REMARK FILENAME="resa_07_waterIni.pdb" 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:29-Apr-2011 14:40:27 created by user: gliu REMARK VERSION:1.3 ATOM 1 HA MET 1 -2.888 7.212 15.184 1.00 50.21 A ATOM 2 CB MET 1 -0.790 6.872 15.430 1.00 45.11 A ATOM 3 HB1 MET 1 -0.166 6.011 15.619 1.00 33.21 A ATOM 4 HB2 MET 1 -0.522 7.659 16.120 1.00 73.44 A ATOM 5 CG MET 1 -0.510 7.361 14.018 1.00 63.00 A ATOM 6 HG1 MET 1 -0.999 6.698 13.319 1.00 2.43 A ATOM 7 HG2 MET 1 0.556 7.337 13.847 1.00 2.12 A ATOM 8 SD MET 1 -1.101 9.040 13.734 1.00 14.45 A ATOM 9 CE MET 1 -1.878 8.861 12.130 1.00 23.45 A ATOM 10 HE1 MET 1 -1.863 9.809 11.614 1.00 13.24 A ATOM 11 HE2 MET 1 -1.338 8.127 11.550 1.00 31.25 A ATOM 12 HE3 MET 1 -2.900 8.537 12.260 1.00 33.13 A ATOM 13 C MET 1 -2.529 5.112 15.062 1.00 62.11 A ATOM 14 O MET 1 -2.460 4.095 15.751 1.00 1.24 A ATOM 15 N MET 1 -2.555 6.498 17.091 1.00 52.00 A ATOM 16 HT1 MET 1 -2.379 7.446 17.489 1.00 37.95 A ATOM 17 HT2 MET 1 -1.965 5.806 17.602 1.00 37.95 A ATOM 18 HT3 MET 1 -3.558 6.260 17.248 1.00 37.95 A ATOM 19 CA MET 1 -2.251 6.486 15.665 1.00 41.32 A ATOM 20 N LYS 2 -2.844 5.090 13.771 1.00 4.02 A ATOM 21 HN LYS 2 -2.883 5.935 13.274 1.00 65.35 A ATOM 22 CA LYS 2 -3.131 3.842 13.074 1.00 32.04 A ATOM 23 HA LYS 2 -2.373 3.125 13.352 1.00 74.05 A ATOM 24 CB LYS 2 -4.502 3.305 13.492 1.00 20.10 A ATOM 25 HB1 LYS 2 -5.260 4.014 13.191 1.00 61.45 A ATOM 26 HB2 LYS 2 -4.523 3.204 14.567 1.00 34.11 A ATOM 27 CG LYS 2 -4.840 1.957 12.879 1.00 25.33 A ATOM 28 HG1 LYS 2 -3.924 1.405 12.720 1.00 70.24 A ATOM 29 HG2 LYS 2 -5.336 2.115 11.933 1.00 3.33 A ATOM 30 CD LYS 2 -5.753 1.146 13.783 1.00 11.34 A ATOM 31 HD1 LYS 2 -6.781 1.375 13.540 1.00 71.32 A ATOM 32 HD2 LYS 2 -5.557 1.413 14.811 1.00 13.13 A ATOM 33 CE LYS 2 -5.524 -0.348 13.612 1.00 54.31 A ATOM 34 HE1 LYS 2 -5.210 -0.536 12.596 1.00 52.01 A ATOM 35 HE2 LYS 2 -6.452 -0.864 13.803 1.00 11.21 A ATOM 36 NZ LYS 2 -4.483 -0.860 14.545 1.00 44.05 A ATOM 37 HZ1 LYS 2 -3.572 -0.395 14.352 1.00 20.44 A ATOM 38 HZ2 LYS 2 -4.368 -1.886 14.423 1.00 65.22 A ATOM 39 HZ3 LYS 2 -4.757 -0.667 15.529 1.00 54.14 A ATOM 40 C LYS 2 -3.090 4.042 11.562 1.00 55.04 A ATOM 41 O LYS 2 -3.994 4.644 10.982 1.00 4.33 A ATOM 42 N ILE 3 -2.039 3.529 10.931 1.00 13.42 A ATOM 43 HN ILE 3 -1.353 3.060 11.449 1.00 62.43 A ATOM 44 CA ILE 3 -1.884 3.649 9.486 1.00 43.21 A ATOM 45 HA ILE 3 -2.476 4.492 9.157 1.00 60.52 A ATOM 46 CB ILE 3 -0.416 3.909 9.098 1.00 21.54 A ATOM 47 HB ILE 3 0.178 3.080 9.454 1.00 24.11 A ATOM 48 CG1 ILE 3 0.086 5.199 9.747 1.00 43.33 A ATOM 49 HG11 ILE 3 1.154 5.275 9.600 1.00 41.10 A ATOM 50 HG12 ILE 3 -0.126 5.170 10.803 1.00 41.43 A ATOM 51 CG2 ILE 3 -0.273 3.978 7.585 1.00 1.54 A ATOM 52 HG21 ILE 3 -0.455 3.002 7.161 1.00 12.12 A ATOM 53 HG22 ILE 3 -0.990 4.681 7.189 1.00 63.33 A ATOM 54 HG23 ILE 3 0.726 4.300 7.332 1.00 11.23 A ATOM 55 CD1 ILE 3 -0.552 6.448 9.178 1.00 64.10 A ATOM 56 HD11 ILE 3 -1.566 6.230 8.879 1.00 30.00 A ATOM 57 HD12 ILE 3 -0.556 7.224 9.928 1.00 22.24 A ATOM 58 HD13 ILE 3 0.013 6.781 8.320 1.00 52.52 A ATOM 59 C ILE 3 -2.373 2.393 8.774 1.00 4.41 A ATOM 60 O ILE 3 -1.956 1.280 9.100 1.00 63.32 A ATOM 61 N LEU 4 -3.258 2.577 7.802 1.00 65.13 A ATOM 62 HN LEU 4 -3.552 3.487 7.589 1.00 62.44 A ATOM 63 CA LEU 4 -3.803 1.458 7.041 1.00 23.21 A ATOM 64 HA LEU 4 -3.185 0.593 7.235 1.00 52.40 A ATOM 65 CB LEU 4 -5.234 1.159 7.491 1.00 40.13 A ATOM 66 HB1 LEU 4 -5.438 0.120 7.272 1.00 14.52 A ATOM 67 HB2 LEU 4 -5.899 1.784 6.914 1.00 22.41 A ATOM 68 CG LEU 4 -5.536 1.396 8.971 1.00 63.21 A ATOM 69 HG LEU 4 -5.237 2.401 9.236 1.00 44.44 A ATOM 70 CD1 LEU 4 -7.027 1.264 9.239 1.00 2.34 A ATOM 71 HD11 LEU 4 -7.381 2.151 9.745 1.00 63.53 A ATOM 72 HD12 LEU 4 -7.206 0.399 9.860 1.00 62.31 A ATOM 73 HD13 LEU 4 -7.552 1.151 8.303 1.00 54.04 A ATOM 74 CD2 LEU 4 -4.748 0.425 9.838 1.00 51.22 A ATOM 75 HD21 LEU 4 -5.390 0.034 10.614 1.00 5.13 A ATOM 76 HD22 LEU 4 -3.912 0.941 10.287 1.00 24.43 A ATOM 77 HD23 LEU 4 -4.385 -0.389 9.228 1.00 70.42 A ATOM 78 C LEU 4 -3.779 1.753 5.545 1.00 42.32 A ATOM 79 O LEU 4 -4.494 2.633 5.065 1.00 41.34 A ATOM 80 N ILE 5 -2.954 1.011 4.814 1.00 51.44 A ATOM 81 HN ILE 5 -2.410 0.326 5.254 1.00 30.10 A ATOM 82 CA ILE 5 -2.840 1.192 3.372 1.00 71.13 A ATOM 83 HA ILE 5 -3.013 2.236 3.152 1.00 31.32 A ATOM 84 CB ILE 5 -1.434 0.817 2.867 1.00 74.23 A ATOM 85 HB ILE 5 -1.295 -0.242 3.013 