17.788 -9.380 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 1.899 -16.356 -15.626 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 0.971 -16.588 -15.653 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 2.350 -17.133 -15.956 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -5.558 -12.028 -19.493 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -5.031 -11.255 -19.694 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -6.438 -11.803 -19.795 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -4.131 -14.365 -19.917 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -4.372 -13.440 -19.875 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -4.871 -14.824 -19.521 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -5.447 -9.343 -20.372 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -6.397 -9.238 -20.320 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -5.096 -8.523 -20.027 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 2.587 -9.565 -11.432 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 1.985 -10.120 -11.927 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 2.868 -8.898 -12.058 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -9.291 -22.332 -12.025 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -10.184 -21.993 -12.092 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -9.390 -23.187 -11.607 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -2.036 -20.225 -12.018 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -1.917 -19.651 -11.261 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -1.381 -20.913 -11.903 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 3.857 -9.311 -15.465 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 3.701 -8.633 -16.122 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 4.789 -9.239 -15.262 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -9.718 -11.253 -20.567 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -10.550 -10.780 -20.540 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -9.172 -10.743 -21.166 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 0.745 -11.341 -8.888 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 0.394 -12.197 -8.645 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 1.471 -11.198 -8.281 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 1.868 -14.944 -11.467 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 2.613 -14.356 -11.587 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 1.111 -14.362 -11.404 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -9.690 -17.630 -8.863 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -9.282 -18.487 -8.984 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -9.950 -17.615 -7.942 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -5.743 -18.621 -11.489 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -6.361 -17.946 -11.208 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -5.399 -18.300 -12.322 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -0.723 -16.150 -8.211 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 0.230 -16.066 -8.239 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -0.883 -16.861 -7.592 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -3.409 -17.457 -12.674 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -2.658 -17.613 -13.247 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -3.748 -16.605 -12.950 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 1.007 -19.642 -7.646 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 1.199 -20.573 -7.757 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 1.864 -19.217 -7.656 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 2.323 -16.853 -9.568 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 2.042 -16.144 -10.146 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 3.266 -16.926 -9.719 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -6.925 -20.068 -8.495 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -7.692 -20.600 -8.705 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -6.246 -20.378 -9.094 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -2.921 -21.118 -8.919 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -3.157 -21.338 -8.017 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -3.704 -21.325 -9.428 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.846 -7.551 -20.021 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -12.493 -8.013 -20.554 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -11.491 -8.223 -19.438 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -10.976 -9.470 -18.216 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -11.310 -10.351 -18.044 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -10.754 -9.125 -17.352 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 4.587 -13.304 -7.676 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 3.721 -13.409 -7.282 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 4.963 -12.545 -7.229 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 4.528 -11.331 -13.083 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 3.880 -11.006 -12.458 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 4.010 -11.771 -13.758 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -11.773 -19.813 -15.664 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -11.281 -20.034 -16.454 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -11.411 -18.972 -15.383 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 0.306 -7.983 -10.659 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 0.983 -8.615 -10.899 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 0.628 -7.581 -9.851 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -6.481 -7.811 -13.785 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -7.346 -7.739 -13.381 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -6.536 -7.264 -14.569 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -1.770 -7.923 -14.609 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -2.227 -7.394 -15.263 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -1.607 -7.320 -13.884 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 3.162 -7.475 -13.369 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 2.980 -6.559 -13.580 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 3.338 -7.885 -14.216 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -7.392 -10.078 -17.249 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.611 -10.994 -17.080 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -6.568 -9.938 -16.783 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -4.855 -9.608 -16.401 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -4.642 -10.496 -16.688 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -4.790 -9.642 -15.446 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 4.509 -10.040 -9.506 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 3.727 -10.226 -10.026 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 4.437 -9.111 -9.289 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -11.106 -19.174 -1.680 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -11.554 -18.328 -1.698 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -11.667 -19.754 -2.195 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -10.396 -17.012 0.446 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -10.182 -17.782 0.973 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -9.658 -16.923 -0.157 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -0.191 -8.855 1.313 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 0.429 -9.532 1.040 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -0.399 -9.073 2.221 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 1.462 -10.339 0.074 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 1.887 -11.046 -0.411 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 1.779 -9.538 -0.343 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 2.621 -12.438 -1.417 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 2.364 -13.128 -2.029 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 2.692 -12.881 -0.572 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.166 -18.452 -6.129 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -0.465 -18.430 -5.478 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -0.864 -19.080 -6.785 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 2.186 -16.700 -2.216 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 1.454 -16.472 -1.643 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 2.633 -17.414 -1.761 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 1.057 -17.538 -4.531 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 1.636 -17.388 -3.784 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 1.471 -17.067 -5.254 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -1.745 -7.845 -2.681 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -1.820 -7.966 -3.627 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -1.712 -6.895 -2.562 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -8.091 -9.056 -0.900 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -7.939 -9.404 -0.021 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -8.942 -9.412 -1.155 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 1.357 -8.691 -5.678 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 1.732 -9.435 -6.149 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 1.361 -8.961 -4.760 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 1.026 -8.765 -2.929 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 0.091 -8.665 -2.750 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 1.306 -9.474 -2.351 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 2.534 -16.505 -6.901 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 2.576 -16.728 -7.831 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 3.383 -16.107 -6.711 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -1.893 -22.629 -6.231 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -2.147 -22.610 -5.308 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -2.150 -23.501 -6.532 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -5.011 -22.184 -7.130 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -5.442 -22.629 -6.400 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -5.729 -21.812 -7.642 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -11.769 -22.442 -0.078 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -11.138 -22.471 0.642 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -11.319 -22.867 -0.808 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -10.494 -21.696 -4.654 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -10.020 -21.105 -5.239 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -11.212 -21.165 -4.307 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -3.548 -22.230 0.203 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -4.459 -22.173 0.492 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -3.043 -22.290 1.014 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -8.720 -20.601 -0.970 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -9.609 -20.501 -1.310 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -8.424 -21.443 -1.316 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -6.393 -19.406 -5.747 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -6.935 -19.786 -6.438 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -5.559 -19.212 -6.176 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 4.144 -7.323 9.744 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 4.344 -6.899 8.909 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 4.800 -6.980 10.351 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -7.226 -23.306 -1.492 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -7.543 -24.208 -1.527 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -6.445 -23.304 -2.044 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 0.840 -22.027 -5.612 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -0.098 -21.915 -5.763 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 1.137 -21.170 -5.306 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 1.558 -20.160 -3.951 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 2.450 -20.297 -3.632 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.615 -19.369 -4.488 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 6.443 -19.950 -4.257 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 5.889 -20.346 -4.929 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 6.544 -19.040 -4.534 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 4.739 -11.164 -3.792 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 4.366 -11.990 -3.482 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 5.016 -11.347 -4.689 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -3.616 -10.216 5.254 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -3.253 -9.361 5.021 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -3.084 -10.508 5.995 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 2.131 -13.188 -5.971 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 2.484 -13.568 -5.167 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 1.182 -13.281 -5.885 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 2.587 -9.565 7.424 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 1.985 -10.120 6.929 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.868 -8.898 6.798 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 2.997 -14.515 -3.745 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 2.720 -15.243 -3.189 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 3.924 -14.396 -3.539 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 0.228 -22.939 -3.182 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 0.448 -22.467 -3.985 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 0.786 -22.544 -2.511 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 -1.688 -24.130 -1.409 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 -2.035 -23.512 -0.764 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 -1.030 -23.629 -1.890 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -6.031 -23.067 -4.721 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -6.114 -22.178 -4.375 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -5.141 -23.332 -4.490 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -9.456 -19.975 -6.545 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -9.501 -19.036 -6.366 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -10.344 -20.211 -6.815 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 3.857 -9.311 3.391 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 3.701 -8.633 2.734 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 4.789 -9.239 3.594 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -9.718 -11.253 -1.711 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -10.550 -10.780 -1.684 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -9.172 -10.743 -2.310 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -1.740 -10.213 -7.386 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -2.384 -10.844 -7.064 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -0.978 -10.744 -7.618 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 2.864 -10.396 -7.152 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 3.147 -11.190 -6.699 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 3.604 -10.163 -7.713 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -3.961 -18.271 -6.726 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -4.141 -18.425 -7.654 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -3.010 -18.163 -6.682 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -4.063 -7.580 -5.725 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.130 -7.422 -5.581 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.327 -6.905 -6.350 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -10.976 -9.470 0.640 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -11.310 -10.351 0.812 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -10.754 -9.125 1.504 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 6.136 -9.094 6.542 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 5.649 -9.829 6.171 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 6.685 -9.487 7.220 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 5.888 -15.047 -3.306 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 6.738 -14.626 -3.178 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 5.893 -15.787 -2.698 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 6.282 -16.994 -1.482 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 5.556 -17.473 -1.084 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 6.863 -16.788 -0.750 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 6.041 -14.209 3.466 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 6.875 -14.587 3.185 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 6.153 -13.266 3.347 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 4.528 -11.331 5.773 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 3.880 -11.006 6.398 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 4.010 -11.771 5.098 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 6.550 -17.093 -5.091 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 6.029 -16.736 -5.810 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 6.517 -16.418 -4.413 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 3.779 -20.890 -2.457 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 4.059 -21.797 -2.332 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 4.538 -20.456 -2.846 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 4.393 -23.627 -2.408 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 4.575 -24.076 -1.583 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 3.793 -24.212 -2.872 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 3.311 -8.571 -0.808 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 3.964 -8.918 -1.416 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 3.822 -8.082 -0.162 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -2.039 -9.268 8.953 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -1.854 -9.602 9.831 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -1.192 -8.959 8.631 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 0.306 -7.983 8.197 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 0.983 -8.615 7.957 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 0.628 -7.581 9.005 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -8.948 -7.411 6.041 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -9.668 -6.971 5.590 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -9.314 -7.662 6.890 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -6.481 -7.811 5.071 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -7.346 -7.739 5.475 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -6.536 -7.264 4.287 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -1.770 -7.923 4.247 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -2.227 -7.394 3.593 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -1.607 -7.320 4.972 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 0.557 -9.045 5.192 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -0.347 -8.880 4.926 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 0.986 -8.192 5.126 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 3.162 -7.475 5.487 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 2.980 -6.559 5.276 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 3.338 -7.885 4.640 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -9.533 -8.788 2.952 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -9.552 -9.213 3.809 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -8.728 -9.106 2.543 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -7.392 -10.078 1.607 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -7.611 -10.994 1.776 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -6.568 -9.938 2.073 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -4.855 -9.608 2.455 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -4.642 -10.496 2.168 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -4.790 -9.642 3.410 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -1.346 -23.944 1.600 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -2.021 -24.573 1.855 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -0.782 -24.428 0.997 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 3.796 -25.837 1.712 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 4.400 -25.289 1.211 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 2.927 -25.517 1.472 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 5.523 -24.698 0.046 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 6.135 -25.212 -0.481 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 5.906 -23.820 0.069 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -9.020 -25.310 -0.578 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.797 -25.544 -1.086 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -8.489 -26.107 -0.570 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -4.440 -25.383 -0.765 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -3.566 -24.995 -0.795 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -4.576 -25.598 0.158 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 1.117 -25.353 0.884 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 1.193 -25.258 -0.065 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 0.841 -26.261 1.013 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 2.470 -25.327 -3.423 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 1.767 -24.713 -3.633 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 2.025 -26.165 -3.292 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -10.282 -9.564 -3.877 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -10.967 -9.602 -4.545 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -10.279 -8.651 -3.589 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -8.322 -23.596 -6.332 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -7.831 -24.226 -6.860 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -7.699 -23.300 -5.669 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -3.296 -23.303 -3.875 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -3.118 -23.949 -3.192 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -3.350 -22.469 -3.408 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -1.418 -8.354 -5.480 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -0.552 -7.988 -5.658 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -1.665 -8.794 -6.293 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 5.291 -8.791 -2.800 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 5.097 -9.539 -3.365 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 5.252 -8.033 -3.384 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 6.149 -17.532 23.982 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 5.497 -16.837 24.071 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 6.614 -17.322 23.172 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 -4.922 -12.902 26.873 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 -5.234 -12.120 27.329 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 -5.572 -13.055 26.187 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -6.683 -10.830 27.637 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -6.675 -10.966 26.689 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -7.599 -10.948 27.889 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 6.862 -11.191 27.493 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 6.813 -12.146 27.456 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 6.036 -10.923 27.895 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -8.837 -13.314 25.970 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -8.620 -13.675 26.830 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -9.692 -13.688 25.760 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -8.258 -14.849 28.208 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -7.525 -14.595 28.769 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -9.038 -14.645 28.723 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -3.908 -17.568 28.342 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -4.204 -17.734 27.447 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -2.977 -17.788 28.332 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -3.616 -10.216 24.110 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -3.253 -9.361 23.877 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -3.084 -10.508 24.851 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 6.635 -8.708 13.086 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 7.378 -8.122 12.946 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 5.940 -8.140 13.419 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -9.640 -10.527 24.122 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -9.423 -11.459 24.091 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -9.393 -10.253 25.006 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.832 -9.721 30.095 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -5.064 -10.180 30.436 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.853 -9.947 29.165 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -10.522 -14.830 29.429 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -10.378 -15.732 29.143 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -11.295 -14.544 28.941 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -3.867 -14.860 28.862 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -4.195 -14.589 28.004 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -3.715 -15.801 28.774 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -11.846 -7.551 17.691 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -12.493 -8.013 17.158 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -11.491 -8.223 18.274 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -10.976 -9.470 19.496 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -11.310 -10.351 19.668 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -10.754 -9.125 20.360 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 6.136 -9.094 25.398 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 5.649 -9.829 25.027 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 6.685 -9.487 26.076 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 4.587 -13.304 30.036 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 3.721 -13.409 30.430 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 4.963 -12.545 30.483 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 6.422 -18.600 28.260 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 5.559 -18.979 28.095 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 7.026 -19.339 28.186 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -9.304 -11.642 28.591 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -10.125 -11.467 28.131 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -9.556 -11.715 29.512 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -6.350 -10.667 24.850 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -6.775 -9.858 24.567 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -5.445 -10.582 24.548 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -6.481 -7.811 23.927 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -7.346 -7.739 24.331 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -6.536 -7.264 23.143 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -9.533 -8.788 21.808 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.552 -9.213 22.665 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -8.728 -9.106 21.399 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -7.392 -10.078 20.463 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -7.611 -10.994 20.632 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -6.568 -9.938 20.929 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -1.418 -8.354 13.376 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -0.552 -7.988 13.198 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -1.665 -8.794 12.563 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 0.059 -16.154 37.092 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 0.148 -15.210 36.960 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -0.580 -16.429 36.434 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -11.106 -19.174 36.032 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -11.554 -18.328 36.014 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -11.667 -19.754 35.517 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -10.396 -17.012 38.158 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -10.182 -17.782 38.685 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -9.658 -16.923 37.555 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 0.522 -20.072 41.245 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 0.665 -21.019 41.265 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 0.416 -19.865 40.316 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -6.323 -21.971 38.517 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -6.280 -21.111 38.099 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -6.781 -22.523 37.884 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 1.399 -21.840 36.918 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 2.045 -22.169 37.543 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 1.909 -21.322 36.295 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -9.703 -19.574 39.279 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -9.049 -20.124 39.711 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -9.679 -19.848 38.363 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -4.547 -18.024 38.495 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -3.931 -18.550 39.004 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -5.133 -18.664 38.091 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -0.144 -13.553 36.135 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -0.440 -13.875 35.284 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -0.468 -12.653 36.177 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 3.163 -22.549 38.899 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 2.948 -23.315 39.431 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 3.819 -22.077 39.412 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -7.919 -21.161 40.544 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -7.306 -20.528 40.917 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -7.407 -21.633 39.887 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -10.415 -13.742 34.448 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -10.687 -13.513 33.559 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -10.370 -12.904 34.908 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -3.487 -25.747 40.044 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -3.604 -26.696 39.990 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -4.342 -25.415 40.317 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 2.186 -16.700 35.496 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 1.454 -16.472 36.069 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 2.633 -17.414 35.951 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -6.169 -16.070 37.379 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -6.499 -16.440 36.560 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -5.581 -16.740 37.725 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 1.057 -17.538 33.181 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 1.636 -17.388 33.928 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 1.471 -17.067 32.458 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.179 -17.000 34.968 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -7.471 -16.232 34.477 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.853 -17.660 34.805 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 5.945 -11.422 31.371 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 6.018 -10.483 31.541 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 6.850 -11.727 31.314 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 1.357 -8.691 32.034 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 1.732 -9.435 31.563 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 1.361 -8.961 32.952 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -6.218 -24.844 40.822 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -7.079 -24.931 40.414 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -6.240 -23.988 41.249 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 2.534 -16.505 30.811 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 2.576 -16.728 29.881 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 3.383 -16.107 31.001 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -6.130 -19.657 36.829 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.023 -19.998 36.770 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -5.679 -20.034 36.073 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 0.410 -19.795 38.460 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 0.215 -19.190 37.745 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 0.592 -20.629 38.025 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -11.769 -22.442 37.634 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -11.138 -22.471 38.354 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -11.319 -22.867 36.904 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -8.720 -20.601 36.742 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -9.609 -20.501 36.402 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -8.424 -21.443 36.396 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.857 -22.995 41.179 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 0.180 -22.864 41.843 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 0.371 -23.150 40.369 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -2.228 -19.442 39.802 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -1.664 -19.989 39.255 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -2.376 -19.964 40.591 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -3.602 -21.054 42.216 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -4.437 -20.600 42.326 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -3.078 -20.778 42.968 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -3.058 -14.841 33.901 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -3.802 -15.348 33.578 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -3.192 -14.792 34.847 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -0.932 -13.382 32.926 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -1.227 -12.556 33.308 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -1.635 -14.002 33.122 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 6.443 -19.950 33.455 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 5.889 -20.346 32.783 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 6.544 -19.040 33.178 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -4.131 -14.365 36.651 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -4.372 -13.440 36.693 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -4.871 -14.824 37.047 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 2.131 -13.188 31.741 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 2.484 -13.568 32.545 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 1.182 -13.281 31.827 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 6.635 -8.708 31.942 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 7.378 -8.122 31.802 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 5.940 -8.140 32.275 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 2.997 -14.515 33.967 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 2.720 -15.243 34.523 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 3.924 -14.396 34.173 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -3.778 -12.076 30.188 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -3.539 -12.824 29.640 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -4.047 -12.464 31.020 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -4.841 -12.506 32.644 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -4.694 -13.026 33.434 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -4.844 -11.599 32.950 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -8.388 -15.253 33.154 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -9.074 -14.901 33.721 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -7.865 -14.490 32.908 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -2.103 -10.808 33.393 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -2.920 -10.311 33.446 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -1.574 -10.333 32.753 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -7.772 -12.639 32.051 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -7.180 -11.940 32.327 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -7.313 -13.072 31.332 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -8.648 -25.193 39.840 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -8.877 -25.134 38.913 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -9.091 -25.985 40.147 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -1.740 -10.213 30.326 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -2.384 -10.844 30.648 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -0.978 -10.744 30.094 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 2.864 -10.396 30.560 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 3.147 -11.190 31.013 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 3.604 -10.163 29.999 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -6.181 -14.486 30.417 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -6.117 -15.280 30.948 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -5.528 -14.605 29.728 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -5.032 -16.514 32.723 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -5.491 -16.998 33.409 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -4.777 -17.182 32.087 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 5.429 -15.916 30.431 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 5.156 -16.341 29.618 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 5.469 -14.985 30.214 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -4.063 -7.580 31.987 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -3.130 -7.422 32.131 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -4.327 -6.905 31.362 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -10.495 -12.944 31.470 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -9.581 -12.865 31.743 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -10.488 -13.631 30.803 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 6.550 -17.093 32.621 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 6.029 -16.736 31.902 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 6.517 -16.418 33.299 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 4.069 -18.473 36.793 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 3.919 -19.418 36.773 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 3.715 -18.192 37.637 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 3.779 -20.890 35.255 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 4.059 -21.797 35.380 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 4.538 -20.456 34.866 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 4.393 -23.627 35.304 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 4.575 -24.076 36.129 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 3.793 -24.212 34.840 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -10.077 -22.812 39.835 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -9.632 -23.604 40.137 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -9.611 -22.096 40.266 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -1.346 -23.944 39.312 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -2.021 -24.573 39.567 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.782 -24.428 38.709 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 3.796 -25.837 39.424 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 4.400 -25.289 38.923 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 2.927 -25.517 39.184 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 5.523 -24.698 37.758 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 6.135 -25.212 37.231 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 5.906 -23.820 37.781 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 1.117 -25.353 38.596 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.193 -25.258 37.647 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 0.841 -26.261 38.725 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -1.418 -8.354 32.232 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -0.552 -7.988 32.054 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -1.665 -8.794 31.419 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -7.513 -4.197 -13.977 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -7.732 -3.667 -14.743 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -8.181 -3.970 -13.329 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -7.919 -2.305 -16.024 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -7.306 -1.672 -15.651 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -7.407 -2.777 -16.681 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -3.487 -6.891 -16.524 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -3.604 -7.840 -16.578 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -4.342 -6.559 -16.251 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -8.002 2.152 -11.610 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -7.932 2.803 -10.912 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -8.893 2.255 -11.945 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -6.218 -5.988 -15.746 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -7.079 -6.075 -16.154 