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 14:32:41 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -15.771 5.613 -10.758 1.00 22.22 ATOM 2 CB MET 1 -17.078 5.502 -9.061 1.00 71.33 ATOM 3 HB1 MET 1 -17.436 4.735 -8.384 1.00 36.81 ATOM 4 HB2 MET 1 -17.930 6.010 -9.493 1.00 22.54 ATOM 5 CG MET 1 -16.278 6.518 -8.263 1.00 24.20 ATOM 6 HG1 MET 1 -15.957 7.303 -8.933 1.00 36.81 ATOM 7 HG2 MET 1 -15.408 6.030 -7.848 1.00 71.51 ATOM 8 SD MET 1 -17.234 7.260 -6.927 1.00 2.42 ATOM 9 CE MET 1 -16.727 6.243 -5.542 1.00 53.32 ATOM 10 HE1 MET 1 -17.231 6.577 -4.647 1.00 42.41 ATOM 11 HE2 MET 1 -15.659 6.326 -5.406 1.00 72.41 ATOM 12 HE3 MET 1 -16.986 5.213 -5.738 1.00 25.34 ATOM 13 C MET 1 -15.238 3.897 -9.608 1.00 40.54 ATOM 14 O MET 1 -14.071 4.259 -9.459 1.00 35.54 ATOM 15 N MET 1 -17.177 4.139 -11.099 1.00 1.32 ATOM 16 HT1 MET 1 -17.787 4.822 -11.595 1.00 36.81 ATOM 17 HT2 MET 1 -17.787 3.471 -10.584 1.00 36.81 ATOM 18 HT3 MET 1 -16.632 3.611 -11.815 1.00 36.81 ATOM 19 CA MET 1 -16.281 4.846 -10.191 1.00 10.13 ATOM 20 N GLY 2 -15.667 2.682 -9.281 1.00 44.02 ATOM 21 HN GLY 2 -16.610 2.439 -9.403 1.00 36.81 ATOM 22 CA GLY 2 -14.757 1.701 -8.719 1.00 10.13 ATOM 23 HA1 GLY 2 -13.990 2.201 -8.138 1.00 36.81 ATOM 24 HA2 GLY 2 -14.283 1.168 -9.531 1.00 65.22 ATOM 25 C GLY 2 -15.462 0.706 -7.819 1.00 30.41 ATOM 26 O GLY 2 -16.425 1.051 -7.134 1.00 34.33 ATOM 27 N HIS 3 -14.983 -0.534 -7.821 1.00 21.32 ATOM 28 HN HIS 3 -14.195 -0.746 -8.369 1.00 36.81 ATOM 29 CA HIS 3 -15.575 -1.584 -6.999 1.00 3.11 ATOM 30 HA HIS 3 -16.509 -1.225 -6.581 1.00 61.21 ATOM 31 CB HIS 3 -15.879 -2.817 -7.850 1.00 54.23 ATOM 32 HB1 HIS 3 -16.553 -2.535 -8.646 1.00 36.81 ATOM 33 HB2 HIS 3 -16.354 -3.569 -7.236 1.00 31.03 ATOM 34 CG HIS 3 -14.663 -3.430 -8.473 1.00 52.02 ATOM 35 ND1 HIS 3 -13.966 -4.471 -7.897 1.00 2.52 ATOM 36 HD1 HIS 3 -14.185 -4.906 -7.046 1.00 11.43 ATOM 37 CD2 HIS 3 -14.022 -3.145 -9.630 1.00 43.54 ATOM 38 HD2 HIS 3 -14.296 -2.380 -10.343 1.00 35.14 ATOM 39 CE1 HIS 3 -12.947 -4.797 -8.672 1.00 20.54 ATOM 40 HE1 HIS 3 -12.227 -5.578 -8.474 1.00 30.50 ATOM 41 NE2 HIS 3 -12.959 -4.008 -9.730 1.00 63.15 ATOM 42 HE2 HIS 3 -12.261 -3.974 -10.417 1.00 36.81 ATOM 43 C HIS 3 -14.646 -1.962 -5.849 1.00 30.01 ATOM 44 O HIS 3 -13.423 -1.910 -5.982 1.00 41.42 ATOM 45 N HIS 4 -15.235 -2.342 -4.719 1.00 61.35 ATOM 46 HN HIS 4 -16.218 -2.372 -4.666 1.00 36.81 ATOM 47 CA HIS 4 -14.460 -2.729 -3.546 1.00 10.01 ATOM 48 HA HIS 4 -13.407 -2.544 -3.734 1.00 21.33 ATOM 49 CB HIS 4 -14.880 -1.896 -2.334 1.00 62.23 ATOM 50 HB1 HIS 4 -14.345 -2.242 -1.458 1.00 36.81 ATOM 51 HB2 HIS 4 -15.941 -2.020 -2.171 1.00 73.52 ATOM 52 CG HIS 4 -14.600 -0.433 -2.487 1.00 50.13 ATOM 53 ND1 HIS 4 -13.341 0.071 -2.737 1.00 23.55 ATOM 54 HD1 HIS 4 -12.522 -0.458 -2.837 1.00 52.51 ATOM 55 CD2 HIS 4 -15.426 0.638 -2.427 1.00 32.43 ATOM 56 HD2 HIS 4 -16.492 0.616 -2.247 1.00 1.41 ATOM 57 CE1 HIS 4 -13.404 1.387 -2.821 1.00 11.41 ATOM 58 HE1 HIS 4 -12.571 2.049 -3.010 1.00 34.32 ATOM 59 NE2 HIS 4 -14.659 1.757 -2.637 1.00 62.30 ATOM 60 HE2 HIS 4 -15.001 2.669 -2.746 1.00 36.81 ATOM 61 C HIS 4 -14.637 -4.214 -3.243 1.00 43.13 ATOM 62 O HIS 4 -15.598 -4.614 -2.586 1.00 11.12 ATOM 63 N HIS 5 -13.703 -5.027 -3.728 1.00 14.10 ATOM 64 HN HIS 5 -12.958 -4.656 -4.256 1.00 36.81 ATOM 65 CA HIS 5 -13.756 -6.468 -3.509 1.00 74.14 ATOM 66 HA HIS 5 -14.542 -6.692 -2.794 1.00 42.41 ATOM 67 CB HIS 5 -14.063 -7.193 -4.820 1.00 61.11 ATOM 68 HB1 HIS 5 -13.888 -8.255 -4.698 1.00 36.81 ATOM 69 HB2 HIS 5 -13.413 -6.815 -5.594 1.00 45.50 ATOM 70 CG HIS 5 -15.476 -7.020 -5.284 1.00 54.21 ATOM 71 ND1 HIS 5 -15.850 -7.111 -6.608 1.00 74.42 ATOM 72 HD1 HIS 5 -15.250 -7.292 -7.361 1.00 74.11 ATOM 73 CD2 HIS 5 -16.610 -6.761 -4.591 1.00 51.35 ATOM 74 HD2 HIS 5 -16.692 -6.633 -3.521 1.00 32.11 ATOM 75 CE1 HIS 5 -17.153 -6.914 -6.710 1.00 63.41 ATOM 76 HE1 HIS 5 -17.724 -6.927 -7.626 1.00 34.01 ATOM 77 NE2 HIS 5 -17.638 -6.700 -5.500 1.00 44.14 ATOM 78 HE2 HIS 5 -18.589 -6.621 -5.279 1.00 36.81 ATOM 79 C HIS 5 -12.441 -6.978 -2.928 1.00 33.13 ATOM 80 O HIS 5 -11.370 -6.456 -3.237 1.00 2.20 ATOM 81 N HIS 6 -12.530 -8.001 -2.083 1.00 54.31 ATOM 82 HN HIS 6 -13.416 -8.388 -1.883 1.00 36.81 ATOM 83 CA HIS 6 -11.347 -8.581 -1.458 1.00 33.12 ATOM 84 HA HIS 6 -10.637 -7.785 -1.255 1.00 42.22 ATOM 85 CB HIS 6 -11.721 -9.255 -0.137 1.00 51.41 ATOM 86 HB1 HIS 6 -10.870 -9.807 0.242 1.00 36.81 ATOM 87 HB2 HIS 6 -12.538 -9.940 -0.309 1.00 52.43 ATOM 88 CG HIS 6 -12.144 -8.291 0.928 1.00 2.53 ATOM 89 ND1 HIS 6 -13.409 -8.282 1.477 1.00 61.31 ATOM 90 HD1 HIS 6 -14.142 -8.886 1.235 1.00 44.55 ATOM 91 CD2 HIS 6 -11.460 -7.300 1.548 1.00 53.25 ATOM 92 HD2 HIS 6 -10.431 -7.021 1.367 1.00 71.14 ATOM 93 CE1 HIS 6 -13.486 -7.327 2.386 1.00 22.02 ATOM 94 HE1 HIS 6 -14.357 -7.087 2.978 1.00 21.34 ATOM 95 NE2 HIS 6 -12.316 -6.716 2.449 1.00 74.22 ATOM 96 HE2 HIS 6 -12.070 -6.034 3.108 1.00 36.81 ATOM 97 C HIS 6 -10.682 -9.592 -2.387 1.00 50.34 ATOM 98 O HIS 6 -11.284 -10.046 -3.361 1.00 14.42 ATOM 99 N HIS 7 -9.436 -9.939 -2.081 1.00 70.23 ATOM 100 HN HIS 7 -8.996 -9.535 -1.296 1.00 36.81 ATOM 101 CA HIS 7 -8.689 -10.896 -2.890 1.00 22.13 ATOM 102 HA HIS 7 -9.384 -11.424 -3.537 1.00 55.51 ATOM 103 CB HIS 7 -7.661 -10.170 -3.758 1.00 55.53 ATOM 104 HB1 HIS 7 -6.816 -9.867 -3.151 1.00 36.81 ATOM 105 HB2 HIS 7 -8.121 -9.287 -4.180 1.00 4.54 ATOM 106 CG HIS 7 -7.150 -10.995 -4.898 1.00 60.24 ATOM 107 ND1 HIS 7 -7.977 -11.580 -5.834 1.00 63.41 ATOM 108 HD1 HIS 7 -8.955 -11.520 -5.851 1.00 33.35 ATOM 109 CD2 HIS 7 -5.887 -11.331 -5.252 1.00 12.22 ATOM 110 HD2 HIS 7 -4.980 -11.042 -4.740 1.00 35.21 ATOM 111 CE1 HIS 7 -7.245 -12.242 -6.713 1.00 3.23 ATOM 112 HE1 HIS 7 -7.622 -12.798 -7.559 1.00 1.52 ATOM 113 NE2 HIS 7 -5.973 -12.106 -6.382 1.00 51.22 ATOM 114 HE2 HIS 7 -5.214 -12.419 -6.917 1.00 36.81 ATOM 115 C HIS 7 -7.989 -11.924 -2.006 1.00 20.30 ATOM 116 O HIS 7 -7.558 -11.613 -0.895 1.00 54.11 ATOM 117 N HIS 8 -7.880 -13.151 -2.506 1.00 63.03 ATOM 118 HN HIS 8 -8.233 -13.339 -3.409 1.00 36.81 ATOM 119 CA HIS 8 -7.232 -14.225 -1.762 1.00 33.41 ATOM 120 HA HIS 8 -7.465 -14.103 -0.709 1.00 42.11 ATOM 121 CB HIS 8 -7.767 -15.584 -2.217 1.00 44.32 ATOM 122 HB1 HIS 8 -7.404 -16.348 -1.545 1.00 36.81 ATOM 123 HB2 HIS 8 -7.412 -15.794 -3.218 1.00 51.23 ATOM 124 CG HIS 8 -9.262 -15.663 -2.238 1.00 50.32 ATOM 125 ND1 HIS 8 -10.057 -15.153 -1.233 1.00 22.40 ATOM 126 HD1 HIS 8 -9.738 -14.700 -0.425 1.00 75.13 ATOM 127 CD2 HIS 8 -10.108 -16.194 -3.152 1.00 22.35 ATOM 128 HD2 HIS 8 -9.830 -16.680 -4.077 1.00 14.03 ATOM 129 CE1 HIS 8 -11.327 -15.370 -1.526 1.00 45.12 ATOM 130 HE1 HIS 8 -12.174 -15.080 -0.921 1.00 13.02 ATOM 131 NE2 HIS 8 -11.385 -16.000 -2.686 1.00 1.32 ATOM 132 HE2 HIS 8 -12.200 -16.363 -3.092 1.00 36.81 ATOM 133 C HIS 8 -5.718 -14.175 -1.941 1.00 50.15 ATOM 134 O HIS 8 -5.175 -14.752 -2.884 1.00 14.03 ATOM 135 N SER 9 -5.042 -13.480 -1.032 1.00 21.40 ATOM 136 HN SER 9 -5.535 -13.039 -0.298 1.00 36.81 ATOM 137 CA SER 9 -3.591 -13.351 -1.093 1.00 3.33 ATOM 138 HA SER 9 -3.340 -12.817 -1.999 1.00 32.12 ATOM 139 CB SER 9 -3.078 -12.555 0.109 1.00 41.41 ATOM 140 HB1 SER 9 -3.169 -13.147 1.011 1.00 36.81 ATOM 141 HB2 SER 9 -3.666 -11.655 0.214 1.00 22.34 ATOM 142 OG SER 9 -1.721 -12.186 -0.065 1.00 42.33 ATOM 143 HG SER 9 -1.153 -12.929 0.157 1.00 54.23 ATOM 144 C SER 9 -2.924 -14.722 -1.130 1.00 62.43 ATOM 145 O SER 9 -1.934 -14.925 -1.834 1.00 62.11 ATOM 146 N HIS 10 -3.474 -15.662 -0.368 1.00 2.04 ATOM 147 HN HIS 10 -4.255 -15.453 0.190 1.00 36.81 ATOM 148 CA HIS 10 -2.933 -17.016 -0.313 1.00 55.32 ATOM 149 HA HIS 10 -3.517 -17.578 0.402 1.00 30.25 ATOM 150 CB HIS 10 -3.043 -17.686 -1.683 1.00 23.52 ATOM 151 HB1 HIS 10 -2.266 -18.434 -1.790 1.00 36.81 ATOM 152 HB2 HIS 10 -2.929 -16.962 -2.472 1.00 21.11 ATOM 153 CG HIS 10 -4.344 -18.395 -1.901 1.00 13.33 ATOM 154 ND1 HIS 10 -4.765 -19.453 -1.123 1.00 43.10 ATOM 155 HD1 HIS 10 -4.272 -19.842 -0.370 1.00 42.22 ATOM 156 CD2 HIS 10 -5.321 -18.190 -2.815 1.00 15.23 ATOM 157 HD2 HIS 10 -5.326 -17.435 -3.589 1.00 60.51 ATOM 158 CE1 HIS 10 -5.943 -19.869 -1.550 1.00 74.43 ATOM 159 HE1 HIS 10 -6.515 -20.683 -1.131 1.00 23.15 ATOM 160 NE2 HIS 10 -6.304 -19.119 -2.576 1.00 22.12 ATOM 161 HE2 HIS 10 -7.088 -19.276 -3.142 1.00 36.81 ATOM 162 C HIS 10 -1.478 -17.002 0.145 1.00 12.20 ATOM 163 O HIS 10 -0.559 -17.294 -0.619 1.00 65.45 ATOM 164 N PRO 11 -1.263 -16.653 1.422 1.00 24.11 ATOM 165 CA PRO 11 0.079 -16.592 2.011 1.00 73.55 ATOM 166 HA PRO 11 0.738 -15.965 1.424 1.00 53.33 ATOM 167 CB PRO 11 -0.162 -15.943 3.376 1.00 42.15 ATOM 168 HB1 PRO 11 -0.017 -14.876 3.294 1.00 36.81 ATOM 169 HB2 PRO 11 0.518 -16.342 4.119 1.00 51.25 ATOM 170 CG PRO 11 -1.579 -16.264 3.703 1.00 12.33 ATOM 171 HG1 PRO 11 -1.990 -15.499 4.345 1.00 36.81 ATOM 172 HG2 PRO 11 -1.635 -17.229 4.184 1.00 44.11 ATOM 173 CD PRO 11 -2.312 -16.292 2.390 1.00 3.13 ATOM 174 HD1 PRO 11 -2.726 -15.320 2.167 1.00 36.81 ATOM 175 HD2 PRO 11 -3.091 -17.038 2.419 1.00 52.15 ATOM 176 C PRO 11 0.700 -17.975 2.180 1.00 2.53 ATOM 177 O PRO 11 -0.003 -18.958 2.407 1.00 11.01 ATOM 178 N ASN 12 2.023 -18.041 2.070 1.00 60.15 ATOM 179 HN ASN 12 2.525 -17.206 1.924 1.00 36.81 ATOM 180 CA ASN 12 2.739 -19.304 2.211 1.00 43.41 ATOM 181 HA ASN 12 2.374 -19.985 1.454 1.00 71.04 ATOM 182 CB ASN 12 4.239 -19.089 1.999 1.00 64.41 ATOM 183 HB1 ASN 12 4.712 -20.050 1.857 1.00 36.81 ATOM 184 HB2 ASN 12 4.666 -18.613 2.874 1.00 13.43 ATOM 185 CG ASN 12 4.535 -18.231 0.784 1.00 32.20 ATOM 186 OD1 ASN 12 4.389 -18.676 -0.354 1.00 73.25 ATOM 187 ND2 ASN 12 4.953 -16.993 1.022 1.00 62.52 ATOM 188 HD21 ASN 12 5.051 -16.689 1.952 1.00 74.24 ATOM 189 HD22 ASN 12 5.150 -16.423 0.249 1.00 51.25 ATOM 190 C ASN 12 2.491 -19.919 3.585 1.00 43.21 ATOM 191 O ASN 12 1.832 -19.320 4.434 1.00 41.43 ATOM 192 N GLU 13 3.025 -21.118 3.795 1.00 31.04 ATOM 193 HN GLU 13 3.549 -21.546 3.076 1.00 36.81 ATOM 194 CA GLU 13 2.861 -21.814 5.066 1.00 11.13 ATOM 195 HA GLU 13 1.812 -21.850 5.293 1.00 2.02 ATOM 196 CB GLU 13 3.387 -23.247 4.960 1.00 3.32 ATOM 197 HB1 GLU 13 4.419 -23.215 4.640 1.00 36.81 ATOM 198 HB2 GLU 13 2.806 -23.775 4.217 1.00 31.03 ATOM 199 CG GLU 13 3.312 -24.021 6.265 1.00 3.14 ATOM 200 HG1 GLU 13 2.286 -24.074 6.582 1.00 36.81 ATOM 201 HG2 GLU 13 3.892 -23.509 7.017 1.00 43.42 ATOM 202 CD GLU 13 3.859 -25.430 6.140 1.00 2.34 ATOM 203 OE1 GLU 13 4.134 -25.861 5.001 1.00 22.14 ATOM 204 OE2 GLU 13 4.012 -26.101 7.183 1.00 44.43 ATOM 205 C GLU 13 3.586 -21.076 6.188 1.00 14.12 ATOM 206 O GLU 13 3.096 -21.004 7.315 1.00 71.33 ATOM 207 N GLU 14 4.755 -20.530 5.870 1.00 2.34 ATOM 208 HN GLU 14 5.100 -20.621 4.951 1.00 36.81 ATOM 209 CA GLU 14 5.548 -19.799 6.852 1.00 51.41 ATOM 210 HA GLU 14 5.614 -20.409 7.747 1.00 11.23 ATOM 211 CB GLU 14 6.955 -19.536 6.311 1.00 52.04 ATOM 212 HB1 GLU 14 7.052 -18.500 6.010 1.00 36.81 ATOM 213 HB2 GLU 14 7.112 -20.159 5.439 1.00 30.02 ATOM 214 CG GLU 14 8.058 -19.840 7.310 1.00 0.22 ATOM 215 HG1 GLU 14 7.852 -20.789 7.789 1.00 36.81 ATOM 216 HG2 GLU 14 8.076 -19.059 8.055 1.00 1.25 ATOM 217 CD GLU 14 9.427 -19.919 6.662 1.00 33.42 ATOM 218 OE1 GLU 14 9.500 -19.824 5.419 1.00 2.11 ATOM 219 OE2 GLU 14 10.424 -20.077 7.397 1.00 35.23 ATOM 220 C GLU 14 4.877 -18.478 7.218 1.00 2.30 ATOM 221 O GLU 14 4.743 -18.143 8.395 1.00 41.35 ATOM 222 N ALA 15 4.458 -17.732 6.201 1.00 4.30 ATOM 223 HN ALA 15 4.601 -18.050 5.277 1.00 36.81 ATOM 224 CA ALA 15 3.801 -16.449 6.415 1.00 54.42 ATOM 225 HA ALA 15 4.504 -15.788 6.905 1.00 51.52 ATOM 226 CB ALA 15 3.418 -15.823 5.082 1.00 42.04 ATOM 227 HB1 ALA 15 2.984 -14.847 5.249 1.00 32.45 ATOM 228 HB2 ALA 15 2.702 -16.455 4.575 1.00 32.13 ATOM 229 HB3 ALA 15 4.301 -15.721 4.469 1.00 74.42 ATOM 230 C ALA 15 2.569 -16.604 7.301 1.00 5.21 ATOM 231 O ALA 15 2.394 -15.866 8.271 1.00 24.21 ATOM 232 N ARG 16 1.719 -17.567 6.961 1.00 10.22 ATOM 233 HN ARG 16 1.915 -18.129 6.173 1.00 36.81 ATOM 234 CA ARG 16 0.503 -17.817 7.725 1.00 11.15 ATOM 235 HA ARG 16 -0.027 -16.888 7.822 1.00 40.11 ATOM 236 CB ARG 16 -0.393 -18.814 6.988 1.00 44.13 ATOM 237 HB1 ARG 16 -0.514 -18.482 5.967 1.00 36.81 ATOM 238 HB2 ARG 16 -1.361 -18.828 7.471 1.00 74.02 ATOM 239 CG ARG 16 0.159 -20.230 6.970 1.00 74.31 ATOM 240 HG1 ARG 16 0.334 -20.571 7.974 1.00 36.81 ATOM 241 HG2 ARG 16 1.069 -20.230 6.427 1.00 24.05 ATOM 242 CD ARG 16 -0.811 -21.197 6.308 1.00 21.02 ATOM 243 HD1 ARG 16 -0.951 -20.876 5.284 1.00 36.81 ATOM 244 HD2 ARG 16 -1.757 -21.162 6.832 1.00 52.42 ATOM 245 NE ARG 16 -0.312 -22.570 6.325 1.00 14.34 ATOM 246 HE ARG 16 0.408 -22.791 6.950 1.00 34.21 ATOM 247 CZ ARG 16 -0.757 -23.523 5.514 1.00 23.12 ATOM 248 NH1 ARG 16 -1.704 -23.254 4.626 1.00 64.31 ATOM 249 HH11 ARG 16 -2.105 -22.345 4.546 1.00 50.34 ATOM 250 HH12 ARG 16 -2.029 -23.981 4.017 1.00 4.23 ATOM 251 NH2 ARG 16 -0.253 -24.748 5.590 1.00 33.52 ATOM 252 HH21 ARG 16 0.457 -24.961 6.259 1.00 12.25 ATOM 253 HH22 ARG 16 -0.584 -25.467 4.975 1.00 73.24 ATOM 254 C ARG 16 0.835 -18.348 9.117 1.00 52.10 ATOM 255 O ARG 16 0.131 -18.062 10.087 1.00 41.24 ATOM 256 N LEU 17 1.910 -19.123 9.208 1.00 41.42 ATOM 257 HN LEU 17 2.432 -19.332 8.398 1.00 36.81 ATOM 258 CA LEU 17 2.336 -19.695 10.481 1.00 52.55 ATOM 259 HA LEU 17 1.489 -20.195 10.930 1.00 1.31 ATOM 260 CB LEU 17 3.444 -20.724 10.254 1.00 31.42 ATOM 261 HB1 LEU 17 4.137 -20.309 9.532 1.00 36.81 ATOM 262 HB2 LEU 17 2.996 -21.609 9.821 1.00 73.23 ATOM 263 CG LEU 17 4.239 -21.138 11.493 1.00 31.20 ATOM 264 HG LEU 17 4.659 -20.265 11.957 1.00 31.45 ATOM 265 CD1 LEU 17 3.333 -21.824 12.504 1.00 1.01 ATOM 266 HD11 LEU 17 2.904 -22.716 12.069 1.00 71.43 ATOM 267 HD12 LEU 17 2.542 -21.151 12.805 1.00 34.34 ATOM 268 HD13 LEU 17 3.918 -22.090 13.363 1.00 13.55 ATOM 269 CD2 LEU 17 5.395 -22.049 11.105 1.00 35.24 ATOM 270 HD21 LEU 17 5.012 -22.948 10.642 1.00 1.22 ATOM 271 HD22 LEU 17 5.961 -22.313 11.988 1.00 60.12 ATOM 272 HD23 LEU 17 6.043 -21.535 10.409 1.00 11.32 ATOM 273 C LEU 17 2.824 -18.606 11.431 1.00 41.34 ATOM 274 O LEU 17 2.498 -18.612 12.618 1.00 50.22 ATOM 275 N ASP 18 3.605 -17.672 10.900 1.00 44.31 ATOM 276 HN ASP 18 3.844 -17.726 9.945 1.00 36.81 ATOM 277 CA ASP 18 4.136 -16.574 11.700 1.00 42.22 ATOM 278 HA ASP 18 4.805 -17.006 12.431 1.00 50.32 ATOM 279 CB ASP 18 4.901 -15.591 10.812 1.00 60.02 ATOM 280 HB1 ASP 18 4.227 -14.840 10.417 1.00 36.81 ATOM 281 HB2 ASP 18 5.345 -16.129 9.985 1.00 55.43 ATOM 282 CG ASP 18 6.020 -14.889 11.555 1.00 23.25 ATOM 283 OD1 ASP 18 6.657 -15.534 12.416 1.00 40.55 ATOM 284 OD2 ASP 18 6.260 -13.696 11.277 1.00 43.01 ATOM 285 C ASP 18 3.016 -15.847 12.437 1.00 55.15 ATOM 286 O ASP 18 3.169 -15.463 13.596 1.00 3.33 ATOM 287 N ILE 19 1.890 -15.661 11.755 1.00 31.14 ATOM 288 HN ILE 19 1.823 -16.007 10.837 1.00 36.81 ATOM 289 CA ILE 19 0.744 -14.980 12.346 1.00 61.34 ATOM 290 HA ILE 19 1.020 -13.952 12.529 1.00 70.34 ATOM 291 CB ILE 19 -0.469 -14.993 11.396 1.00 23.54 ATOM 292 HB ILE 19 -0.730 -16.019 11.210 1.00 21.25 ATOM 293 CG1 ILE 19 -0.114 -14.316 10.071 1.00 11.12 ATOM 294 HG11 ILE 19 0.888 -14.576 9.768 1.00 36.81 ATOM 295 HG12 ILE 19 -0.169 -13.242 10.184 1.00 22.05 ATOM 296 CG2 ILE 19 -1.659 -14.305 12.048 1.00 44.21 ATOM 297 HG21 ILE 19 -1.971 -14.844 12.926 1.00 73.50 ATOM 298 HG22 ILE 19 -2.482 -14.268 11.349 1.00 12.45 ATOM 299 HG23 ILE 19 -1.386 -13.296 12.326 1.00 35.05 ATOM 300 CD1 ILE 19 -1.031 -14.701 8.931 1.00 22.23 ATOM 301 HD11 ILE 19 -0.504 -14.588 7.995 1.00 65.21 ATOM 302 HD12 ILE 19 -1.890 -14.050 8.935 1.00 74.32 ATOM 303 HD13 ILE 19 -1.357 -15.727 9.040 1.00 42.45 ATOM 304 C ILE 19 0.346 -15.622 13.670 1.00 33.22 ATOM 305 O ILE 19 -0.103 -14.941 14.593 1.00 5.51 ATOM 306 N LEU 20 0.514 -16.937 13.758 1.00 34.02 ATOM 307 HN LEU 20 0.858 -17.440 12.984 1.00 36.81 ATOM 308 CA LEU 20 0.173 -17.672 14.971 1.00 24.34 ATOM 309 HA LEU 20 -0.776 -17.306 15.335 1.00 45.13 ATOM 310 CB LEU 20 0.042 -19.165 14.666 1.00 35.43 ATOM 311 HB1 LEU 20 0.038 -19.697 15.612 1.00 36.81 ATOM 312 HB2 LEU 20 0.926 -19.472 14.131 1.00 52.01 ATOM 313 CG LEU 20 -1.200 -19.582 13.876 1.00 4.02 ATOM 314 HG LEU 20 -1.819 -18.722 13.703 1.00 3.13 ATOM 315 CD1 LEU 20 -0.804 -20.157 12.525 1.00 50.20 ATOM 316 HD11 LEU 20 -0.235 -19.426 11.980 1.00 2.32 ATOM 317 HD12 LEU 20 -1.692 -20.408 11.962 1.00 42.40 ATOM 318 HD13 LEU 20 -0.204 -21.046 12.667 1.00 62.53 ATOM 319 CD2 LEU 20 -2.022 -20.590 14.667 1.00 44.44 ATOM 320 HD21 LEU 20 -1.428 -21.473 14.863 1.00 1.21 ATOM 321 HD22 LEU 20 -2.900 -20.867 14.100 1.00 10.41 ATOM 322 HD23 LEU 20 -2.330 -20.149 15.604 1.00 1.13 ATOM 323 C LEU 20 1.226 -17.454 16.054 1.00 52.33 ATOM 324 O LEU 20 0.900 -17.123 17.194 1.00 42.30 ATOM 325 N LYS 21 2.490 -17.639 15.688 1.00 32.15 ATOM 326 HN LYS 21 2.689 -17.910 14.759 1.00 36.81 ATOM 327 CA LYS 21 3.592 -17.459 16.626 1.00 31.21 ATOM 328 HA LYS 21 3.472 -18.178 17.421 1.00 32.13 ATOM 329 CB LYS 21 4.930 -17.708 15.926 1.00 32.12 ATOM 330 HB1 LYS 21 5.736 -17.347 16.554 1.00 36.81 ATOM 331 HB2 LYS 21 4.935 -17.149 15.000 1.00 3.25 ATOM 332 CG LYS 21 5.196 -19.173 15.627 1.00 25.21 ATOM 333 HG1 LYS 21 4.261 -19.644 15.359 1.00 36.81 ATOM 334 HG2 LYS 21 5.594 -19.646 16.512 1.00 53.02 ATOM 335 CD LYS 21 6.149 -19.339 14.455 1.00 5.42 ATOM 336 HD1 LYS 21 6.467 -18.371 14.085 1.00 36.81 ATOM 337 HD2 LYS 21 5.638 -19.866 13.672 1.00 22.12 ATOM 338 CE LYS 21 7.380 -20.143 14.846 1.00 34.05 ATOM 339 HE1 LYS 21 7.150 -21.194 14.755 1.00 36.81 ATOM 340 HE2 LYS 21 7.652 -19.922 15.871 1.00 12.02 ATOM 341 NZ LYS 21 8.547 -19.830 13.977 1.00 50.34 ATOM 342 HZ1 LYS 21 9.369 -20.395 14.271 1.00 42.23 ATOM 343 HZ2 LYS 21 8.793 -18.821 14.050 1.00 11.41 ATOM 344 HZ3 LYS 21 8.328 -20.052 12.983 1.00 10.22 ATOM 345 C LYS 21 3.573 -16.057 17.225 1.00 12.44 ATOM 346 O LYS 21 3.791 -15.881 18.425 1.00 71.24 ATOM 347 N ILE 22 3.310 -15.062 16.384 1.00 34.34 ATOM 348 HN ILE 22 3.136 -15.263 15.435 1.00 36.81 ATOM 349 CA ILE 22 3.260 -13.676 16.833 1.00 74.24 ATOM 350 HA ILE 22 4.214 -13.433 17.278 1.00 73.31 ATOM 351 CB ILE 22 3.015 -12.713 15.656 1.00 1.44 ATOM 352 HB ILE 22 2.068 -12.975 15.201 1.00 24.21 ATOM 353 CG1 ILE 22 4.133 -12.844 14.620 1.00 71.41 ATOM 354 HG11 ILE 22 4.511 -13.852 14.589 1.00 36.81 ATOM 355 HG12 ILE 22 4.951 -12.186 14.884 1.00 54.54 ATOM 356 CG2 ILE 22 2.916 -11.280 16.157 1.00 3.54 ATOM 357 HG21 ILE 22 3.766 -11.049 16.785 1.00 54.11 ATOM 358 HG22 ILE 22 2.005 -11.148 16.720 1.00 52.31 ATOM 359 HG23 ILE 22 2.904 -10.600 15.315 1.00 34.23 ATOM 360 CD1 ILE 22 3.702 -12.480 13.216 1.00 34.45 ATOM 361 HD11 ILE 22 2.911 -13.133 12.899 1.00 31.43 ATOM 362 HD12 ILE 22 4.539 -12.577 12.547 1.00 13.33 ATOM 363 HD13 ILE 22 3.350 -11.459 13.203 1.00 41.23 ATOM 364 C ILE 22 2.166 -13.475 17.876 1.00 53.02 ATOM 365 O ILE 22 2.356 -12.761 18.861 1.00 22.21 ATOM 366 N HIS 23 1.019 -14.110 17.654 1.00 64.34 ATOM 367 HN HIS 23 0.919 -14.667 16.846 1.00 36.81 ATOM 368 CA HIS 23 -0.105 -14.003 18.576 1.00 33.20 ATOM 369 HA HIS 23 -0.190 -12.971 18.894 1.00 61.44 ATOM 370 CB HIS 23 -1.402 -14.425 17.884 1.00 63.30 ATOM 371 HB1 HIS 23 -2.156 -14.671 18.623 1.00 36.81 ATOM 372 HB2 HIS 23 -1.199 -15.292 17.281 1.00 44.21 ATOM 373 CG HIS 23 -1.972 -13.371 16.986 1.00 50.00 ATOM 374 ND1 HIS 23 -2.047 -12.040 17.340 1.00 21.53 ATOM 375 HD1 HIS 23 -1.752 -11.655 18.191 1.00 12.11 ATOM 376 CD2 HIS 23 -2.495 -13.457 15.741 1.00 71.15 ATOM 377 HD2 HIS 23 -2.596 -14.356 15.149 1.00 63.43 ATOM 378 CE1 HIS 23 -2.593 -11.354 16.352 1.00 21.15 ATOM 379 HE1 HIS 23 -2.777 -10.290 16.348 1.00 31.43 ATOM 380 NE2 HIS 23 -2.874 -12.190 15.369 1.00 23.34 ATOM 381 HE2 HIS 23 -3.193 -11.929 14.480 1.00 36.81 ATOM 382 C HIS 23 0.126 -14.861 19.816 1.00 33.14 ATOM 383 O HIS 23 -0.409 -14.577 20.888 1.00 11.20 ATOM 384 N SER 24 0.925 -15.912 19.663 1.00 72.03 ATOM 385 HN SER 24 1.321 -16.103 18.784 1.00 36.81 ATOM 386 CA SER 24 1.223 -16.814 20.769 1.00 12.01 ATOM 387 HA SER 24 0.329 -16.930 21.371 1.00 4.30 ATOM 388 CB SER 24 1.632 -18.189 20.238 1.00 70.12 ATOM 389 HB1 SER 24 0.954 -18.496 19.455 1.00 36.81 ATOM 390 HB2 SER 24 1.595 -18.884 21.037 1.00 20.43 ATOM 391 OG SER 24 2.952 -18.165 19.722 1.00 13.41 ATOM 392 HG SER 24 3.596 -18.163 20.432 1.00 63.44 ATOM 393 C SER 24 2.332 -16.246 21.650 1.00 53.24 ATOM 394 O SER 24 2.424 -16.566 22.835 1.00 73.02 ATOM 395 N ARG 25 3.172 -15.401 21.061 1.00 53.11 ATOM 396 HN ARG 25 3.071 -15.196 20.103 1.00 36.81 ATOM 397 CA ARG 25 4.276 -14.788 21.790 1.00 34.42 ATOM 398 HA ARG 25 4.972 -15.572 22.058 1.00 65.34 ATOM 399 CB ARG 25 4.983 -13.754 20.913 1.00 54.30 ATOM 400 HB1 ARG 25 5.404 -12.974 21.537 1.00 36.81 ATOM 401 HB2 ARG 25 4.259 -13.307 20.249 1.00 61.42 ATOM 402 CG ARG 25 6.115 -14.333 20.081 1.00 4.50 ATOM 403 HG1 ARG 25 5.791 -15.261 19.631 1.00 36.81 ATOM 404 HG2 ARG 25 6.951 -14.525 20.733 1.00 43.02 ATOM 405 CD ARG 25 6.548 -13.372 18.984 1.00 23.14 ATOM 406 HD1 ARG 25 7.275 -12.684 19.391 1.00 36.81 ATOM 407 HD2 ARG 25 5.692 -12.811 18.636 1.00 12.32 ATOM 408 NE ARG 25 7.135 -14.071 17.845 1.00 65.53 ATOM 409 HE ARG 25 6.613 -14.094 17.013 1.00 71.12 ATOM 410 CZ ARG 25 8.322 -14.667 17.880 1.00 21.40 ATOM 411 NH1 ARG 25 9.044 -14.649 18.992 1.00 70.20 ATOM 412 HH11 ARG 25 8.735 -14.190 19.815 1.00 24.44 ATOM 413 HH12 ARG 25 9.932 -15.113 19.007 1.00 13.33 ATOM 414 NH2 ARG 25 8.789 -15.284 16.802 1.00 52.45 ATOM 415 HH21 ARG 25 8.248 -15.303 15.958 1.00 43.35 ATOM 416 HH22 ARG 25 9.684 -15.734 16.827 1.00 52.40 ATOM 417 C ARG 25 3.780 -14.129 23.074 1.00 73.12 ATOM 418 O ARG 25 4.506 -14.049 24.065 1.00 63.14 ATOM 419 N LYS 26 2.538 -13.657 23.049 1.00 72.41 ATOM 420 HN LYS 26 2.007 -13.706 22.223 1.00 36.81 ATOM 421 CA LYS 26 1.943 -13.005 24.210 1.00 60.44 ATOM 422 HA LYS 26 2.731 -12.541 24.795 1.00 53.31 ATOM 423 CB LYS 26 0.959 -11.922 23.763 1.00 12.10 ATOM 424 HB1 LYS 26 0.277 -11.704 24.580 1.00 36.81 ATOM 425 HB2 LYS 26 0.388 -12.290 22.922 1.00 30.13 ATOM 426 CG LYS 26 1.630 -10.624 23.348 1.00 1.03 ATOM 427 HG1 LYS 26 2.072 -10.759 22.371 1.00 36.81 ATOM 428 HG2 LYS 26 2.404 -10.378 24.065 1.00 51.02 ATOM 429 CD LYS 26 0.636 -9.476 23.289 1.00 71.45 ATOM 430 HD1 LYS 26 0.184 -9.349 24.263 1.00 36.81 ATOM 431 HD2 LYS 26 -0.129 -9.708 22.562 1.00 35.04 ATOM 432 CE LYS 26 1.312 -8.174 22.889 1.00 11.43 ATOM 433 HE1 LYS 26 1.695 -8.275 21.884 1.00 36.81 ATOM 434 HE2 LYS 26 2.131 -7.977 23.568 1.00 31.34 ATOM 435 NZ LYS 26 0.368 -7.023 22.934 1.00 50.34 ATOM 436 HZ1 LYS 26 0.861 -6.150 22.656 1.00 4.20 ATOM 437 HZ2 LYS 26 -0.009 -6.900 23.897 1.00 51.31 ATOM 438 HZ3 LYS 26 -0.427 -7.180 22.279 1.00 22.42 ATOM 439 C LYS 26 1.230 -14.020 25.098 1.00 71.04 ATOM 440 O LYS 26 1.123 -13.831 26.309 1.00 73.21 ATOM 441 N MET 27 0.745 -15.097 24.487 1.00 5.42 ATOM 442 HN MET 27 0.825 -15.186 23.517 1.00 36.81 ATOM 443 CA MET 27 0.045 -16.142 25.224 1.00 21.11 ATOM 444 HA MET 27 -0.402 -15.708 26.112 1.00 34.31 ATOM 445 CB MET 27 -1.068 -16.744 24.364 1.00 64.13 ATOM 446 HB1 MET 27 -1.464 -17.631 24.835 1.00 36.81 ATOM 447 HB2 MET 27 -0.639 -17.024 23.413 1.00 23.23 ATOM 448 CG MET 27 -2.233 -15.797 24.128 1.00 33.53 ATOM 449 HG1 MET 27 -1.881 -14.773 24.161 1.00 36.81 ATOM 450 HG2 MET 27 -2.963 -15.947 24.909 1.00 51.43 ATOM 451 SD MET 27 -3.036 -16.067 22.537 1.00 75.14 ATOM 452 CE MET 27 -3.151 -17.854 22.514 1.00 73.41 ATOM 453 HE1 MET 27 -2.171 -18.277 22.349 1.00 50.32 ATOM 454 HE2 MET 27 -3.814 -18.162 21.719 1.00 65.41 ATOM 455 HE3 MET 27 -3.538 -18.202 23.460 1.00 31.24 ATOM 456 C MET 27 1.011 -17.237 25.665 1.00 4.22 ATOM 457 O MET 27 2.219 -17.132 25.456 1.00 22.32 ATOM 458 N ASN 28 0.471 -18.286 26.277 1.00 40.14 ATOM 459 HN ASN 28 -0.498 -18.315 26.447 1.00 36.81 ATOM 460 CA ASN 28 1.286 -19.399 26.748 1.00 64.50 ATOM 461 HA ASN 28 2.332 -19.105 26.735 1.00 33.21 ATOM 462 CB ASN 28 0.901 -19.770 28.182 1.00 42.33 ATOM 463 HB1 ASN 28 1.314 -20.735 28.429 1.00 36.81 ATOM 464 HB2 ASN 28 -0.174 -19.810 28.253 1.00 5.42 ATOM 465 CG ASN 28 1.410 -18.763 29.195 1.00 31.04 ATOM 466 OD1 ASN 28 2.431 -18.109 28.979 1.00 34.42 ATOM 467 ND2 ASN 28 0.699 -18.634 30.309 1.00 35.13 ATOM 468 HD21 ASN 28 -0.104 -19.182 30.418 1.00 5.24 ATOM 469 HD22 ASN 28 1.009 -17.991 30.981 1.00 4.23 ATOM 470 C ASN 28 1.128 -20.613 25.837 1.00 30.34 ATOM 471 O ASN 28 0.072 -20.820 25.238 1.00 71.01 ATOM 472 N LEU 29 2.184 -21.414 25.739 1.00 53.43 ATOM 473 HN LEU 29 3.009 -21.195 26.233 1.00 36.81 ATOM 474 CA LEU 29 2.163 -22.608 24.902 1.00 74.22 ATOM 475 HA LEU 29 1.142 -22.836 24.644 1.00 21.00 ATOM 476 CB LEU 29 2.942 -22.363 23.609 1.00 52.35 ATOM 477 HB1 LEU 29 2.773 -23.206 22.961 1.00 36.81 ATOM 478 HB2 LEU 29 3.999 -22.331 23.857 1.00 30.14 ATOM 479 CG LEU 29 2.592 -21.084 22.846 1.00 35.24 ATOM 480 HG LEU 29 2.577 -20.248 23.529 1.00 31.44 ATOM 481 CD1 LEU 29 3.642 -20.789 21.787 1.00 22.42 ATOM 482 HD11 LEU 29 4.624 -20.782 22.240 1.00 72.12 ATOM 483 HD12 LEU 29 3.454 -19.837 21.358 1.00 63.43 ATOM 484 HD13 LEU 29 3.611 -21.547 21.016 1.00 72.01 ATOM 485 CD2 LEU 29 1.212 -21.201 22.214 1.00 23.11 ATOM 486 HD21 LEU 29 0.516 -21.630 22.923 1.00 52.11 ATOM 487 HD22 LEU 29 1.255 -21.831 21.337 1.00 53.24 ATOM 488 HD23 LEU 29 0.859 -20.228 21.936 1.00 74.24 ATOM 489 C LEU 29 2.751 -23.804 25.644 1.00 1.33 ATOM 490 O LEU 29 3.625 -23.650 26.499 1.00 53.24 ATOM 491 N THR 30 2.268 -24.997 25.311 1.00 1.25 ATOM 492 HN THR 30 1.565 -25.055 24.621 1.00 36.81 ATOM 493 CA THR 30 2.746 -26.219 25.945 1.00 4.13 ATOM 494 HA THR 30 2.608 -26.123 27.015 1.00 35.40 ATOM 495 CB THR 30 1.949 -27.448 25.469 1.00 0.24 ATOM 496 HB THR 30 0.902 -27.268 25.649 1.00 4.31 ATOM 497 OG1 THR 30 2.353 -28.609 26.204 1.00 10.42 ATOM 498 HG1 THR 30 1.916 -28.618 27.059 1.00 74.10 ATOM 499 CG2 THR 30 2.158 -27.685 23.981 1.00 32.34 ATOM 500 HG21 THR 30 3.206 -27.801 23.752 1.00 20.01 ATOM 501 HG22 THR 30 1.754 -26.855 23.430 1.00 54.13 ATOM 502 HG23 THR 30 1.633 -28.584 23.693 1.00 15.44 ATOM 503 C THR 30 4.226 -26.445 25.657 1.00 2.23 ATOM 504 O THR 30 4.815 -25.765 24.816 1.00 23.44 ATOM 505 N ARG 31 4.821 -27.403 26.360 1.00 64.34 ATOM 506 HN ARG 31 4.293 -27.924 27.012 1.00 36.81 ATOM 507 CA ARG 31 6.233 -27.718 26.179 1.00 64.10 ATOM 508 HA ARG 31 6.773 -26.791 26.021 1.00 63.12 ATOM 509 CB ARG 31 6.788 -28.406 27.428 1.00 61.34 ATOM 510 HB1 ARG 31 7.800 -28.744 27.234 1.00 36.81 ATOM 511 HB2 ARG 31 6.171 -29.264 27.652 1.00 33.22 ATOM 512 CG ARG 31 6.815 -27.511 28.655 1.00 12.15 ATOM 513 HG1 ARG 31 7.159 -28.091 29.500 1.00 36.81 ATOM 514 HG2 ARG 31 5.816 -27.149 28.849 1.00 31.12 ATOM 515 CD ARG 31 7.741 -26.321 28.457 1.00 21.24 ATOM 516 HD1 ARG 31 7.206 -25.565 27.901 1.00 36.81 ATOM 517 HD2 ARG 31 8.615 -26.623 27.891 1.00 74.20 ATOM 518 NE ARG 31 8.171 -25.745 29.728 1.00 4.04 ATOM 519 HE ARG 31 7.776 -24.885 29.989 1.00 15.22 ATOM 520 CZ ARG 31 9.057 -26.321 30.534 1.00 35.03 ATOM 521 NH1 ARG 31 9.603 -27.483 30.202 1.00 15.24 ATOM 522 HH11 ARG 31 9.371 -27.949 29.353 1.00 22.42 ATOM 523 HH12 ARG 31 10.268 -27.908 30.819 1.00 13.24 ATOM 524 NH2 ARG 31 9.398 -25.735 31.675 1.00 55.54 ATOM 525 HH21 ARG 31 8.989 -24.857 31.932 1.00 2.41 ATOM 526 HH22 ARG 31 10.066 -26.168 32.284 1.00 4.23 ATOM 527 C ARG 31 6.440 -28.611 24.959 1.00 73.01 ATOM 528 O ARG 31 6.314 -29.832 25.042 1.00 31.02 ATOM 529 N GLY 32 6.757 -27.992 23.826 1.00 72.24 ATOM 530 HN GLY 32 6.863 -27.014 23.813 1.00 36.81 ATOM 531 CA GLY 32 6.975 -28.746 22.605 1.00 54.23 ATOM 532 HA1 GLY 32 7.131 -29.795 22.824 1.00 36.81 ATOM 533 HA2 GLY 32 7.864 -28.364 22.126 1.00 25.33 ATOM 534 C GLY 32 5.820 -28.619 21.631 1.00 35.13 ATOM 535 O GLY 32 5.531 -29.548 20.876 1.00 45.44 ATOM 536 N ILE 33 5.156 -27.468 21.650 1.00 33.31 ATOM 537 HN ILE 33 5.437 -26.752 22.261 1.00 36.81 ATOM 538 CA ILE 33 4.025 -27.224 20.763 1.00 63.53 ATOM 539 HA ILE 33 3.345 -28.068 20.853 1.00 51.25 ATOM 540 CB ILE 33 3.262 -25.947 21.161 1.00 64.14 ATOM 541 HB ILE 33 3.059 -25.982 22.208 1.00 4.12 ATOM 542 CG1 ILE 33 1.946 -25.852 20.387 1.00 13.53 ATOM 543 HG11 ILE 33 1.343 -26.714 20.610 1.00 36.81 ATOM 544 HG12 ILE 33 2.141 -25.816 19.327 1.00 34.13 ATOM 545 CG2 ILE 33 4.121 -24.717 20.909 1.00 45.02 ATOM 546 HG21 ILE 33 3.642 -23.851 21.323 1.00 42.11 ATOM 547 HG22 ILE 33 4.256 -24.562 19.848 1.00 11.40 ATOM 548 HG23 ILE 33 5.088 -24.839 21.377 1.00 5.24 ATOM 549 CD1 ILE 33 1.129 -24.626 20.734 1.00 60.33 ATOM 550 HD11 ILE 33 1.607 -23.746 20.331 1.00 21.44 ATOM 551 HD12 ILE 33 1.042 -24.532 21.808 1.00 53.05 ATOM 552 HD13 ILE 33 0.152 -24.732 20.305 1.00 54.34 ATOM 553 C ILE 33 4.481 -27.100 19.313 1.00 45.21 ATOM 554 O ILE 33 5.539 -26.538 19.031 1.00 71.14 ATOM 555 N ASN 34 3.675 -27.626 18.397 1.00 31.52 ATOM 556 HN ASN 34 2.837 -28.062 18.675 1.00 36.81 ATOM 557 CA ASN 34 3.995 -27.573 16.975 1.00 31.13 ATOM 558 HA ASN 34 4.954 -27.077 16.851 1.00 35.20 ATOM 559 CB ASN 34 4.095 -28.988 16.401 1.00 45.55 ATOM 560 HB1 ASN 34 3.165 -29.279 15.952 1.00 36.81 ATOM 561 HB2 ASN 34 4.326 -29.681 17.199 1.00 1.43 ATOM 562 CG ASN 34 5.189 -29.111 15.357 1.00 72.11 ATOM 563 OD1 ASN 34 6.376 -29.053 15.676 1.00 24.12 ATOM 564 ND2 ASN 34 4.792 -29.282 14.101 1.00 35.34 ATOM 565 HD21 ASN 34 3.831 -29.325 13.903 1.00 13.20 ATOM 566 HD22 ASN 34 5.485 -29.360 13.412 1.00 55.24 ATOM 567 C ASN 34 2.943 -26.775 16.211 1.00 44.14 ATOM 568 O ASN 34 1.888 -27.300 15.852 1.00 24.24 ATOM 569 N LEU 35 3.238 -25.504 15.963 1.00 3.52 ATOM 570 HN LEU 35 4.105 -25.141 16.265 1.00 36.81 ATOM 571 CA LEU 35 2.319 -24.632 15.240 1.00 50.30 ATOM 572 HA LEU 35 1.327 -24.805 15.609 1.00 40.24 ATOM 573 CB LEU 35 2.670 -23.165 15.494 1.00 10.41 ATOM 574 HB1 LEU 35 1.961 -22.541 14.962 1.00 36.81 ATOM 575 HB2 LEU 35 3.650 -23.002 15.067 1.00 42.44 ATOM 576 CG LEU 35 2.717 -22.730 16.959 1.00 10.23 ATOM 577 HG LEU 35 3.028 -23.560 17.579 1.00 64.04 ATOM 578 CD1 LEU 35 3.731 -21.613 17.152 1.00 23.35 ATOM 579 HD11 LEU 35 3.950 -21.514 18.205 1.00 54.33 ATOM 580 HD12 LEU 35 3.316 -20.687 16.792 1.00 63.33 ATOM 581 HD13 LEU 35 4.646 -21.835 16.617 1.00 53.44 ATOM 582 CD2 LEU 35 1.339 -22.288 17.429 1.00 53.10 ATOM 583 HD21 LEU 35 1.007 -21.442 16.843 1.00 24.32 ATOM 584 HD22 LEU 35 1.384 -22.007 18.472 1.00 51.32 ATOM 585 HD23 LEU 35 0.638 -23.103 17.311 1.00 11.34 ATOM 586 C LEU 35 2.356 -24.923 13.743 1.00 33.33 ATOM 587 O LEU 35 1.368 -24.722 13.037 1.00 14.21 ATOM 588 N ARG 36 3.501 -25.401 13.267 1.00 52.44 ATOM 589 HN ARG 36 4.270 -25.523 13.871 1.00 36.81 ATOM 590 CA ARG 36 3.666 -25.721 11.854 1.00 71.20 ATOM 591 HA ARG 36 3.587 -24.801 11.292 1.00 2.25 ATOM 592 CB ARG 36 5.044 -26.337 11.606 1.00 3.25 ATOM 593 HB1 ARG 36 5.118 -27.255 12.169 1.00 36.81 ATOM 594 HB2 ARG 36 5.792 -25.644 11.970 1.00 32.23 ATOM 595 CG ARG 36 5.321 -26.642 10.143 1.00 22.15 ATOM 596 HG1 ARG 36 4.875 -25.873 9.524 1.00 36.81 ATOM 597 HG2 ARG 36 4.878 -27.597 9.900 1.00 2.04 ATOM 598 CD ARG 36 6.814 -26.688 9.857 1.00 51.12 ATOM 599 HD1 ARG 36 7.377 -26.654 10.783 1.00 36.81 ATOM 600 HD2 ARG 36 7.070 -25.825 9.260 1.00 1.54 ATOM 601 NE ARG 36 7.192 -27.888 9.116 1.00 24.41 ATOM 602 HE ARG 36 7.458 -27.773 8.177 1.00 42.20 ATOM 603 CZ ARG 36 7.193 -29.108 9.643 1.00 1.45 ATOM 604 NH1 ARG 36 6.837 -29.287 10.908 1.00 51.21 ATOM 605 HH11 ARG 36 6.578 -28.535 11.490 1.00 3.31 ATOM 606 HH12 ARG 36 6.829 -30.214 11.289 1.00 21.12 ATOM 607 NH2 ARG 36 7.550 -30.151 8.905 1.00 3.23 ATOM 608 HH21 ARG 36 7.820 -30.022 7.949 1.00 43.43 ATOM 609 HH22 ARG 36 7.552 -31.072 9.301 1.00 13.30 ATOM 610 C ARG 36 2.577 -26.680 11.383 1.00 34.53 ATOM 611 O ARG 36 2.049 -26.545 10.279 1.00 11.42 ATOM 612 N LYS 37 2.245 -27.651 12.228 1.00 52.01 ATOM 613 HN LYS 37 2.696 -27.710 13.101 1.00 36.81 ATOM 614 CA LYS 37 1.218 -28.633 11.900 1.00 23.34 ATOM 615 HA LYS 37 1.404 -29.001 10.899 1.00 24.04 ATOM 616 CB LYS 37 1.283 -29.813 12.874 1.00 53.53 ATOM 617 HB1 LYS 37 1.263 -29.434 13.887 1.00 36.81 ATOM 618 HB2 LYS 37 2.219 -30.331 12.717 1.00 54.25 ATOM 619 CG LYS 37 0.156 -30.815 12.690 1.00 44.10 ATOM 620 HG1 LYS 37 0.536 -31.805 12.906 1.00 36.81 ATOM 621 HG2 LYS 37 -0.188 -30.788 11.663 1.00 12.25 ATOM 622 CD LYS 37 -1.018 -30.507 13.603 1.00 34.32 ATOM 623 HD1 LYS 37 -1.924 -30.764 13.085 1.00 36.81 ATOM 624 HD2 LYS 37 -1.040 -29.460 13.860 1.00 63.54 ATOM 625 CE LYS 37 -0.948 -31.311 14.892 1.00 21.53 ATOM 626 HE1 LYS 37 -1.419 -30.743 15.680 1.00 36.81 ATOM 627 HE2 LYS 37 0.085 -31.494 15.150 1.00 71.33 ATOM 628 NZ LYS 37 -1.640 -32.624 14.766 1.00 51.12 ATOM 629 HZ1 LYS 37 -1.200 -33.194 14.014 1.00 72.54 ATOM 630 HZ2 LYS 37 -2.646 -32.483 14.537 1.00 10.24 ATOM 631 HZ3 LYS 37 -1.574 -33.147 15.663 1.00 13.11 ATOM 632 C LYS 37 -0.170 -28.003 11.940 1.00 72.12 ATOM 633 O LYS 37 -1.082 -28.445 11.240 1.00 12.51 ATOM 634 N ILE 38 -0.323 -26.969 12.761 1.00 64.45 ATOM 635 HN ILE 38 0.437 -26.661 13.285 1.00 36.81 ATOM 636 CA ILE 38 -1.599 -26.278 12.888 1.00 13.32 ATOM 637 HA ILE 38 -2.357 -27.012 13.136 1.00 74.02 ATOM 638 CB ILE 38 -1.557 -25.220 14.007 1.00 51.35 ATOM 639 HB ILE 38 -0.877 -24.434 13.719 1.00 2.11 ATOM 640 CG1 ILE 38 -1.066 -25.846 15.313 1.00 22.41 ATOM 641 HG11 ILE 38 -1.063 -25.099 16.093 1.00 36.81 ATOM 642 HG12 ILE 38 -0.070 -26.210 15.180 1.00 30.43 ATOM 643 CG2 ILE 38 -2.931 -24.595 14.196 1.00 11.44 ATOM 644 HG21 ILE 38 -3.668 -25.359 14.387 1.00 33.03 ATOM 645 HG22 ILE 38 -3.208 -24.049 13.308 1.00 12.23 ATOM 646 HG23 ILE 38 -2.905 -23.907 15.027 1.00 40.34 ATOM 647 CD1 ILE 38 -1.913 -27.009 15.782 1.00 50.42 ATOM 648 HD11 ILE 38 -2.944 -26.883 15.504 1.00 10.42 ATOM 649 HD12 ILE 38 -1.850 -27.078 16.856 1.00 34.32 ATOM 650 HD13 ILE 38 -1.535 -27.921 15.346 1.00 54.43 ATOM 651 C ILE 38 -1.992 -25.602 11.579 1.00 44.32 ATOM 652 O ILE 38 -3.086 -25.819 11.060 1.00 13.31 ATOM 653 N ALA 39 -1.089 -24.783 11.049 1.00 53.44 ATOM 654 HN ALA 39 -0.228 -24.649 11.514 1.00 36.81 ATOM 655 CA ALA 39 -1.339 -24.078 9.798 1.00 52.35 ATOM 656 HA ALA 39 -2.195 -23.434 9.940 1.00 63.31 ATOM 657 CB ALA 39 -0.149 -23.200 9.440 1.00 53.53 ATOM 658 HB1 ALA 39 0.599 -23.771 8.906 1.00 3.21 ATOM 659 HB2 ALA 39 0.290 -22.801 10.345 1.00 74.13 ATOM 660 HB3 ALA 39 -0.488 -22.383 8.830 1.00 12.13 ATOM 661 C ALA 39 -1.636 -25.056 8.666 1.00 13.11 ATOM 662 O ALA 39 -2.373 -24.735 7.734 1.00 21.22 ATOM 663 N GLU 40 -1.057 -26.249 8.755 1.00 75.55 ATOM 664 HN GLU 40 -0.449 -26.444 9.505 1.00 36.81 ATOM 665 CA GLU 40 -1.260 -27.273 7.736 1.00 31.32 ATOM 666 HA GLU 40 -0.980 -26.858 6.779 1.00 5.33 ATOM 667 CB GLU 40 -0.390 -28.497 8.031 1.00 34.15 ATOM 668 HB1 GLU 40 -0.893 -29.392 7.680 1.00 36.81 ATOM 669 HB2 GLU 40 -0.240 -28.583 9.092 1.00 32.54 ATOM 670 CG GLU 40 0.976 -28.447 7.369 1.00 3.45 ATOM 671 HG1 GLU 40 1.521 -27.602 7.763 1.00 36.81 ATOM 672 HG2 GLU 40 0.844 -28.324 6.304 1.00 24.15 ATOM 673 CD GLU 40 1.788 -29.705 7.610 1.00 52.22 ATOM 674 OE1 GLU 40 3.010 -29.589 7.837 1.00 41.21 ATOM 675 OE2 GLU 40 1.199 -30.806 7.571 1.00 45.21 ATOM 676 C GLU 40 -2.728 -27.685 7.663 1.00 42.54 ATOM 677 O GLU 40 -3.191 -28.197 6.642 1.00 4.43 ATOM 678 N LEU 41 -3.455 -27.457 8.751 1.00 22.50 ATOM 679 HN LEU 41 -3.040 -27.084 9.555 1.00 36.81 ATOM 680 CA LEU 41 -4.870 -27.804 8.812 1.00 75.34 ATOM 681 HA LEU 41 -5.074 -28.587 8.091 1.00 54.34 ATOM 682 CB LEU 41 -5.228 -28.330 10.203 1.00 10.51 ATOM 683 HB1 LEU 41 -6.254 -28.678 10.182 1.00 36.81 ATOM 684 HB2 LEU 41 -5.174 -27.491 10.892 1.00 62.41 ATOM 685 CG LEU 41 -4.340 -29.450 10.746 1.00 35.01 ATOM 686 HG LEU 41 -3.311 -29.265 10.475 1.00 74.31 ATOM 687 CD1 LEU 41 -4.409 -29.497 12.265 1.00 52.04 ATOM 688 HD11 LEU 41 -3.847 -30.340 12.631 1.00 24.43 ATOM 689 HD12 LEU 41 -5.439 -29.595 12.581 1.00 65.20 ATOM 690 HD13 LEU 41 -3.995 -28.586 12.672 1.00 23.45 ATOM 691 CD2 LEU 41 -4.748 -30.790 10.150 1.00 12.42 ATOM 692 HD21 LEU 41 -4.097 -31.567 10.525 1.00 54.34 ATOM 693 HD22 LEU 41 -4.666 -30.748 9.073 1.00 11.24 ATOM 694 HD23 LEU 41 -5.770 -31.016 10.423 1.00 0.15 ATOM 695 C LEU 41 -5.741 -26.599 8.471 1.00 34.31 ATOM 696 O LEU 41 -6.892 -26.512 8.899 1.00 70.21 ATOM 697 N MET 42 -5.185 -25.673 7.697 1.00 21.31 ATOM 698 HN MET 42 -4.280 -25.781 7.356 1.00 36.81 ATOM 699 CA MET 42 -5.913 -24.475 7.296 1.00 3.22 ATOM 700 HA MET 42 -6.873 -24.448 7.797 1.00 70.51 ATOM 701 CB MET 42 -5.139 -23.221 7.708 1.00 12.24 ATOM 702 HB1 MET 42 -5.620 -22.359 7.256 1.00 36.81 ATOM 703 HB2 MET 42 -4.133 -23.288 7.334 1.00 54.53 ATOM 704 CG MET 42 -5.087 -23.006 9.212 1.00 14.33 ATOM 705 HG1 MET 42 -4.310 -23.629 9.623 1.00 36.81 ATOM 706 HG2 MET 42 -6.031 -23.295 9.635 1.00 41.51 ATOM 707 SD MET 42 -4.751 -21.291 9.657 1.00 31.15 ATOM 708 CE MET 42 -6.211 -20.898 10.618 1.00 24.34 ATOM 709 HE1 MET 42 -6.498 -21.757 11.204 1.00 61.05 ATOM 710 HE2 MET 42 -7.019 -20.627 9.954 1.00 22.24 ATOM 711 HE3 MET 42 -5.987 -20.075 11.265 1.00 74.22 ATOM 712 C MET 42 -6.156 -24.465 5.790 1.00 4.54 ATOM 713 O MET 42 -5.538 -23.706 5.043 1.00 41.11 ATOM 714 N PRO 43 -7.076 -25.326 5.333 1.00 52.05 ATOM 715 CA PRO 43 -7.422 -25.435 3.912 1.00 5.50 ATOM 716 HA PRO 43 -6.544 -25.599 3.302 1.00 70.30 ATOM 717 CB PRO 43 -8.320 -26.673 3.859 1.00 1.21 ATOM 718 HB1 PRO 43 -7.715 -27.539 3.635 1.00 36.81 ATOM 719 HB2 PRO 43 -9.087 -26.569 3.102 1.00 54.32 ATOM 720 CG PRO 43 -8.905 -26.775 5.225 1.00 23.24 ATOM 721 HG1 PRO 43 -9.136 -27.802 5.449 1.00 36.81 ATOM 722 HG2 PRO 43 -9.795 -26.166 5.290 1.00 22.23 ATOM 723 CD PRO 43 -7.851 -26.260 6.166 1.00 12.15 ATOM 724 HD1 PRO 43 -7.239 -27.081 6.491 1.00 36.81 ATOM 725 HD2 PRO 43 -8.307 -25.767 7.006 1.00 2.31 ATOM 726 C PRO 43 -8.173 -24.209 3.403 1.00 63.22 ATOM 727 O PRO 43 -9.402 -24.193 3.369 1.00 54.41 ATOM 728 N GLY 44 -7.424 -23.184 3.007 1.00 53.13 ATOM 729 HN GLY 44 -6.443 -23.243 3.053 1.00 36.81 ATOM 730 CA GLY 44 -8.038 -21.968 2.504 1.00 25.41 ATOM 731 HA1 GLY 44 -8.914 -22.216 1.916 1.00 36.81 ATOM 732 HA2 GLY 44 -7.328 -21.465 1.863 1.00 63.44 ATOM 733 C GLY 44 -8.447 -21.023 3.616 1.00 71.01 ATOM 734 O GLY 44 -9.603 -21.015 4.039 1.00 63.13 ATOM 735 N ALA 45 -7.497 -20.225 4.092 1.00 61.00 ATOM 736 HN ALA 45 -6.583 -20.284 3.726 1.00 36.81 ATOM 737 CA ALA 45 -7.765 -19.271 5.161 1.00 31.42 ATOM 738 HA ALA 45 -8.831 -19.081 5.213 1.00 61.32 ATOM 739 CB ALA 45 -7.330 -19.845 6.502 1.00 62.15 ATOM 740 HB1 ALA 45 -6.316 -19.543 6.731 1.00 44.35 ATOM 741 HB2 ALA 45 -7.369 -20.920 6.469 1.00 12.40 ATOM 742 HB3 ALA 45 -7.992 -19.486 7.276 1.00 63.44 ATOM 743 C ALA 45 -7.065 -17.942 4.900 1.00 64.30 ATOM 744 O ALA 45 -6.278 -17.818 3.962 1.00 63.55 ATOM 745 N SER 46 -7.356 -16.951 5.736 1.00 53.45 ATOM 746 HN SER 46 -8.004 -17.099 6.455 1.00 36.81 ATOM 747 CA SER 46 -6.758 -15.629 5.592 1.00 45.22 ATOM 748 HA SER 46 -5.975 -15.668 4.844 1.00 1.13 ATOM 749 CB SER 46 -7.810 -14.616 5.136 1.00 3.24 ATOM 750 HB1 SER 46 -8.566 -14.507 5.901 1.00 36.81 ATOM 751 HB2 SER 46 -8.272 -14.969 4.225 1.00 55.24 ATOM 752 OG SER 46 -7.224 -13.349 4.888 1.00 34.31 ATOM 753 HG SER 46 -6.809 -13.349 4.022 1.00 60.02 ATOM 754 C SER 46 -6.129 -15.171 6.905 1.00 73.34 ATOM 755 O SER 46 -6.402 -15.732 7.965 1.00 33.01 ATOM 756 N GLY 47 -5.285 -14.147 6.824 1.00 21.34 ATOM 757 HN GLY 47 -5.098 -13.730 5.953 1.00 36.81 ATOM 758 CA GLY 47 -4.630 -13.631 8.012 1.00 12.21 ATOM 759 HA1 GLY 47 -4.087 -12.735 7.751 1.00 36.81 ATOM 760 HA2 GLY 47 -3.932 -14.371 8.372 1.00 44.42 ATOM 761 C GLY 47 -5.612 -13.306 9.121 1.00 61.35 ATOM 762 O GLY 47 -5.297 -13.454 10.301 1.00 63.02 ATOM 763 N ALA 48 -6.805 -12.861 8.741 1.00 71.15 ATOM 764 HN ALA 48 -6.999 -12.739 7.782 1.00 36.81 ATOM 765 CA ALA 48 -7.836 -12.515 9.711 1.00 20.02 ATOM 766 HA ALA 48 -7.402 -11.850 10.448 1.00 51.53 ATOM 767 CB ALA 48 -8.976 -11.773 9.029 1.00 63.22 ATOM 768 HB1 ALA 48 -8.586 -10.897 8.532 1.00 33.45 ATOM 769 HB2 ALA 48 -9.706 -11.470 9.766 1.00 72.23 ATOM 770 HB3 ALA 48 -9.446 -12.418 8.300 1.00 40.03 ATOM 771 C ALA 48 -8.361 -13.758 10.421 1.00 74.32 ATOM 772 O ALA 48 -8.654 -13.724 11.616 1.00 62.44 ATOM 773 N GLU 49 -8.479 -14.854 9.677 1.00 51.43 ATOM 774 HN GLU 49 -8.237 -14.824 8.721 1.00 36.81 ATOM 775 CA GLU 49 -8.971 -16.107 10.236 1.00 32.12 ATOM 776 HA GLU 49 -9.868 -15.897 10.808 1.00 34.20 ATOM 777 CB GLU 49 -9.315 -17.091 9.116 1.00 23.20 ATOM 778 HB1 GLU 49 -9.410 -18.091 9.527 1.00 36.81 ATOM 779 HB2 GLU 49 -8.508 -17.091 8.405 1.00 42.15 ATOM 780 CG GLU 49 -10.599 -16.750 8.378 1.00 4.25 ATOM 781 HG1 GLU 49 -10.548 -17.180 7.388 1.00 36.81 ATOM 782 HG2 GLU 49 -10.694 -15.675 8.293 1.00 41.20 ATOM 783 CD GLU 49 -11.832 -17.293 9.073 1.00 73.44 ATOM 784 OE1 GLU 49 -12.313 -18.373 8.670 1.00 21.20 ATOM 785 OE2 GLU 49 -12.317 -16.638 10.019 1.00 22.21 ATOM 786 C GLU 49 -7.939 -16.727 11.174 1.00 41.23 ATOM 787 O GLU 49 -8.289 -17.399 12.144 1.00 72.23 ATOM 788 N VAL 50 -6.664 -16.496 10.876 1.00 10.15 ATOM 789 HN VAL 50 -6.440 -15.947 10.091 1.00 36.81 ATOM 790 CA VAL 50 -5.580 -17.030 11.692 1.00 61.21 ATOM 791 HA VAL 50 -5.713 -18.097 11.776 1.00 72.23 ATOM 792 CB VAL 50 -4.208 -16.764 11.046 1.00 45.44 ATOM 793 HB VAL 50 -4.079 -15.696 10.945 1.00 52.52 ATOM 794 CG1 VAL 50 -3.089 -17.299 11.926 1.00 32.35 ATOM 795 HG11 VAL 50 -3.326 -18.307 12.239 1.00 23.12 ATOM 796 HG12 VAL 50 -2.971 -16.675 12.795 1.00 33.34 ATOM 797 HG13 VAL 50 -2.165 -17.315 11.374 1.00 63.13 ATOM 798 CG2 VAL 50 -4.145 -17.380 9.656 1.00 4.12 ATOM 799 HG21 VAL 50 -4.923 -16.985 9.040 1.00 73.02 ATOM 800 HG22 VAL 50 -4.259 -18.446 9.729 1.00 1.43 ATOM 801 HG23 VAL 50 -3.188 -17.155 9.205 1.00 51.35 ATOM 802 C VAL 50 -5.596 -16.427 13.092 1.00 51.53 ATOM 803 O VAL 50 -5.388 -17.125 14.084 1.00 64.01 ATOM 804 N LYS 51 -5.846 -15.124 13.165 1.00 2.51 ATOM 805 HN LYS 51 -5.993 -14.610 12.336 1.00 36.81 ATOM 806 CA LYS 51 -5.892 -14.424 14.443 1.00 5.44 ATOM 807 HA LYS 51 -4.935 -14.556 14.931 1.00 75.23 ATOM 808 CB LYS 51 -6.135 -12.929 14.222 1.00 63.14 ATOM 809 HB1 LYS 51 -7.126 -12.792 13.818 1.00 36.81 ATOM 810 HB2 LYS 51 -5.416 -12.575 13.495 1.00 1.30 ATOM 811 CG LYS 51 -5.973 -12.093 15.479 1.00 25.23 ATOM 812 HG1 LYS 51 -5.573 -11.126 15.204 1.00 36.81 ATOM 813 HG2 LYS 51 -5.280 -12.583 16.151 1.00 33.33 ATOM 814 CD LYS 51 -7.296 -11.913 16.204 1.00 60.32 ATOM 815 HD1 LYS 51 -7.096 -11.814 17.260 1.00 36.81 ATOM 816 HD2 LYS 51 -7.941 -12.760 16.045 1.00 52.25 ATOM 817 CE LYS 51 -8.023 -10.663 15.734 1.00 53.14 ATOM 818 HE1 LYS 51 -7.329 -9.833 15.698 1.00 36.81 ATOM 819 HE2 LYS 51 -8.808 -10.438 16.441 1.00 2.10 ATOM 820 NZ LYS 51 -8.632 -10.848 14.387 1.00 23.41 ATOM 821 HZ1 LYS 51 -9.150 -11.752 14.334 1.00 62.10 ATOM 822 HZ2 LYS 51 -7.894 -10.837 13.656 1.00 4.32 ATOM 823 HZ3 LYS 51 -9.298 -10.073 14.193 1.00 42.45 ATOM 824 C LYS 51 -6.983 -14.999 15.340 1.00 21.32 ATOM 825 O LYS 51 -6.809 -15.110 16.553 1.00 30.10 ATOM 826 N GLY 52 -8.108 -15.366 14.734 1.00 14.04 ATOM 827 HN GLY 52 -8.214 -15.247 13.764 1.00 36.81 ATOM 828 CA GLY 52 -9.211 -15.927 15.494 1.00 64.15 ATOM 829 HA1 GLY 52 -10.052 -16.066 14.831 1.00 36.81 ATOM 830 HA2 GLY 52 -9.496 -15.235 16.276 1.00 71.13 ATOM 831 C GLY 52 -8.862 -17.262 16.122 1.00 42.15 ATOM 832 O GLY 52 -9.319 -17.578 17.220 1.00 11.10 ATOM 833 N VAL 53 -8.050 -18.049 15.422 1.00 34.24 ATOM 834 HN VAL 53 -7.718 -17.745 14.546 1.00 36.81 ATOM 835 CA VAL 53 -7.641 -19.358 15.918 1.00 50.03 ATOM 836 HA VAL 53 -8.524 -19.974 15.989 1.00 14.31 ATOM 837 CB VAL 53 -6.648 -20.037 14.955 1.00 13.14 ATOM 838 HB VAL 53 -5.770 -19.414 14.869 1.00 40.40 ATOM 839 CG1 VAL 53 -6.215 -21.389 15.502 1.00 44.44 ATOM 840 HG11 VAL 53 -5.785 -21.289 16.486 1.00 42.40 ATOM 841 HG12 VAL 53 -5.472 -21.814 14.842 1.00 14.33 ATOM 842 HG13 VAL 53 -7.063 -22.048 15.540 1.00 50.00 ATOM 843 CG2 VAL 53 -7.264 -20.184 13.572 1.00 21.11 ATOM 844 HG21 VAL 53 -6.841 -21.041 13.085 1.00 33.44 ATOM 845 HG22 VAL 53 -7.051 -19.304 12.994 1.00 4.12 ATOM 846 HG23 VAL 53 -8.337 -20.314 13.647 1.00 24.22 ATOM 847 C VAL 53 -7.001 -19.248 17.297 1.00 44.12 ATOM 848 O VAL 53 -7.415 -19.923 18.240 1.00 5.33 ATOM 849 N CYS 54 -5.990 -18.393 17.407 1.00 64.42 ATOM 850 HN CYS 54 -5.729 -17.864 16.617 1.00 36.81 ATOM 851 CA CYS 54 -5.291 -18.195 18.672 1.00 43.44 ATOM 852 HA CYS 54 -4.812 -19.127 18.939 1.00 54.33 ATOM 853 CB CYS 54 -4.219 -17.114 18.522 1.00 41.05 ATOM 854 HB1 CYS 54 -3.673 -17.022 19.451 1.00 36.81 ATOM 855 HB2 CYS 54 -4.693 -16.170 18.294 1.00 31.03 ATOM 856 SG CYS 54 -3.015 -17.445 17.213 1.00 13.33 ATOM 857 HG CYS 54 -1.866 -17.769 17.787 1.00 63.32 ATOM 858 C CYS 54 -6.267 -17.809 19.778 1.00 75.13 ATOM 859 O CYS 54 -6.230 -18.364 20.876 1.00 24.24 ATOM 860 N THR 55 -7.142 -16.853 19.481 1.00 0.42 ATOM 861 HN THR 55 -7.123 -16.440 18.585 1.00 36.81 ATOM 862 CA THR 55 -8.127 -16.390 20.451 1.00 60.33 ATOM 863 HA THR 55 -7.594 -15.988 21.304 1.00 11.44 ATOM 864 CB THR 55 -9.012 -15.274 19.864 1.00 23.20 ATOM 865 HB THR 55 -9.567 -15.672 19.024 1.00 70.23 ATOM 866 OG1 THR 55 -8.195 -14.190 19.408 1.00 62.44 ATOM 867 HG1 THR 55 -7.890 -14.368 18.515 1.00 11.41 ATOM 868 CG2 THR 55 -10.002 -14.767 20.901 1.00 33.34 ATOM 869 HG21 THR 55 -10.770 -15.508 21.069 1.00 1.33 ATOM 870 HG22 THR 55 -10.460 -13.858 20.539 1.00 64.34 ATOM 871 HG23 THR 55 -9.490 -14.560 21.832 1.00 15.22 ATOM 872 C THR 55 -9.017 -17.536 20.919 1.00 53.32 ATOM 873 O THR 55 -9.455 -17.563 22.068 1.00 13.24 ATOM 874 N GLU 56 -9.280 -18.480 20.021 1.00 53.12 ATOM 875 HN GLU 56 -8.913 -18.403 19.111 1.00 36.81 ATOM 876 CA GLU 56 -10.119 -19.628 20.344 1.00 72.02 ATOM 877 HA GLU 56 -10.994 -19.267 20.867 1.00 5.22 ATOM 878 CB GLU 56 -10.542 -20.355 19.065 1.00 5.04 ATOM 879 HB1 GLU 56 -10.707 -21.406 19.270 1.00 36.81 ATOM 880 HB2 GLU 56 -9.760 -20.258 18.340 1.00 54.44 ATOM 881 CG GLU 56 -11.809 -19.799 18.439 1.00 14.24 ATOM 882 HG1 GLU 56 -12.021 -20.352 17.536 1.00 36.81 ATOM 883 HG2 GLU 56 -11.648 -18.760 18.194 1.00 73.23 ATOM 884 CD GLU 56 -13.009 -19.900 19.362 1.00 25.11 ATOM 885 OE1 GLU 56 -13.166 -20.951 20.018 1.00 72.02 ATOM 886 OE2 GLU 56 -13.789 -18.927 19.428 1.00 32.53 ATOM 887 C GLU 56 -9.387 -20.593 21.272 1.00 11.33 ATOM 888 O GLU 56 -9.954 -21.081 22.249 1.00 32.31 ATOM 889 N ALA 57 -8.124 -20.862 20.959 1.00 31.41 ATOM 890 HN ALA 57 -7.725 -20.452 20.154 1.00 36.81 ATOM 891 CA ALA 57 -7.314 -21.767 21.765 1.00 5.10 ATOM 892 HA ALA 57 -7.730 -22.759 21.677 1.00 43.01 ATOM 893 CB ALA 57 -5.887 -21.808 21.238 1.00 22.31 ATOM 894 HB1 ALA 57 -5.392 -22.680 21.629 1.00 4.13 ATOM 895 HB2 ALA 57 -5.349 -20.918 21.539 1.00 11.33 ATOM 896 HB3 ALA 57 -5.904 -21.865 20.159 1.00 42.11 ATOM 897 C ALA 57 -7.326 -21.354 23.233 1.00 64.30 ATOM 898 O ALA 57 -7.376 -22.200 24.125 1.00 12.12 ATOM 899 N GLY 58 -7.278 -20.048 23.476 1.00 1.14 ATOM 900 HN GLY 58 -7.224 -19.405 22.734 1.00 36.81 ATOM 901 CA GLY 58 -7.283 -19.546 24.838 1.00 34.42 ATOM 902 HA1 GLY 58 -7.048 -18.492 24.818 1.00 36.81 ATOM 903 HA2 GLY 58 -6.524 -20.059 25.415 1.00 15.53 ATOM 904 C GLY 58 -8.626 -19.729 25.518 1.00 61.30 ATOM 905 O GLY 58 -8.697 -19.874 26.738 1.00 5.31 ATOM 906 N MET 59 -9.694 -19.722 24.727 1.00 2.40 ATOM 907 HN MET 59 -9.584 -19.583 23.762 1.00 36.81 ATOM 908 CA MET 59 -11.041 -19.888 25.261 1.00 42.53 ATOM 909 HA MET 59 -11.155 -19.220 26.101 1.00 42.30 ATOM 910 CB MET 59 -12.081 -19.533 24.196 1.00 33.55 ATOM 911 HB1 MET 59 -13.071 -19.647 24.618 1.00 36.81 ATOM 912 HB2 MET 59 -11.978 -20.226 23.371 1.00 63.04 ATOM 913 CG MET 59 -11.927 -18.128 23.640 1.00 41.44 ATOM 914 HG1 MET 59 -12.050 -18.167 22.568 1.00 36.81 ATOM 915 HG2 MET 59 -10.946 -17.744 23.872 1.00 65.45 ATOM 916 SD MET 59 -13.142 -16.977 24.311 1.00 21.13 ATOM 917 CE MET 59 -12.912 -17.230 26.069 1.00 31.24 ATOM 918 HE1 MET 59 -13.244 -18.222 26.338 1.00 71.35 ATOM 919 HE2 MET 59 -13.487 -16.498 26.616 1.00 11.52 ATOM 920 HE3 MET 59 -11.866 -17.122 26.314 1.00 2.21 ATOM 921 C MET 59 -11.260 -21.316 25.748 1.00 74.32 ATOM 922 O MET 59 -11.950 -21.544 26.742 1.00 23.22 ATOM 923 N TYR 60 -10.671 -22.274 25.041 1.00 21.44 ATOM 924 HN TYR 60 -10.136 -22.037 24.247 1.00 36.81 ATOM 925 CA TYR 60 -10.805 -23.681 25.401 1.00 62.24 ATOM 926 HA TYR 60 -11.853 -23.890 25.576 1.00 53.41 ATOM 927 CB TYR 60 -10.310 -24.570 24.258 1.00 31.24 ATOM 928 HB1 TYR 60 -10.298 -25.602 24.587 1.00 36.81 ATOM 929 HB2 TYR 60 -9.303 -24.275 23.997 1.00 34.51 ATOM 930 CG TYR 60 -11.174 -24.500 23.019 1.00 23.42 ATOM 931 CD1 TYR 60 -10.638 -24.116 21.796 1.00 1.22 ATOM 932 HD1 TYR 60 -9.590 -23.866 21.734 1.00 23.44 ATOM 933 CD2 TYR 60 -12.525 -24.818 23.071 1.00 12.14 ATOM 934 HD2 TYR 60 -12.961 -25.118 24.014 1.00 12.51 ATOM 935 CE1 TYR 60 -11.423 -24.050 20.661 1.00 11.14 ATOM 936 HE1 TYR 60 -10.987 -23.749 19.720 1.00 4.15 ATOM 937 CE2 TYR 60 -13.318 -24.756 21.942 1.00 64.34 ATOM 938 HE2 TYR 60 -14.366 -25.008 22.004 1.00 12.43 ATOM 939 CZ TYR 60 -12.762 -24.372 20.739 1.00 11.51 ATOM 940 OH TYR 60 -13.548 -24.307 19.612 1.00 75.54 ATOM 941 HH TYR 60 -14.128 -23.541 19.662 1.00 53.25 ATOM 942 C TYR 60 -10.029 -23.994 26.676 1.00 5.02 ATOM 943 O TYR 60 -10.439 -24.835 27.476 1.00 50.25 ATOM 944 N ALA 61 -8.904 -23.310 26.860 1.00 40.25 ATOM 945 HN ALA 61 -8.614 -22.655 26.183 1.00 36.81 ATOM 946 CA ALA 61 -8.071 -23.511 28.038 1.00 24.43 ATOM 947 HA ALA 61 -7.932 -24.576 28.182 1.00 62.12 ATOM 948 CB ALA 61 -6.699 -22.889 27.827 1.00 5.33 ATOM 949 HB1 ALA 61 -6.075 -23.073 28.689 1.00 5.20 ATOM 950 HB2 ALA 61 -6.803 -21.823 27.679 1.00 31.54 ATOM 951 HB3 ALA 61 -6.239 -23.327 26.953 1.00 55.54 ATOM 952 C ALA 61 -8.732 -22.931 29.284 1.00 45.53 ATOM 953 O ALA 61 -8.753 -23.564 30.340 1.00 13.42 ATOM 954 N LEU 62 -9.269 -21.723 29.154 1.00 42.43 ATOM 955 HN LEU 62 -9.211 -21.258 28.285 1.00 36.81 ATOM 956 CA LEU 62 -9.930 -21.055 30.270 1.00 74.43 ATOM 957 HA LEU 62 -9.194 -20.894 31.047 1.00 72.25 ATOM 958 CB LEU 62 -10.492 -19.705 29.822 1.00 72.04 ATOM 959 HB1 LEU 62 -11.319 -19.433 30.472 1.00 36.81 ATOM 960 HB2 LEU 62 -10.891 -19.835 28.822 1.00 74.44 ATOM 961 CG LEU 62 -9.502 -18.540 29.801 1.00 15.43 ATOM 962 HG LEU 62 -8.559 -18.878 29.394 1.00 65.54 ATOM 963 CD1 LEU 62 -10.016 -17.419 28.911 1.00 41.30 ATOM 964 HD11 LEU 62 -10.956 -17.048 29.296 1.00 21.43 ATOM 965 HD12 LEU 62 -10.162 -17.792 27.907 1.00 51.22 ATOM 966 HD13 LEU 62 -9.295 -16.614 28.889 1.00 32.12 ATOM 967 CD2 LEU 62 -9.251 -18.029 31.213 1.00 64.33 ATOM 968 HD21 LEU 62 -10.177 -17.670 31.642 1.00 5.34 ATOM 969 HD22 LEU 62 -8.532 -17.222 31.184 1.00 75.12 ATOM 970 HD23 LEU 62 -8.860 -18.831 31.824 1.00 25.41 ATOM 971 C LEU 62 -11.050 -21.922 30.836 1.00 73.30 ATOM 972 O LEU 62 -11.097 -22.187 32.037 1.00 1.34 ATOM 973 N ARG 63 -11.949 -22.363 29.962 1.00 34.53 ATOM 974 HN ARG 63 -11.857 -22.117 29.010 1.00 36.81 ATOM 975 CA ARG 63 -13.069 -23.202 30.375 1.00 4.32 ATOM 976 HA ARG 63 -13.667 -22.640 31.079 1.00 51.41 ATOM 977 CB ARG 63 -13.936 -23.562 29.168 1.00 61.43 ATOM 978 HB1 ARG 63 -14.232 -22.650 28.670 1.00 36.81 ATOM 979 HB2 ARG 63 -14.824 -24.070 29.523 1.00 63.15 ATOM 980 CG ARG 63 -13.232 -24.451 28.156 1.00 64.23 ATOM 981 HG1 ARG 63 -12.699 -25.244 28.647 1.00 36.81 ATOM 982 HG2 ARG 63 -12.549 -23.841 27.603 1.00 50.02 ATOM 983 CD ARG 63 -14.217 -25.071 27.178 1.00 73.51 ATOM 984 HD1 ARG 63 -15.026 -25.536 27.728 1.00 36.81 ATOM 985 HD2 ARG 63 -13.688 -25.828 26.615 1.00 4.12 ATOM 986 NE ARG 63 -14.769 -24.083 26.255 1.00 0.35 ATOM 987 HE ARG 63 -14.664 -23.130 26.483 1.00 52.24 ATOM 988 CZ ARG 63 -15.406 -24.399 25.134 1.00 70.24 ATOM 989 NH1 ARG 63 -15.571 -25.671 24.797 1.00 12.03 ATOM 990 HH11 ARG 63 -15.229 -26.412 25.369 1.00 71.04 ATOM 991 HH12 ARG 63 -16.051 -25.898 23.947 1.00 53.44 ATOM 992 NH2 ARG 63 -15.880 -23.442 24.346 1.00 61.42 ATOM 993 HH21 ARG 63 -15.759 -22.479 24.594 1.00 15.51 ATOM 994 HH22 ARG 63 -16.361 -23.678 23.499 1.00 61.52 ATOM 995 C ARG 63 -12.573 -24.474 31.057 1.00 43.42 ATOM 996 O ARG 63 -13.282 -25.073 31.864 1.00 72.11 ATOM 997 N GLU 64 -11.351 -24.879 30.725 1.00 3.12 ATOM 998 HN GLU 64 -10.842 -24.403 30.040 1.00 36.81 ATOM 999 CA GLU 64 -10.762 -26.080 31.305 1.00 65.22 ATOM 1000 HA GLU 64 -11.553 -26.716 31.687 1.00 73.04 ATOM 1001 CB GLU 64 -9.986 -26.859 30.240 1.00 33.43 ATOM 1002 HB1 GLU 64 -9.401 -27.634 30.724 1.00 36.81 ATOM 1003 HB2 GLU 64 -9.316 -26.180 29.733 1.00 74.04 ATOM 1004 CG GLU 64 -10.876 -27.515 29.197 1.00 1.24 ATOM 1005 HG1 GLU 64 -11.185 -26.777 28.483 1.00 36.81 ATOM 1006 HG2 GLU 64 -11.750 -27.928 29.684 1.00 53.42 ATOM 1007 CD GLU 64 -10.177 -28.639 28.458 1.00 60.03 ATOM 1008 OE1 GLU 64 -8.937 -28.579 28.324 1.00 24.55 ATOM 1009 OE2 GLU 64 -10.870 -29.578 28.012 1.00 4.42 ATOM 1010 C GLU 64 -9.837 -25.727 32.466 1.00 1.22 ATOM 1011 O GLU 64 -8.999 -26.532 32.874 1.00 53.34 ATOM 1012 N ARG 65 -9.995 -24.517 32.994 1.00 33.40 ATOM 1013 HN ARG 65 -10.675 -23.909 32.663 1.00 36.81 ATOM 1014 CA ARG 65 -9.174 -24.056 34.107 1.00 73.01 ATOM 1015 HA ARG 65 -9.373 -23.005 34.252 1.00 1.24 ATOM 1016 CB ARG 65 -9.539 -24.813 35.385 1.00 2.25 ATOM 1017 HB1 ARG 65 -9.124 -24.275 36.225 1.00 36.81 ATOM 1018 HB2 ARG 65 -9.094 -25.802 35.361 1.00 33.43 ATOM 1019 CG ARG 65 -11.036 -24.941 35.611 1.00 34.51 ATOM 1020 HG1 ARG 65 -11.556 -24.133 35.111 1.00 36.81 ATOM 1021 HG2 ARG 65 -11.226 -24.881 36.673 1.00 14.32 ATOM 1022 CD ARG 65 -11.566 -26.268 35.089 1.00 15.31 ATOM 1023 HD1 ARG 65 -10.791 -27.024 35.098 1.00 36.81 ATOM 1024 HD2 ARG 65 -11.896 -26.117 34.074 1.00 72.14 ATOM 1025 NE ARG 65 -12.715 -26.739 35.858 1.00 20.03 ATOM 1026 HE ARG 65 -13.607 -26.574 35.482 1.00 20.23 ATOM 1027 CZ ARG 65 -12.611 -27.370 37.023 1.00 42.52 ATOM 1028 NH1 ARG 65 -11.417 -27.603 37.550 1.00 43.42 ATOM 1029 HH11 ARG 65 -10.578 -27.313 37.096 1.00 13.31 ATOM 1030 HH12 ARG 65 -11.350 -28.083 38.428 1.00 11.54 ATOM 1031 NH2 ARG 65 -13.703 -27.768 37.663 1.00 3.20 ATOM 1032 HH21 ARG 65 -14.608 -27.594 37.270 1.00 44.30 ATOM 1033 HH22 ARG 65 -13.627 -28.244 38.542 1.00 33.31 ATOM 1034 C ARG 65 -7.691 -24.239 33.800 1.00 3.34 ATOM 1035 O ARG 65 -6.950 -24.821 34.593 1.00 10.41 ATOM 1036 N ARG 66 -7.264 -23.738 32.645 1.00 35.43 ATOM 1037 HN ARG 66 -7.900 -23.286 32.043 1.00 36.81 ATOM 1038 CA ARG 66 -5.870 -23.848 32.233 1.00 13.13 ATOM 1039 HA ARG 66 -5.283 -24.230 33.063 1.00 63.52 ATOM 1040 CB ARG 66 -5.738 -24.820 31.060 1.00 70.33 ATOM 1041 HB1 ARG 66 -4.718 -24.788 30.691 1.00 36.81 ATOM 1042 HB2 ARG 66 -6.406 -24.505 30.274 1.00 21.05 ATOM 1043 CG ARG 66 -6.077 -26.258 31.419 1.00 50.24 ATOM 1044 HG1 ARG 66 -7.148 -26.361 31.434 1.00 36.81 ATOM 1045 HG2 ARG 66 -5.674 -26.494 32.395 1.00 32.34 ATOM 1046 CD ARG 66 -5.501 -27.235 30.406 1.00 31.42 ATOM 1047 HD1 ARG 66 -4.504 -27.509 30.722 1.00 36.81 ATOM 1048 HD2 ARG 66 -5.452 -26.764 29.431 1.00 1.02 ATOM 1049 NE ARG 66 -6.310 -28.446 30.292 1.00 15.34 ATOM 1050 HE ARG 66 -7.137 -28.501 30.826 1.00 2.14 ATOM 1051 CZ ARG 66 -5.993 -29.471 29.510 1.00 21.32 ATOM 1052 NH1 ARG 66 -4.889 -29.433 28.777 1.00 23.32 ATOM 1053 HH11 ARG 66 -4.279 -28.642 28.797 1.00 20.14 ATOM 1054 HH12 ARG 66 -4.657 -30.211 28.189 1.00 72.41 ATOM 1055 NH2 ARG 66 -6.780 -30.538 29.460 1.00 33.15 ATOM 1056 HH21 ARG 66 -7.616 -30.574 30.012 1.00 54.52 ATOM 1057 HH22 ARG 66 -6.542 -31.313 28.870 1.00 64.25 ATOM 1058 C ARG 66 -5.310 -22.483 31.843 1.00 60.42 ATOM 1059 O ARG 66 -6.000 -21.670 31.229 1.00 52.41 ATOM 1060 N VAL 67 -4.054 -22.240 32.204 1.00 40.22 ATOM 1061 HN VAL 67 -3.547 -22.928 32.696 1.00 36.81 ATOM 1062 CA VAL 67 -3.400 -20.975 31.891 1.00 14.40 ATOM 1063 HA VAL 67 -4.158 -20.220 31.702 1.00 11.20 ATOM 1064 CB VAL 67 -2.532 -20.486 33.066 1.00 52.13 ATOM 1065 HB VAL 67 -1.772 -21.230 33.265 1.00 20.14 ATOM 1066 CG1 VAL 67 -1.837 -19.181 32.709 1.00 13.44 ATOM 1067 HG11 VAL 67 -1.490 -18.688 33.610 1.00 1.14 ATOM 1068 HG12 VAL 67 -2.516 -18.522 32.184 1.00 35.41 ATOM 1069 HG13 VAL 67 -0.992 -19.395 32.089 1.00 31.34 ATOM 1070 CG2 VAL 67 -3.377 -20.325 34.321 1.00 44.33 ATOM 1071 HG21 VAL 67 -3.822 -21.274 34.584 1.00 10.02 ATOM 1072 HG22 VAL 67 -4.158 -19.599 34.144 1.00 70.12 ATOM 1073 HG23 VAL 67 -2.753 -19.988 35.138 1.00 54.42 ATOM 1074 C VAL 67 -2.529 -21.099 30.647 1.00 63.35 ATOM 1075 O VAL 67 -2.291 -20.118 29.941 1.00 24.32 ATOM 1076 N HIS 68 -2.055 -22.313 30.382 1.00 41.33 ATOM 1077 HN HIS 68 -2.265 -23.068 30.974 1.00 36.81 ATOM 1078 CA HIS 68 -1.210 -22.567 29.220 1.00 5.35 ATOM 1079 HA HIS 68 -0.848 -21.630 28.845 1.00 13.22 ATOM 1080 CB HIS 68 -0.014 -23.435 29.614 1.00 42.42 ATOM 1081 HB1 HIS 68 0.391 -23.922 28.733 1.00 36.81 ATOM 1082 HB2 HIS 68 -0.337 -24.192 30.314 1.00 55.55 ATOM 1083 CG HIS 68 1.099 -22.665 30.256 1.00 21.34 ATOM 1084 ND1 HIS 68 0.890 -21.705 31.223 1.00 14.23 ATOM 1085 HD1 HIS 68 0.024 -21.437 31.588 1.00 11.34 ATOM 1086 CD2 HIS 68 2.438 -22.721 30.067 1.00 42.51 ATOM 1087 HD2 HIS 68 2.962 -23.369 29.378 1.00 73.54 ATOM 1088 CE1 HIS 68 2.052 -21.201 31.599 1.00 34.24 ATOM 1089 HE1 HIS 68 2.196 -20.431 32.342 1.00 43.21 ATOM 1090 NE2 HIS 68 3.007 -21.801 30.913 1.00 5.10 ATOM 1091 HE2 HIS 68 3.955 -21.555 30.932 1.00 36.81 ATOM 1092 C HIS 68 -2.003 -23.247 28.109 1.00 12.20 ATOM 1093 O HIS 68 -2.836 -24.116 28.369 1.00 43.31 ATOM 1094 N VAL 69 -1.740 -22.845 26.869 1.00 12.05 ATOM 1095 HN VAL 69 -1.053 -22.153 26.717 1.00 36.81 ATOM 1096 CA VAL 69 -2.429 -23.416 25.718 1.00 14.34 ATOM 1097 HA VAL 69 -3.400 -23.785 26.044 1.00 61.53 ATOM 1098 CB VAL 69 -2.674 -22.356 24.628 1.00 2.51 ATOM 1099 HB VAL 69 -1.722 -22.003 24.267 1.00 74.21 ATOM 1100 CG1 VAL 69 -3.421 -22.963 23.451 1.00 54.42 ATOM 1101 HG11 VAL 69 -2.859 -23.776 23.020 1.00 61.02 ATOM 1102 HG12 VAL 69 -3.569 -22.204 22.696 1.00 43.34 ATOM 1103 HG13 VAL 69 -4.380 -23.322 23.788 1.00 40.10 ATOM 1104 CG2 VAL 69 -3.436 -21.170 25.200 1.00 1.30 ATOM 1105 HG21 VAL 69 -4.388 -21.502 25.590 1.00 30.13 ATOM 1106 HG22 VAL 69 -3.604 -20.437 24.422 1.00 41.35 ATOM 1107 HG23 VAL 69 -2.862 -20.716 25.994 1.00 21.14 ATOM 1108 C VAL 69 -1.635 -24.571 25.120 1.00 52.05 ATOM 1109 O VAL 69 -0.414 -24.493 24.978 1.00 53.12 ATOM 1110 N THR 70 -2.336 -25.645 24.768 1.00 11.41 ATOM 1111 HN THR 70 -3.311 -25.654 24.896 1.00 36.81 ATOM 1112 CA THR 70 -1.697 -26.817 24.185 1.00 71.42 ATOM 1113 HA THR 70 -0.629 -26.756 24.340 1.00 61.11 ATOM 1114 CB THR 70 -2.192 -28.116 24.849 1.00 10.24 ATOM 1115 HB THR 70 -1.573 -28.936 24.511 1.00 31.34 ATOM 1116 OG1 THR 70 -3.550 -28.371 24.475 1.00 73.02 ATOM 1117 HG1 THR 70 -4.149 -27.805 24.968 1.00 33.03 ATOM 1118 CG2 THR 70 -2.087 -28.022 26.364 1.00 34.31 ATOM 1119 HG21 THR 70 -1.067 -27.799 26.647 1.00 13.04 ATOM 1120 HG22 THR 70 -2.380 -28.965 26.801 1.00 32.14 ATOM 1121 HG23 THR 70 -2.741 -27.243 26.726 1.00 11.44 ATOM 1122 C THR 70 -1.957 -26.896 22.685 1.00 75.41 ATOM 1123 O THR 70 -2.874 -26.257 22.171 1.00 15.50 ATOM 1124 N GLN 71 -1.146 -27.686 21.989 1.00 44.42 ATOM 1125 HN GLN 71 -0.426 -28.173 22.459 1.00 36.81 ATOM 1126 CA GLN 71 -1.289 -27.847 20.547 1.00 75.51 ATOM 1127 HA GLN 71 -1.045 -26.904 20.081 1.00 72.33 ATOM 1128 CB GLN 71 -0.325 -28.918 20.034 1.00 61.22 ATOM 1129 HB1 GLN 71 -0.440 -29.805 20.640 1.00 36.81 ATOM 1130 HB2 GLN 71 0.685 -28.558 20.134 1.00 74.33 ATOM 1131 CG GLN 71 -0.561 -29.305 18.583 1.00 74.21 ATOM 1132 HG1 GLN 71 -0.595 -28.406 17.986 1.00 36.81 ATOM 1133 HG2 GLN 71 -1.504 -29.826 18.505 1.00 43.14 ATOM 1134 CD GLN 71 0.520 -30.217 18.038 1.00 21.45 ATOM 1135 OE1 GLN 71 0.944 -31.163 18.704 1.00 74.13 ATOM 1136 NE2 GLN 71 0.974 -29.938 16.822 1.00 34.01 ATOM 1137 HE21 GLN 71 0.607 -29.165 16.335 1.00 3.13 ATOM 1138 HE22 GLN 71 1.649 -30.538 16.445 1.00 1.41 ATOM 1139 C GLN 71 -2.722 -28.220 20.181 1.00 15.12 ATOM 1140 O GLN 71 -3.297 -27.667 19.244 1.00 0.01 ATOM 1141 N GLU 72 -3.293 -29.161 20.927 1.00 10.23 ATOM 1142 HN GLU 72 -2.778 -29.580 21.657 1.00 36.81 ATOM 1143 CA GLU 72 -4.659 -29.607 20.680 1.00 61.33 ATOM 1144 HA GLU 72 -4.673 -30.116 19.736 1.00 51.35 ATOM 1145 CB GLU 72 -5.106 -30.582 21.771 1.00 71.32 ATOM 1146 HB1 GLU 72 -6.188 -30.648 21.774 1.00 36.81 ATOM 1147 HB2 GLU 72 -4.781 -30.195 22.727 1.00 42.25 ATOM 1148 CG GLU 72 -4.560 -31.989 21.591 1.00 0.23 ATOM 1149 HG1 GLU 72 -3.537 -31.934 21.240 1.00 36.81 ATOM 1150 HG2 GLU 72 -5.162 -32.503 20.857 1.00 73.31 ATOM 1151 CD GLU 72 -4.579 -32.791 22.878 1.00 11.31 ATOM 1152 OE1 GLU 72 -4.251 -32.218 23.938 1.00 2.23 ATOM 1153 OE2 GLU 72 -4.922 -33.990 22.825 1.00 23.34 ATOM 1154 C GLU 72 -5.617 -28.421 20.619 1.00 44.21 ATOM 1155 O GLU 72 -6.585 -28.430 19.859 1.00 15.34 ATOM 1156 N ASP 73 -5.338 -27.402 21.425 1.00 53.25 ATOM 1157 HN ASP 73 -4.564 -27.456 22.029 1.00 36.81 ATOM 1158 CA ASP 73 -6.174 -26.207 21.463 1.00 62.20 ATOM 1159 HA ASP 73 -7.204 -26.516 21.591 1.00 74.04 ATOM 1160 CB ASP 73 -5.779 -25.320 22.645 1.00 63.42 ATOM 1161 HB1 ASP 73 -6.438 -24.463 22.687 1.00 36.81 ATOM 1162 HB2 ASP 73 -4.773 -24.986 22.506 1.00 73.54 ATOM 1163 CG ASP 73 -5.864 -26.051 23.971 1.00 55.54 ATOM 1164 OD1 ASP 73 -5.329 -25.528 24.971 1.00 74.43 ATOM 1165 OD2 ASP 73 -6.466 -27.145 24.008 1.00 1.41 ATOM 1166 C ASP 73 -6.059 -25.421 20.160 1.00 23.45 ATOM 1167 O ASP 73 -7.030 -24.824 19.696 1.00 62.13 ATOM 1168 N PHE 74 -4.865 -25.425 19.577 1.00 61.34 ATOM 1169 HN PHE 74 -4.118 -25.900 20.003 1.00 36.81 ATOM 1170 CA PHE 74 -4.622 -24.711 18.329 1.00 61.24 ATOM 1171 HA PHE 74 -5.028 -23.710 18.426 1.00 44.50 ATOM 1172 CB PHE 74 -3.120 -24.623 18.051 1.00 61.12 ATOM 1173 HB1 PHE 74 -2.949 -24.638 16.985 1.00 36.81 ATOM 1174 HB2 PHE 74 -2.620 -25.478 18.483 1.00 60.20 ATOM 1175 CG PHE 74 -2.480 -23.381 18.601 1.00 13.53 ATOM 1176 CD1 PHE 74 -2.011 -23.346 19.905 1.00 73.13 ATOM 1177 HD1 PHE 74 -2.106 -24.223 20.531 1.00 41.33 ATOM 1178 CD2 PHE 74 -2.348 -22.247 17.815 1.00 24.33 ATOM 1179 HD2 PHE 74 -2.710 -22.258 16.796 1.00 60.11 ATOM 1180 CE1 PHE 74 -1.423 -22.204 20.414 1.00 52.32 ATOM 1181 HE1 PHE 74 -1.074 -22.193 21.430 1.00 12.30 ATOM 1182 CE2 PHE 74 -1.760 -21.102 18.319 1.00 61.01 ATOM 1183 HE2 PHE 74 -1.662 -20.225 17.697 1.00 12.00 ATOM 1184 CZ PHE 74 -1.296 -21.081 19.620 1.00 52.34 ATOM 1185 HZ PHE 74 -0.837 -20.187 20.016 1.00 14.02 ATOM 1186 C PHE 74 -5.327 -25.398 17.163 1.00 62.34 ATOM 1187 O PHE 74 -6.115 -24.779 16.449 1.00 42.11 ATOM 1188 N GLU 75 -5.036 -26.682 16.977 1.00 62.14 ATOM 1189 HN GLU 75 -4.375 -27.107 17.570 1.00 36.81 ATOM 1190 CA GLU 75 -5.641 -27.453 15.897 1.00 45.14 ATOM 1191 HA GLU 75 -5.375 -26.984 14.959 1.00 54.10 ATOM 1192 CB GLU 75 -5.103 -28.886 15.900 1.00 53.41 ATOM 1193 HB1 GLU 75 -4.056 -28.859 15.636 1.00 36.81 ATOM 1194 HB2 GLU 75 -5.634 -29.465 15.152 1.00 52.42 ATOM 1195 CG GLU 75 -5.232 -29.581 17.245 1.00 40.21 ATOM 1196 HG1 GLU 75 -6.210 -29.405 17.656 1.00 36.81 ATOM 1197 HG2 GLU 75 -4.489 -29.186 17.905 1.00 74.31 ATOM 1198 CD GLU 75 -5.032 -31.081 17.148 1.00 54.22 ATOM 1199 OE1 GLU 75 -5.986 -31.781 16.748 1.00 13.12 ATOM 1200 OE2 GLU 75 -3.923 -31.555 17.471 1.00 13.53 ATOM 1201 C GLU 75 -7.161 -27.468 16.024 1.00 11.11 ATOM 1202 O GLU 75 -7.878 -27.510 15.025 1.00 42.24 ATOM 1203 N MET 76 -7.646 -27.434 17.261 1.00 24.02 ATOM 1204 HN MET 76 -7.027 -27.412 18.027 1.00 36.81 ATOM 1205 CA MET 76 -9.081 -27.443 17.520 1.00 63.11 ATOM 1206 HA MET 76 -9.508 -28.273 16.976 1.00 64.21 ATOM 1207 CB MET 76 -9.350 -27.605 19.017 1.00 24.13 ATOM 1208 HB1 MET 76 -10.231 -27.044 19.293 1.00 36.81 ATOM 1209 HB2 MET 76 -8.520 -27.199 19.572 1.00 32.30 ATOM 1210 CG MET 76 -9.548 -29.050 19.446 1.00 4.13 ATOM 1211 HG1 MET 76 -9.589 -29.086 20.525 1.00 36.81 ATOM 1212 HG2 MET 76 -8.709 -29.638 19.101 1.00 5.11 ATOM 1213 SD MET 76 -11.065 -29.768 18.789 1.00 13.00 ATOM 1214 CE MET 76 -12.290 -28.650 19.467 1.00 22.51 ATOM 1215 HE1 MET 76 -12.281 -27.724 18.911 1.00 4.31 ATOM 1216 HE2 MET 76 -12.060 -28.450 20.503 1.00 31.04 ATOM 1217 HE3 MET 76 -13.268 -29.102 19.396 1.00 13.14 ATOM 1218 C MET 76 -9.733 -26.162 17.010 1.00 72.10 ATOM 1219 O MET 76 -10.742 -26.206 16.306 1.00 2.14 ATOM 1220 N ALA 77 -9.151 -25.023 17.370 1.00 40.11 ATOM 1221 HN ALA 77 -8.346 -25.051 17.942 1.00 36.81 ATOM 1222 CA ALA 77 -9.675 -23.730 16.947 1.00 32.21 ATOM 1223 HA ALA 77 -10.672 -23.622 17.352 1.00 34.34 ATOM 1224 CB ALA 77 -8.817 -22.605 17.505 1.00 11.44 ATOM 1225 HB1 ALA 77 -7.778 -22.816 17.310 1.00 2.41 ATOM 1226 HB2 ALA 77 -8.968 -22.538 18.571 1.00 22.24 ATOM 1227 HB3 ALA 77 -9.089 -21.672 17.043 1.00 73.22 ATOM 1228 C ALA 77 -9.748 -23.638 15.427 1.00 72.12 ATOM 1229 O ALA 77 -10.667 -23.032 14.875 1.00 61.32 ATOM 1230 N VAL 78 -8.774 -24.242 14.754 1.00 24.34 ATOM 1231 HN VAL 78 -8.078 -24.727 15.250 1.00 36.81 ATOM 1232 CA VAL 78 -8.728 -24.229 13.297 1.00 2.31 ATOM 1233 HA VAL 78 -8.687 -23.196 12.971 1.00 40.40 ATOM 1234 CB VAL 78 -7.476 -24.954 12.768 1.00 11.31 ATOM 1235 HB VAL 78 -7.527 -25.993 13.065 1.00 52.32 ATOM 1236 CG1 VAL 78 -7.427 -24.896 11.249 1.00 52.40 ATOM 1237 HG11 VAL 78 -8.159 -25.574 10.836 1.00 60.05 ATOM 1238 HG12 VAL 78 -6.444 -25.187 10.902 1.00 12.50 ATOM 1239 HG13 VAL 78 -7.641 -23.891 10.912 1.00 25.30 ATOM 1240 CG2 VAL 78 -6.217 -24.352 13.374 1.00 62.43 ATOM 1241 HG21 VAL 78 -6.169 -23.297 13.140 1.00 40.12 ATOM 1242 HG22 VAL 78 -5.350 -24.847 12.963 1.00 11.12 ATOM 1243 HG23 VAL 78 -6.222 -24.482 14.427 1.00 33.11 ATOM 1244 C VAL 78 -9.970 -24.882 12.702 1.00 21.41 ATOM 1245 O VAL 78 -10.585 -24.346 11.781 1.00 60.31 ATOM 1246 N ALA 79 -10.334 -26.044 13.236 1.00 64.04 ATOM 1247 HN ALA 79 -9.799 -26.429 13.971 1.00 36.81 ATOM 1248 CA ALA 79 -11.504 -26.770 12.759 1.00 31.31 ATOM 1249 HA ALA 79 -11.394 -26.930 11.694 1.00 54.01 ATOM 1250 CB ALA 79 -11.589 -28.133 13.430 1.00 64.42 ATOM 1251 HB1 ALA 79 -10.677 -28.681 13.243 1.00 45.32 ATOM 1252 HB2 ALA 79 -12.426 -28.686 13.028 1.00 60.20 ATOM 1253 HB3 ALA 79 -11.719 -28.007 14.496 1.00 65.41 ATOM 1254 C ALA 79 -12.782 -25.976 13.008 1.00 22.11 ATOM 1255 O ALA 79 -13.784 -26.158 12.316 1.00 64.31 ATOM 1256 N LYS 80 -12.741 -25.094 14.001 1.00 22.43 ATOM 1257 HN LYS 80 -11.931 -25.006 14.547 1.00 36.81 ATOM 1258 CA LYS 80 -13.895 -24.271 14.342 1.00 22.03 ATOM 1259 HA LYS 80 -14.793 -24.863 14.209 1.00 12.41 ATOM 1260 CB LYS 80 -13.817 -23.828 15.805 1.00 2.10 ATOM 1261 HB1 LYS 80 -12.936 -23.212 15.932 1.00 36.81 ATOM 1262 HB2 LYS 80 -13.706 -24.707 16.424 1.00 2.24 ATOM 1263 CG LYS 80 -15.022 -23.025 16.263 1.00 72.15 ATOM 1264 HG1 LYS 80 -15.567 -22.623 15.418 1.00 36.81 ATOM 1265 HG2 LYS 80 -14.665 -22.203 16.867 1.00 62.42 ATOM 1266 CD LYS 80 -15.958 -23.863 17.117 1.00 15.12 ATOM 1267 HD1 LYS 80 -16.498 -23.200 17.778 1.00 36.81 ATOM 1268 HD2 LYS 80 -15.394 -24.571 17.710 1.00 42.24 ATOM 1269 CE LYS 80 -16.965 -24.620 16.264 1.00 42.41 ATOM 1270 HE1 LYS 80 -16.481 -25.492 15.849 1.00 36.81 ATOM 1271 HE2 LYS 80 -17.310 -23.983 15.459 1.00 11.51 ATOM 1272 NZ LYS 80 -18.147 -25.057 17.057 1.00 23.12 ATOM 1273 HZ1 LYS 80 -18.814 -25.569 16.445 1.00 31.25 ATOM 1274 HZ2 LYS 80 -18.635 -24.233 17.464 1.00 51.22 ATOM 1275 HZ3 LYS 80 -17.851 -25.689 17.831 1.00 52.41 ATOM 1276 C LYS 80 -13.979 -23.049 13.434 1.00 44.34 ATOM 1277 O LYS 80 -15.012 -22.791 12.816 1.00 32.33 ATOM 1278 N VAL 81 -12.884 -22.299 13.355 1.00 23.02 ATOM 1279 HN VAL 81 -12.078 -22.582 13.843 1.00 36.81 ATOM 1280 CA VAL 81 -12.833 -21.105 12.520 1.00 61.23 ATOM 1281 HA VAL 81 -13.672 -20.471 12.786 1.00 14.41 ATOM 1282 CB VAL 81 -11.534 -20.311 12.754 1.00 62.45 ATOM 1283 HB VAL 81 -10.696 -20.915 12.431 1.00 44.41 ATOM 1284 CG1 VAL 81 -11.537 -19.028 11.936 1.00 33.54 ATOM 1285 HG11 VAL 81 -11.487 -19.269 10.888 1.00 74.41 ATOM 1286 HG12 VAL 81 -10.677 -18.426 12.198 1.00 23.41 ATOM 1287 HG13 VAL 81 -12.440 -18.466 12.135 1.00 72.13 ATOM 1288 CG2 VAL 81 -11.353 -20.010 14.234 1.00 72.14 ATOM 1289 HG21 VAL 81 -12.170 -19.389 14.577 1.00 71.15 ATOM 1290 HG22 VAL 81 -10.421 -19.483 14.382 1.00 10.41 ATOM 1291 HG23 VAL 81 -11.334 -20.913 14.806 1.00 14.21 ATOM 1292 C VAL 81 -12.937 -21.464 11.042 1.00 52.04 ATOM 1293 O VAL 81 -13.440 -20.681 10.237 1.00 53.14 ATOM 1294 N MET 82 -12.459 -22.654 10.692 1.00 43.51 ATOM 1295 HN MET 82 -12.059 -23.244 11.371 1.00 36.81 ATOM 1296 CA MET 82 -12.500 -23.117 9.310 1.00 61.11 ATOM 1297 HA MET 82 -12.531 -22.258 8.650 1.00 32.10 ATOM 1298 CB MET 82 -11.245 -23.929 8.984 1.00 30.54 ATOM 1299 HB1 MET 82 -11.290 -24.245 7.950 1.00 36.81 ATOM 1300 HB2 MET 82 -11.226 -24.811 9.606 1.00 54.11 ATOM 1301 CG MET 82 -9.951 -23.162 9.201 1.00 51.34 ATOM 1302 HG1 MET 82 -9.127 -23.859 9.156 1.00 36.81 ATOM 1303 HG2 MET 82 -9.966 -22.692 10.173 1.00 41.23 ATOM 1304 SD MET 82 -9.686 -21.884 7.957 1.00 45.24 ATOM 1305 CE MET 82 -9.418 -22.884 6.495 1.00 21.32 ATOM 1306 HE1 MET 82 -9.164 -23.890 6.778 1.00 65.51 ATOM 1307 HE2 MET 82 -8.615 -22.469 5.915 1.00 63.42 ATOM 1308 HE3 MET 82 -10.319 -22.897 5.900 1.00 64.40 ATOM 1309 C MET 82 -13.746 -23.960 9.056 1.00 24.32 ATOM 1310 O MET 82 -14.229 -24.045 7.928 1.00 44.35 ATOM 1311 N GLN 83 -14.259 -24.582 10.113 1.00 53.22 ATOM 1312 HN GLN 83 -13.840 -24.496 10.992 1.00 36.81 ATOM 1313 CA GLN 83 -15.448 -25.419 10.003 1.00 51.14 ATOM 1314 HA GLN 83 -15.629 -25.880 10.961 1.00 23.03 ATOM 1315 CB GLN 83 -16.662 -24.570 9.623 1.00 53.52 ATOM 1316 HB1 GLN 83 -17.457 -25.222 9.278 1.00 36.81 ATOM 1317 HB2 GLN 83 -16.405 -23.894 8.826 1.00 34.11 ATOM 1318 CG GLN 83 -17.216 -23.750 10.777 1.00 53.21 ATOM 1319 HG1 GLN 83 -16.553 -22.918 10.956 1.00 36.81 ATOM 1320 HG2 GLN 83 -17.265 -24.369 11.663 1.00 54.54 ATOM 1321 CD GLN 83 -18.605 -23.210 10.496 1.00 61.32 ATOM 1322 OE1 GLN 83 -19.607 -23.800 10.903 1.00 44.51 ATOM 1323 NE2 GLN 83 -18.672 -22.084 9.796 1.00 12.54 ATOM 1324 HE21 GLN 83 -17.838 -21.656 9.495 1.00 75.12 ATOM 1325 HE22 GLN 83 -19.561 -21.719 9.604 1.00 42.04 ATOM 1326 C GLN 83 -15.243 -26.523 8.971 1.00 24.31 ATOM 1327 O GLN 83 -16.179 -26.923 8.279 1.00 62.04 ATOM 1328 N LYS 84 -14.011 -27.013 8.873 1.00 12.23 ATOM 1329 HN LYS 84 -13.294 -26.669 9.453 1.00 36.81 ATOM 1330 CA LYS 84 -13.681 -28.072 7.927 1.00 34.11 ATOM 1331 HA LYS 84 -14.604 -28.460 7.514 1.00 71.33 ATOM 1332 CB LYS 84 -12.813 -27.520 6.795 1.00 63.15 ATOM 1333 HB1 LYS 84 -11.767 -27.589 7.070 1.00 36.81 ATOM 1334 HB2 LYS 84 -13.054 -26.474 6.643 1.00 30.11 ATOM 1335 CG LYS 84 -13.001 -28.247 5.474 1.00 12.40 ATOM 1336 HG1 LYS 84 -12.913 -29.313 5.647 1.00 36.81 ATOM 1337 HG2 LYS 84 -12.225 -27.929 4.792 1.00 21.52 ATOM 1338 CD LYS 84 -14.353 -27.934 4.854 1.00 63.43 ATOM 1339 HD1 LYS 84 -14.246 -27.066 4.221 1.00 36.81 ATOM 1340 HD2 LYS 84 -15.086 -27.727 5.621 1.00 50.01 ATOM 1341 CE LYS 84 -14.859 -29.093 4.008 1.00 42.20 ATOM 1342 HE1 LYS 84 -15.302 -29.831 4.661 1.00 36.81 ATOM 1343 HE2 LYS 84 -14.031 -29.539 3.471 1.00 4.54 ATOM 1344 NZ LYS 84 -15.879 -28.652 3.017 1.00 44.35 ATOM 1345 HZ1 LYS 84 -16.203 -29.466 2.456 1.00 51.23 ATOM 1346 HZ2 LYS 84 -15.474 -27.943 2.371 1.00 22.43 ATOM 1347 HZ3 LYS 84 -16.700 -28.234 3.504 1.00 15.22 ATOM 1348 C LYS 84 -12.957 -29.219 8.625 1.00 51.11 ATOM 1349 O LYS 84 -12.006 -29.000 9.375 1.00 44.32 ATOM 1350 N ASP 85 -13.412 -30.441 8.372 1.00 15.12 ATOM 1351 HN ASP 85 -14.154 -30.548 7.736 1.00 36.81 ATOM 1352 CA ASP 85 -12.806 -31.623 8.974 1.00 0.43 ATOM 1353 HA ASP 85 -12.339 -31.341 9.911 1.00 2.34 ATOM 1354 CB ASP 85 -13.875 -32.676 9.270 1.00 64.10 ATOM 1355 HB1 ASP 85 -14.472 -32.337 10.104 1.00 36.81 ATOM 1356 HB2 ASP 85 -13.409 -33.616 9.535 1.00 34.12 ATOM 1357 CG ASP 85 -14.800 -32.909 8.092 1.00 42.32 ATOM 1358 OD1 ASP 85 -14.430 -33.692 7.192 1.00 21.31 ATOM 1359 OD2 ASP 85 -15.894 -32.308 8.070 1.00 52.03 ATOM 1360 C ASP 85 -11.735 -32.209 8.060 1.00 22.22 ATOM 1361 O ASP 85 -11.768 -33.394 7.729 1.00 74.21 ATOM 1362 N SER 86 -10.786 -31.371 7.655 1.00 21.12 ATOM 1363 HN SER 86 -10.790 -30.443 7.974 1.00 36.81 ATOM 1364 HA SER 86 -10.150 -32.204 5.872 1.00 33.52 ATOM 1365 CB SER 86 -8.817 -30.619 6.402 1.00 45.05 ATOM 1366 HB1 SER 86 -8.334 -30.230 7.289 1.00 36.81 ATOM 1367 HB2 SER 86 -9.428 -29.849 5.961 1.00 73.32 ATOM 1368 OG SER 86 -7.824 -31.001 5.465 1.00 73.31 ATOM 1369 HG SER 86 -7.086 -31.408 5.925 1.00 43.53 ATOM 1370 CA SER 86 -9.707 -31.805 6.775 1.00 33.31 ATOM 1371 C SER 86 -8.871 -32.895 7.438 1.00 24.22 ATOM 1372 OT1 SER 86 -8.735 -33.983 6.838 1.00 36.81 ATOM 1373 OT2 SER 86 -8.366 -32.660 8.558 1.00 36.81 ATOM 1374 OH2 TIP3 1 -17.362 -29.553 -4.676 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -17.713 -30.409 -4.433 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -16.636 -29.410 -4.069 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -13.520 -31.516 -3.464 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -14.386 -31.621 -3.070 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -13.144 -30.757 -3.017 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.048 -34.366 3.592 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -17.959 -33.422 3.460 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.687 -34.641 2.934 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -19.115 -35.111 7.011 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -19.153 -35.757 7.716 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -19.438 -35.577 6.240 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -20.726 -32.678 7.417 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -20.422 -33.364 6.823 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -20.004 -32.560 8.035 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -12.063 -41.077 8.278 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -12.014 -40.467 9.014 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -11.637 -40.616 7.555 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -17.585 -38.284 7.745 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -17.442 -39.231 7.765 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -17.691 -38.077 6.816 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -16.708 -40.052 3.418 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.062 -40.381 4.043 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -16.198 -39.534 2.795 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -11.671 -39.599 10.514 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -12.360 -38.941 10.419 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -11.656 -39.796 11.451 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -23.051 -33.589 9.379 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -23.791 -32.991 9.482 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -22.337 -33.035 9.063 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -14.944 -40.761 5.399 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -15.159 -41.527 5.931 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -14.288 -40.289 5.912 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -19.327 -35.122 1.044 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -20.039 -34.587 0.693 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -18.636 -35.066 0.384 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -15.921 -34.912 1.996 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -16.653 -34.684 2.569 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -15.474 -35.626 2.451 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -16.024 -36.738 11.064 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -15.944 -35.975 11.636 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -16.625 -36.459 10.373 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -22.909 -30.854 6.560 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -23.004 -31.432 5.803 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -22.180 -31.225 7.056 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -17.050 -35.750 -0.319 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -16.471 -35.600 0.428 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -16.636 -35.279 -1.042 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -24.790 -29.042 12.993 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -24.782 -29.178 12.045 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -25.706 -29.160 13.245 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -12.162 -29.634 -2.129 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -12.089 -28.695 -1.959 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -11.257 -29.939 -2.186 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -20.266 -29.829 11.725 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -20.179 -29.003 12.200 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -21.130 -30.159 11.974 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -19.852 -26.057 1.531 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.927 -26.178 0.585 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -19.819 -25.107 1.650 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -16.750 -26.903 -1.466 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -16.375 -27.647 -1.937 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -16.746 -27.173 -0.548 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -14.093 -37.910 13.329 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -14.500 -37.429 12.609 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -14.052 -38.815 13.022 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -16.336 -39.578 11.550 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -16.850 -39.704 12.347 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -16.491 -38.666 11.305 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -18.701 -37.453 2.146 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -19.110 -36.638 1.854 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -17.981 -37.593 1.531 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -17.697 -38.007 4.960 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -17.892 -37.402 4.245 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -17.515 -38.841 4.525 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -18.433 -36.369 9.631 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -18.109 -37.000 8.988 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -18.873 -36.904 10.292 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -20.335 -37.654 6.302 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -19.771 -38.201 5.755 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -20.483 -38.176 7.091 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -21.165 -33.053 0.401 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -21.909 -33.560 0.078 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -21.299 -33.004 1.347 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -19.645 -32.869 11.638 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.991 -33.250 12.444 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -19.845 -31.935 11.709 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -19.039 -31.594 -0.574 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -19.334 -30.768 -0.192 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -19.742 -32.214 -0.378 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -17.395 -30.407 11.588 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.296 -30.224 11.320 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -17.361 -30.148 12.509 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -11.700 -32.362 12.792 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -12.552 -32.124 12.425 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -11.110 -32.379 12.039 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -23.665 -30.240 3.575 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -23.138 -29.467 3.374 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -24.545 -30.015 3.273 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -22.238 -32.577 3.151 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -22.479 -31.652 3.193 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -22.978 -33.036 3.547 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -21.723 -28.428 9.466 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -21.360 -27.573 9.233 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -21.191 -28.720 10.207 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -23.554 -27.555 2.696 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -24.504 -27.450 2.748 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -23.203 -26.735 3.041 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.976 -31.400 -1.759 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -15.623 -31.780 -0.955 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -16.925 -31.493 -1.673 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -11.472 -26.920 -1.558 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -10.729 -26.334 -1.698 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -12.167 -26.352 -1.225 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -15.110 -32.727 0.467 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -15.387 -33.455 1.023 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -14.183 -32.608 0.673 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -20.210 -29.020 -0.107 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -21.027 -28.523 -0.054 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.681 -28.545 -0.747 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -22.872 -27.977 -0.125 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -22.711 -27.177 -0.626 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -23.069 -27.670 0.760 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -23.939 -27.933 15.451 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -23.171 -28.392 15.792 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -23.960 -28.159 14.521 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -19.847 -28.425 -3.174 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -20.491 -29.056 -2.852 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.085 -28.956 -3.406 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -17.362 -29.553 14.180 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -17.713 -30.409 14.423 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -16.636 -29.410 14.787 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -15.243 -28.608 -2.940 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -14.960 -29.402 -2.487 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -14.503 -28.375 -3.501 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.936 -31.651 -3.347 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.204 -31.471 -2.446 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -19.142 -32.577 -3.478 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.830 -34.362 14.857 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.877 -34.278 14.829 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -18.990 -35.073 15.476 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -21.516 -35.669 10.394 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -20.765 -35.825 9.821 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.855 -34.817 10.118 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -15.784 -35.065 13.500 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -16.065 -34.356 12.922 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -14.841 -35.138 13.349 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -13.520 -31.516 15.392 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -14.386 -31.621 15.786 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.144 -30.757 15.839 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -12.219 -33.259 0.906 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -11.369 -32.838 1.034 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -12.214 -33.999 1.514 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -11.825 -35.206 2.730 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -12.551 -35.685 3.128 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -11.244 -35.000 3.462 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -14.038 -36.685 3.293 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -14.188 -37.630 3.273 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -14.392 -36.404 4.137 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -13.182 -34.715 12.932 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -12.599 -35.449 13.123 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -12.618 -33.943 12.978 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -11.685 -36.812 13.616 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -12.548 -37.191 13.451 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -11.081 -37.551 13.542 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -14.328 -39.102 1.755 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -14.048 -40.009 1.880 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -13.569 -38.668 1.366 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -13.716 -38.521 7.191 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -12.783 -38.309 7.157 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -13.951 -38.419 8.114 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -13.687 -37.784 9.967 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -14.530 -37.516 10.333 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -13.244 -36.962 9.756 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -24.457 -28.879 10.206 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -24.882 -28.070 9.923 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -23.552 -28.794 9.904 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -20.146 -27.480 13.165 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -19.961 -27.814 14.043 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -19.299 -27.171 12.843 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -27.055 -25.623 10.253 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -27.775 -25.183 9.802 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -27.421 -25.874 11.102 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -24.588 -26.023 9.283 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -25.453 -25.951 9.687 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -24.643 -25.476 8.499 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -22.962 -27.820 6.667 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -22.749 -28.708 6.380 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -22.897 -27.854 7.622 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -19.525 -26.566 -1.268 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -18.659 -26.200 -1.446 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -19.772 -27.006 -2.081 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.409 -32.172 24.169 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -15.850 -32.892 24.619 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -15.422 -31.451 24.799 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -18.251 -31.765 21.491 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -18.547 -32.087 20.640 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -18.575 -30.865 21.533 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -14.897 -30.332 26.517 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.839 -30.274 26.678 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -14.621 -29.426 26.380 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -15.486 -30.650 21.651 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -15.743 -31.340 21.039 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -15.415 -31.093 22.496 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -13.800 -32.084 30.128 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -13.660 -32.675 29.389 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -13.632 -31.211 29.772 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -11.958 -35.744 28.194 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -12.610 -35.049 28.283 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -11.493 -35.534 27.384 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -15.921 -34.912 20.852 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -16.653 -34.684 21.425 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -15.474 -35.626 21.307 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -17.600 -30.010 27.102 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -17.841 -29.348 27.750 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -17.798 -30.844 27.527 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -19.324 -29.013 21.972 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -18.850 -28.718 22.750 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -19.887 -28.275 21.739 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -15.573 -34.717 16.167 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -15.531 -34.940 15.237 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -14.724 -34.319 16.357 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -14.015 -33.920 28.043 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -13.373 -33.463 27.500 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -14.845 -33.807 27.581 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -19.039 -31.594 18.282 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -19.334 -30.768 18.664 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -19.742 -32.214 18.478 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -17.395 -30.407 30.444 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -18.296 -30.224 30.176 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -17.361 -30.148 31.365 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -11.700 -32.362 31.648 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -12.552 -32.124 31.281 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -11.110 -32.379 30.895 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.208 -34.568 26.298 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -17.136 -34.800 26.271 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.757 -35.345 25.968 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -21.723 -28.428 28.322 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -21.360 -27.573 28.089 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -21.191 -28.720 29.063 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -23.554 -27.555 21.552 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -24.504 -27.450 21.604 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -23.203 -26.735 21.897 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -18.179 -32.329 28.023 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -18.605 -32.556 28.849 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -17.598 -33.067 27.840 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -15.976 -31.400 17.097 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -15.623 -31.780 17.901 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -16.925 -31.493 17.183 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -15.110 -32.727 19.323 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -15.387 -33.455 19.879 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -14.183 -32.608 19.529 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -21.885 -30.288 15.544 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -21.646 -31.036 14.996 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -22.154 -30.676 16.376 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -22.948 -30.718 18.000 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -22.801 -31.238 18.790 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -22.951 -29.811 18.306 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -20.210 -29.020 18.749 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -21.027 -28.523 18.802 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -19.681 -28.545 18.109 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -22.872 -27.977 18.731 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -22.711 -27.177 18.230 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -23.069 -27.670 19.616 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -19.847 -28.425 15.682 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -20.491 -29.056 16.004 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -19.085 -28.956 15.450 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -17.362 -29.553 33.036 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.713 -30.409 33.279 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.636 -29.410 33.643 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.243 -28.608 15.916 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -14.960 -29.402 16.369 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -14.503 -28.375 15.355 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -18.936 -31.651 15.509 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -19.204 -31.471 16.410 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -19.142 -32.577 15.378 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -16.239 -33.156 30.457 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -15.494 -32.568 30.337 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -16.996 -32.574 30.520 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -12.678 -34.128 15.787 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -12.951 -34.553 14.974 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -12.638 -33.197 15.570 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -22.170 -25.792 17.343 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -21.237 -25.634 17.487 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -22.434 -25.117 16.718 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -13.520 -31.516 34.248 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -14.386 -31.621 34.642 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -13.144 -30.757 34.695 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -11.825 -35.206 21.586 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -12.551 -35.685 21.984 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -11.244 -35.000 22.318 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -11.557 -35.305 17.977 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -12.078 -34.948 17.258 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -11.590 -34.630 18.655 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -13.182 -34.715 31.788 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -12.599 -35.449 31.979 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -12.618 -33.943 31.834 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -20.146 -27.480 32.021 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -19.961 -27.814 32.899 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -19.299 -27.171 31.699 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -17.801 -26.195 31.265 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -17.124 -26.827 31.025 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -17.479 -25.793 32.073 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -19.877 -26.135 27.315 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -20.334 -25.606 26.661 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -19.714 -25.532 28.040 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -17.550 -27.257 28.260 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -18.454 -27.092 27.994 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -17.121 -26.404 28.194 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -22.962 -27.820 25.523 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -22.749 -28.708 25.236 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -22.897 -27.854 26.478 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.409 -32.172 43.025 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -15.850 -32.892 43.475 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -15.422 -31.451 43.655 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -18.298 -27.067 43.237 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -17.678 -27.744 42.964 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -18.506 -27.285 44.145 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -18.251 -31.765 40.347 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -18.547 -32.087 39.496 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.575 -30.865 40.389 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -16.645 -28.551 41.998 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -16.220 -29.258 41.513 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -16.328 -27.750 41.581 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -15.486 -30.650 40.507 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.743 -31.340 39.895 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -15.415 -31.093 41.352 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.921 -34.912 39.708 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -16.653 -34.684 40.281 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.474 -35.626 40.163 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.324 -29.013 40.828 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -18.850 -28.718 41.606 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -19.887 -28.275 40.595 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -19.852 -26.057 39.243 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -19.927 -26.178 38.297 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -19.819 -25.107 39.362 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -15.573 -34.717 35.023 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -15.531 -34.940 34.093 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -14.724 -34.319 35.213 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -19.039 -31.594 37.138 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -19.334 -30.768 37.520 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -19.742 -32.214 37.334 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -15.976 -31.400 35.953 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -15.623 -31.780 36.757 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -16.925 -31.493 36.039 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.110 -32.727 38.179 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.387 -33.455 38.735 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -14.183 -32.608 38.385 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -20.210 -29.020 37.605 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -21.027 -28.523 37.658 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -19.681 -28.545 36.965 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -14.250 -27.523 45.315 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -14.406 -26.845 44.658 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -13.318 -27.451 45.518 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -19.847 -28.425 34.538 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -20.491 -29.056 34.860 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -19.085 -28.956 34.306 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -18.936 -31.651 34.365 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -19.204 -31.471 35.266 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -19.142 -32.577 34.234 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -12.678 -34.128 34.643 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -12.951 -34.553 33.830 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -12.638 -33.197 34.426 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -12.219 -33.259 38.618 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -11.369 -32.838 38.746 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -12.214 -33.999 39.226 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -11.557 -35.305 36.833 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -12.078 -34.948 36.114 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -11.590 -34.630 37.511 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -19.525 -26.566 36.444 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -18.659 -26.200 36.266 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -19.772 -27.006 35.631 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -18.298 -8.211 -13.331 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -17.678 -8.888 -13.604 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -18.506 -8.429 -12.423 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -11.671 -20.743 -8.342 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -12.360 -20.085 -8.437 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -11.656 -20.940 -7.405 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -14.897 -11.476 -11.195 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -15.839 -11.418 -11.034 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -14.621 -10.570 -11.332 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -13.800 -13.228 -7.584 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -13.660 -13.819 -8.323 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -13.632 -12.355 -7.940 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -11.958 -16.888 -9.518 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -12.610 -16.193 -9.429 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -11.493 -16.678 -10.328 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -16.024 -17.882 -7.792 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -15.944 -17.119 -7.220 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -16.625 -17.603 -8.483 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -17.600 -11.154 -10.610 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -17.841 -10.492 -9.962 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -17.798 -11.988 -10.185 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -23.029 -12.258 -6.627 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -23.341 -11.476 -6.171 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -23.679 -12.411 -7.313 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -24.790 -10.186 -5.863 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -24.782 -10.322 -6.811 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -25.706 -10.304 -5.611 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -20.266 -10.973 -7.131 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -20.179 -10.147 -6.656 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -21.130 -11.303 -6.882 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -14.093 -19.054 -5.527 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -14.500 -18.573 -6.247 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -14.052 -19.959 -5.834 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -14.015 -15.064 -9.669 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -13.373 -14.607 -10.212 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -14.845 -14.951 -10.131 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -19.645 -14.013 -7.218 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.991 -14.394 -6.412 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -19.845 -13.079 -7.147 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -17.395 -11.551 -7.268 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -18.296 -11.368 -7.536 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -17.361 -11.292 -6.347 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -11.700 -13.506 -6.064 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -12.552 -13.268 -6.431 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -11.110 -13.523 -6.817 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -21.723 -9.572 -9.390 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -21.360 -8.717 -9.623 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -21.191 -9.864 -8.649 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -18.179 -13.473 -9.689 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -18.605 -13.700 -8.863 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -17.598 -14.211 -9.872 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -13.939 -21.674 -6.971 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -14.855 -21.411 -7.059 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -13.603 -21.677 -7.868 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -14.250 -8.667 -11.253 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -14.406 -7.989 -11.910 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -13.318 -8.595 -11.050 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -23.939 -9.077 -3.405 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -23.171 -9.536 -3.064 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -23.960 -9.303 -4.335 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -17.362 -10.697 -4.676 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -17.713 -11.553 -4.433 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -16.636 -10.554 -4.069 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -16.239 -14.300 -7.255 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -15.494 -13.712 -7.375 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -16.996 -13.718 -7.192 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -18.830 -15.506 -3.999 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -17.877 -15.422 -4.027 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -18.990 -16.217 -3.380 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -17.100 -18.998 -3.434 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -16.908 -19.929 -3.545 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -16.243 -18.573 -3.444 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -15.784 -16.209 -5.356 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.065 -15.500 -5.934 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -14.841 -16.282 -5.507 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -11.534 -8.017 -11.024 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -11.556 -7.832 -10.085 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -10.844 -7.448 -11.365 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -12.066 -13.565 -11.178 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -11.232 -13.943 -11.459 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -11.954 -12.622 -11.297 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -13.579 -10.687 -8.871 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -14.227 -10.362 -8.246 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -14.097 -11.127 -9.546 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -13.687 -18.928 -8.889 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -14.530 -18.660 -8.523 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -13.244 -18.106 -9.100 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -11.404 -24.948 -3.535 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -11.054 -25.602 -4.141 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -11.257 -24.111 -3.975 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -11.884 -22.839 -5.186 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -12.801 -22.568 -5.222 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -11.761 -23.374 -5.970 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -14.796 -7.927 -15.452 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -14.143 -8.274 -16.060 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -14.285 -7.438 -14.806 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -24.588 -7.167 -9.573 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -25.453 -7.095 -9.169 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -24.643 -6.620 -10.357 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -19.877 -7.279 -10.397 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -20.334 -6.750 -11.051 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -19.714 -6.676 -9.672 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -16.774 -25.469 -3.987 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -16.698 -25.895 -3.133 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -15.881 -25.455 -4.329 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.115 -16.255 7.011 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.153 -16.901 7.716 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -19.438 -16.721 6.240 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -15.409 -13.316 5.313 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.850 -14.036 5.763 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -15.422 -12.595 5.943 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -18.298 -8.211 5.525 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -17.678 -8.888 5.252 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.506 -8.429 6.433 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -24.430 -21.327 5.017 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -24.387 -20.467 4.599 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -24.888 -21.879 4.384 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -16.708 -21.196 3.418 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -16.062 -21.525 4.043 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -16.198 -20.678 2.795 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -22.654 -17.380 4.995 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -22.038 -17.906 5.504 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -23.240 -18.020 4.591 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -25.620 -22.409 9.091 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -25.839 -21.879 8.325 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -26.288 -22.182 9.739 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -18.251 -12.909 2.635 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -18.547 -13.231 1.784 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -18.575 -12.009 2.677 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -14.897 -11.476 7.661 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -15.839 -11.418 7.822 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -14.621 -10.570 7.524 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -21.594 -25.103 6.544 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -21.711 -26.052 6.490 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -22.449 -24.771 6.817 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -16.645 -9.695 4.286 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.220 -10.402 3.801 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -16.328 -8.894 3.869 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -15.486 -11.794 2.795 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -15.743 -12.484 2.183 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -15.415 -12.237 3.640 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -15.921 -16.056 1.996 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -16.653 -15.828 2.569 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -15.474 -16.770 2.451 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -23.909 -16.657 7.512 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -23.344 -16.536 6.749 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -23.590 -16.020 8.151 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -17.600 -11.154 8.246 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -17.841 -10.492 8.894 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -17.798 -11.988 8.671 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -17.050 -16.894 -0.319 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -16.471 -16.744 0.428 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -16.636 -16.423 -1.042 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -19.324 -10.157 3.116 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -18.850 -9.862 3.894 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.887 -9.419 2.883 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -13.352 -25.144 -0.506 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -14.251 -25.005 -0.211 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -13.100 -24.313 -0.908 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -19.852 -7.201 1.531 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -19.927 -7.322 0.585 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -19.819 -6.251 1.650 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -24.325 -24.200 7.322 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -25.186 -24.287 6.914 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -24.347 -23.344 7.749 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.573 -15.861 -2.689 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -15.531 -16.084 -3.619 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -14.724 -15.463 -2.499 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -24.234 -19.234 8.417 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -24.876 -19.275 9.126 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -24.197 -18.308 8.179 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -19.599 -18.422 13.634 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -20.162 -19.126 13.954 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -18.773 -18.542 14.101 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -17.697 -19.151 4.960 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -17.892 -18.546 4.245 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -17.515 -19.985 4.525 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -18.433 -17.513 9.631 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -18.109 -18.144 8.988 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -18.873 -18.048 10.292 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -21.655 -21.586 4.415 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -22.566 -21.529 4.704 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -21.150 -21.646 5.226 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -13.963 -6.679 13.956 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -13.763 -6.255 13.121 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -13.307 -6.336 14.563 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -20.335 -18.798 6.302 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -19.771 -19.345 5.755 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -20.483 -19.320 7.091 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -19.645 -14.013 11.638 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.991 -14.394 12.444 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -19.845 -13.079 11.709 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -16.549 -19.516 0.261 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -15.657 -19.653 0.580 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -16.492 -18.725 -0.276 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.039 -12.738 -0.574 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -19.334 -11.912 -0.192 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -19.742 -13.358 -0.378 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -22.015 -16.924 13.698 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -22.311 -17.090 12.803 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -21.084 -17.144 13.688 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -17.395 -11.551 11.588 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -18.296 -11.368 11.320 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -17.361 -11.292 12.509 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -11.664 -19.306 -0.045 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -12.218 -19.702 -0.717 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -11.563 -18.396 -0.322 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -16.208 -15.712 7.442 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -17.136 -15.944 7.415 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -15.757 -16.489 7.112 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -18.179 -13.473 9.167 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -18.605 -13.700 9.993 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -17.598 -14.211 8.984 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -15.976 -12.544 -1.759 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -15.623 -12.924 -0.955 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -16.925 -12.637 -1.673 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -15.520 -8.921 11.636 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.122 -9.476 11.141 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -15.239 -8.254 11.010 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -15.110 -13.871 0.467 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -15.387 -14.599 1.023 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -14.183 -13.752 0.673 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -21.885 -11.432 -3.312 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -21.646 -12.180 -3.860 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -22.154 -11.820 -2.480 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -17.879 -22.295 1.030 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -17.659 -21.823 0.227 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -17.321 -21.900 1.701 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -20.210 -10.164 -0.107 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -21.027 -9.667 -0.054 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -19.681 -9.689 -0.747 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -19.795 -23.486 2.803 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -20.142 -22.868 3.448 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -19.137 -22.985 2.322 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -22.872 -9.121 -0.125 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -22.711 -8.321 -0.626 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -23.069 -8.814 0.760 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -15.337 -17.923 5.981 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -16.134 -18.338 5.652 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -14.892 -18.614 6.472 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -14.250 -8.667 7.603 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -14.406 -7.989 6.946 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -13.318 -8.595 7.806 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -19.847 -9.569 -3.174 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -20.491 -10.200 -2.852 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -19.085 -10.100 -3.406 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.936 -12.795 -3.347 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -19.204 -12.615 -2.446 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -19.142 -13.721 -3.478 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -16.239 -14.300 11.601 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.494 -13.712 11.481 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -16.996 -13.718 11.664 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -23.850 -17.977 11.579 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -24.468 -17.302 11.860 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -23.506 -17.656 10.746 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.830 -15.506 14.857 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -17.877 -15.422 14.829 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.990 -16.217 15.476 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -23.510 -20.622 12.662 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -23.360 -21.351 12.059 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -23.508 -19.845 12.103 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -21.516 -16.813 10.394 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -20.765 -16.969 9.821 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -21.855 -15.961 10.118 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -17.100 -18.998 15.422 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -16.908 -19.929 15.311 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -16.243 -18.573 15.412 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -15.784 -16.209 13.500 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.065 -15.500 12.922 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -14.841 -16.282 13.349 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -25.032 -19.424 14.573 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -25.799 -19.956 14.363 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -24.353 -19.734 13.974 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -21.028 -20.474 14.149 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -21.264 -20.694 15.051 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -21.811 -20.681 13.640 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -21.717 -23.819 15.311 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -21.848 -24.295 14.490 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -22.316 -23.075 15.255 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -22.170 -6.936 -1.513 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -21.237 -6.778 -1.369 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -22.434 -6.261 -2.138 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -11.534 -8.017 7.832 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -11.556 -7.832 8.771 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -10.844 -7.448 7.491 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -11.971 -8.450 10.754 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -12.458 -9.185 10.383 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -11.422 -8.843 11.432 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -13.520 -12.660 15.392 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.386 -12.765 15.786 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -13.144 -11.901 15.839 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -11.825 -16.350 2.730 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -12.551 -16.829 3.128 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -11.244 -16.144 3.462 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -13.579 -10.687 9.985 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -14.227 -10.362 10.610 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -14.097 -11.127 9.310 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.038 -17.829 3.293 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -14.188 -18.774 3.273 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -14.392 -17.548 4.137 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -13.960 -21.801 -3.211 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -13.350 -22.173 -2.574 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -14.797 -22.223 -3.015 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -14.328 -20.246 1.755 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -14.048 -21.153 1.880 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -13.569 -19.812 1.366 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -13.714 -22.983 1.804 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -13.532 -23.432 2.629 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -14.314 -23.568 1.340 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -11.848 -22.916 -1.668 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -11.435 -23.637 -2.144 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -11.166 -22.246 -1.610 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -14.945 -6.831 9.699 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -15.127 -5.915 9.488 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -14.769 -7.241 8.852 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -19.453 -23.300 5.812 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -20.128 -23.929 6.067 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -18.889 -23.784 5.209 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -22.547 -24.739 3.447 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -21.673 -24.351 3.417 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -22.683 -24.954 4.370 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -15.637 -24.683 0.789 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.340 -24.069 0.579 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -16.082 -25.521 0.920 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -19.525 -7.710 -1.268 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -18.659 -7.344 -1.446 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -19.772 -8.150 -2.081 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -27.169 -24.152 13.151 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -27.535 -24.917 13.594 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -26.256 -24.123 13.438 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -25.196 -24.801 14.687 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -24.297 -25.075 14.502 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -25.582 -25.544 15.151 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -13.598 -9.396 13.562 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.380 -9.582 13.042 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.670 -8.467 13.779 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -18.048 -15.510 22.448 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.959 -14.566 22.316 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -18.687 -15.785 21.790 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -19.115 -16.255 25.867 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -19.153 -16.901 26.572 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -19.438 -16.721 25.096 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -15.409 -13.316 24.169 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -15.850 -14.036 24.619 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -15.422 -12.595 24.799 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -17.585 -19.428 26.601 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -17.442 -20.375 26.621 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -17.691 -19.221 25.672 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -18.251 -12.909 21.491 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -18.547 -13.231 20.640 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -18.575 -12.009 21.533 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -14.897 -11.476 26.517 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.839 -11.418 26.678 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -14.621 -10.570 26.380 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -21.594 -25.103 25.400 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -21.711 -26.052 25.346 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -22.449 -24.771 25.673 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -15.486 -11.794 21.651 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -15.743 -12.484 21.039 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -15.415 -12.237 22.496 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.800 -13.228 30.128 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -13.660 -13.819 29.389 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -13.632 -12.355 29.772 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -19.327 -16.266 19.900 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -20.039 -15.731 19.549 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -18.636 -16.210 19.240 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -19.273 -17.808 16.939 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -18.572 -17.786 17.590 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -18.971 -18.436 16.283 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -16.024 -17.882 29.920 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -15.944 -17.119 30.492 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -16.625 -17.603 29.229 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.600 -11.154 27.102 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -17.841 -10.492 27.750 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.798 -11.988 27.527 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -12.162 -10.778 16.727 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -12.089 -9.839 16.897 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -11.257 -11.083 16.670 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -11.245 -10.547 31.705 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -11.294 -11.502 31.668 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -12.071 -10.279 32.107 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -14.093 -19.054 32.185 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -14.500 -18.573 31.465 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.052 -19.959 31.878 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -19.662 -24.478 29.552 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -19.242 -24.893 30.305 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -20.595 -24.656 29.669 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -15.573 -15.861 16.167 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -15.531 -16.084 15.237 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -14.724 -15.463 16.357 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -18.701 -18.597 21.002 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -19.110 -17.782 20.710 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -17.981 -18.737 20.387 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -17.697 -19.151 23.816 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -17.892 -18.546 23.101 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -17.515 -19.985 23.381 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -23.118 -21.540 15.938 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -23.549 -21.985 16.668 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -23.836 -21.168 15.426 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -18.433 -17.513 28.487 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -18.109 -18.144 27.844 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -18.873 -18.048 29.148 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -21.655 -21.586 23.271 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -22.566 -21.529 23.560 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -21.150 -21.646 24.082 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -23.174 -19.957 19.754 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -22.242 -19.828 19.932 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -23.389 -19.287 19.105 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -20.335 -18.798 25.158 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -19.771 -19.345 24.611 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -20.483 -19.320 25.947 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -21.709 -20.410 27.572 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -22.544 -19.956 27.682 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -21.185 -20.134 28.324 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -11.700 -13.506 31.648 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.552 -13.268 31.281 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -11.110 -13.523 30.895 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.368 -10.520 19.276 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.741 -11.346 19.586 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -13.091 -10.703 18.379 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -18.179 -13.473 28.023 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -18.605 -13.700 28.849 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -17.598 -14.211 27.840 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -15.976 -12.544 17.097 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.623 -12.924 17.901 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -16.925 -12.637 17.183 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -11.472 -8.064 17.298 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -10.729 -7.478 17.158 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -12.167 -7.496 17.631 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -15.110 -13.871 19.323 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -15.387 -14.599 19.879 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -14.183 -13.752 19.529 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -18.663 -21.947 28.789 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -17.965 -21.873 29.439 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -19.044 -22.811 28.944 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -20.679 -20.567 20.721 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -19.867 -20.063 20.767 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -20.924 -20.712 21.635 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -20.143 -19.581 29.906 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -20.024 -19.007 30.663 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -19.488 -20.269 30.021 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -19.795 -23.486 21.659 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -20.142 -22.868 22.304 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -19.137 -22.985 21.178 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -24.138 -22.423 18.347 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -24.221 -21.534 18.693 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -23.248 -22.688 18.578 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -15.243 -9.752 15.916 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -14.960 -10.546 16.369 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -14.503 -9.519 15.355 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -16.239 -14.300 30.457 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -15.494 -13.712 30.337 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -16.996 -13.718 30.520 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -17.100 -18.998 34.278 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -16.908 -19.929 34.167 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -16.243 -18.573 34.268 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -15.784 -16.209 32.356 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -16.065 -15.500 31.778 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -14.841 -16.282 32.205 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -18.312 -21.347 32.081 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -19.260 -21.315 32.213 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -18.000 -21.972 32.735 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -16.678 -22.713 34.086 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -16.775 -23.665 34.080 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.000 -22.444 34.947 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -13.520 -12.660 34.248 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -14.386 -12.765 34.642 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -13.144 -11.901 34.695 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -13.579 -10.687 28.841 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -14.227 -10.362 29.466 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -14.097 -11.127 28.166 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -13.182 -15.859 31.788 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.599 -16.593 31.979 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -12.618 -15.087 31.834 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -22.547 -24.739 22.303 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -21.673 -24.351 22.273 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -22.683 -24.954 23.226 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -21.403 -22.659 19.193 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -21.225 -23.305 19.876 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -21.457 -21.825 19.660 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -12.816 -8.147 20.268 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -13.010 -8.895 19.703 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -12.855 -7.389 19.684 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -15.573 -15.861 35.023 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -15.531 -16.084 34.093 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -14.724 -15.463 35.213 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -17.267 -21.383 36.312 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -18.205 -21.271 36.161 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -16.970 -20.526 36.618 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -11.664 -19.306 37.667 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -12.218 -19.702 36.995 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -11.563 -18.396 37.390 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -17.879 -22.295 38.742 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -17.659 -21.823 37.939 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -17.321 -21.900 39.413 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -19.795 -23.486 40.515 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -20.142 -22.868 41.160 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -19.137 -22.985 40.034 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -12.678 -15.272 34.643 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -12.951 -15.697 33.830 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -12.638 -14.341 34.426 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -11.557 -16.449 36.833 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -12.078 -16.092 36.114 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -11.590 -15.774 37.511 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -13.208 -19.209 35.384 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -13.111 -18.542 34.704 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -13.348 -20.025 34.902 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -14.328 -20.246 39.467 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -14.048 -21.153 39.592 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -13.569 -19.812 39.078 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -13.714 -22.983 39.516 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -13.532 -23.432 40.341 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -14.314 -23.568 39.052 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -14.311 -25.193 43.636 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -13.707 -24.645 43.135 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -15.180 -24.873 43.396 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -12.584 -24.054 41.970 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -11.972 -24.568 41.443 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -12.201 -23.176 41.993 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -16.990 -24.709 42.808 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -16.914 -24.614 41.859 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.266 -25.617 42.937 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -18.048 3.346 -15.264 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -17.959 4.290 -15.396 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -18.687 3.071 -15.922 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -18.298 10.645 -13.331 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -17.678 9.968 -13.604 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -18.506 10.427 -12.423 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -17.585 -0.572 -11.111 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -17.442 -1.519 -11.091 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -17.691 -0.365 -12.040 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -16.708 -2.340 -15.438 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -16.062 -2.669 -14.813 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -16.198 -1.822 -16.061 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -22.654 1.476 -13.861 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -22.038 0.950 -13.352 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -23.240 0.836 -14.265 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -18.251 5.947 -16.221 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -18.547 5.625 -17.072 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -18.575 6.847 -16.179 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -23.051 4.123 -9.477 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -23.791 4.721 -9.374 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -22.337 4.677 -9.793 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -24.643 6.087 -8.690 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -24.649 6.966 -9.068 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -25.497 6.004 -8.265 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -21.594 -6.247 -12.312 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -21.711 -7.196 -12.366 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -22.449 -5.915 -12.039 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -16.645 9.161 -14.570 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -16.220 8.454 -15.055 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -16.328 9.962 -14.987 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -15.486 7.062 -16.061 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -15.743 6.372 -16.673 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -15.415 6.619 -15.216 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -19.327 2.590 -17.812 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -20.039 3.125 -18.163 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -18.636 2.646 -18.472 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -15.921 2.800 -16.860 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -16.653 3.028 -16.287 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -15.474 2.086 -16.405 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -22.909 6.858 -12.296 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -23.004 6.280 -13.053 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -22.180 6.487 -11.800 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -23.909 2.199 -11.344 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -23.344 2.320 -12.107 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -23.590 2.836 -10.705 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -23.029 6.598 -6.627 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -23.341 7.380 -6.171 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -23.679 6.445 -7.313 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -19.324 8.699 -15.740 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -18.850 8.994 -14.962 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -19.887 9.437 -15.973 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -24.790 8.670 -5.863 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -24.782 8.534 -6.811 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -25.706 8.552 -5.611 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -11.245 8.309 -6.007 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -11.294 7.354 -6.044 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -12.071 8.577 -5.605 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -18.701 0.259 -16.710 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -19.110 1.074 -17.002 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -17.981 0.119 -17.325 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -17.697 -0.295 -13.896 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -17.892 0.310 -14.611 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -17.515 -1.129 -14.331 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -13.963 12.177 -4.900 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -13.763 12.601 -5.735 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -13.307 12.520 -4.293 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -20.335 0.058 -12.554 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -19.771 -0.489 -13.101 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -20.483 -0.464 -11.765 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -21.709 -1.554 -10.140 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -22.544 -1.100 -10.030 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -21.185 -1.278 -9.388 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -22.015 1.932 -5.158 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -22.311 1.766 -6.053 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -21.084 1.712 -5.168 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -11.700 5.350 -6.064 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -12.552 5.588 -6.431 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -11.110 5.333 -6.817 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -22.238 5.135 -15.705 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -22.479 6.060 -15.663 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -22.978 4.676 -15.309 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -21.723 9.284 -9.390 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -21.360 10.139 -9.623 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -21.191 8.992 -8.649 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -15.110 4.985 -18.389 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -15.387 4.257 -17.833 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -14.183 5.104 -18.183 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -20.143 -0.725 -7.806 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -20.024 -0.151 -7.049 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -19.488 -1.413 -7.691 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -15.337 0.933 -12.875 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -16.134 0.518 -13.204 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -14.892 0.242 -12.384 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -14.250 10.189 -11.253 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -14.406 10.867 -11.910 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -13.318 10.261 -11.050 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -23.939 9.779 -3.405 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -23.171 9.320 -3.064 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -23.960 9.553 -4.335 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -21.974 4.640 -4.638 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -22.302 4.911 -5.496 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -21.822 3.699 -4.726 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -23.850 0.879 -7.277 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -24.468 1.554 -6.996 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -23.506 1.200 -8.110 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -23.510 -1.766 -6.194 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -23.360 -2.495 -6.797 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -23.508 -0.989 -6.753 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -23.098 -3.396 -8.702 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -22.562 -2.945 -9.354 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -23.950 -3.504 -9.124 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -21.516 2.043 -8.462 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -20.765 1.887 -9.035 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -21.855 2.895 -8.738 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -22.292 -5.940 -8.270 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -22.390 -4.993 -8.376 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -23.035 -6.312 -8.746 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -21.028 -1.618 -4.707 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -21.264 -1.838 -3.805 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -21.811 -1.825 -5.216 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -22.070 -6.646 -5.599 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -21.358 -7.286 -5.613 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -22.171 -6.379 -6.513 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -21.717 -4.963 -3.545 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -21.848 -5.439 -4.366 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -22.316 -4.219 -3.601 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -11.534 10.839 -11.024 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -11.556 11.024 -10.085 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -10.844 11.408 -11.365 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -11.971 10.406 -8.102 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -12.458 9.671 -8.473 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -11.422 10.013 -7.424 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -11.825 2.506 -16.126 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -12.551 2.027 -15.728 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -11.244 2.712 -15.394 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -14.038 1.027 -15.563 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -14.188 0.082 -15.583 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -14.392 1.308 -14.719 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -14.328 -1.390 -17.101 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -14.048 -2.297 -16.976 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -13.569 -0.956 -17.490 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -13.714 -4.127 -17.052 