1.00 25.24 A ATOM 86 CG1 ILE 5 -0.366 1.576 3.655 1.00 2.44 A ATOM 87 HG11 ILE 5 0.610 1.209 3.370 1.00 32.12 A ATOM 88 HG12 ILE 5 -0.516 1.406 4.710 1.00 52.23 A ATOM 89 CG2 ILE 5 -1.311 1.109 1.379 1.00 45.41 A ATOM 90 HG21 ILE 5 -0.269 1.085 1.093 1.00 73.43 A ATOM 91 HG22 ILE 5 -1.854 0.364 0.819 1.00 15.43 A ATOM 92 HG23 ILE 5 -1.719 2.087 1.168 1.00 45.54 A ATOM 93 CD1 ILE 5 -0.388 3.071 3.418 1.00 42.34 A ATOM 94 HD11 ILE 5 0.274 3.316 2.601 1.00 40.40 A ATOM 95 HD12 ILE 5 -1.392 3.382 3.176 1.00 53.20 A ATOM 96 HD13 ILE 5 -0.058 3.582 4.312 1.00 15.12 A ATOM 97 C ILE 5 -3.875 0.354 2.629 1.00 33.23 A ATOM 98 O ILE 5 -3.936 -0.866 2.793 1.00 40.43 A ATOM 99 N LEU 6 -4.687 1.015 1.811 1.00 31.35 A ATOM 100 HN LEU 6 -4.591 1.986 1.723 1.00 44.51 A ATOM 101 CA LEU 6 -5.720 0.332 1.041 1.00 62.41 A ATOM 102 HA LEU 6 -5.844 -0.658 1.458 1.00 42.14 A ATOM 103 CB LEU 6 -7.046 1.087 1.145 1.00 20.42 A ATOM 104 HB1 LEU 6 -7.045 1.861 0.391 1.00 72.53 A ATOM 105 HB2 LEU 6 -7.092 1.539 2.123 1.00 1.52 A ATOM 106 CG LEU 6 -8.312 0.248 0.958 1.00 44.32 A ATOM 107 HG LEU 6 -9.178 0.885 1.077 1.00 63.21 A ATOM 108 CD1 LEU 6 -8.356 -0.345 -0.441 1.00 60.32 A ATOM 109 HD11 LEU 6 -7.950 -1.345 -0.420 1.00 63.14 A ATOM 110 HD12 LEU 6 -7.771 0.266 -1.111 1.00 50.23 A ATOM 111 HD13 LEU 6 -9.379 -0.380 -0.786 1.00 13.23 A ATOM 112 CD2 LEU 6 -8.385 -0.850 2.009 1.00 40.14 A ATOM 113 HD21 LEU 6 -9.396 -1.223 2.067 1.00 34.14 A ATOM 114 HD22 LEU 6 -8.093 -0.449 2.969 1.00 72.42 A ATOM 115 HD23 LEU 6 -7.718 -1.654 1.736 1.00 74.33 A ATOM 116 C LEU 6 -5.310 0.199 -0.422 1.00 50.25 A ATOM 117 O LEU 6 -5.175 1.197 -1.132 1.00 53.14 A ATOM 118 N ILE 7 -5.115 -1.037 -0.868 1.00 75.23 A ATOM 119 HN ILE 7 -5.238 -1.790 -0.255 1.00 74.42 A ATOM 120 CA ILE 7 -4.725 -1.299 -2.248 1.00 3.30 A ATOM 121 HA ILE 7 -4.869 -0.389 -2.813 1.00 75.11 A ATOM 122 CB ILE 7 -3.241 -1.700 -2.347 1.00 0.35 A ATOM 123 HB ILE 7 -3.098 -2.607 -1.783 1.00 34.05 A ATOM 124 CG1 ILE 7 -2.353 -0.601 -1.760 1.00 10.45 A ATOM 125 HG11 ILE 7 -2.897 -0.085 -0.981 1.00 34.34 A ATOM 126 HG12 ILE 7 -2.098 0.101 -2.539 1.00 1.45 A ATOM 127 CG2 ILE 7 -2.862 -1.978 -3.794 1.00 14.54 A ATOM 128 HG21 ILE 7 -1.803 -2.177 -3.857 1.00 2.35 A ATOM 129 HG22 ILE 7 -3.411 -2.835 -4.150 1.00 62.51 A ATOM 130 HG23 ILE 7 -3.104 -1.117 -4.402 1.00 20.23 A ATOM 131 CD1 ILE 7 -1.064 -1.120 -1.162 1.00 11.11 A ATOM 132 HD11 ILE 7 -0.461 -1.566 -1.938 1.00 41.45 A ATOM 133 HD12 ILE 7 -0.522 -0.303 -0.708 1.00 54.23 A ATOM 134 HD13 ILE 7 -1.290 -1.863 -0.411 1.00 22.44 A ATOM 135 C ILE 7 -5.580 -2.402 -2.862 1.00 2.01 A ATOM 136 O ILE 7 -5.612 -3.526 -2.364 1.00 24.24 A ATOM 137 N ASN 8 -6.271 -2.072 -3.949 1.00 64.35 A ATOM 138 HN ASN 8 -6.204 -1.159 -4.300 1.00 34.52 A ATOM 139 CA ASN 8 -7.126 -3.036 -4.632 1.00 44.11 A ATOM 140 HA ASN 8 -7.269 -3.877 -3.972 1.00 73.12 A ATOM 141 CB ASN 8 -8.487 -2.409 -4.944 1.00 64.30 A ATOM 142 HB1 ASN 8 -8.412 -1.837 -5.856 1.00 54.55 A ATOM 143 HB2 ASN 8 -8.769 -1.755 -4.133 1.00 32.33 A ATOM 144 CG ASN 8 -9.575 -3.452 -5.120 1.00 51.40 A ATOM 145 OD1 ASN 8 -10.476 -3.569 -4.289 1.00 41.32 A ATOM 146 ND2 ASN 8 -9.496 -4.213 -6.204 1.00 72.20 A ATOM 147 HD21 ASN 8 -8.751 -4.062 -6.822 1.00 44.13 A ATOM 148 HD22 ASN 8 -10.187 -4.893 -6.342 1.00 73.13 A ATOM 149 C ASN 8 -6.471 -3.526 -5.920 1.00 53.34 A ATOM 150 O ASN 8 -6.269 -2.755 -6.861 1.00 31.43 A ATOM 151 N THR 9 -6.142 -4.812 -5.958 1.00 73.33 A ATOM 152 HN THR 9 -6.329 -5.376 -5.178 1.00 61.32 A ATOM 153 CA THR 9 -5.511 -5.406 -7.130 1.00 44.40 A ATOM 154 HA THR 9 -5.459 -4.649 -7.900 1.00 31.50 A ATOM 155 CB THR 9 -4.078 -5.877 -6.818 1.00 24.41 A ATOM 156 HB THR 9 -3.421 -5.018 -6.836 1.00 70.12 A ATOM 157 OG1 THR 9 -3.644 -6.818 -7.807 1.00 15.10 A ATOM 158 HG1 THR 9 -3.166 -6.356 -8.501 1.00 74.22 A ATOM 159 CG2 THR 9 -4.006 -6.514 -5.440 1.00 22.04 A ATOM 160 HG21 THR 9 -4.854 -7.168 -5.300 1.00 21.22 A ATOM 161 HG22 THR 9 -4.019 -5.742 -4.684 1.00 10.20 A ATOM 162 HG23 THR 9 -3.094 -7.085 -5.354 1.00 24.13 A ATOM 163 C THR 9 -6.319 -6.588 -7.652 1.00 55.13 A ATOM 164 O THR 9 -6.909 -7.340 -6.876 1.00 65.24 A ATOM 165 N ASN 10 -6.343 -6.748 -8.972 1.00 21.34 A ATOM 166 HN ASN 10 -5.853 -6.116 -9.539 1.00 33.44 A ATOM 167 CA ASN 10 -7.080 -7.840 -9.597 1.00 31.54 A ATOM 168 HA ASN 10 -7.819 -8.188 -8.889 1.00 70.15 A ATOM 169 CB ASN 10 -7.791 -7.347 -10.857 1.00 60.35 A ATOM 