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -6.240 -5.132 -15.319 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -1.555 -6.266 -12.372 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -1.135 -6.681 -11.619 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -2.488 -6.444 -12.255 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -6.127 -1.022 -14.651 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -6.769 -1.063 -13.942 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -6.090 -0.096 -14.889 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -8.377 -0.702 -12.784 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -8.415 -0.302 -11.916 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -8.868 -1.519 -12.694 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -11.769 -3.586 -18.934 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -11.138 -3.615 -18.214 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -11.319 -4.011 -19.664 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -8.258 4.007 -9.504 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -7.525 4.261 -8.943 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -9.038 4.211 -8.989 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -10.925 1.771 -11.583 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -10.702 1.353 -10.751 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -11.527 1.158 -12.005 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -3.908 1.288 -9.370 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -4.204 1.122 -10.265 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -2.977 1.068 -9.380 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -0.556 -3.735 -13.135 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 0.142 -3.661 -12.485 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -0.937 -4.599 -12.980 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -8.648 -6.337 -16.728 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -8.877 -6.278 -17.655 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -9.091 -7.129 -16.421 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -10.522 4.026 -8.283 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -10.378 3.124 -8.569 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -11.295 4.312 -8.771 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -9.690 1.226 -8.863 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -9.282 0.369 -8.984 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -9.950 1.241 -7.942 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -5.743 0.235 -11.489 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -6.361 0.910 -11.208 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -5.399 0.556 -12.322 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -5.403 -2.410 -10.406 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -5.253 -3.139 -11.009 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -5.401 -1.633 -10.965 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -4.991 -4.040 -12.914 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -4.455 -3.589 -13.566 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -5.843 -4.148 -13.336 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -6.925 -1.212 -8.495 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -7.692 -1.744 -8.705 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -6.246 -1.522 -9.094 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -4.185 -6.584 -12.482 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -4.283 -5.637 -12.588 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -4.928 -6.956 -12.958 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -2.921 -2.262 -8.919 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -3.157 -2.482 -8.017 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -3.704 -2.469 -9.428 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -3.610 -5.607 -7.757 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -3.741 -6.083 -8.578 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -4.209 -4.863 -7.813 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -10.077 -3.956 -16.733 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -9.632 -4.748 -16.431 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -9.611 -3.240 -16.302 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -11.773 -0.957 -15.664 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -11.281 -1.178 -16.454 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -11.411 -0.116 -15.383 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -1.346 -5.088 -17.256 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -2.021 -5.717 -17.001 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -0.782 -5.572 -17.859 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -9.020 -6.454 -19.434 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -9.797 -6.688 -19.942 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -8.489 -7.251 -19.426 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 1.117 -6.497 -17.972 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 1.193 -6.402 -18.921 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 0.841 -7.405 -17.843 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 1.333 -7.257 -8.199 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 1.409 -7.683 -7.345 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 2.226 -7.243 -8.541 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -8.640 1.572 4.392 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -8.598 0.946 5.116 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -7.937 2.195 4.574 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -10.396 1.844 0.446 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -10.182 1.074 0.973 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -9.658 1.933 -0.157 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -6.323 -3.115 0.805 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -6.280 -2.255 0.387 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -6.781 -3.667 0.172 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -9.703 -0.718 1.567 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -9.049 -1.268 1.999 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -9.679 -0.992 0.651 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -4.547 0.832 0.783 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -3.931 0.306 1.292 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -5.133 0.192 0.379 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -7.513 -4.197 4.879 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -7.732 -3.667 4.113 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -8.181 -3.970 5.527 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -7.919 -2.305 2.832 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -7.306 -1.672 3.205 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -7.407 -2.777 2.175 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -10.415 5.114 -3.264 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -10.687 5.343 -4.153 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -10.370 5.952 -2.804 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -3.487 -6.891 2.332 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -3.604 -7.840 2.278 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -4.342 -6.559 2.605 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -6.169 2.786 -0.333 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -6.499 2.416 -1.152 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -5.581 2.116 0.013 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -5.802 1.555 3.300 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -5.237 1.676 2.537 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -5.483 2.192 3.939 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -6.218 -5.988 3.110 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -7.079 -6.075 2.702 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -6.240 -5.132 3.537 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -1.555 -6.266 6.484 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -1.135 -6.681 7.237 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -2.488 -6.444 6.601 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -1.893 -3.773 -6.231 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -2.147 -3.754 -5.308 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -2.150 -4.645 -6.532 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -6.127 -1.022 4.205 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.769 -1.063 4.914 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -6.090 -0.096 3.967 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -5.011 -3.328 -7.130 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -5.442 -3.773 -6.400 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -5.729 -2.956 -7.642 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -3.548 -3.374 0.203 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -4.459 -3.317 0.492 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -3.043 -3.434 1.014 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -6.393 -0.550 -5.747 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -6.935 -0.930 -6.438 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -5.559 -0.356 -6.176 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -7.933 3.310 1.958 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -7.188 3.308 1.357 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -7.855 2.486 2.440 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -8.388 3.603 -4.558 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -9.074 3.955 -3.991 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -7.865 4.366 -4.804 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -2.572 -2.355 -2.347 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -1.760 -1.851 -2.301 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -2.817 -2.500 -1.433 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -1.688 -5.274 -1.409 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -2.035 -4.656 -0.764 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -1.030 -4.773 -1.890 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -7.772 6.217 -5.661 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -7.180 6.916 -5.385 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -7.313 5.784 -6.380 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -8.648 -6.337 2.128 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -8.877 -6.278 1.201 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -9.091 -7.129 2.435 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -6.181 4.370 -7.295 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -6.117 3.576 -6.764 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -5.528 4.251 -7.984 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -5.032 2.342 -4.989 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -5.491 1.858 -4.303 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -4.777 1.674 -5.625 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -3.961 0.585 -6.726 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -4.141 0.431 -7.654 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -3.010 0.693 -6.682 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -4.185 -6.584 6.374 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -4.283 -5.637 6.268 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -4.928 -6.956 5.898 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 1.429 -4.501 11.018 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 1.332 -5.453 11.012 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 1.107 -4.232 11.879 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -8.744 -3.291 10.066 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -8.533 -3.998 9.455 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -8.856 -3.729 10.910 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -3.963 -7.290 9.045 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -3.251 -7.930 9.031 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -4.064 -7.023 8.131 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -3.610 -5.607 11.099 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -3.741 -6.083 10.278 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -4.209 -4.863 11.043 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -10.495 5.912 -6.242 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -9.581 5.991 -5.969 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -10.488 5.225 -6.909 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -10.896 2.461 3.091 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -10.712 2.379 2.156 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -10.047 2.337 3.515 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 6.703 -6.736 11.109 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 7.053 -7.390 10.503 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 6.850 -5.899 10.669 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -10.077 -3.956 2.123 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -9.632 -4.748 2.425 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -9.611 -3.240 2.554 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -11.773 -0.957 3.192 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -11.281 -1.178 2.402 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -11.411 -0.116 3.473 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 6.223 -4.627 9.458 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 5.306 -4.356 9.422 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 6.346 -5.162 8.674 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -11.496 -5.961 5.591 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -12.161 -6.207 6.234 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -11.939 -5.339 5.014 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 5.224 -6.537 7.277 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 4.411 -6.212 6.889 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 