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -13.532 -4.576 -16.227 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -14.314 -4.712 -17.516 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -24.457 8.833 -8.650 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -24.882 9.642 -8.933 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -23.552 8.918 -8.952 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -20.146 10.232 -5.691 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -19.961 9.898 -4.813 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -19.299 10.541 -6.013 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -17.801 11.517 -6.447 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -17.124 10.885 -6.687 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -17.479 11.919 -5.639 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -19.877 11.577 -10.397 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -20.334 12.106 -11.051 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -19.714 12.180 -9.672 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -17.550 10.455 -9.452 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -18.454 10.620 -9.718 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -17.121 11.308 -9.518 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -14.945 12.025 -9.157 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -15.127 12.941 -9.368 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -14.769 11.615 -10.004 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -22.962 9.892 -12.189 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -22.749 9.004 -12.476 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -22.897 9.858 -11.234 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -19.453 -4.444 -13.044 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -20.128 -5.073 -12.789 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -18.889 -4.928 -13.647 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -14.311 -6.337 -12.932 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -13.707 -5.789 -13.433 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -15.180 -6.017 -13.172 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -12.584 -5.198 -14.598 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -11.972 -5.712 -15.125 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -12.201 -4.320 -14.575 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -16.990 -5.853 -13.760 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -16.914 -5.758 -14.709 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -17.266 -6.761 -13.631 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -25.196 -5.945 -4.169 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -24.297 -6.219 -4.354 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -25.582 -6.688 -3.705 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -13.598 9.460 -5.294 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -14.380 9.274 -5.814 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -13.670 10.389 -5.077 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -18.048 3.346 3.592 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -17.959 4.290 3.460 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -18.687 3.071 2.934 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -12.063 -3.365 8.278 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -12.014 -2.755 9.014 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -11.637 -2.904 7.555 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -16.708 -2.340 3.418 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -16.062 -2.669 4.043 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -16.198 -1.822 2.795 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -18.251 5.947 2.635 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -18.547 5.625 1.784 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -18.575 6.847 2.677 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -14.944 -3.049 5.399 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -15.159 -3.815 5.931 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -14.288 -2.577 5.912 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -14.597 -4.334 9.078 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -15.333 -3.723 9.040 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -13.913 -3.919 8.552 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -15.486 7.062 2.795 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -15.743 6.372 2.183 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -15.415 6.619 3.640 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -19.327 2.590 1.044 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -20.039 3.125 0.693 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -18.636 2.646 0.384 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -15.921 2.800 1.996 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -16.653 3.028 2.569 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -15.474 2.086 2.451 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -12.162 8.078 -2.129 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -12.089 9.017 -1.959 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -11.257 7.773 -2.186 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -16.750 10.809 -1.466 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -16.375 10.065 -1.937 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -16.746 10.539 -0.548 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -20.000 -3.129 -2.019 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -20.254 -3.110 -1.096 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -20.257 -4.001 -2.320 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -18.701 0.259 2.146 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -19.110 1.074 1.854 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -17.981 0.119 1.531 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -17.697 -0.295 4.960 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -17.892 0.310 4.245 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -17.515 -1.129 4.525 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -23.118 -2.684 -2.918 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -23.549 -3.129 -2.188 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -23.836 -2.312 -3.430 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -17.250 -3.495 7.679 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -17.927 -3.364 8.343 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -17.736 -3.650 6.869 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -21.165 4.659 0.401 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -21.909 4.152 0.078 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -21.299 4.708 1.347 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -19.039 6.118 -0.574 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -19.334 6.944 -0.192 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -19.742 5.498 -0.378 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -13.368 8.336 0.420 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -13.741 7.510 0.730 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -13.091 8.153 -0.477 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -15.110 4.985 0.467 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -15.387 4.257 1.023 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -14.183 5.104 0.673 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -21.885 7.424 -3.312 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -21.646 6.676 -3.860 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -22.154 7.036 -2.480 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -22.948 6.994 -0.856 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -22.801 6.474 -0.066 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -22.951 7.901 -0.550 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -17.879 -3.439 1.030 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -17.659 -2.967 0.227 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -17.321 -3.044 1.701 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -20.210 8.692 -0.107 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -21.027 9.189 -0.054 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -19.681 9.167 -0.747 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -20.679 -1.711 1.865 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -19.867 -1.207 1.911 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -20.924 -1.856 2.779 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -19.795 -4.630 2.803 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -20.142 -4.012 3.448 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -19.137 -4.129 2.322 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -19.847 9.287 -3.174 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -20.491 8.656 -2.852 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -19.085 8.756 -3.406 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -15.243 9.104 -2.940 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -14.960 8.310 -2.487 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -14.503 9.337 -3.501 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -22.068 1.229 -2.514 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -22.248 1.075 -3.442 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -21.117 1.337 -2.470 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -12.219 4.453 0.906 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -11.369 4.874 1.034 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -12.214 3.713 1.514 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -11.825 2.506 2.730 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -12.551 2.027 3.128 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -11.244 2.712 3.462 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -14.038 1.027 3.293 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -14.188 0.082 3.273 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -14.392 1.308 4.137 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -14.328 -1.390 1.755 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -14.048 -2.297 1.880 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -13.569 -0.956 1.366 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -13.716 -0.809 7.191 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -12.783 -0.597 7.157 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -13.951 -0.707 8.114 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -11.404 -6.092 15.321 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -11.054 -6.746 14.715 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -11.257 -5.255 14.881 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -11.884 -3.983 13.670 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -12.801 -3.712 13.634 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -11.761 -4.518 12.886 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -12.883 -5.893 11.489 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -13.696 -5.568 11.101 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -12.650 -6.653 10.956 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -19.453 -4.444 5.812 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -20.128 -5.073 6.067 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -18.889 -4.928 5.209 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -16.990 -5.853 5.096 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -16.914 -5.758 4.147 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -17.266 -6.761 5.225 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -21.403 -3.803 0.337 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -21.225 -4.449 1.020 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -21.457 -2.969 0.804 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -19.525 11.146 -1.268 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -18.659 11.512 -1.446 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -19.772 10.706 -2.081 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -13.352 -6.288 18.350 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -14.251 -6.149 18.645 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -13.100 -5.457 17.948 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -11.848 -4.060 17.188 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -11.435 -4.781 16.712 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -11.166 -3.390 17.246 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -19.662 13.234 -8.160 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -19.242 12.819 -7.407 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -20.595 13.056 -8.043 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -22.292 12.916 -8.270 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -22.390 13.863 -8.376 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -23.035 12.544 -8.746 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -22.070 12.210 -5.599 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -21.358 11.570 -5.613 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -22.171 12.477 -6.513 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -12.883 12.963 -7.367 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -13.696 13.288 -7.755 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -12.650 12.203 -7.900 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -14.311 12.519 -12.932 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -13.707 13.067 -13.433 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -15.180 12.839 -13.172 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -16.774 12.243 -3.987 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -16.698 11.817 -3.133 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -15.881 12.257 -4.329 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 0.808 -34.366 3.592 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 0.897 -33.422 3.460 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 0.169 -34.641 2.934 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -0.259 -35.111 7.011 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -0.297 -35.757 7.716 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -0.582 -35.577 6.240 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -10.357 -37.386 2.532 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -10.805 -36.540 2.514 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -10.918 -37.966 2.017 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 1.271 -38.284 7.745 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 1.414 -39.231 7.765 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 1.165 -38.077 6.816 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -5.574 -40.183 5.017 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -5.531 -39.323 4.599 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -6.032 -40.735 4.384 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -3.798 -36.236 4.995 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -3.182 -36.762 5.504 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -4.384 -36.876 4.591 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -6.764 -41.265 9.091 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -6.983 -40.735 8.325 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -7.432 -41.038 9.739 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 0.605 -31.765 2.635 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 0.309 -32.087 1.784 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 0.281 -30.865 2.677 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -7.170 -39.373 7.044 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -6.557 -38.740 7.417 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -6.658 -39.845 6.387 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.666 -31.954 0.948 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.938 -31.725 0.059 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -9.621 -31.116 1.408 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 3.370 -30.650 2.795 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 3.113 -31.340 2.183 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 3.441 -31.093 3.640 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 6.898 -35.744 9.338 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 6.246 -35.049 9.427 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 7.363 -35.534 8.528 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 2.935 -34.912 1.996 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 2.203 -34.684 2.569 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 3.382 -35.626 2.451 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 2.832 -36.738 11.064 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 2.912 -35.975 11.636 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 2.231 -36.459 10.373 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -5.420 -34.282 3.879 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -5.750 -34.652 3.060 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -4.832 -34.952 4.225 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -5.053 -35.513 7.512 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -4.488 -35.392 6.749 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -4.734 -34.876 8.151 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -0.468 -29.013 3.116 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 0.006 -28.718 3.894 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -1.031 -28.275 2.883 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -6.430 -35.212 1.468 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -6.722 -34.444 0.977 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -7.104 -35.872 1.305 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -0.996 -26.057 1.531 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -1.071 -26.178 0.585 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -0.963 -25.107 1.650 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 2.106 -26.903 -1.466 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 2.481 -27.647 -1.937 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 2.110 -27.173 -0.548 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 1.775 -26.977 1.283 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 0.840 -26.877 1.462 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 2.055 -27.686 1.861 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -5.378 -38.090 8.417 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -6.020 -38.131 9.126 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -5.341 -37.164 8.179 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 -5.381 -37.869 3.329 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 -6.274 -38.210 3.270 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 -4.930 -38.246 2.573 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -0.743 -37.278 13.634 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -1.306 -37.982 13.954 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 0.083 -37.398 14.101 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 1.159 -38.007 4.960 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 0.964 -37.402 4.245 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 1.341 -38.841 4.525 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.628 -37.770 10.284 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -7.666 -37.370 11.152 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -8.119 -38.587 10.374 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -11.020 -40.654 4.134 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -10.389 -40.683 4.854 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -10.570 -41.079 3.404 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.423 -36.369 9.631 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 0.747 -37.000 8.988 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -0.017 -36.904 10.292 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -7.971 -38.813 3.242 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -8.860 -38.713 2.902 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -7.675 -39.655 2.896 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -1.479 -37.654 6.302 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -0.915 -38.201 5.755 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -1.627 -38.176 7.091 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -2.309 -33.053 0.401 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -3.053 -33.560 0.078 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -2.443 -33.004 1.347 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 4.841 -33.920 9.187 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 5.483 -33.463 8.644 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 4.011 -33.807 8.725 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -10.176 -35.297 11.485 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -9.953 -35.715 12.317 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -10.778 -35.910 11.063 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 5.488 -29.376 0.420 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 5.115 -30.202 0.730 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 5.765 -29.559 -0.477 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 2.648 -34.568 7.442 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 1.720 -34.800 7.415 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 3.099 -35.345 7.112 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -3.382 -32.577 3.151 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -3.623 -31.652 3.193 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -4.122 -33.036 3.547 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 7.384 -26.920 -1.558 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 8.127 -26.334 -1.698 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 6.689 -26.352 -1.225 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -8.542 -40.544 11.043 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -9.435 -40.205 10.976 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -8.641 -41.399 11.461 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 3.746 -32.727 0.467 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 3.469 -33.455 1.023 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 4.673 -32.608 0.673 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -4.092 -30.718 -0.856 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -3.945 -31.238 -0.066 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -4.095 -29.811 -0.550 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -7.639 -33.465 -0.346 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.325 -33.113 0.221 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.116 -32.702 -0.592 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -1.354 -29.020 -0.107 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -2.171 -28.523 -0.054 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -0.825 -28.545 -0.747 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -1.287 -38.437 11.050 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -1.168 -37.863 11.807 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.632 -39.125 11.165 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -4.016 -27.977 -0.125 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -3.855 -27.177 -0.626 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -4.213 -27.670 0.760 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 3.519 -36.779 5.981 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 2.722 -37.194 5.652 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 3.964 -37.470 6.472 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -7.023 -30.851 -1.449 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -6.431 -30.152 -1.173 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -6.564 -31.284 -2.168 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -9.773 -33.042 14.785 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -9.629 -33.944 14.499 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -10.546 -32.756 14.297 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -8.941 -35.842 14.205 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -8.533 -36.699 14.084 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -9.201 -35.827 15.126 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 -4.994 -36.833 11.579 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 -5.612 -36.158 11.860 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 -4.650 -36.512 10.746 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -4.654 -39.478 12.662 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -4.504 -40.207 12.059 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -4.652 -38.701 12.103 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 -2.660 -35.669 10.394 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 -1.909 -35.825 9.821 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 -2.999 -34.817 10.118 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 1.756 -37.854 15.422 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 1.948 -38.785 15.311 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 2.613 -37.429 15.412 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 3.072 -35.065 13.500 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 2.791 -34.356 12.922 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 4.015 -35.138 13.349 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -6.176 -38.280 14.573 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -6.943 -38.812 14.363 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -5.497 -38.590 13.974 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -2.172 -39.330 14.149 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -2.408 -39.550 15.051 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -2.955 -39.537 13.640 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -3.314 -25.792 -1.513 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.381 -25.634 -1.369 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -3.578 -25.117 -2.138 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -9.746 -31.156 -2.030 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -8.832 -31.077 -1.757 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -9.739 -31.843 -2.697 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 7.031 -35.206 2.730 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 6.305 -35.685 3.128 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 7.612 -35.000 3.462 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 5.674 -34.715 12.932 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 6.257 -35.449 13.123 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 6.238 -33.943 12.978 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 7.171 -36.812 13.616 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 6.308 -37.191 13.451 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 7.775 -37.551 13.542 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -9.328 -41.024 6.335 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -8.883 -41.816 6.637 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -8.862 -40.308 6.766 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -11.024 -38.025 7.404 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -10.532 -38.246 6.614 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -10.662 -37.184 7.685 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -0.669 -26.566 -1.268 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 0.197 -26.200 -1.446 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -0.916 -27.006 -2.081 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 6.040 -27.003 1.412 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 5.846 -27.751 0.847 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 6.001 -26.245 0.828 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -7.715 -26.856 -2.640 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -7.983 -26.569 -1.767 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -6.944 -27.402 -2.488 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 0.808 -34.366 22.448 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 0.897 -33.422 22.316 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 0.169 -34.641 21.790 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 -0.259 -35.111 25.867 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 -0.297 -35.757 26.572 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -0.582 -35.577 25.096 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -7.891 -35.496 27.460 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -7.849 -36.122 28.184 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -7.188 -34.873 27.642 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -10.357 -37.386 21.388 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -10.805 -36.540 21.370 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -10.918 -37.966 20.873 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -9.647 -35.224 23.514 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -9.433 -35.994 24.041 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -8.909 -35.135 22.911 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -5.574 -40.183 23.873 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.531 -39.323 23.455 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -6.032 -40.735 23.240 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -8.954 -37.786 24.635 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -8.300 -38.336 25.067 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -8.930 -38.060 23.719 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -4.195 -33.589 28.235 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -4.935 -32.991 28.338 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -3.481 -33.035 27.919 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -7.170 -39.373 25.900 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -6.557 -38.740 26.273 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -6.658 -39.845 25.243 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 5.056 -32.084 30.128 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 5.196 -32.675 29.389 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 5.224 -31.211 29.772 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -0.471 -35.122 19.900 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -1.183 -34.587 19.549 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 0.220 -35.066 19.240 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -0.417 -36.664 16.939 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 0.284 -36.642 17.590 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -0.115 -37.292 16.283 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 6.898 -35.744 28.194 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 6.246 -35.049 28.283 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 7.363 -35.534 27.384 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 2.935 -34.912 20.852 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 2.203 -34.684 21.425 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 3.382 -35.626 21.307 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 1.806 -35.750 18.537 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 2.385 -35.600 19.284 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 2.220 -35.279 17.814 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -7.253 -34.916 30.314 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -7.183 -34.265 31.012 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -8.144 -34.813 29.979 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 3.283 -34.717 16.167 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 3.325 -34.940 15.237 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 4.132 -34.319 16.357 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.378 -38.090 27.273 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -6.020 -38.131 27.982 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -5.341 -37.164 27.035 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 0.155 -37.453 21.002 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -0.254 -36.638 20.710 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 0.875 -37.593 20.387 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 1.159 -38.007 23.816 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 0.964 -37.402 23.101 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 1.341 -38.841 23.381 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -7.628 -37.770 29.140 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -7.666 -37.370 30.008 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -8.119 -38.587 29.230 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 0.423 -36.369 28.487 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 0.747 -37.000 27.844 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 -0.017 -36.904 29.148 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -2.799 -40.442 23.271 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -3.710 -40.385 23.560 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -2.294 -40.502 24.082 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -7.971 -38.813 22.098 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -8.860 -38.713 21.758 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -7.675 -39.655 21.752 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -4.318 -38.813 19.754 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -3.386 -38.684 19.932 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -4.533 -38.143 19.105 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -5.644 -37.618 17.321 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -6.186 -37.998 16.630 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -4.810 -37.424 16.892 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 4.893 -25.535 32.812 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 5.093 -25.111 31.977 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 5.549 -25.192 33.419 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -1.479 -37.654 25.158 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -0.915 -38.201 24.611 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.627 -38.176 25.947 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -6.477 -41.518 21.576 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -6.794 -42.420 21.541 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -5.696 -41.516 21.024 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -2.853 -39.266 27.572 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -3.688 -38.812 27.682 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -2.329 -38.990 28.324 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 4.841 -33.920 28.043 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 5.483 -33.463 27.500 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 4.011 -33.807 27.581 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -0.789 -32.869 30.494 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -1.135 -33.250 31.300 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -0.989 -31.935 30.565 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 2.307 -38.372 19.117 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 3.199 -38.509 19.436 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 2.364 -37.581 18.580 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -10.176 -35.297 30.341 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -9.953 -35.715 31.173 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -10.778 -35.910 29.919 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -3.159 -35.780 32.554 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -3.455 -35.946 31.659 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -2.228 -36.000 32.544 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 1.461 -30.407 30.444 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 0.560 -30.224 30.176 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 1.495 -30.148 31.365 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 7.156 -32.362 31.648 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 6.304 -32.124 31.281 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 7.746 -32.379 30.895 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.648 -34.568 26.298 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 1.720 -34.800 26.271 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 3.099 -35.345 25.968 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -9.054 -35.378 17.018 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -8.438 -34.751 17.397 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -9.916 -35.062 17.289 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 0.677 -32.329 28.023 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 0.251 -32.556 