170 HB1 ASN 10 -7.069 -7.244 -11.653 1.00 50.44 A ATOM 171 HB2 ASN 10 -8.241 -6.386 -10.658 1.00 40.32 A ATOM 172 CG ASN 10 -8.879 -8.298 -11.318 1.00 35.11 A ATOM 173 OD1 ASN 10 -8.781 -8.903 -12.385 1.00 0.52 A ATOM 174 ND2 ASN 10 -9.925 -8.434 -10.510 1.00 32.22 A ATOM 175 HD21 ASN 10 -9.936 -7.920 -9.675 1.00 10.11 A ATOM 176 HD22 ASN 10 -10.643 -9.042 -10.783 1.00 72.11 A ATOM 177 C ASN 10 -6.148 -8.996 -9.943 1.00 30.33 A ATOM 178 O ASN 10 -6.598 -10.106 -10.228 1.00 71.33 A ATOM 179 N ASN 11 -4.846 -8.729 -9.917 1.00 54.21 A ATOM 180 HN ASN 11 -4.548 -7.825 -9.682 1.00 35.02 A ATOM 181 CA ASN 11 -3.850 -9.748 -10.228 1.00 32.31 A ATOM 182 HA ASN 11 -4.335 -10.519 -10.807 1.00 11.31 A ATOM 183 CB ASN 11 -2.715 -9.144 -11.056 1.00 64.02 A ATOM 184 HB1 ASN 11 -1.958 -8.757 -10.391 1.00 3.22 A ATOM 185 HB2 ASN 11 -3.106 -8.336 -11.658 1.00 54.12 A ATOM 186 CG ASN 11 -2.069 -10.159 -11.981 1.00 20.15 A ATOM 187 OD1 ASN 11 -2.480 -11.318 -12.030 1.00 72.43 A ATOM 188 ND2 ASN 11 -1.052 -9.726 -12.716 1.00 64.52 A ATOM 189 HD21 ASN 11 -0.778 -8.789 -12.623 1.00 12.24 A ATOM 190 HD22 ASN 11 -0.616 -10.362 -13.321 1.00 52.43 A ATOM 191 C ASN 11 -3.289 -10.368 -8.952 1.00 74.21 A ATOM 192 O ASN 11 -2.656 -9.688 -8.146 1.00 1.11 A ATOM 193 N ASP 12 -3.526 -11.664 -8.778 1.00 13.44 A ATOM 194 HN ASP 12 -4.038 -12.153 -9.457 1.00 4.31 A ATOM 195 CA ASP 12 -3.044 -12.377 -7.601 1.00 63.51 A ATOM 196 HA ASP 12 -3.524 -11.950 -6.734 1.00 21.22 A ATOM 197 CB ASP 12 -3.410 -13.861 -7.693 1.00 3.21 A ATOM 198 HB1 ASP 12 -2.655 -14.443 -7.184 1.00 54.23 A ATOM 199 HB2 ASP 12 -3.444 -14.153 -8.731 1.00 74.44 A ATOM 200 CG ASP 12 -4.756 -14.164 -7.065 1.00 23.31 A ATOM 201 OD1 ASP 12 -5.730 -13.446 -7.371 1.00 41.43 A ATOM 202 OD2 ASP 12 -4.835 -15.121 -6.266 1.00 32.14 A ATOM 203 C ASP 12 -1.533 -12.223 -7.454 1.00 15.24 A ATOM 204 O ASP 12 -0.993 -12.344 -6.354 1.00 31.02 A ATOM 205 N GLU 13 -0.859 -11.955 -8.566 1.00 42.23 A ATOM 206 HN GLU 13 -1.346 -11.870 -9.412 1.00 52.02 A ATOM 207 CA GLU 13 0.589 -11.784 -8.559 1.00 44.22 A ATOM 208 HA GLU 13 1.024 -12.659 -8.100 1.00 34.24 A ATOM 209 CB GLU 13 1.118 -11.662 -9.990 1.00 11.41 A ATOM 210 HB1 GLU 13 2.184 -11.493 -9.954 1.00 71.03 A ATOM 211 HB2 GLU 13 0.644 -10.816 -10.466 1.00 23.02 A ATOM 212 CG GLU 13 0.860 -12.894 -10.841 1.00 62.43 A ATOM 213 HG1 GLU 13 -0.201 -12.970 -11.030 1.00 63.01 A ATOM 214 HG2 GLU 13 1.192 -13.766 -10.300 1.00 63.12 A ATOM 215 CD GLU 13 1.586 -12.845 -12.172 1.00 31.32 A ATOM 216 OE1 GLU 13 2.815 -12.627 -12.170 1.00 41.52 A ATOM 217 OE2 GLU 13 0.924 -13.028 -13.216 1.00 12.20 A ATOM 218 C GLU 13 0.989 -10.554 -7.751 1.00 13.41 A ATOM 219 O GLU 13 1.973 -10.574 -7.010 1.00 35.40 A ATOM 220 N LEU 14 0.219 -9.481 -7.899 1.00 42.01 A ATOM 221 HN LEU 14 -0.551 -9.524 -8.504 1.00 64.04 A ATOM 222 CA LEU 14 0.492 -8.239 -7.184 1.00 33.12 A ATOM 223 HA LEU 14 1.523 -7.973 -7.364 1.00 53.24 A ATOM 224 CB LEU 14 -0.411 -7.119 -7.705 1.00 5.03 A ATOM 225 HB1 LEU 14 -0.624 -6.456 -6.879 1.00 44.12 A ATOM 226 HB2 LEU 14 -1.329 -7.568 -8.050 1.00 53.13 A ATOM 227 CG LEU 14 0.157 -6.277 -8.848 1.00 71.11 A ATOM 228 HG LEU 14 -0.550 -5.497 -9.097 1.00 65.24 A ATOM 229 CD1 LEU 14 1.459 -5.613 -8.428 1.00 73.11 A ATOM 230 HD11 LEU 14 1.401 -5.335 -7.386 1.00 11.05 A ATOM 231 HD12 LEU 14 1.622 -4.729 -9.027 1.00 43.33 A ATOM 232 HD13 LEU 14 2.278 -6.303 -8.572 1.00 54.41 A ATOM 233 CD2 LEU 14 0.370 -7.135 -10.088 1.00 53.41 A ATOM 234 HD21 LEU 14 0.822 -8.072 -9.801 1.00 42.35 A ATOM 235 HD22 LEU 14 1.021 -6.616 -10.777 1.00 72.11 A ATOM 236 HD23 LEU 14 -0.581 -7.322 -10.562 1.00 75.11 A ATOM 237 C LEU 14 0.284 -8.417 -5.684 1.00 65.23 A ATOM 238 O LEU 14 0.893 -7.716 -4.876 1.00 33.32 A ATOM 239 N ILE 15 -0.576 -9.362 -5.319 1.00 23.03 A ATOM 240 HN ILE 15 -1.029 -9.888 -6.010 1.00 31.24 A ATOM 241 CA ILE 15 -0.860 -9.635 -3.915 1.00 61.45 A ATOM 242 HA ILE 15 -1.100 -8.697 -3.435 1.00 63.45 A ATOM 243 CB ILE 15 -2.065 -10.583 -3.760 1.00 42.11 A ATOM 244 HB ILE 15 -1.767 -11.566 -4.089 1.00 61.23 A ATOM 245 CG1 ILE 15 -3.235 -10.100 -4.618 1.00 53.10 A ATOM 246 HG11 ILE 15 -2.926 -10.074 -5.653 1.00 51.11 A ATOM 247 HG12 ILE 15 -3.516 -9.106 -4.307 1.00 60.11 A ATOM 248 CG2 ILE 15 -2.477 -10.678 -2.298 1.00 30.52 A ATOM 249 HG21 ILE 15 -3.311 -10.016 -2.115 1.00 72.12 A ATOM 250 HG22 ILE 15 -2.768 -11.693 -2.072 1.00 24.40 A ATOM 251 HG23 ILE 