5.457 -7.297 6.744 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -4.440 -6.527 -0.765 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -3.566 -6.139 -0.795 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -4.576 -6.742 0.158 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 1.117 -6.497 0.884 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 1.193 -6.402 -0.065 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 0.841 -7.405 1.013 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 2.470 -6.471 -3.423 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 1.767 -5.857 -3.633 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 2.025 -7.309 -3.292 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -3.296 -4.447 -3.875 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -3.118 -5.093 -3.192 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -3.350 -3.613 -3.408 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -9.062 -5.940 8.939 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -9.428 -6.705 9.382 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -8.149 -5.911 9.226 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -7.089 -6.589 10.475 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -6.190 -6.863 10.290 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -7.475 -7.332 10.939 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 1.333 -7.257 10.657 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 1.409 -7.683 11.511 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 2.226 -7.243 10.315 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 6.044 -4.009 22.922 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 6.093 -3.399 23.658 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 6.470 -3.548 22.199 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 0.522 -1.216 22.389 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 0.665 -2.163 22.409 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 0.416 -1.009 21.460 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -6.323 -3.115 19.661 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -6.280 -2.255 19.243 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -6.781 -3.667 19.028 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 1.399 -2.984 18.062 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 2.045 -3.313 18.687 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 1.909 -2.466 17.439 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 6.436 -2.531 25.158 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 5.747 -1.873 25.063 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 6.451 -2.728 26.095 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 3.163 -3.693 20.043 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 2.948 -4.459 20.575 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 3.819 -3.221 20.556 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 3.510 -4.978 23.722 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 2.774 -4.367 23.684 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 4.194 -4.563 23.196 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -3.487 -6.891 21.188 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -3.604 -7.840 21.134 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -4.342 -6.559 21.461 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 2.083 0.330 25.708 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 2.163 1.093 26.280 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 1.482 0.609 25.017 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 4.755 -6.932 14.138 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 3.856 -6.793 14.433 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 5.007 -6.101 13.736 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 4.014 -0.842 27.973 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 3.607 -0.361 27.253 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 4.055 -1.747 27.666 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -6.218 -5.988 21.966 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -7.079 -6.075 21.558 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -6.240 -5.132 22.393 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 1.771 -2.510 26.194 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 1.257 -2.636 26.991 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 1.616 -1.598 25.949 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -1.893 -3.773 12.625 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -2.147 -3.754 13.548 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -2.150 -4.645 12.324 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -6.130 -0.801 17.973 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -7.023 -1.142 17.914 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -5.679 -1.178 17.217 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -1.492 -0.210 28.278 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -2.055 -0.914 28.598 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -0.666 -0.330 28.745 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -5.011 -3.328 11.726 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -5.442 -3.773 12.456 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -5.729 -2.956 11.214 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -11.769 -3.586 18.778 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -11.138 -3.615 19.498 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -11.319 -4.011 18.048 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -10.494 -2.840 14.202 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -10.020 -2.249 13.617 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -11.212 -2.309 14.549 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -3.548 -3.374 19.059 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -4.459 -3.317 19.348 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -3.043 -3.434 19.870 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -8.720 -1.745 17.886 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -9.609 -1.645 17.546 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -8.424 -2.587 17.540 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 -5.067 -1.745 15.542 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 -4.135 -1.616 15.720 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -5.282 -1.075 14.893 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 0.857 -4.139 22.323 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 0.180 -4.008 22.987 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 0.371 -4.294 21.513 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.393 -0.550 13.109 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -6.935 -0.930 12.418 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -5.559 -0.356 12.680 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -7.226 -4.450 17.364 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -7.543 -5.352 17.329 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -6.445 -4.448 16.812 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -3.602 -2.198 23.360 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -4.437 -1.744 23.470 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -3.078 -1.922 24.112 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 0.840 -3.171 13.244 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -0.098 -3.059 13.093 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 1.137 -2.314 13.550 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 0.228 -4.083 15.674 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 0.448 -3.611 14.871 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 0.786 -3.688 16.345 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -2.572 -2.355 16.509 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -1.760 -1.851 16.555 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -2.817 -2.500 17.423 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -2.036 -1.369 25.694 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -1.917 -0.795 26.451 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -1.381 -2.057 25.809 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -1.688 -5.274 17.447 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -2.035 -4.656 18.092 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -1.030 -4.773 16.966 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -6.031 -4.211 14.135 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -6.114 -3.322 14.481 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -5.141 -4.476 14.366 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 4.168 -3.462 26.529 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 3.252 -3.199 26.441 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 4.504 -3.465 25.632 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -8.648 -6.337 20.984 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -8.877 -6.278 20.057 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -9.091 -7.129 21.291 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -5.403 -2.410 27.306 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -5.253 -3.139 26.703 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -5.401 -1.633 26.747 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -4.991 -4.040 24.798 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -4.455 -3.589 24.146 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -5.843 -4.148 24.376 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 1.007 -0.786 30.066 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 1.199 -1.717 29.955 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 1.864 -0.361 30.056 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -4.185 -6.584 25.230 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -4.283 -5.637 25.124 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -4.928 -6.956 24.754 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -2.921 -2.262 28.793 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -3.157 -2.482 29.695 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -3.704 -2.469 28.284 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -0.205 -3.135 27.869 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -1.153 -3.103 28.001 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 0.107 -3.760 28.523 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 1.429 -4.501 29.874 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 1.332 -5.453 29.868 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 1.107 -4.232 30.735 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -3.963 -7.290 27.901 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -3.251 -7.930 27.887 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -4.064 -7.023 26.987 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -3.610 -5.607 29.955 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -3.741 -6.083 29.134 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -4.209 -4.863 29.899 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 4.147 -3.589 11.433 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 4.757 -3.961 12.070 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 3.310 -4.011 11.629 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 4.391 -1.453 21.835 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 5.324 -1.241 21.801 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 4.156 -1.351 22.758 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 4.420 -0.716 24.611 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 3.577 -0.448 24.977 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 4.863 0.106 24.400 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 6.703 -6.736 29.965 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 7.053 -7.390 29.359 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 6.850 -5.899 29.525 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 4.393 -4.771 16.448 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 4.575 -5.220 17.273 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 3.793 -5.356 15.984 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -10.077 -3.956 20.979 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -9.632 -4.748 21.281 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -9.611 -3.240 21.410 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 6.223 -4.627 28.314 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 5.306 -4.356 28.278 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 6.346 -5.162 27.530 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 6.259 -4.704 12.976 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 6.672 -5.425 12.500 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 6.941 -4.034 13.034 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -11.460 -4.699 16.103 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -12.385 -4.490 15.973 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -11.006 -4.215 15.413 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 -1.346 -5.088 20.456 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 -2.021 -5.717 20.711 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 -0.782 -5.572 19.853 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 -9.020 -6.454 18.278 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 -9.797 -6.688 17.770 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 -8.489 -7.251 18.286 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -4.440 -6.527 18.091 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -3.566 -6.139 18.061 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -4.576 -6.742 19.014 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 -8.322 -4.740 12.524 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 -7.831 -5.370 11.996 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 -7.699 -4.444 13.187 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -3.296 -4.447 14.981 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -3.118 -5.093 15.664 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -3.350 -3.613 15.448 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 4.755 -6.932 32.994 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 3.856 -6.793 33.289 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 5.007 -6.101 32.592 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 -1.893 -3.773 31.481 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 -2.147 -3.754 32.404 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 -2.150 -4.645 31.180 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 0.840 -3.171 32.100 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -0.098 -3.059 31.949 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 1.137 -2.314 32.406 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 4.147 -3.589 30.289 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 4.757 -3.961 30.926 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 3.310 -4.011 30.485 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 12.320 -32.269 5.954 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 12.314 -31.390 5.576 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 11.466 -32.352 6.379 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 13.934 -31.758 8.017 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 13.622 -30.976 8.473 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 13.284 -31.911 7.331 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 12.173 -29.686 8.781 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 12.181 -29.822 7.833 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.257 -29.804 9.033 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 7.770 -33.493 6.071 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 7.269 -33.521 5.256 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 7.776 -34.399 6.381 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.521 -30.713 2.955 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 8.467 -30.857 2.936 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 7.408 -29.929 3.492 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 10.019 -32.170 7.114 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 10.236 -32.531 7.974 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 9.164 -32.544 6.904 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 15.240 -29.072 5.254 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 15.603 -28.217 5.021 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 15.772 -29.364 5.995 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 9.216 -29.383 5.266 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 9.433 -30.315 5.235 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.463 -29.109 6.150 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 13.024 -28.577 11.239 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 13.792 -29.036 11.580 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 13.003 -28.803 10.309 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.334 -33.686 10.573 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 8.478 -34.588 10.287 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 7.561 -33.400 10.085 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 9.552 -30.498 9.735 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 8.731 -30.323 9.275 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 9.300 -30.571 10.656 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 12.506 -29.523 5.994 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 12.081 -28.714 5.711 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 13.411 -29.438 5.692 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 12.375 -26.667 5.071 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 11.510 -26.595 5.475 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 12.320 -26.120 4.287 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 9.323 -27.644 2.952 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 9.304 -28.069 3.809 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 10.128 -27.962 2.543 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 11.464 -28.934 1.607 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 11.245 -29.850 1.776 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 12.288 -28.794 2.073 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.140 -31.690 21.783 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 10.770 -32.492 21.414 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.081 -31.859 21.830 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.460 -35.868 19.302 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.674 -36.638 19.829 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 9.198 -35.779 18.699 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 12.320 -32.269 24.810 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.314 -31.390 24.432 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 11.466 -32.352 25.235 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.441 -32.598 15.592 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.169 -32.369 14.703 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.486 -31.760 16.052 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 14.054 -31.498 21.204 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 13.959 -32.076 20.447 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 14.783 -31.869 21.700 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 13.934 -31.758 26.873 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 13.622 -30.976 27.329 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 13.284 -31.911 26.187 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 10.854 -35.560 26.102 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.924 -34.909 26.800 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 9.963 -35.457 25.767 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 12.173 -29.686 27.637 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 12.181 -29.822 26.689 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 11.257 -29.804 27.889 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 7.770 -33.493 24.927 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 7.269 -33.521 24.112 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 7.776 -34.399 25.237 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 10.765 -27.912 17.956 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 10.917 -28.260 18.835 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 9.914 -28.268 17.701 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 10.019 -32.170 25.970 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 10.236 -32.531 26.830 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 9.164 -32.544 25.760 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 10.598 -33.705 28.208 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.331 -33.451 28.769 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 9.818 -33.501 28.723 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.923 -34.402 20.814 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 11.668 -34.404 20.213 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 11.001 -35.226 21.296 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 7.931 -35.941 26.129 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 8.154 -36.359 26.961 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 7.329 -36.554 25.707 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.298 -30.884 18.219 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 13.825 -30.111 18.018 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 12.418 -30.659 17.917 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 15.240 -29.072 24.110 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 15.603 -28.217 23.877 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 15.772 -29.364 24.851 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 13.409 -28.199 17.340 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 12.459 -28.094 17.392 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 13.760 -27.379 17.685 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 10.468 -34.109 14.298 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 9.782 -33.757 14.865 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 10.991 -33.346 14.052 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 14.091 -28.621 14.519 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 14.252 -27.821 14.018 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 13.894 -28.314 15.404 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 11.084 -31.495 13.195 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.676 -30.796 13.471 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 11.543 -31.928 12.476 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.138 -30.109 17.145 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 8.306 -29.636 17.172 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.684 -29.599 16.546 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 13.024 -28.577 30.095 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 13.792 -29.036 30.436 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 13.003 -28.803 29.165 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 8.334 -33.686 29.429 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 8.478 -34.588 29.143 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 7.561 -33.400 28.941 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 14.793 -26.436 13.131 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 15.726 -26.278 13.275 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 14.529 -25.761 12.506 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.361 -31.800 12.614 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.275 -31.721 12.887 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 8.368 -32.487 11.947 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 7.960 -35.251 21.947 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 8.144 -35.333 21.012 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 8.809 -35.375 22.371 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 9.552 -30.498 28.591 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.731 -30.323 28.131 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 9.300 -30.571 29.512 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 12.506 -29.523 24.850 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 12.081 -28.714 24.567 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 13.411 -29.438 24.548 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 12.375 -26.667 23.927 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 11.510 -26.595 24.331 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.320 -26.120 23.143 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 11.464 -28.934 20.463 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 11.245 -29.850 20.632 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 12.288 -28.794 20.929 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 14.001 -28.464 21.311 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 14.214 -29.352 21.024 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 14.066 -28.498 22.266 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 8.441 -32.598 34.448 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 8.169 -32.369 33.559 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 8.486 -31.760 34.908 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 10.765 -27.912 36.812 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 10.917 -28.260 37.691 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 9.914 -28.268 36.557 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 13.409 -28.199 36.196 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 12.459 -28.094 36.248 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 13.760 -27.379 36.541 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 14.015 -31.362 32.644 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 14.162 -31.882 33.434 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 14.012 -30.455 32.950 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 10.468 -34.109 33.154 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 9.782 -33.757 33.721 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 10.991 -33.346 32.908 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 14.091 -28.621 33.375 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 14.252 -27.821 32.874 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 13.894 -28.314 34.260 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 11.084 -31.495 32.051 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.676 -30.796 32.327 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 11.543 -31.928 31.332 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 9.138 -30.109 36.001 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 8.306 -29.636 36.028 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 9.684 -29.599 35.402 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 12.675 -33.342 30.417 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 12.739 -34.136 30.948 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 13.328 -33.461 29.728 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 14.793 -26.436 31.987 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 15.726 -26.278 32.131 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.529 -25.761 31.362 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.361 -31.800 31.470 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 9.275 -31.721 31.743 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.368 -32.487 30.803 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 7.010 -26.407 36.547 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 6.363 -26.869 36.014 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 7.365 -27.079 37.130 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 7.880 -28.326 38.352 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 7.546 -29.207 38.524 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 