28.849 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 1.258 -33.067 27.840 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -1.823 -39.423 20.721 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -1.011 -38.919 20.767 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -2.068 -39.568 21.635 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 3.519 -36.779 24.837 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 2.722 -37.194 24.508 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 3.964 -37.470 25.328 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -8.707 -38.187 16.523 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -8.752 -37.248 16.702 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -9.595 -38.423 16.253 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 1.494 -29.553 33.036 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 1.143 -30.409 33.279 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 2.220 -29.410 33.643 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -9.773 -33.042 33.641 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -9.629 -33.944 33.355 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -10.546 -32.756 33.153 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -3.118 -33.072 33.074 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -3.446 -32.801 32.216 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -2.966 -34.013 32.986 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 2.617 -33.156 30.457 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 3.362 -32.568 30.337 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 1.860 -32.574 30.520 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -8.941 -35.842 33.061 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -8.533 -36.699 32.940 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -9.201 -35.827 33.982 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 -4.994 -36.833 30.435 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 -5.612 -36.158 30.716 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 -4.650 -36.512 29.602 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -3.212 -36.483 16.342 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -3.392 -36.637 15.414 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -2.261 -36.375 16.386 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 6.178 -34.128 15.787 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 5.905 -34.553 14.974 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 6.218 -33.197 15.570 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -2.660 -35.669 29.250 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -1.909 -35.825 28.677 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -2.999 -34.817 28.974 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 5.336 -31.516 34.248 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 4.470 -31.621 34.642 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 5.712 -30.757 34.695 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 6.637 -33.259 19.762 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 7.487 -32.838 19.890 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 6.642 -33.999 20.370 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 7.031 -35.206 21.586 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 6.305 -35.685 21.984 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 7.612 -35.000 22.318 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 7.299 -35.305 17.977 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 6.778 -34.948 17.258 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 7.266 -34.630 18.655 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 4.818 -36.685 22.149 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 4.668 -37.630 22.129 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 4.464 -36.404 22.993 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -10.147 -34.607 26.159 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -9.963 -34.689 25.224 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -9.298 -34.731 26.583 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 5.674 -34.715 31.788 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 6.257 -35.449 31.979 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 6.238 -33.943 31.834 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.290 -27.480 32.021 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -1.105 -27.814 32.899 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -0.443 -27.171 31.699 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 5.258 -28.252 32.418 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 4.476 -28.438 31.898 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 5.186 -27.323 32.635 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -9.666 -31.954 38.660 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.938 -31.725 37.771 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -9.621 -31.116 39.120 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 6.694 -29.634 35.583 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 6.767 -28.695 35.753 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 7.599 -29.939 35.526 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -10.586 -30.069 44.879 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -9.640 -30.213 44.860 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -10.699 -29.285 45.416 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -0.996 -26.057 39.243 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -1.071 -26.178 38.297 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -0.963 -25.107 39.362 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -7.342 -27.268 41.024 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -7.190 -27.616 41.903 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -8.193 -27.624 40.769 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 2.106 -26.903 36.246 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 2.481 -27.647 35.775 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 2.110 -27.173 37.164 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -4.698 -27.555 40.408 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -5.648 -27.450 40.460 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -4.347 -26.735 40.753 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 7.384 -26.920 36.154 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 8.127 -26.334 36.014 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 6.689 -26.352 36.487 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -3.029 -30.288 34.400 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -2.790 -31.036 33.852 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -3.298 -30.676 35.232 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -4.092 -30.718 36.856 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.945 -31.238 37.646 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.095 -29.811 37.162 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -7.639 -33.465 37.366 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -8.325 -33.113 37.933 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -7.116 -32.702 37.120 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -1.354 -29.020 37.605 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -2.171 -28.523 37.658 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -0.825 -28.545 36.965 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -4.016 -27.977 37.587 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -3.855 -27.177 37.086 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -4.213 -27.670 38.472 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -7.023 -30.851 36.263 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -6.431 -30.152 36.539 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -6.564 -31.284 35.544 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -8.969 -29.465 40.213 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -9.801 -28.992 40.240 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -8.423 -28.955 39.614 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -0.991 -28.425 34.538 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -1.635 -29.056 34.860 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -0.229 -28.956 34.306 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 3.613 -28.608 34.772 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 3.896 -29.402 35.225 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 4.353 -28.375 34.211 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -5.432 -32.698 34.629 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -5.368 -33.492 35.160 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -4.779 -32.817 33.940 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -0.080 -31.651 34.365 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -0.348 -31.471 35.266 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -0.286 -32.577 34.234 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -3.314 -25.792 36.199 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -2.381 -25.634 36.343 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -3.578 -25.117 35.574 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -9.746 -31.156 35.682 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -8.832 -31.077 35.955 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -9.739 -31.843 35.015 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 -10.227 -27.682 42.564 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 -10.561 -28.563 42.736 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 -10.005 -27.337 43.428 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -8.784 -27.000 44.876 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -8.803 -27.425 45.733 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -7.979 -27.318 44.467 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -6.643 -28.290 43.531 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -6.862 -29.206 43.700 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -5.819 -28.150 43.997 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -0.669 -26.566 36.444 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 0.197 -26.200 36.266 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -0.916 -27.006 35.631 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -7.891 -16.640 -10.252 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -7.849 -17.266 -9.528 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -7.188 -16.017 -10.070 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -6.967 -12.190 -11.717 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -7.337 -12.992 -12.086 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -6.026 -12.359 -11.670 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.870 -13.822 -11.439 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -1.566 -14.508 -12.033 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -1.148 -13.704 -10.821 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -6.764 -22.409 -9.765 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -6.983 -21.879 -10.531 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -7.432 -22.182 -9.117 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -4.195 -14.733 -9.477 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -4.935 -14.135 -9.374 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -3.481 -14.179 -9.793 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 2.832 -17.882 -7.792 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 2.912 -17.119 -7.220 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 2.231 -17.603 -8.483 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -4.053 -11.998 -12.296 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -4.148 -12.576 -13.053 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -3.324 -12.369 -11.800 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 -5.053 -16.657 -11.344 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 -4.488 -16.536 -12.107 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 -4.734 -16.020 -10.705 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -10.337 -13.993 -8.573 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.838 -14.021 -9.388 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -10.331 -14.899 -8.263 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -10.586 -11.213 -11.689 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -9.640 -11.357 -11.708 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -10.699 -10.429 -11.152 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -1.410 -10.973 -7.131 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -1.323 -10.147 -6.656 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -2.274 -11.303 -6.882 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 4.763 -19.054 -5.527 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 4.356 -18.573 -6.247 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 4.804 -19.959 -5.834 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 2.520 -20.722 -7.306 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 2.006 -20.848 -6.509 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 2.365 -19.810 -7.551 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -5.378 -19.234 -10.439 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -6.020 -19.275 -9.730 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -5.341 -18.308 -10.677 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -0.743 -18.422 -5.222 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -1.306 -19.126 -4.902 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 0.083 -18.542 -4.755 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -7.628 -18.914 -8.572 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -7.666 -18.514 -7.704 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -8.119 -19.731 -8.482 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -0.789 -14.013 -7.218 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -1.135 -14.394 -6.412 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -0.989 -13.079 -7.147 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -7.184 -14.902 -12.686 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -6.439 -14.904 -13.287 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -7.106 -15.726 -12.204 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -10.176 -16.441 -7.371 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -9.953 -16.859 -6.539 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -10.778 -17.054 -7.793 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 1.461 -11.551 -7.268 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 0.560 -11.368 -7.536 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 1.495 -11.292 -6.347 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -2.867 -9.572 -9.390 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -2.504 -8.717 -9.623 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -2.335 -9.864 -8.649 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 0.677 -13.473 -9.689 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 0.251 -13.700 -8.863 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 1.258 -14.211 -9.872 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -8.542 -21.688 -7.813 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -9.435 -21.349 -7.880 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -8.641 -22.543 -7.395 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -1.287 -19.581 -7.806 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -1.168 -19.007 -7.049 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -0.632 -20.269 -7.691 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 4.917 -21.674 -6.971 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 4.001 -21.411 -7.059 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 5.253 -21.677 -7.868 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 1.494 -10.697 -4.676 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 1.143 -11.553 -4.433 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 2.220 -10.554 -4.069 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 2.617 -14.300 -7.255 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 3.362 -13.712 -7.375 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 1.860 -13.718 -7.192 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -4.994 -17.977 -7.277 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -5.612 -17.302 -6.996 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -4.650 -17.656 -8.110 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -4.654 -20.622 -6.194 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -4.504 -21.351 -6.797 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -4.652 -19.845 -6.753 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -4.242 -22.252 -8.702 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -3.706 -21.801 -9.354 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -5.094 -22.360 -9.124 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -2.660 -16.813 -8.462 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -1.909 -16.969 -9.035 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -2.999 -15.961 -8.738 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 1.756 -18.998 -3.434 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 1.948 -19.929 -3.545 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 2.613 -18.573 -3.444 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 3.072 -16.209 -5.356 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.791 -15.500 -5.934 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 4.015 -16.282 -5.507 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -2.172 -20.474 -4.707 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -2.408 -20.694 -3.805 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -2.955 -20.681 -5.216 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 0.544 -21.347 -5.631 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -0.404 -21.315 -5.499 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 0.856 -21.972 -4.977 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 2.178 -22.713 -3.626 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 2.081 -23.665 -3.632 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 1.856 -22.444 -2.765 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -3.214 -25.502 -5.599 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -2.502 -26.142 -5.613 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -3.315 -25.235 -6.513 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -2.861 -23.819 -3.545 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -2.992 -24.295 -4.366 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -3.460 -23.075 -3.601 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -11.097 -6.907 -15.809 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -11.744 -7.369 -16.342 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -10.742 -7.579 -15.226 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -10.227 -8.826 -14.004 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -10.561 -9.707 -13.832 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -10.005 -8.481 -13.140 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 5.336 -12.660 -3.464 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 4.470 -12.765 -3.070 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 5.712 -11.901 -3.017 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -10.147 -15.751 -11.553 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -9.963 -15.833 -12.488 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -9.298 -15.875 -11.129 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.674 -15.859 -5.924 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 6.257 -16.593 -5.733 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.238 -15.087 -5.878 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 7.171 -17.956 -5.240 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 6.308 -18.335 -5.405 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 7.775 -18.695 -5.314 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -10.549 -20.480 -5.412 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -9.630 -20.602 -5.176 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -10.999 -21.230 -5.023 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 7.452 -24.948 -3.535 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 7.802 -25.602 -4.141 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 7.599 -24.111 -3.975 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 6.972 -22.839 -5.186 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 6.055 -22.568 -5.222 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 7.095 -23.374 -5.970 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -1.290 -8.624 -5.691 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -1.105 -8.958 -4.813 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -0.443 -8.315 -6.013 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -8.199 -6.767 -8.603 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -8.919 -6.327 -9.054 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -8.565 -7.018 -7.754 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -5.732 -7.167 -9.573 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -6.597 -7.095 -9.169 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -5.787 -6.620 -10.357 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -1.021 -7.279 -10.397 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -1.478 -6.750 -11.051 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -0.858 -6.676 -9.672 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.784 -8.144 -11.692 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -8.803 -8.569 -10.835 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -7.979 -8.462 -12.101 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -6.643 -9.434 -13.037 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -6.862 -10.350 -12.868 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -5.819 -9.294 -12.571 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -4.106 -8.964 -12.189 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -3.893 -9.852 -12.476 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -4.041 -8.998 -11.234 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -8.313 -24.152 -5.705 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -8.679 -24.917 -5.262 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -7.400 -24.123 -5.418 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -6.340 -24.801 -4.169 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -5.441 -25.075 -4.354 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -6.726 -25.544 -3.705 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 0.558 -8.211 5.525 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 1.178 -8.888 5.252 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 0.350 -8.429 6.433 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 3.959 -11.476 7.661 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 3.017 -11.418 7.822 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 4.235 -10.570 7.524 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 2.211 -9.695 4.286 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 2.636 -10.402 3.801 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 2.528 -8.894 3.869 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 3.370 -11.794 2.795 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 3.113 -12.484 2.183 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 3.441 -12.237 3.640 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 5.504 -25.144 -0.506 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 4.605 -25.005 -0.211 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 5.756 -24.313 -0.908 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 6.694 -10.778 -2.129 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 6.767 -9.839 -1.959 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 7.599 -11.083 -2.186 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -0.996 -7.201 1.531 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -1.071 -7.322 0.585 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -0.963 -6.251 1.650 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -7.342 -8.412 3.312 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -7.190 -8.760 4.191 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -8.193 -8.768 3.057 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 2.106 -8.047 -1.466 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 2.481 -8.791 -1.937 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 2.110 -8.317 -0.548 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 1.775 -8.121 1.283 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 0.840 -8.021 1.462 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 2.055 -8.830 1.861 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -1.144 -21.985 -2.019 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -1.398 -21.966 -1.096 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -1.401 -22.857 -2.320 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 4.893 -6.679 13.956 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 5.093 -6.255 13.121 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 5.549 -6.336 14.563 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 1.589 -21.383 -1.400 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 0.651 -21.271 -1.551 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 1.886 -20.526 -1.094 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 5.488 -10.520 0.420 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 5.115 -11.346 0.730 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 5.765 -10.703 -0.477 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -2.867 -9.572 9.466 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -2.504 -8.717 9.233 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -2.335 -9.864 10.207 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -4.698 -8.699 2.696 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -5.648 -8.594 2.748 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -4.347 -7.879 3.041 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 2.880 -12.544 -1.759 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 3.233 -12.924 -0.955 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 1.931 -12.637 -1.673 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 4.606 -8.667 7.603 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 4.450 -7.989 6.946 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 5.538 -8.595 7.806 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -0.991 -9.569 -3.174 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -1.635 -10.200 -2.852 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -0.229 -10.100 -3.406 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 3.613 -9.752 -2.940 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 3.896 -10.546 -2.487 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 4.353 -9.519 -3.501 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 6.178 -15.272 -3.069 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 5.905 -15.697 -3.882 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 6.218 -14.341 -3.286 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -3.314 -6.936 -1.513 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -2.381 -6.778 -1.369 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -3.578 -6.261 -2.138 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 7.322 -8.017 7.832 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 7.300 -7.832 8.771 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 8.012 -7.448 7.491 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 6.885 -8.450 10.754 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 6.398 -9.185 10.383 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 7.434 -8.843 11.432 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 4.896 -21.801 -3.211 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 5.506 -22.173 -2.574 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 4.059 -22.223 -3.015 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 7.452 -24.948 15.321 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 7.802 -25.602 14.715 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 7.599 -24.111 14.881 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 7.008 -22.916 -1.668 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 7.421 -23.637 -2.144 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 7.690 -22.246 -1.610 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 4.060 -7.927 3.404 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 4.713 -8.274 2.796 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 4.571 -7.438 4.050 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -1.290 -8.624 13.165 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -1.105 -8.958 14.043 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -0.443 -8.315 12.843 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 1.055 -7.339 12.409 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 1.732 -7.971 12.169 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.377 -6.937 13.217 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -8.199 -6.767 10.253 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -8.919 -6.327 9.802 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -8.565 -7.018 11.102 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -5.732 -7.167 9.283 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -6.597 -7.095 9.687 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -5.787 -6.620 8.499 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -1.021 -7.279 8.459 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -1.478 -6.750 7.805 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -0.858 -6.676 9.184 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 1.306 -8.401 9.404 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 0.402 -8.236 9.138 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 1.735 -7.548 9.338 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.911 -6.831 9.699 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 3.729 -5.915 9.488 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 4.087 -7.241 8.852 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -8.784 -8.144 7.164 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -8.803 -8.569 8.021 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -7.979 -8.462 6.755 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -6.643 -9.434 5.819 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -6.862 -10.350 5.988 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -5.819 -9.294 6.285 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -4.106 -8.964 6.667 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -3.893 -9.852 6.380 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -4.041 -8.998 7.622 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 3.219 -24.683 0.789 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 2.516 -24.069 0.579 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 2.774 -25.521 0.920 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -2.547 -22.659 0.337 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -2.369 -23.305 1.020 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -2.601 -21.825 0.804 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -0.669 -7.710 -1.268 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 0.197 -7.344 -1.446 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -0.916 -8.150 -2.081 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -6.967 -12.190 25.995 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -7.337 -12.992 25.626 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -6.026 -12.359 26.042 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 7.185 -20.743 29.370 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 6.496 -20.085 29.275 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 7.200 -20.940 30.307 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -4.195 -14.733 28.235 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -4.935 -14.135 28.338 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -3.481 -14.179 27.919 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -5.787 -12.769 29.022 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -5.793 -11.890 28.644 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -6.641 -12.852 29.447 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.056 -13.228 30.128 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 5.196 -13.819 29.389 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 5.224 -12.355 29.772 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 6.898 -16.888 28.194 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 6.246 -16.193 28.283 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 7.363 -16.678 27.384 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -4.053 -11.998 25.416 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -4.148 -12.576 24.659 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -3.324 -12.369 25.912 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -4.173 -12.258 31.085 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -4.485 -11.476 31.541 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -4.823 -12.411 30.399 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -10.586 -11.213 26.023 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.640 -11.357 26.004 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -10.699 -10.429 26.560 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -1.410 -10.973 30.581 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -1.323 -10.147 31.056 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -2.274 -11.303 30.830 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 -7.342 -8.412 22.168 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 -7.190 -8.760 23.047 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 -8.193 -8.768 21.913 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -8.088 -12.670 30.182 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -7.871 -13.031 31.042 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -8.943 -13.044 29.972 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -7.509 -14.205 32.420 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -6.776 -13.951 32.981 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -8.289 -14.001 32.935 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -0.789 -14.013 30.494 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -1.135 -14.394 31.300 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -0.989 -13.079 30.565 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -7.184 -14.902 25.026 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -6.439 -14.904 24.425 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -7.106 -15.726 25.508 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 1.461 -11.551 30.444 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 0.560 -11.368 30.176 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 1.495 -11.292 31.365 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 7.156 -13.506 31.648 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 6.304 -13.268 31.281 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 7.746 -13.523 30.895 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -4.809 -11.384 22.431 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -4.282 -10.611 22.230 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -5.689 -11.159 22.129 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -2.867 -9.572 28.322 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -2.504 -8.717 28.089 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -2.335 -9.864 29.063 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -4.698 -8.699 21.552 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -5.648 -8.594 21.604 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -4.347 -7.879 21.897 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 3.336 -8.921 30.492 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 2.734 -9.476 29.997 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 3.617 -8.254 29.866 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 7.384 -8.064 17.298 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 8.127 -7.478 17.158 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 6.689 -7.496 17.631 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -8.891 -9.883 28.334 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -8.674 -10.815 28.303 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -8.644 -9.609 29.218 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 4.606 -8.667 26.459 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 