15 -1.647 -10.393 -1.670 1.00 2.23 A ATOM 252 CD1 ILE 15 -4.461 -10.981 -4.519 1.00 50.23 A ATOM 253 HD11 ILE 15 -4.889 -10.893 -3.533 1.00 33.13 A ATOM 254 HD12 ILE 15 -5.187 -10.673 -5.257 1.00 41.54 A ATOM 255 HD13 ILE 15 -4.181 -12.008 -4.699 1.00 4.13 A ATOM 256 C ILE 15 0.349 -10.252 -3.219 1.00 43.43 A ATOM 257 O ILE 15 0.960 -9.632 -2.347 1.00 55.44 A ATOM 258 N LYS 16 0.692 -11.473 -3.611 1.00 41.04 A ATOM 259 HN LYS 16 0.167 -11.915 -4.312 1.00 74.33 A ATOM 260 CA LYS 16 1.831 -12.173 -3.028 1.00 53.23 A ATOM 261 HA LYS 16 1.588 -12.406 -2.002 1.00 53.35 A ATOM 262 CB LYS 16 2.096 -13.478 -3.786 1.00 0.54 A ATOM 263 HB1 LYS 16 1.366 -14.213 -3.478 1.00 43.21 A ATOM 264 HB2 LYS 16 3.083 -13.833 -3.528 1.00 51.25 A ATOM 265 CG LYS 16 2.018 -13.330 -5.294 1.00 63.54 A ATOM 266 HG1 LYS 16 2.310 -12.327 -5.565 1.00 44.32 A ATOM 267 HG2 LYS 16 1.002 -13.510 -5.614 1.00 1.33 A ATOM 268 CD LYS 16 2.935 -14.318 -5.998 1.00 73.40 A ATOM 269 HD1 LYS 16 2.554 -14.502 -6.993 1.00 22.43 A ATOM 270 HD2 LYS 16 2.951 -15.243 -5.440 1.00 2.54 A ATOM 271 CE LYS 16 4.355 -13.783 -6.103 1.00 75.13 A ATOM 272 HE1 LYS 16 4.603 -13.275 -5.184 1.00 73.20 A ATOM 273 HE2 LYS 16 4.402 -13.083 -6.925 1.00 12.11 A ATOM 274 NZ LYS 16 5.342 -14.873 -6.338 1.00 42.33 A ATOM 275 HZ1 LYS 16 5.390 -15.496 -5.507 1.00 3.54 A ATOM 276 HZ2 LYS 16 6.285 -14.469 -6.510 1.00 22.40 A ATOM 277 HZ3 LYS 16 5.062 -15.437 -7.164 1.00 64.44 A ATOM 278 C LYS 16 3.079 -11.296 -3.053 1.00 74.01 A ATOM 279 O LYS 16 3.896 -11.336 -2.132 1.00 52.11 A ATOM 280 N LYS 17 3.219 -10.504 -4.109 1.00 61.32 A ATOM 281 HN LYS 17 2.534 -10.516 -4.810 1.00 73.25 A ATOM 282 CA LYS 17 4.366 -9.615 -4.252 1.00 73.02 A ATOM 283 HA LYS 17 5.261 -10.211 -4.167 1.00 41.21 A ATOM 284 CB LYS 17 4.345 -8.940 -5.626 1.00 43.24 A ATOM 285 HB1 LYS 17 5.008 -8.086 -5.603 1.00 71.55 A ATOM 286 HB2 LYS 17 3.341 -8.600 -5.832 1.00 41.51 A ATOM 287 CG LYS 17 4.781 -9.853 -6.758 1.00 43.45 A ATOM 288 HG1 LYS 17 4.233 -10.781 -6.693 1.00 34.43 A ATOM 289 HG2 LYS 17 5.839 -10.050 -6.664 1.00 12.45 A ATOM 290 CD LYS 17 4.519 -9.220 -8.115 1.00 62.15 A ATOM 291 HD1 LYS 17 3.605 -8.647 -8.065 1.00 75.42 A ATOM 292 HD2 LYS 17 4.415 -10.002 -8.853 1.00 23.10 A ATOM 293 CE LYS 17 5.657 -8.301 -8.533 1.00 3.13 A ATOM 294 HE1 LYS 17 5.954 -7.709 -7.679 1.00 33.11 A ATOM 295 HE2 LYS 17 5.308 -7.651 -9.318 1.00 54.11 A ATOM 296 NZ LYS 17 6.836 -9.066 -9.024 1.00 4.22 A ATOM 297 HZ1 LYS 17 7.664 -8.440 -9.095 1.00 72.51 A ATOM 298 HZ2 LYS 17 6.637 -9.466 -9.963 1.00 34.31 A ATOM 299 HZ3 LYS 17 7.058 -9.842 -8.368 1.00 70.25 A ATOM 300 C LYS 17 4.374 -8.557 -3.155 1.00 12.33 A ATOM 301 O LYS 17 5.300 -8.496 -2.344 1.00 71.14 A ATOM 302 N ILE 18 3.337 -7.726 -3.132 1.00 33.31 A ATOM 303 HN ILE 18 2.630 -7.825 -3.803 1.00 63.05 A ATOM 304 CA ILE 18 3.224 -6.672 -2.130 1.00 3.21 A ATOM 305 HA ILE 18 4.058 -5.998 -2.263 1.00 13.22 A ATOM 306 CB ILE 18 1.920 -5.872 -2.300 1.00 11.32 A ATOM 307 HB ILE 18 1.092 -6.563 -2.274 1.00 4.13 A ATOM 308 CG1 ILE 18 1.917 -5.139 -3.644 1.00 35.14 A ATOM 309 HG11 ILE 18 2.137 -5.847 -4.431 1.00 72.23 A ATOM 310 HG12 ILE 18 2.676 -4.373 -3.632 1.00 72.25 A ATOM 311 CG2 ILE 18 1.751 -4.886 -1.153 1.00 53.14 A ATOM 312 HG21 ILE 18 2.690 -4.388 -0.966 1.00 44.14 A ATOM 313 HG22 ILE 18 1.003 -4.152 -1.417 1.00 34.43 A ATOM 314 HG23 ILE 18 1.440 -5.415 -0.266 1.00 11.44 A ATOM 315 CD1 ILE 18 0.595 -4.479 -3.969 1.00 43.13 A ATOM 316 HD11 ILE 18 0.327 -4.694 -4.992 1.00 14.10 A ATOM 317 HD12 ILE 18 -0.169 -4.857 -3.307 1.00 74.41 A ATOM 318 HD13 ILE 18 0.686 -3.409 -3.838 1.00 44.12 A ATOM 319 C ILE 18 3.274 -7.248 -0.718 1.00 43.15 A ATOM 320 O ILE 18 3.801 -6.620 0.200 1.00 32.33 A ATOM 321 N LYS 19 2.724 -8.446 -0.554 1.00 61.10 A ATOM 322 HN LYS 19 2.320 -8.896 -1.326 1.00 35.13 A ATOM 323 CA LYS 19 2.708 -9.109 0.744 1.00 32.44 A ATOM 324 HA LYS 19 2.036 -8.562 1.388 1.00 21.01 A ATOM 325 CB LYS 19 2.200 -10.545 0.600 1.00 52.20 A ATOM 326 HB1 LYS 19 2.619 -11.144 1.395 1.00 3.24 A ATOM 327 HB2 LYS 19 2.533 -10.938 -0.349 1.00 60.11 A ATOM 328 CG LYS 19 0.687 -10.664 0.661 1.00 12.11 A ATOM 329 HG1 LYS 19 0.274 -10.388 -0.300 1.00 0.23 A ATOM 330 HG2 LYS 19 0.312 -9.996 1.421 1.00 24.51 A ATOM 331 CD LYS 19 0.252 -12.082 0.995 1.00 60.13 A ATOM 332 HD1 LYS 19 0.167 -12.179 2.068 1.00 51.11 A ATOM 333 HD2 LYS 19 0.995 -12.774 0.627 1.00 41.34 A ATOM 334 CE