8.102 -27.981 39.216 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 11.140 -12.834 2.927 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 10.770 -13.636 2.558 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.081 -13.003 2.974 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 7.750 -19.174 -1.680 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 7.302 -18.328 -1.698 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 7.189 -19.754 -2.195 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 8.460 -17.012 0.446 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 8.674 -17.782 0.973 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.198 -16.923 -0.157 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 12.533 -21.971 0.805 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 12.576 -21.111 0.387 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 12.075 -22.523 0.172 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 14.309 -18.024 0.783 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 14.925 -18.550 1.292 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 13.723 -18.664 0.379 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 13.912 -15.377 5.167 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 13.172 -14.779 5.270 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 14.626 -14.823 4.851 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 10.937 -21.161 2.832 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 11.550 -20.528 3.205 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 11.449 -21.633 2.175 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 12.320 -13.413 5.954 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 12.314 -12.534 5.576 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 11.466 -13.496 6.379 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.687 -16.070 -0.333 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 12.357 -16.440 -1.152 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 13.275 -16.740 0.013 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 13.054 -17.301 3.300 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 13.619 -17.180 2.537 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 13.373 -16.664 3.939 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 10.854 -16.704 7.246 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.924 -16.053 7.944 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.963 -16.601 6.911 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 12.173 -10.830 8.781 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 12.181 -10.966 7.833 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 11.257 -10.948 9.033 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 7.770 -14.637 6.071 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 7.269 -14.665 5.256 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 7.776 -15.543 6.381 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 7.521 -11.857 2.955 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 8.467 -12.001 2.936 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 7.408 -11.073 3.492 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 10.019 -13.314 7.114 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 10.236 -13.675 7.974 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 9.164 -13.688 6.904 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 12.638 -24.844 3.110 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 11.777 -24.931 2.702 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 12.616 -23.988 3.537 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 12.729 -19.878 4.205 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 12.087 -19.919 4.914 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 12.766 -18.952 3.967 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 12.726 -19.657 -0.883 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 11.833 -19.998 -0.942 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 13.177 -20.034 -1.639 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.087 -22.442 -0.078 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 7.718 -22.471 0.642 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 7.537 -22.867 -0.808 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 10.136 -20.601 -0.970 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.247 -20.501 -1.310 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.432 -21.443 -1.316 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 10.598 -14.849 9.352 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 11.331 -14.595 9.913 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.818 -14.645 9.867 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 15.254 -21.054 4.504 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 14.419 -20.600 4.614 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 15.778 -20.778 5.256 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 10.923 -15.546 1.958 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 11.668 -15.548 1.357 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 11.001 -16.370 2.440 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 14.948 -17.568 9.486 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 14.652 -17.734 8.591 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 15.879 -17.788 9.476 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 9.216 -10.527 5.266 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 9.433 -11.459 5.235 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 9.463 -10.253 6.150 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.208 -25.193 2.128 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.979 -25.134 1.201 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.765 -25.985 2.435 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 8.427 -8.640 9.619 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 8.967 -8.857 10.378 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 7.946 -9.446 9.429 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 8.334 -14.830 10.573 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 8.478 -15.732 10.287 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 7.561 -14.544 10.085 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 9.166 -17.630 9.993 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.574 -18.487 9.872 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.906 -17.615 10.914 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 13.113 -18.621 7.367 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.495 -17.946 7.648 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 13.457 -18.300 6.534 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 13.453 -21.266 8.450 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.603 -21.995 7.847 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 13.455 -20.489 7.891 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 13.865 -22.896 5.942 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 14.401 -22.445 5.290 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 13.013 -23.004 5.520 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 15.447 -17.457 6.182 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 16.198 -17.613 5.609 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 15.108 -16.605 5.906 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 11.931 -20.068 10.361 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 11.164 -20.600 10.151 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 12.610 -20.378 9.762 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 14.671 -25.440 6.374 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 14.573 -24.493 6.268 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 13.928 -25.812 5.898 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 15.935 -21.118 9.937 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 15.699 -21.338 10.839 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 15.152 -21.325 9.428 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 14.893 -26.146 9.045 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 15.605 -26.786 9.031 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 14.792 -25.879 8.131 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 15.246 -24.463 11.099 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 15.115 -24.939 10.278 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 14.647 -23.719 11.043 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 8.779 -22.812 2.123 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 9.224 -23.604 2.425 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 9.245 -22.096 2.554 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 7.396 -23.555 -2.753 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 6.471 -23.346 -2.883 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 7.850 -23.071 -3.443 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 9.552 -11.642 9.735 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.731 -11.467 9.275 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 9.300 -11.715 10.656 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 10.216 -17.284 23.248 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 10.258 -17.910 23.972 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 10.919 -16.661 23.430 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 11.140 -12.834 21.783 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.770 -13.636 21.414 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 12.081 -13.003 21.830 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.460 -17.012 19.302 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.674 -17.782 19.829 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 9.198 -16.923 18.699 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 12.533 -21.971 19.661 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 12.576 -21.111 19.243 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 12.075 -22.523 19.028 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.153 -19.574 20.423 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 9.807 -20.124 20.855 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.177 -19.848 19.507 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 11.343 -23.053 23.735 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 11.124 -22.523 22.969 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 10.675 -22.826 24.383 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 10.937 -21.161 21.688 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 11.550 -20.528 22.061 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 11.449 -21.633 21.031 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 12.320 -13.413 24.810 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 12.314 -12.534 24.432 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 11.466 -13.496 25.235 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 8.441 -13.742 15.592 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 8.169 -13.513 14.703 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 8.486 -12.904 16.052 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 12.687 -16.070 18.523 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 12.357 -16.440 17.704 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 13.275 -16.740 18.869 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 14.054 -12.642 21.204 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 13.959 -13.220 20.447 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 14.783 -13.013 21.700 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 10.854 -16.704 26.102 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 10.924 -16.053 26.800 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 9.963 -16.601 25.767 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 11.677 -17.000 16.112 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 11.385 -16.232 15.621 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 11.003 -17.660 15.949 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 7.770 -14.637 24.927 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 7.269 -14.665 24.112 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 7.776 -15.543 25.237 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 10.765 -9.056 17.956 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 10.917 -9.404 18.835 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 9.914 -9.412 17.701 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.019 -13.314 25.970 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 10.236 -13.675 26.830 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 9.164 -13.688 25.760 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 12.638 -24.844 21.966 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 11.777 -24.931 21.558 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 12.616 -23.988 22.393 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 12.726 -19.657 17.973 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 11.833 -19.998 17.914 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 13.177 -20.034 17.217 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 10.479 -19.558 24.928 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 10.441 -19.158 25.796 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 9.988 -20.375 25.018 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 13.845 -22.184 11.726 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 13.414 -22.629 12.456 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 13.127 -21.812 11.214 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.136 -20.601 17.886 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 9.247 -20.501 17.546 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 10.432 -21.443 17.540 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 13.789 -20.601 15.542 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 14.721 -20.472 15.720 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 13.574 -19.931 14.893 