4.450 -7.989 25.802 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 5.538 -8.595 26.662 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -8.969 -10.609 21.357 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -9.801 -10.136 21.384 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -8.423 -10.099 20.758 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 1.494 -10.697 33.036 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 1.143 -11.553 33.279 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 2.220 -10.554 33.643 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -9.773 -14.186 33.641 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -9.629 -15.088 33.355 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -10.546 -13.900 33.153 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -3.118 -14.216 33.074 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -3.446 -13.945 32.216 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -2.966 -15.157 32.986 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 2.617 -14.300 30.457 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 3.362 -13.712 30.337 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 1.860 -13.718 30.520 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 0.026 -15.506 33.713 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 0.979 -15.422 33.685 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -0.134 -16.217 34.332 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -3.314 -6.936 17.343 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -2.381 -6.778 17.487 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -3.578 -6.261 16.718 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -11.097 -6.907 21.903 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -11.744 -7.369 21.370 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -10.742 -7.579 22.486 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -10.227 -8.826 23.708 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -10.561 -9.707 23.880 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -10.005 -8.481 24.572 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 7.322 -8.017 26.688 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 7.300 -7.832 27.627 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 8.012 -7.448 26.347 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 5.277 -10.687 28.841 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 4.629 -10.362 29.466 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 4.759 -11.127 28.166 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 5.674 -15.859 31.788 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 6.257 -16.593 31.979 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 6.238 -15.087 31.834 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 7.171 -17.956 32.472 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 6.308 -18.335 32.307 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 7.775 -18.695 32.398 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -8.555 -10.998 32.803 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -9.376 -10.823 32.343 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -8.807 -11.071 33.724 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -1.021 -7.279 27.315 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -1.478 -6.750 26.661 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -0.858 -6.676 28.040 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 1.306 -8.401 28.260 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 0.402 -8.236 27.994 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 1.735 -7.548 28.194 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 3.911 -6.831 28.555 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 3.729 -5.915 28.344 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 4.087 -7.241 27.708 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -6.643 -9.434 24.675 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -6.862 -10.350 24.844 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -5.819 -9.294 25.141 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -4.106 -8.964 25.523 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -3.893 -9.852 25.236 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -4.041 -8.998 26.478 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -9.533 -8.920 19.191 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -10.218 -8.958 18.523 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -9.530 -8.007 19.479 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -0.669 -7.710 17.588 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 0.197 -7.344 17.410 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -0.916 -8.150 16.775 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 6.040 -8.147 20.268 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 5.846 -8.895 19.703 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 6.001 -7.389 19.684 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 2.082 -25.469 33.725 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 2.158 -25.895 34.579 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 2.975 -25.455 33.383 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -10.357 -18.530 40.244 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -10.805 -17.684 40.226 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -10.918 -19.110 39.729 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -0.471 -16.266 38.756 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -1.183 -15.731 38.405 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 0.220 -16.210 38.096 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 1.806 -16.894 37.393 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 2.385 -16.744 38.140 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 2.220 -16.423 36.670 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 5.504 -25.144 37.206 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 4.605 -25.005 37.501 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 5.756 -24.313 36.804 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -6.430 -16.356 39.180 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -6.722 -15.588 38.689 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -7.104 -17.016 39.017 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 3.283 -15.861 35.023 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 3.325 -16.084 34.093 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 4.132 -15.463 35.213 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -5.381 -19.013 41.041 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -6.274 -19.354 40.982 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -4.930 -19.390 40.285 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 0.155 -18.597 39.858 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -0.254 -17.782 39.566 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 0.875 -18.737 39.243 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -11.020 -21.798 41.846 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -10.389 -21.827 42.566 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -10.570 -22.223 41.116 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -9.745 -21.052 37.270 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -9.271 -20.461 36.685 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -10.463 -20.521 37.617 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -2.799 -21.586 42.127 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -3.710 -21.529 42.416 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -2.294 -21.646 42.938 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -7.971 -19.957 40.954 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -8.860 -19.857 40.614 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -7.675 -20.799 40.608 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -4.318 -19.957 38.610 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -3.386 -19.828 38.788 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -4.533 -19.287 37.961 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -6.477 -22.662 40.432 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -6.794 -23.564 40.397 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -5.696 -22.660 39.880 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -2.309 -14.197 38.113 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -3.053 -14.704 37.790 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -2.443 -14.148 39.059 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 1.589 -21.383 36.312 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 0.651 -21.271 36.161 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 1.886 -20.526 36.618 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 2.307 -19.516 37.973 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 3.199 -19.653 38.292 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 2.364 -18.725 37.436 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -0.183 -12.738 37.138 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -0.478 -11.912 37.520 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -0.886 -13.358 37.334 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -9.054 -16.522 35.874 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -8.438 -15.895 36.253 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -9.916 -16.206 36.145 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -7.639 -14.609 37.366 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -8.325 -14.257 37.933 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -7.116 -13.846 37.120 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 0.977 -22.295 38.742 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 1.197 -21.823 37.939 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 1.535 -21.900 39.413 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -1.823 -20.567 39.577 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -1.011 -20.063 39.623 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -2.068 -20.712 40.491 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -0.939 -23.486 40.515 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -1.286 -22.868 41.160 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -0.281 -22.985 40.034 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -8.707 -19.331 35.379 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -8.752 -18.392 35.558 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -9.595 -19.567 35.109 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -7.899 -24.549 44.052 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -8.128 -24.490 43.125 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -8.342 -25.341 44.359 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -5.432 -13.842 34.629 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -5.368 -14.636 35.160 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -4.779 -13.961 33.940 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -0.080 -12.795 34.365 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -0.348 -12.615 35.266 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -0.286 -13.721 34.234 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.283 -15.870 36.935 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.742 -16.354 37.621 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -4.028 -16.538 36.299 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 6.178 -15.272 34.643 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 5.905 -15.697 33.830 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 6.218 -14.341 34.426 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -9.746 -12.300 35.682 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -8.832 -12.221 35.955 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -9.739 -12.987 35.015 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 5.648 -19.209 35.384 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 5.745 -18.542 34.704 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 5.508 -20.025 34.902 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 4.896 -21.801 34.501 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 5.506 -22.173 35.138 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 4.059 -22.223 34.697 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 7.008 -22.916 36.044 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 7.421 -23.637 35.568 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 7.690 -22.246 36.102 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -10.711 -22.911 39.171 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -11.636 -22.702 39.041 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -10.257 -22.427 38.481 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -8.271 -24.666 41.346 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -9.048 -24.900 40.838 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -7.740 -25.463 41.354 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -3.691 -24.739 41.159 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -2.817 -24.351 41.129 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -3.827 -24.954 42.082 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 3.219 -24.683 38.501 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 2.516 -24.069 38.291 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 2.774 -25.521 38.632 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -2.547 -22.659 38.049 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -2.369 -23.305 38.732 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -2.601 -21.825 38.516 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -7.891 2.216 -10.252 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -7.849 1.590 -9.528 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -7.188 2.839 -10.070 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -6.967 6.666 -11.717 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -7.337 5.864 -12.086 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -6.026 6.497 -11.670 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -9.647 2.488 -14.198 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -9.433 1.718 -13.671 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -8.909 2.577 -14.801 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -8.954 -0.074 -13.077 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.300 -0.624 -12.645 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -8.930 -0.348 -13.993 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -6.764 -3.553 -9.765 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -6.983 -3.023 -10.531 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -7.432 -3.326 -9.117 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -7.170 -1.661 -11.812 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -6.557 -1.028 -11.439 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -6.658 -2.133 -12.469 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 -7.253 2.796 -7.398 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -7.183 3.447 -6.700 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -8.144 2.899 -7.733 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -10.586 7.643 -11.689 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -9.640 7.499 -11.708 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -10.699 8.427 -11.152 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -8.088 6.186 -7.530 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -7.871 5.825 -6.670 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -8.943 5.812 -7.740 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 -5.469 -5.344 -11.534 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -6.330 -5.431 -11.942 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 -5.491 -4.488 -11.107 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -7.628 -0.058 -8.572 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -7.666 0.342 -7.704 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -8.119 -0.875 -8.482 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -11.020 -2.942 -14.722 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -10.389 -2.971 -14.002 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -10.570 -3.367 -15.452 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -7.509 4.651 -5.292 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -6.776 4.905 -4.731 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -8.289 4.855 -4.777 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -7.184 3.954 -12.686 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -6.439 3.952 -13.287 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -7.106 3.130 -12.204 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -10.176 2.415 -7.371 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -9.953 1.997 -6.539 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -10.778 1.802 -7.793 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -8.542 -2.832 -7.813 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -9.435 -2.493 -7.880 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -8.641 -3.687 -7.395 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -8.891 8.973 -9.378 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -8.674 8.041 -9.409 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -8.644 9.247 -8.494 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -7.899 -5.693 -12.516 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -8.128 -5.634 -13.443 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -8.342 -6.485 -12.209 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -9.773 4.670 -4.071 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -9.629 3.768 -4.357 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -10.546 4.956 -4.559 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -8.941 1.870 -4.651 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -8.533 1.013 -4.772 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -9.201 1.885 -3.730 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -6.176 -0.568 -4.283 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -6.943 -1.100 -4.493 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -5.497 -0.878 -4.882 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -3.436 -5.940 -8.270 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -3.534 -4.993 -8.376 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -4.179 -6.312 -8.746 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -7.995 -2.647 -4.578 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -7.784 -3.354 -5.189 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -8.107 -3.085 -3.734 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -3.214 -6.646 -5.599 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.502 -7.286 -5.613 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -3.315 -6.379 -6.513 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -2.861 -4.963 -3.545 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -2.992 -5.439 -4.366 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -3.460 -4.219 -3.601 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -10.147 3.105 -11.553 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -9.963 3.023 -12.488 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -9.298 2.981 -11.129 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -9.328 -3.312 -12.521 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -8.883 -4.104 -12.219 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -8.862 -2.596 -12.090 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -11.024 -0.313 -11.452 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -10.532 -0.534 -12.242 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -10.662 0.528 -11.171 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -10.711 -4.055 -17.397 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -11.636 -3.846 -17.527 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -10.257 -3.571 -18.087 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -8.271 -5.810 -15.222 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -9.048 -6.044 -15.730 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -7.740 -6.607 -15.214 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -8.313 -5.296 -5.705 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -8.679 -6.061 -5.262 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -7.400 -5.267 -5.418 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -6.340 -5.945 -4.169 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -5.441 -6.219 -4.354 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -6.726 -6.688 -3.705 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 2.082 -6.613 -3.987 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 2.158 -7.039 -3.133 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 2.975 -6.599 -4.329 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -10.357 0.326 2.532 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -10.805 1.172 2.514 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -10.918 -0.254 2.017 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -9.666 5.758 0.948 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -9.938 5.987 0.059 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -9.621 6.596 1.408 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -2.738 -6.247 6.544 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -2.855 -7.196 6.490 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -3.593 -5.915 6.817 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -5.469 -5.344 7.322 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -6.330 -5.431 6.914 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.491 -4.488 7.749 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -11.020 -2.942 4.134 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -10.389 -2.971 4.854 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -10.570 -3.367 3.404 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -9.745 -2.196 -0.442 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -9.271 -1.605 -1.027 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -10.463 -1.665 -0.095 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -7.971 -1.101 3.242 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -8.860 -1.001 2.902 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -7.675 -1.943 2.896 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -5.644 0.094 -1.535 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -6.186 -0.286 -2.226 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -4.810 0.288 -1.964 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -6.477 -3.806 2.720 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -6.794 -4.708 2.685 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -5.696 -3.804 2.168 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -9.054 2.334 -1.838 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -8.438 2.961 -1.459 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -9.916 2.650 -1.567 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -7.639 4.247 -0.346 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -8.325 4.599 0.221 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -7.116 5.010 -0.592 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -5.282 -3.567 -0.509 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -5.365 -2.678 -0.163 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -4.392 -3.832 -0.278 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -8.707 -0.475 -2.333 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -8.752 0.464 -2.154 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -9.595 -0.711 -2.603 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -7.899 -5.693 6.340 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -8.128 -5.634 5.413 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -8.342 -6.485 6.647 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 -3.436 -5.940 10.586 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -3.534 -4.993 10.480 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 -4.179 -6.312 10.110 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 2.178 -3.857 15.230 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.081 -4.809 15.224 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.856 -3.588 16.091 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -3.214 -6.646 13.257 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -2.502 -7.286 13.243 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -3.315 -6.379 12.343 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -2.861 -4.963 15.311 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -2.992 -5.439 14.490 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -3.460 -4.219 15.255 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -9.746 6.556 -2.030 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -8.832 6.635 -1.757 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -9.739 5.869 -2.697 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 7.452 -6.092 15.321 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 7.802 -6.746 14.715 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 7.599 -5.255 14.881 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -9.328 -3.312 6.335 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -8.883 -4.104 6.637 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -8.862 -2.596 6.766 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -10.747 -5.317 9.803 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -11.412 -5.563 10.446 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -11.190 -4.695 9.226 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 5.973 -5.893 11.489 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 5.160 -5.568 11.101 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 6.206 -6.653 10.956 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 -8.271 -5.810 3.634 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -9.048 -6.044 3.126 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 -7.740 -6.607 3.642 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -3.691 -5.883 3.447 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -2.817 -5.495 3.417 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -3.827 -6.098 4.370 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -7.573 -4.096 -2.120 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -7.082 -4.726 -2.648 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -6.950 -3.800 -1.457 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -8.313 -5.296 13.151 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -8.679 -6.061 13.594 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -7.400 -5.267 13.438 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -6.340 -5.945 14.687 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -5.441 -6.219 14.502 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -6.726 -6.688 15.151 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 2.082 -6.613 14.869 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 2.158 -7.039 15.723 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 2.975 -6.599 14.527 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 1.271 -0.572 26.601 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 1.414 -1.519 26.621 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 1.165 -0.365 25.672 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -5.574 -2.471 23.873 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -5.531 -1.611 23.455 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -6.032 -3.023 23.240 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 2.148 -2.340 22.274 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 2.794 -2.669 22.899 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 2.658 -1.822 21.651 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 3.912 -3.049 24.255 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 3.697 -3.815 24.787 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 4.568 -2.577 24.768 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 4.259 -4.334 27.934 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 3.523 -3.723 27.896 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 4.943 -3.919 27.408 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -2.738 -6.247 25.400 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -2.855 -7.196 25.346 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -3.593 -5.915 25.673 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 5.504 -6.288 18.350 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 4.605 -6.149 18.645 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 5.756 -5.457 17.948 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -5.469 -5.344 26.178 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -6.330 -5.431 25.770 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -5.491 -4.488 26.605 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -0.806 -5.622 29.552 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.386 -6.037 30.305 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -1.739 -5.800 29.669 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 -1.144 -3.129 16.837 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 -1.398 -3.110 17.760 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 -1.401 -4.001 16.536 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 0.155 0.259 21.002 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 -0.254 1.074 20.710 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 0.875 0.119 20.387 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 1.159 -0.295 23.816 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 0.964 0.310 23.101 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 1.341 -1.129 23.381 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -2.799 -2.730 23.271 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -3.710 -2.673 23.560 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -2.294 -2.790 24.082 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 1.606 -3.495 26.535 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 0.929 -3.364 27.199 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 1.120 -3.650 25.725 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -1.479 0.058 25.158 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -0.915 -0.489 24.611 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -1.627 -0.464 25.947 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -6.477 -3.806 21.576 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -6.794 -4.708 21.541 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -5.696 -3.804 21.024 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -2.853 -1.554 27.572 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -3.688 -1.100 27.682 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -2.329 -1.278 28.324 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 1.589 -2.527 17.456 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 0.651 -2.415 17.305 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 1.886 -1.670 17.762 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 2.307 -0.660 19.117 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 3.199 -0.797 19.436 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 2.364 0.131 18.580 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 0.193 -3.091 28.789 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 0.891 -3.017 29.439 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 -0.188 -3.955 28.944 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 0.977 -3.439 19.886 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 1.197 -2.967 19.083 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 1.535 -3.044 20.557 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -1.823 -1.711 20.721 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -1.011 -1.207 20.767 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -2.068 -1.856 21.635 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -3.436 -5.940 29.442 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -3.534 -4.993 29.336 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -4.179 -6.312 28.966 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 4.528 -1.390 20.611 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 4.808 -2.297 20.736 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 5.287 -0.956 20.222 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 5.142 -4.127 20.660 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 5.324 -4.576 21.485 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 4.542 -4.712 20.196 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 4.545 -6.337 24.780 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 5.149 -5.789 24.279 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 3.676 -6.017 24.540 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 6.272 -5.198 23.114 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 6.884 -5.712 22.587 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 6.655 -4.320 23.137 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 -9.434 -6.012 18.293 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -8.995 -5.401 17.702 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -10.068 -5.474 18.767 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -3.691 -5.883 22.303 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -2.817 -5.495 22.273 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -3.827 -6.098 23.226 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 3.219 -5.827 19.645 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 2.516 -5.213 19.435 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 2.774 -6.665 19.776 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -7.573 -4.096 16.736 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -7.082 -4.726 16.208 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -6.950 -3.800 17.399 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -2.547 -3.803 19.193 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -2.369 -4.449 19.876 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -2.601 -2.969 19.660 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 10.965 -35.496 8.604 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 11.007 -36.122 9.328 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 11.668 -34.873 8.786 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 11.889 -31.046 7.139 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 11.519 -31.848 6.770 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 12.830 -31.215 7.186 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 9.209 -35.224 4.658 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 9.423 -35.994 5.185 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 9.947 -35.135 4.055 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 14.661 -33.589 9.379 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 13.921 -32.991 9.482 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 15.375 -33.035 9.063 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.069 -31.625 10.166 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 13.063 -30.746 9.788 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 12.215 -31.708 10.591 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 14.803 -30.854 6.560 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 14.708 -31.432 5.803 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 15.532 -31.225 7.056 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 14.683 -31.114 12.229 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 14.371 -30.332 12.685 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 14.033 -31.267 11.543 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 11.603 -34.916 11.458 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.673 -34.265 12.156 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 10.712 -34.813 11.123 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 12.922 -29.042 12.993 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 12.930 -29.178 12.045 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 12.006 -29.160 13.245 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 11.514 -27.268 3.312 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 11.666 -27.616 4.191 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 10.663 -27.624 3.057 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 10.768 -31.526 11.326 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 10.985 -31.887 12.186 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 9.913 -31.900 11.116 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.347 -33.061 13.564 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 12.080 -32.807 14.125 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 10.567 -32.857 14.079 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 