LYS 19 -1.089 -12.417 0.360 1.00 44.14 A ATOM 335 HE1 LYS 19 -1.671 -11.511 0.279 1.00 43.23 A ATOM 336 HE2 LYS 19 -1.606 -13.121 0.993 1.00 62.21 A ATOM 337 NZ LYS 19 -0.927 -13.013 -0.996 1.00 3.21 A ATOM 338 HZ1 LYS 19 -1.854 -13.292 -1.376 1.00 43.34 A ATOM 339 HZ2 LYS 19 -0.318 -13.853 -0.946 1.00 62.25 A ATOM 340 HZ3 LYS 19 -0.493 -12.321 -1.640 1.00 60.44 A ATOM 341 C LYS 19 4.098 -9.111 1.372 1.00 60.42 A ATOM 342 O LYS 19 4.245 -8.932 2.581 1.00 42.10 A ATOM 343 N LYS 20 5.116 -9.313 0.543 1.00 42.05 A ATOM 344 HN LYS 20 4.935 -9.450 -0.412 1.00 3.04 A ATOM 345 CA LYS 20 6.495 -9.336 1.014 1.00 65.53 A ATOM 346 HA LYS 20 6.514 -9.859 1.959 1.00 3.32 A ATOM 347 CB LYS 20 7.386 -10.080 0.016 1.00 11.34 A ATOM 348 HB1 LYS 20 8.356 -10.237 0.465 1.00 1.04 A ATOM 349 HB2 LYS 20 7.503 -9.470 -0.867 1.00 53.32 A ATOM 350 CG LYS 20 6.832 -11.429 -0.405 1.00 73.55 A ATOM 351 HG1 LYS 20 7.467 -11.845 -1.175 1.00 51.52 A ATOM 352 HG2 LYS 20 5.834 -11.292 -0.795 1.00 32.11 A ATOM 353 CD LYS 20 6.775 -12.399 0.763 1.00 12.12 A ATOM 354 HD1 LYS 20 6.028 -13.153 0.558 1.00 65.32 A ATOM 355 HD2 LYS 20 6.504 -11.856 1.657 1.00 42.40 A ATOM 356 CE LYS 20 8.116 -13.079 0.989 1.00 24.00 A ATOM 357 HE1 LYS 20 8.611 -13.194 0.036 1.00 24.41 A ATOM 358 HE2 LYS 20 7.944 -14.051 1.425 1.00 74.25 A ATOM 359 NZ LYS 20 8.993 -12.289 1.898 1.00 34.41 A ATOM 360 HZ1 LYS 20 9.510 -12.926 2.537 1.00 23.21 A ATOM 361 HZ2 LYS 20 8.419 -11.635 2.468 1.00 1.15 A ATOM 362 HZ3 LYS 20 9.679 -11.739 1.344 1.00 53.50 A ATOM 363 C LYS 20 7.022 -7.920 1.225 1.00 33.32 A ATOM 364 O LYS 20 7.588 -7.609 2.272 1.00 15.44 A ATOM 365 N GLU 21 6.830 -7.066 0.224 1.00 73.54 A ATOM 366 HN GLU 21 6.372 -7.376 -0.586 1.00 52.30 A ATOM 367 CA GLU 21 7.285 -5.684 0.301 1.00 21.41 A ATOM 368 HA GLU 21 8.364 -5.691 0.322 1.00 23.34 A ATOM 369 CB GLU 21 6.817 -4.901 -0.928 1.00 4.40 A ATOM 370 HB1 GLU 21 6.872 -3.845 -0.707 1.00 1.31 A ATOM 371 HB2 GLU 21 5.791 -5.162 -1.138 1.00 33.42 A ATOM 372 CG GLU 21 7.644 -5.171 -2.173 1.00 30.21 A ATOM 373 HG1 GLU 21 7.093 -4.828 -3.036 1.00 61.44 A ATOM 374 HG2 GLU 21 7.812 -6.235 -2.254 1.00 2.31 A ATOM 375 CD GLU 21 8.988 -4.470 -2.146 1.00 50.41 A ATOM 376 OE1 GLU 21 9.986 -5.113 -1.758 1.00 52.23 A ATOM 377 OE2 GLU 21 9.041 -3.277 -2.511 1.00 3.53 A ATOM 378 C GLU 21 6.772 -5.013 1.572 1.00 24.20 A ATOM 379 O GLU 21 7.471 -4.207 2.187 1.00 71.11 A ATOM 380 N VAL 22 5.547 -5.351 1.960 1.00 73.33 A ATOM 381 HN VAL 22 5.039 -5.998 1.428 1.00 21.31 A ATOM 382 CA VAL 22 4.939 -4.783 3.157 1.00 5.31 A ATOM 383 HA VAL 22 5.439 -3.850 3.373 1.00 51.41 A ATOM 384 CB VAL 22 3.442 -4.491 2.943 1.00 63.31 A ATOM 385 HB VAL 22 3.061 -4.004 3.828 1.00 11.21 A ATOM 386 CG1 VAL 22 3.244 -3.553 1.761 1.00 23.41 A ATOM 387 HG11 VAL 22 2.218 -3.607 1.428 1.00 62.03 A ATOM 388 HG12 VAL 22 3.475 -2.543 2.061 1.00 55.42 A ATOM 389 HG13 VAL 22 3.900 -3.848 0.955 1.00 74.34 A ATOM 390 CG2 VAL 22 2.671 -5.787 2.742 1.00 63.13 A ATOM 391 HG21 VAL 22 2.020 -5.688 1.886 1.00 32.22 A ATOM 392 HG22 VAL 22 3.366 -6.597 2.573 1.00 32.51 A ATOM 393 HG23 VAL 22 2.082 -5.995 3.622 1.00 73.13 A ATOM 394 C VAL 22 5.098 -5.718 4.351 1.00 43.42 A ATOM 395 O VAL 22 4.258 -5.741 5.248 1.00 13.10 A ATOM 396 N GLU 23 6.183 -6.486 4.353 1.00 13.31 A ATOM 397 HN GLU 23 6.816 -6.422 3.607 1.00 3.53 A ATOM 398 CA GLU 23 6.451 -7.424 5.437 1.00 22.22 A ATOM 399 HA GLU 23 5.576 -7.460 6.068 1.00 2.44 A ATOM 400 CB GLU 23 6.719 -8.822 4.877 1.00 14.23 A ATOM 401 HB1 GLU 23 7.673 -8.818 4.372 1.00 61.21 A ATOM 402 HB2 GLU 23 5.945 -9.066 4.164 1.00 41.23 A ATOM 403 CG GLU 23 6.747 -9.909 5.940 1.00 41.42 A ATOM 404 HG1 GLU 23 5.731 -10.188 6.177 1.00 64.20 A ATOM 405 HG2 GLU 23 7.227 -9.516 6.824 1.00 13.32 A ATOM 406 CD GLU 23 7.499 -11.146 5.490 1.00 44.24 A ATOM 407 OE1 GLU 23 8.700 -11.025 5.167 1.00 0.24 A ATOM 408 OE2 GLU 23 6.888 -12.234 5.459 1.00 22.20 A ATOM 409 C GLU 23 7.642 -6.963 6.273 1.00 14.11 A ATOM 410 O GLU 23 7.727 -7.255 7.465 1.00 32.00 A ATOM 411 N ASN 24 8.559 -6.241 5.638 1.00 51.32 A ATOM 412 HN ASN 24 8.435 -6.040 4.686 1.00 23.25 A ATOM 413 CA ASN 24 9.745 -5.739 6.322 1.00 45.53 A ATOM 414 HA ASN 24 9.837 -6.270 7.257 1.00 24.04 A ATOM 415 CB ASN 24 10.994 -5.999 5.477 1.00 5.12 A ATOM 416 HB1 ASN 24 11.770 -5.306 5.768 1.00 73.10 A ATOM 417 HB2 ASN 24 10.755 -5.848 4.434 1.00 55.14 A ATOM 418 CG ASN 24 11.523 -7.411 5.647 