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 12.463 -19.406 13.109 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 11.921 -19.786 12.418 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 13.297 -19.212 12.680 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 10.598 -14.849 28.208 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 11.331 -14.595 28.769 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 9.818 -14.645 28.723 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 11.630 -23.306 17.364 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 11.313 -24.208 17.329 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 12.411 -23.304 16.812 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 10.923 -15.546 20.814 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 11.668 -15.548 20.213 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 11.001 -16.370 21.296 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 7.931 -17.085 26.129 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 8.154 -17.503 26.961 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 7.329 -17.698 25.707 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 13.298 -12.028 18.219 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 13.825 -11.255 18.018 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 12.418 -11.803 17.917 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 13.409 -9.343 17.340 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 12.459 -9.238 17.392 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 13.760 -8.523 17.685 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 9.565 -22.332 25.687 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 8.672 -21.993 25.620 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 9.466 -23.187 26.105 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 9.216 -10.527 24.122 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 9.433 -11.459 24.091 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.463 -10.253 25.006 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 10.468 -15.253 14.298 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 9.782 -14.901 14.865 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 10.991 -14.490 14.052 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 12.825 -23.067 14.135 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 12.742 -22.178 14.481 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 13.715 -23.332 14.366 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 11.084 -12.639 13.195 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 11.676 -11.940 13.471 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 11.543 -13.072 12.476 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 9.400 -19.975 12.311 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 9.355 -19.036 12.490 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 8.512 -20.211 12.041 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.427 -8.640 28.475 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.967 -8.857 29.234 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.946 -9.446 28.285 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 8.334 -14.830 29.429 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 8.478 -15.732 29.143 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 7.561 -14.544 28.941 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 12.675 -14.486 11.561 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 12.739 -15.280 12.092 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 13.328 -14.605 10.872 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 9.166 -17.630 28.849 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 9.574 -18.487 28.728 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 8.906 -17.615 29.770 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 13.824 -16.514 13.867 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.365 -16.998 14.553 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 14.079 -17.182 13.231 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 13.453 -21.266 27.306 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 13.603 -21.995 26.703 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 13.455 -20.489 26.747 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 13.865 -22.896 24.798 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 14.401 -22.445 24.146 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 13.013 -23.004 24.376 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.931 -20.068 29.217 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 11.164 -20.600 29.007 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 12.610 -20.378 28.618 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 14.671 -25.440 25.230 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 14.573 -24.493 25.124 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 13.928 -25.812 24.754 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 10.112 -22.147 28.922 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 10.323 -22.854 28.311 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 10.000 -22.585 29.766 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 14.893 -26.146 27.901 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 15.605 -26.786 27.887 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 14.792 -25.879 26.987 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 7.960 -16.395 21.947 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 8.144 -16.477 21.012 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 8.809 -16.519 22.371 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.558 -21.124 28.088 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 8.477 -21.246 28.324 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 7.108 -21.874 28.477 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 8.779 -22.812 20.979 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 9.224 -23.604 21.281 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 9.245 -22.096 21.410 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 9.552 -11.642 28.591 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 8.731 -11.467 28.131 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 9.300 -11.715 29.512 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 12.506 -10.667 24.850 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 12.081 -9.858 24.567 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 13.411 -10.582 24.548 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.908 -7.411 24.897 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.188 -6.971 24.446 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 9.542 -7.662 25.746 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 12.375 -7.811 23.927 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 11.510 -7.739 24.331 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 12.320 -7.264 23.143 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 11.464 -10.078 20.463 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 11.245 -10.994 20.632 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 12.288 -9.938 20.929 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 14.001 -9.608 21.311 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 14.214 -10.496 21.024 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 14.066 -9.642 22.266 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 9.836 -25.310 18.278 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 9.059 -25.544 17.770 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 10.367 -26.107 18.286 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 8.574 -9.564 14.979 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 7.889 -9.602 14.311 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 8.577 -8.651 15.267 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 10.534 -23.596 12.524 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 11.025 -24.226 11.996 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 11.157 -23.300 13.187 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 11.767 -25.445 29.331 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 12.666 -25.719 29.146 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 11.381 -26.188 29.795 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 10.392 -8.644 12.004 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 10.124 -8.357 12.877 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 11.163 -9.190 12.156 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 7.750 -19.174 36.032 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 7.302 -18.328 36.014 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 7.189 -19.754 35.517 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 13.845 -22.184 30.582 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 13.414 -22.629 31.312 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 13.127 -21.812 30.070 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 7.087 -22.442 37.634 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 7.718 -22.471 38.354 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 7.537 -22.867 36.904 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 8.362 -21.696 33.058 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 8.836 -21.105 32.473 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 7.644 -21.165 33.405 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 10.136 -20.601 36.742 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 9.247 -20.501 36.402 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 10.432 -21.443 36.396 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 11.630 -23.306 36.220 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 11.313 -24.208 36.185 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 12.411 -23.304 35.668 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 12.825 -23.067 32.991 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 12.742 -22.178 33.337 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 13.715 -23.332 33.222 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 9.400 -19.975 31.167 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 9.355 -19.036 31.346 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 8.512 -20.211 30.897 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 10.208 -25.193 39.840 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 9.979 -25.134 38.913 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 9.765 -25.985 40.147 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 8.361 -12.944 31.470 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 9.275 -12.865 31.743 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 8.368 -13.631 30.803 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 9.836 -25.310 37.134 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 9.059 -25.544 36.626 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 10.367 -26.107 37.142 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 10.534 -23.596 31.380 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 11.025 -24.226 30.852 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 11.157 -23.300 32.043 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 12.533 -3.115 19.661 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 12.576 -2.255 19.243 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 12.075 -3.667 19.028 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 11.343 -4.197 23.735 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 11.124 -3.667 22.969 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 10.675 -3.970 24.383 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 10.937 -2.305 21.688 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 11.550 -1.672 22.061 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 11.449 -2.777 21.031 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 12.638 -5.988 21.966 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 11.777 -6.075 21.558 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 12.616 -5.132 22.393 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 7.087 -3.586 18.778 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 7.718 -3.615 19.498 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 7.537 -4.011 18.048 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 10.136 -1.745 17.886 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 9.247 -1.645 17.546 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 10.432 -2.587 17.540 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 11.630 -4.450 17.364 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 11.313 -5.352 17.329 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 12.411 -4.448 16.812 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 9.565 -3.476 25.687 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 8.672 -3.137 25.620 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 9.466 -4.331 26.105 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 8.779 -3.956 20.979 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 9.224 -4.748 21.281 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 9.245 -3.240 21.410 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 7.396 -4.699 16.103 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 6.471 -4.490 15.973 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 7.850 -4.215 15.413 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 7.360 -5.961 24.447 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 6.695 -6.207 25.090 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 6.917 -5.339 23.870 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 8.673 -6.656 14.081 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 9.112 -6.045 13.490 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 8.039 -6.118 14.555 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 14.416 -6.527 18.091 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 15.290 -6.139 18.061 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 14.280 -6.742 19.014 0.00 0.00 WAT1 END