11.672 -33.758 6.170 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 12.417 -33.760 5.569 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 11.750 -34.582 6.652 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 8.680 -35.297 11.485 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 8.903 -35.715 12.317 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 8.078 -35.910 11.063 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 9.887 -29.465 2.501 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 9.055 -28.992 2.528 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 10.433 -28.955 1.902 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 9.176 -26.852 13.831 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 9.716 -27.069 14.590 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 8.695 -27.658 13.641 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 13.773 -27.933 15.451 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 14.541 -28.392 15.792 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 13.752 -28.159 14.521 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.083 -33.042 14.785 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 9.227 -33.944 14.499 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 8.310 -32.756 14.297 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 9.915 -35.842 14.205 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 10.323 -36.699 14.084 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 9.655 -35.827 15.126 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 7.759 -25.763 3.047 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 7.112 -26.225 2.514 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 8.114 -26.435 3.630 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 8.629 -27.682 4.852 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 8.295 -28.563 5.024 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 8.851 -27.337 5.716 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 8.709 -34.607 7.303 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.893 -34.689 6.368 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 9.558 -34.731 7.727 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 10.301 -29.854 13.947 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 9.480 -29.679 13.487 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 10.049 -29.927 14.868 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 13.255 -28.879 10.206 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 12.830 -28.070 9.923 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 14.160 -28.794 9.904 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 10.657 -25.623 10.253 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 9.937 -25.183 9.802 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 10.291 -25.874 11.102 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 13.124 -26.023 9.283 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 12.259 -25.951 9.687 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 13.069 -25.476 8.499 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 12.213 -28.290 5.819 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 11.994 -29.206 5.988 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 13.037 -28.150 6.285 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 14.750 -27.820 6.667 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.963 -28.708 6.380 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 14.815 -27.854 7.622 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 9.323 -27.776 0.335 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 8.638 -27.814 -0.333 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 9.326 -26.863 0.623 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 10.965 -35.496 27.460 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 11.007 -36.122 28.184 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 11.668 -34.873 27.642 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 11.889 -31.046 25.995 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 11.519 -31.848 25.626 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 12.830 -31.215 26.042 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 9.209 -35.224 23.514 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 9.423 -35.994 24.041 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 9.947 -35.135 22.911 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 13.069 -31.625 29.022 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 13.063 -30.746 28.644 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 12.215 -31.708 29.447 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 9.190 -31.954 19.804 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.918 -31.725 18.915 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 9.235 -31.116 20.264 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 14.803 -30.854 25.416 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 14.708 -31.432 24.659 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 15.532 -31.225 25.912 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 14.683 -31.114 31.085 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 14.371 -30.332 31.541 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 14.033 -31.267 30.399 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.603 -34.916 30.314 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.673 -34.265 31.012 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.712 -34.813 29.979 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 12.922 -29.042 31.849 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 12.930 -29.178 30.901 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 12.006 -29.160 32.101 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 8.519 -32.849 29.139 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 8.018 -32.877 28.324 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 8.525 -33.755 29.449 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 11.514 -27.268 22.168 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 11.666 -27.616 23.047 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 10.663 -27.624 21.913 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 10.768 -31.526 30.182 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 10.985 -31.887 31.042 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 9.913 -31.900 29.972 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 11.347 -33.061 32.420 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 12.080 -32.807 32.981 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 10.567 -32.857 32.935 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.672 -33.758 25.026 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 12.417 -33.760 24.425 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 11.750 -34.582 25.508 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 8.680 -35.297 30.341 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.903 -35.715 31.173 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 8.078 -35.910 29.919 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 14.047 -30.240 22.431 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 14.574 -29.467 22.230 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 13.167 -30.015 22.129 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.802 -35.378 17.018 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 10.418 -34.751 17.397 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.940 -35.062 17.289 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 15.989 -28.428 28.322 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 16.352 -27.573 28.089 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 16.521 -28.720 29.063 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 14.158 -27.555 21.552 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 13.208 -27.450 21.604 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 14.509 -26.735 21.897 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 11.217 -33.465 18.510 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.531 -33.113 19.077 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 11.740 -32.702 18.264 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.833 -30.851 17.407 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 12.425 -30.152 17.683 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 12.292 -31.284 16.688 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 13.773 -27.933 34.307 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.541 -28.392 34.648 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 13.752 -28.159 33.377 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 9.083 -33.042 33.641 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 9.227 -33.944 33.355 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 8.310 -32.756 33.153 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.424 -32.698 15.773 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.488 -33.492 16.304 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 14.077 -32.817 15.084 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 8.709 -34.607 26.159 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 8.893 -34.689 25.224 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 9.558 -34.731 26.583 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 13.255 -28.879 29.062 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 12.830 -28.070 28.779 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 14.160 -28.794 28.760 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 13.124 -26.023 28.139 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 12.259 -25.951 28.543 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 13.069 -25.476 27.355 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 12.213 -28.290 24.675 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 11.994 -29.206 24.844 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.037 -28.150 25.141 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 14.750 -27.820 25.523 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 14.963 -28.708 25.236 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 14.815 -27.854 26.478 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.141 -26.856 16.216 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 10.873 -26.569 17.089 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 11.912 -27.402 16.368 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.833 -30.851 36.263 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 12.425 -30.152 36.539 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 12.292 -31.284 35.544 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 13.424 -32.698 34.629 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 13.488 -33.492 35.160 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 14.077 -32.817 33.940 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 15.542 -25.792 36.199 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 16.475 -25.634 36.343 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 15.278 -25.117 35.574 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.110 -31.156 35.682 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 10.024 -31.077 35.955 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 9.117 -31.843 35.015 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 9.323 -27.776 38.047 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 8.638 -27.814 37.379 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.326 -26.863 38.335 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 9.083 -14.186 -4.071 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 9.227 -15.088 -4.357 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 8.310 -13.900 -4.559 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 9.915 -16.986 -4.651 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 10.323 -17.843 -4.772 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 9.655 -16.971 -3.730 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 8.307 -20.480 -5.412 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 9.226 -20.602 -5.176 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 7.857 -21.230 -5.023 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.889 -12.190 7.139 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.519 -12.992 6.770 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.830 -12.359 7.186 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 15.058 -17.380 4.995 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 15.674 -17.906 5.504 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 14.472 -18.020 4.591 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 14.661 -14.733 9.379 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 13.921 -14.135 9.482 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 15.375 -14.179 9.063 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 13.069 -12.769 10.166 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 13.063 -11.890 9.788 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 12.215 -12.852 10.591 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 9.190 -13.098 0.948 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 8.918 -12.869 0.059 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 9.235 -12.260 1.408 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 16.118 -25.103 6.544 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 16.001 -26.052 6.490 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 15.263 -24.771 6.817 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 13.436 -15.426 3.879 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 13.106 -15.796 3.060 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 14.024 -16.096 4.225 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 13.803 -16.657 7.512 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 14.368 -16.536 6.749 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.122 -16.020 8.151 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 11.603 -16.060 11.458 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.673 -15.409 12.156 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 10.712 -15.957 11.123 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 12.922 -10.186 12.993 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 12.930 -10.322 12.045 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 12.006 -10.304 13.245 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 12.426 -16.356 1.468 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 12.134 -15.588 0.977 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.752 -17.016 1.305 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 8.270 -11.213 7.167 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 9.216 -11.357 7.148 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 8.157 -10.429 7.704 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 10.768 -12.670 11.326 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.985 -13.031 12.186 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 9.913 -13.044 11.116 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.387 -24.200 7.322 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 12.526 -24.287 6.914 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 13.365 -23.344 7.749 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 13.475 -19.013 3.329 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 12.582 -19.354 3.270 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 13.926 -19.390 2.573 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 9.111 -21.052 -0.442 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 9.585 -20.461 -1.027 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 8.393 -20.521 -0.095 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 16.057 -21.586 4.415 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 15.146 -21.529 4.704 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 16.562 -21.646 5.226 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 14.538 -19.957 0.898 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 15.470 -19.828 1.076 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 14.323 -19.287 0.249 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 13.212 -18.762 -1.535 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.670 -19.142 -2.226 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 14.046 -18.568 -1.964 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 11.347 -14.205 13.564 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 12.080 -13.951 14.125 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 10.567 -14.001 14.079 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 17.377 -18.798 6.302 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 17.941 -19.345 5.755 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 17.229 -19.320 7.091 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 12.379 -22.662 2.720 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 12.062 -23.564 2.685 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 13.160 -22.660 2.168 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 16.003 -20.410 8.716 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 15.168 -19.956 8.826 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 16.527 -20.134 9.468 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 11.672 -14.902 6.170 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 12.417 -14.904 5.569 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 11.750 -15.726 6.652 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 15.697 -16.924 13.698 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 15.401 -17.090 12.803 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 16.628 -17.144 13.688 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.802 -16.522 -1.838 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 10.418 -15.895 -1.459 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.940 -16.206 -1.567 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 9.965 -9.883 9.478 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 10.182 -10.815 9.447 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.212 -9.609 10.362 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 11.217 -14.609 -0.346 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.531 -14.257 0.221 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.740 -13.846 -0.592 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 13.574 -22.423 -0.509 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 13.491 -21.534 -0.163 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 14.464 -22.688 -0.278 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 10.149 -19.331 -2.333 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.104 -18.392 -2.154 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.261 -19.567 -2.603 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 10.957 -24.549 6.340 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.728 -24.490 5.413 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 10.514 -25.341 6.647 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 9.176 -7.996 13.831 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 9.716 -8.213 14.590 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 8.695 -8.802 13.641 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 15.738 -14.216 14.218 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 15.410 -13.945 13.360 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 15.890 -15.157 14.130 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 13.862 -17.977 11.579 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 13.244 -17.302 11.860 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 14.206 -17.656 10.746 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 14.202 -20.622 12.662 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 14.352 -21.351 12.059 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 14.204 -19.845 12.103 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 14.614 -22.252 10.154 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 15.150 -21.801 9.502 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 13.762 -22.360 9.732 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 16.196 -16.813 10.394 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 16.947 -16.969 9.821 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 15.857 -15.961 10.118 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 12.680 -19.424 14.573 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.913 -19.956 14.363 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.359 -19.734 13.974 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 15.420 -24.796 10.586 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 15.322 -23.849 10.480 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 14.677 -25.168 10.110 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 9.110 -12.300 -2.030 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 10.024 -12.221 -1.757 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.117 -12.987 -2.697 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.709 -15.751 7.303 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.893 -15.833 6.368 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 9.558 -15.875 7.727 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.145 -22.911 1.459 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 7.220 -22.702 1.329 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 8.599 -22.427 0.769 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 10.301 -10.998 13.947 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 9.480 -10.823 13.487 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 10.049 -11.071 14.868 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.255 -10.023 10.206 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.830 -9.214 9.923 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 14.160 -9.938 9.904 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 10.072 -8.144 7.164 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 10.053 -8.569 8.021 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 10.877 -8.462 6.755 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 10.585 -24.666 3.634 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 9.808 -24.900 3.126 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 11.116 -25.463 3.642 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 9.422 -24.868 -0.563 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 9.861 -24.257 -1.154 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 8.788 -24.330 -0.089 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 15.165 -24.739 3.447 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 16.039 -24.351 3.417 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 15.029 -24.954 4.370 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 10.543 -24.152 13.151 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 10.177 -24.917 13.594 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 11.456 -24.123 13.438 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 12.516 -24.801 14.687 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.415 -25.075 14.502 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.130 -25.544 15.151 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 10.965 -16.640 27.460 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 11.007 -17.266 28.184 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 11.668 -16.017 27.642 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.889 -12.190 25.995 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 11.519 -12.992 25.626 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 12.830 -12.359 26.042 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 8.499 -18.530 21.388 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 8.051 -17.684 21.370 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 7.938 -19.110 20.873 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.209 -16.368 23.514 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.423 -17.138 24.041 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 9.947 -16.279 22.911 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 9.902 -18.930 24.635 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 10.556 -19.480 25.067 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 9.926 -19.204 23.719 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 12.092 -22.409 27.947 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 11.873 -21.879 27.181 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 11.424 -22.182 28.595 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 11.686 -20.517 25.900 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 12.299 -19.884 26.273 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 12.198 -20.989 25.243 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 13.436 -15.426 22.735 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 13.106 -15.796 21.916 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 14.024 -16.096 23.081 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 12.426 -16.356 20.324 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 12.134 -15.588 19.833 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 11.752 -17.016 20.161 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 8.519 -13.993 29.139 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.018 -14.021 28.324 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 8.525 -14.899 29.449 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 8.270 -11.213 26.023 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 9.216 -11.357 26.004 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 8.157 -10.429 26.560 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 11.514 -8.412 22.168 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 11.666 -8.760 23.047 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 10.663 -8.768 21.913 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 13.387 -24.200 26.178 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 12.526 -24.287 25.770 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 13.365 -23.344 26.605 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 13.475 -19.013 22.185 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 12.582 -19.354 22.126 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 13.926 -19.390 21.429 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 11.228 -18.914 29.140 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 11.190 -18.514 30.008 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 10.737 -19.731 29.230 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 14.594 -21.540 15.938 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 14.163 -21.985 16.668 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 13.876 -21.168 15.426 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 7.836 -21.798 22.990 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 8.467 -21.827 23.710 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 8.286 -22.223 22.260 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 9.111 -21.052 18.414 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 9.585 -20.461 17.829 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 8.393 -20.521 18.761 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 10.885 -19.957 22.098 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 9.996 -19.857 21.758 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 11.181 -20.799 21.752 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 14.538 -19.957 19.754 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 15.470 -19.828 19.932 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 14.323 -19.287 19.105 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 13.212 -18.762 17.321 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 12.670 -19.142 16.630 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 14.046 -18.568 16.892 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 16.547 -14.197 19.257 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 15.803 -14.704 18.934 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 16.413 -14.148 20.203 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 11.672 -14.902 25.026 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 12.417 -14.904 24.425 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 11.750 -15.726 25.508 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 8.680 -16.441 30.341 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 8.903 -16.859 31.173 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 8.078 -17.054 29.919 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 14.047 -11.384 22.431 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 14.574 -10.611 22.230 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 13.167 -11.159 22.129 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 15.474 -13.721 22.007 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 15.233 -12.796 22.049 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 14.734 -14.180 22.403 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 10.314 -21.688 29.899 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 9.421 -21.349 29.832 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 10.215 -22.543 30.317 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 14.764 -11.862 18.000 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 14.911 -12.382 18.790 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 14.761 -10.955 18.306 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 13.574 -22.423 18.347 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 13.491 -21.534 18.693 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 14.464 -22.688 18.578 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 11.833 -11.995 17.407 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 12.425 -11.296 17.683 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 12.292 -12.428 16.688 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.957 -24.549 25.196 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 10.728 -24.490 24.269 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 10.514 -25.341 25.503 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.887 -10.609 21.357 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 9.055 -10.136 21.384 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 10.433 -10.099 20.758 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 13.424 -13.842 15.773 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 13.488 -14.636 16.304 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 14.077 -13.961 15.084 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 14.573 -15.870 18.079 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 14.114 -16.354 18.765 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 14.828 -16.538 17.443 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 15.644 -17.627 16.342 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 15.464 -17.781 15.414 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 16.595 -17.519 16.386 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 14.202 -20.622 31.518 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 14.352 -21.351 30.915 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 14.204 -19.845 30.959 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 14.614 -22.252 29.010 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 15.150 -21.801 28.358 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 13.762 -22.360 28.588 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 12.680 -19.424 33.429 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 11.913 -19.956 33.219 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 13.359 -19.734 32.830 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 15.420 -24.796 29.442 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 15.322 -23.849 29.336 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 14.677 -25.168 28.966 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 10.861 -21.503 33.134 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 11.072 -22.210 32.523 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 10.749 -21.941 33.978 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 15.642 -25.502 32.113 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 16.354 -26.142 32.099 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 15.541 -25.235 31.199 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 15.995 -23.819 34.167 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 15.864 -24.295 33.346 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 15.396 -23.075 34.111 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 7.759 -6.907 21.903 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 7.112 -7.369 21.370 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 8.114 -7.579 22.486 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 8.629 -8.826 23.708 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 8.295 -9.707 23.880 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 8.851 -8.481 24.572 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.709 -15.751 26.159 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 8.893 -15.833 25.224 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 9.558 -15.875 26.583 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.307 -20.480 32.300 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 9.226 -20.602 32.536 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 7.857 -21.230 32.689 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 9.528 -22.168 25.191 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 9.973 -22.960 25.493 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 9.994 -21.452 25.622 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 7.832 -19.169 26.260 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 8.324 -19.390 25.470 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 8.194 -18.328 26.541 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 8.145 -22.911 20.315 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 7.220 -22.702 20.185 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 8.599 -22.427 19.625 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 10.585 -24.666 22.490 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 9.808 -24.900 21.982 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 11.116 -25.463 22.498 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 9.422 -24.868 18.293 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 9.861 -24.257 17.702 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 8.788 -24.330 18.767 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 9.323 -8.920 19.191 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 8.638 -8.958 18.523 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 9.326 -8.007 19.479 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 11.283 -22.952 16.736 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 11.774 -23.582 16.208 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 11.906 -22.656 17.399 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 11.141 -8.000 16.216 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 10.873 -7.713 17.089 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 11.912 -8.546 16.368 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 14.594 -21.540 34.794 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 14.163 -21.985 35.524 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 13.876 -21.168 34.282 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 9.111 -21.052 37.270 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 9.585 -20.461 36.685 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 8.393 -20.521 37.617 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 13.574 -22.423 37.203 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 13.491 -21.534 37.549 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 14.464 -22.688 37.434 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 10.149 -19.331 35.379 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 10.104 -18.392 35.558 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 9.261 -19.567 35.109 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 9.422 -24.868 37.149 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 9.861 -24.257 36.558 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 8.788 -24.330 37.623 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 11.283 -22.952 35.592 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 11.774 -23.582 35.064 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 11.906 -22.656 36.255 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 9.422 -6.012 18.293 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 9.861 -5.401 17.702 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 8.788 -5.474 18.767 0.00 0.00 WAT1 END