1.00 60.25 A ATOM 419 OD1 ASN 24 12.588 -7.622 6.226 1.00 4.54 A ATOM 420 ND2 ASN 24 10.778 -8.386 5.139 1.00 2.42 A ATOM 421 HD21 ASN 24 9.941 -8.144 4.690 1.00 1.43 A ATOM 422 HD22 ASN 24 11.096 -9.309 5.235 1.00 11.41 A ATOM 423 C ASN 24 9.616 -4.247 6.612 1.00 24.32 A ATOM 424 O ASN 24 10.616 -3.540 6.732 1.00 24.21 A ATOM 425 N GLN 25 8.378 -3.777 6.724 1.00 4.24 A ATOM 426 HN GLN 25 7.622 -4.389 6.618 1.00 24.44 A ATOM 427 CA GLN 25 8.119 -2.369 7.001 1.00 50.12 A ATOM 428 HA GLN 25 9.070 -1.880 7.151 1.00 34.24 A ATOM 429 CB GLN 25 7.408 -1.716 5.814 1.00 75.01 A ATOM 430 HB1 GLN 25 7.290 -0.662 6.014 1.00 35.52 A ATOM 431 HB2 GLN 25 6.432 -2.165 5.704 1.00 54.33 A ATOM 432 CG GLN 25 8.154 -1.870 4.498 1.00 1.35 A ATOM 433 HG1 GLN 25 7.457 -1.726 3.686 1.00 44.13 A ATOM 434 HG2 GLN 25 8.566 -2.866 4.447 1.00 64.53 A ATOM 435 CD GLN 25 9.285 -0.870 4.350 1.00 53.22 A ATOM 436 OE1 GLN 25 9.160 0.124 3.635 1.00 72.34 A ATOM 437 NE2 GLN 25 10.397 -1.130 5.027 1.00 43.45 A ATOM 438 HE21 GLN 25 10.426 -1.943 5.575 1.00 14.45 A ATOM 439 HE22 GLN 25 11.144 -0.502 4.948 1.00 21.31 A ATOM 440 C GLN 25 7.279 -2.207 8.263 1.00 12.24 A ATOM 441 O GLN 25 7.019 -1.091 8.710 1.00 74.33 A ATOM 442 N GLY 26 6.856 -3.332 8.835 1.00 44.32 A ATOM 443 HN GLY 26 7.095 -4.194 8.434 1.00 34.04 A ATOM 444 CA GLY 26 6.049 -3.293 10.040 1.00 24.14 A ATOM 445 HA1 GLY 26 6.398 -2.486 10.668 1.00 44.13 A ATOM 446 HA2 GLY 26 6.170 -4.226 10.571 1.00 13.31 A ATOM 447 C GLY 26 4.577 -3.082 9.745 1.00 5.12 A ATOM 448 O GLY 26 3.931 -2.229 10.357 1.00 62.21 A ATOM 449 N TYR 27 4.046 -3.857 8.808 1.00 63.34 A ATOM 450 HN TYR 27 4.612 -4.518 8.356 1.00 1.11 A ATOM 451 CA TYR 27 2.642 -3.748 8.431 1.00 61.34 A ATOM 452 HA TYR 27 2.122 -3.241 9.230 1.00 4.20 A ATOM 453 CB TYR 27 2.499 -2.928 7.147 1.00 21.52 A ATOM 454 HB1 TYR 27 1.494 -3.040 6.767 1.00 1.22 A ATOM 455 HB2 TYR 27 3.199 -3.296 6.413 1.00 51.30 A ATOM 456 CG TYR 27 2.763 -1.452 7.339 1.00 35.13 A ATOM 457 CD1 TYR 27 1.718 -0.534 7.345 1.00 64.20 A ATOM 458 HD1 TYR 27 0.707 -0.889 7.209 1.00 21.53 A ATOM 459 CD2 TYR 27 4.055 -0.973 7.514 1.00 2.31 A ATOM 460 HD2 TYR 27 4.878 -1.674 7.512 1.00 42.22 A ATOM 461 CE1 TYR 27 1.954 0.816 7.519 1.00 22.24 A ATOM 462 HE1 TYR 27 1.130 1.512 7.521 1.00 14.41 A ATOM 463 CE2 TYR 27 4.300 0.374 7.691 1.00 42.23 A ATOM 464 HE2 TYR 27 5.312 0.728 7.826 1.00 61.34 A ATOM 465 CZ TYR 27 3.247 1.264 7.692 1.00 14.54 A ATOM 466 OH TYR 27 3.487 2.608 7.867 1.00 53.24 A ATOM 467 HH TYR 27 3.891 2.966 7.073 1.00 42.41 A ATOM 468 C TYR 27 2.021 -5.127 8.238 1.00 61.44 A ATOM 469 O TYR 27 2.430 -5.886 7.359 1.00 25.24 A ATOM 470 N GLN 28 1.030 -5.444 9.065 1.00 62.12 A ATOM 471 HN GLN 28 0.749 -4.797 9.744 1.00 41.21 A ATOM 472 CA GLN 28 0.352 -6.734 8.986 1.00 40.52 A ATOM 473 HA GLN 28 1.093 -7.507 9.122 1.00 12.32 A ATOM 474 CB GLN 28 -0.697 -6.850 10.093 1.00 54.04 A ATOM 475 HB1 GLN 28 -1.451 -7.559 9.784 1.00 11.54 A ATOM 476 HB2 GLN 28 -1.160 -5.885 10.236 1.00 33.15 A ATOM 477 CG GLN 28 -0.128 -7.309 11.425 1.00 20.31 A ATOM 478 HG1 GLN 28 0.224 -8.324 11.320 1.00 34.14 A ATOM 479 HG2 GLN 28 -0.911 -7.276 12.168 1.00 52.52 A ATOM 480 CD GLN 28 1.023 -6.444 11.896 1.00 4.43 A ATOM 481 OE1 GLN 28 2.179 -6.680 11.544 1.00 71.32 A ATOM 482 NE2 GLN 28 0.714 -5.433 12.701 1.00 54.22 A ATOM 483 HE21 GLN 28 -0.228 -5.305 12.941 1.00 34.45 A ATOM 484 HE22 GLN 28 1.438 -4.857 13.021 1.00 41.33 A ATOM 485 C GLN 28 -0.306 -6.918 7.623 1.00 74.42 A ATOM 486 O GLN 28 -0.394 -5.981 6.831 1.00 41.02 A ATOM 487 N VAL 29 -0.768 -8.136 7.355 1.00 13.13 A ATOM 488 HN VAL 29 -0.669 -8.844 8.027 1.00 53.24 A ATOM 489 CA VAL 29 -1.420 -8.446 6.088 1.00 2.01 A ATOM 490 HA VAL 29 -1.557 -7.520 5.548 1.00 23.14 A ATOM 491 CB VAL 29 -0.554 -9.383 5.226 1.00 33.53 A ATOM 492 HB VAL 29 -0.409 -10.307 5.769 1.00 14.01 A ATOM 493 CG1 VAL 29 -1.258 -9.708 3.917 1.00 31.13 A ATOM 494 HG11 VAL 29 -1.646 -8.798 3.482 1.00 31.32 A ATOM 495 HG12 VAL 29 -0.556 -10.164 3.234 1.00 15.01 A ATOM 496 HG13 VAL 29 -2.073 -10.391 4.106 1.00 2.44 A ATOM 497 CG2 VAL 29 0.810 -8.763 4.968 1.00 20.03 A ATOM 498 HG21 VAL 29 1.525 -9.159 5.674 1.00 53.22 A ATOM 499 HG22 VAL 29 1.129 -8.998 3.963 1.00 53.32 A ATOM 500 HG23 VAL 29 0.746 -7.691 5.084 1.00 33.41 A ATOM 501 C VAL 29 -2.782 -9.092 6.314 1.00 43.13 A ATOM 502 O VAL 29 -2.871 -10.269 6.663 1.00 62.11 A ATOM 503 N ARG 30 -3.841 -8.316 6.111 1.00 4.24 A ATOM 504 HN ARG 30 -3.705 -7.386 5.834 1.00 53.42 A ATOM 505 CA ARG 30 -5.199 -8.813 6.293 1.00 10.24 A ATOM 506 HA ARG 30 -5.145 -9.723 6.870 1.00 44.44 A ATOM 507 CB ARG 30 -6.041 -7.789 7.057 1.00 33.32 A ATOM 508 HB1 ARG 30 -6.986 -8.242 7.318 1.00 0.23 A ATOM 509 HB2 ARG 30 -6.223 -6.938 6.416 1.00 72.42 A ATOM 510 CG ARG 30 -5.383 -7.290 8.332 1.00 15.21 A ATOM 511 HG1 ARG 30 -6.069 -6.633 8.847 1.00 34.22 A ATOM 512 HG2 ARG 30 -4.486 -6.747 8.076 1.00 51.42 A ATOM 513 CD ARG 30 -5.013 -8.440 9.256 1.00 34.23 A ATOM 514 HD1 ARG 30 -4.578 -8.034 10.158 1.00 54.15 A ATOM 515 HD2 ARG 30 -4.289 -9.066 8.757 1.00 22.10 A ATOM 516 NE ARG 30 -6.174 -9.251 9.613 1.00 74.23 A ATOM 517 HE ARG 30 -7.014 -9.072 9.140 1.00 34.13 A ATOM 518 CZ ARG 30 -6.148 -10.208 10.534 1.00 63.02 A ATOM 519 NH1 ARG 30 -5.025 -10.472 11.188 1.00 11.31 A ATOM 520 HH11 ARG 30 -4.197 -9.949 10.989 1.00 44.14 A ATOM 521 HH12 ARG 30 -5.008 -11.191 11.882 1.00 10.11 A ATOM 522 NH2 ARG 30 -7.246 -10.903 10.802 1.00 3.03 A ATOM 523 HH21 ARG 30 -8.094 -10.707 10.311 1.00 1.12 A ATOM 524 HH22 ARG 30 -7.225 -11.623 11.495 1.00 4.24 A ATOM 525 C ARG 30 -5.850 -9.121 4.948 1.00 10.12 A ATOM 526 O ARG 30 -6.000 -8.237 4.103 1.00 32.13 A ATOM 527 N ASP 31 -6.234 -10.377 4.757 1.00 63.22 A ATOM 528 HN ASP 31 -6.087 -11.036 5.468 1.00 22.43 A ATOM 529 CA ASP 31 -6.869 -10.803 3.514 1.00 70.12 A ATOM 530 HA ASP 31 -6.507 -10.165 2.722 1.00 22.02 A ATOM 531 CB ASP 31 -6.497 -12.252 3.197 1.00 74.24 A ATOM 532 HB1 ASP 31 -5.425 -12.327 3.091 1.00 71.30 A ATOM 533 HB2 ASP 31 -6.967 -12.542 2.268 1.00 41.13 A ATOM 534 CG ASP 31 -6.943 -13.214 4.279 1.00 32.33 A ATOM 535 OD1 ASP 31 -6.284 -13.263 5.339 1.00 34.23 A ATOM 536 OD2 ASP 31 -7.952 -13.920 4.067 1.00 65.51 A ATOM 537 C ASP 31 -8.385 -10.662 3.604 1.00 53.40 A ATOM 538 O ASP 31 -9.019 -11.211 4.505 1.00 3.41 A ATOM 539 N VAL 32 -8.962 -9.920 2.664 1.00 42.43 A ATOM 540 HN VAL 32 -8.404 -9.507 1.972 1.00 41.03 A ATOM 541 CA VAL 32 -10.404 -9.705 2.636 1.00 63.52 A ATOM 542 HA VAL 32 -10.866 -10.464 3.251 1.00 61.13 A ATOM 543 CB VAL 32 -10.777 -8.324 3.208 1.00 33.35 A ATOM 544 HB VAL 32 -10.446 -7.568 2.513 1.00 2.14 A ATOM 545 CG1 VAL 32 -12.285 -8.202 3.363 1.00 14.41 A ATOM 546 HG11 VAL 32 -12.735 -9.182 3.296 1.00 12.51 A ATOM 547 HG12 VAL 32 -12.514 -7.763 4.323 1.00 15.22 A ATOM 548 HG13 VAL 32 -12.677 -7.572 2.577 1.00 73.11 A ATOM 549 CG2 VAL 32 -10.076 -8.092 4.538 1.00 21.02 A ATOM 550 HG21 VAL 32 -9.035 -7.867 4.361 1.00 60.44 A ATOM 551 HG22 VAL 32 -10.541 -7.264 5.051 1.00 13.33 A ATOM 552 HG23 VAL 32 -10.154 -8.981 5.147 1.00 44.52 A ATOM 553 C VAL 32 -10.949 -9.819 1.216 1.00 62.23 A ATOM 554 O VAL 32 -10.574 -9.048 0.334 1.00 72.15 A ATOM 555 N ASN 33 -11.837 -10.786 1.005 1.00 4.54 A ATOM 556 HN ASN 33 -12.096 -11.368 1.750 1.00 61.14 A ATOM 557 CA ASN 33 -12.434 -11.001 -0.307 1.00 52.45 A ATOM 558 HA ASN 33 -12.242 -10.124 -0.908 1.00 2.42 A ATOM 559 CB ASN 33 -11.800 -12.216 -0.986 1.00 72.35 A ATOM 560 HB1 ASN 33 -12.411 -12.511 -1.826 1.00 50.01 A ATOM 561 HB2 ASN 33 -11.750 -13.031 -0.278 1.00 43.24 A ATOM 562 CG ASN 33 -10.398 -11.932 -1.489 1.00 21.02 A ATOM 563 OD1 ASN 33 -10.204 -11.127 -2.402 1.00 13.24 A ATOM 564 ND2 ASN 33 -9.411 -12.592 -0.894 1.00 73.05 A ATOM 565 HD21 ASN 33 -9.640 -13.217 -0.175 1.00 71.42 A ATOM 566 HD22 ASN 33 -8.495 -12.428 -1.199 1.00 43.21 A ATOM 567 C ASN 33 -13.943 -11.196 -0.193 1.00 22.42 A ATOM 568 O ASN 33 -14.600 -11.606 -1.150 1.00 32.44 A ATOM 569 N ASP 34 -14.485 -10.902 0.984 1.00 44.24 A ATOM 570 HN ASP 34 -13.908 -10.579 1.708 1.00 70.32 A ATOM 571 CA ASP 34 -15.916 -11.043 1.224 1.00 61.34 A ATOM 572 HA ASP 34 -16.430 -10.832 0.299 1.00 51.34 A ATOM 573 CB ASP 34 -16.242 -12.475 1.655 1.00 13.40 A ATOM 574 HB1 ASP 34 -17.313 -12.582 1.744 1.00 14.50 A ATOM 575 HB2 ASP 34 -15.785 -12.667 2.616 1.00 52.11 A ATOM 576 CG ASP 34 -15.736 -13.507 0.668 1.00 44.20 A ATOM 577 OD1 ASP 34 -16.468 -13.816 -0.294 1.00 20.02 A ATOM 578 OD2 ASP 34 -14.607 -14.007 0.860 1.00 50.22 A ATOM 579 C ASP 34 -16.390 -10.057 2.286 1.00 5.24 A ATOM 580 O ASP 34 -15.655 -9.737 3.221 1.00 74.00 A ATOM 581 N SER 35 -17.620 -9.579 2.136 1.00 75.31 A ATOM 582 HN SER 35 -18.157 -9.873 1.370 1.00 61.21 A ATOM 583 CA SER 35 -18.190 -8.624 3.080 1.00 75.21 A ATOM 584 HA SER 35 -17.628 -7.706 3.003 1.00 73.51 A ATOM 585 CB SER 35 -19.654 -8.344 2.732 1.00 63.32 A ATOM 586 HB1 SER 35 -19.713 -7.943 1.731 1.00 5.25 A ATOM 587 HB2 SER 35 -20.056 -7.627 3.432 1.00 23.22 A ATOM 588 OG SER 35 -20.429 -9.528 2.796 1.00 54.55 A ATOM 589 HG SER 35 -20.680 -9.699 3.708 1.00 43.15 A ATOM 590 C SER 35 -18.086 -9.147 4.510 1.00 73.53 A ATOM 591 O SER 35 -17.865 -8.380 5.448 1.00 73.24 A ATOM 592 N ASP 36 -18.247 -10.457 4.668 1.00 52.44 A ATOM 593 HN ASP 36 -18.421 -11.014 3.881 1.00 70.21 A ATOM 594 CA ASP 36 -18.171 -11.083 5.982 1.00 24.31 A ATOM 595 HA ASP 36 -18.934 -10.641 6.604 1.00 72.22 A ATOM 596 CB ASP 36 -18.428 -12.586 5.870 1.00 52.32 A ATOM 597 HB1 ASP 36 -17.908 -13.095 6.668 1.00 65.12 A ATOM 598 HB2 ASP 36 -18.055 -12.938 4.918 1.00 25.54 A ATOM 599 CG ASP 36 -19.902 -12.929 5.962 1.00 20.10 A ATOM 600 OD1 ASP 36 -20.577 -12.409 6.875 1.00 61.03 A ATOM 601 OD2 ASP 36 -20.381 -13.719 5.120 1.00 24.21 A ATOM 602 C ASP 36 -16.809 -10.833 6.623 1.00 34.43 A ATOM 603 O ASP 36 -16.702 -10.707 7.843 1.00 12.14 A ATOM 604 N GLU 37 -15.773 -10.768 5.795 1.00 43.22 A ATOM 605 HN GLU 37 -15.922 -10.877 4.833 1.00 70.44 A ATOM 606 CA GLU 37 -14.418 -10.536 6.283 1.00 33.30 A ATOM 607 HA GLU 37 -14.320 -11.031 7.237 1.00 72.53 A ATOM 608 CB GLU 37 -13.394 -11.124 5.309 1.00 51.53 A ATOM 609 HB1 GLU 37 -12.408 -10.793 5.602 1.00 30.22 A ATOM 610 HB2 GLU 37 -13.607 -10.755 4.317 1.00 64.42 A ATOM 611 CG GLU 37 -13.396 -12.641 5.267 1.00 31.41 A ATOM 612 HG1 GLU 37 -14.406 -12.984 5.093 1.00 50.42 A ATOM 613 HG2 GLU 37 -13.050 -13.016 6.219 1.00 73.02 A ATOM 614 CD GLU 37 -12.502 -13.196 4.175 1.00 2.41 A ATOM 615 OE1 GLU 37 -12.487 -12.618 3.069 1.00 42.31 A ATOM 616 OE2 GLU 37 -11.816 -14.210 4.428 1.00 55.33 A ATOM 617 C GLU 37 -14.157 -9.045 6.475 1.00 23.23 A ATOM 618 O GLU 37 -13.430 -8.643 7.385 1.00 44.04 A ATOM 619 N LEU 38 -14.754 -8.229 5.613 1.00 22.00 A ATOM 620 HN LEU 38 -15.321 -8.609 4.910 1.00 31.12 A ATOM 621 CA LEU 38 -14.586 -6.783 5.686 1.00 1.34 A ATOM 622 HA LEU 38 -13.527 -6.572 5.700 1.00 61.42 A ATOM 623 CB LEU 38 -15.210 -6.114 4.460 1.00 33.33 A ATOM 624 HB1 LEU 38 -16.098 -6.671 4.197 1.00 41.22 A ATOM 625 HB2 LEU 38 -14.497 -6.174 3.652 1.00 14.04 A ATOM 626 CG LEU 38 -15.609 -4.646 4.626 1.00 61.45 A ATOM 627 HG LEU 38 -14.957 -4.183 5.353 1.00 65.35 A ATOM 628 CD1 LEU 38 -15.452 -3.899 3.309 1.00 25.14 A ATOM 629 HD11 LEU 38 -14.741 -4.418 2.684 1.00 52.44 A ATOM 630 HD12 LEU 38 -15.096 -2.899 3.506 1.00 71.14 A ATOM 631 HD13 LEU 38 -16.407 -3.851 2.808 1.00 4.10 A ATOM 632 CD2 LEU 38 -17.038 -4.537 5.136 1.00 72.31 A ATOM 633 HD21 LEU 38 -17.544 -5.481 4.995 1.00 22.21 A ATOM 634 HD22 LEU 38 -17.558 -3.764 4.587 1.00 60.41 A ATOM 635 HD23 LEU 38 -17.027 -4.287 6.186 1.00 11.44 A ATOM 636 C LEU 38 -15.215 -6.225 6.959 1.00 32.42 A ATOM 637 O LEU 38 -14.601 -5.431 7.673 1.00 50.25 A ATOM 638 N LYS 39 -16.443 -6.648 7.240 1.00 53.33 A ATOM 639 HN LYS 39 -16.881 -7.280 6.632 1.00 12.04 A ATOM 640 CA LYS 39 -17.156 -6.194 8.428 1.00 21.54 A ATOM 641 HA LYS 39 -17.134 -5.114 8.437 1.00 24.33 A ATOM 642 CB LYS 39 -18.612 -6.662 8.384 1.00 33.55 A ATOM 643 HB1 LYS 39 -19.129 -6.271 9.248 1.00 34.12 A ATOM 644 HB2 LYS 39 -18.632 -7.742 8.421 1.00 53.31 A ATOM 645 CG LYS 39 -19.358 -6.213 7.139 1.00 33.11 A ATOM 646 HG1 LYS 39 -18.757 -6.436 6.270 1.00 24.55 A ATOM 647 HG2 LYS 39 -19.529 -5.148 7.198 1.00 24.31 A ATOM 648 CD LYS 39 -20.698 -6.918 7.008 1.00 62.22 A ATOM 649 HD1 LYS 39 -20.535 -7.987 7.020 1.00 0.25 A ATOM 650 HD2 LYS 39 -21.154 -6.633 6.072 1.00 72.35 A ATOM 651 CE LYS 39 -21.637 -6.547 8.145 1.00 55.41 A ATOM 652 HE1 LYS 39 -22.655 -6.623 7.792 1.00 15.02 A ATOM 653 HE2 LYS 39 -21.436 -5.530 8.444 1.00 1.50 A ATOM 654 NZ LYS 39 -21.464 -7.443 9.322 1.00 3.22 A ATOM 655 HZ1 LYS 39 -20.676 -8.101 9.155 1.00 14.02 A ATOM 656 HZ2 LYS 39 -22.332 -7.992 9.485 1.00 42.41 A ATOM 657 HZ3 LYS 39 -21.258 -6.880 10.172 1.00 65.01 A ATOM 658 C LYS 39 -16.483 -6.710 9.696 1.00 0.21 A ATOM 659 O LYS 39 -16.511 -6.055 10.738 1.00 73.12 A ATOM 660 N LYS 40 -15.877 -7.888 9.601 1.00 62.33 A ATOM 661 HN LYS 40 -15.888 -8.365 8.742 1.00 54.41 A ATOM 662 CA LYS 40 -15.194 -8.493 10.739 1.00 63.35 A ATOM 663 HA LYS 40 -15.816 -8.356 11.610 1.00 61.41 A ATOM 664 CB LYS 40 -14.991 -9.990 10.501 1.00 23.43 A ATOM 665 HB1 LYS 40 -14.080 -10.301 10.994 1.00 70.45 A ATOM 666 HB2 LYS 40 -14.893 -10.165 9.440 1.00 40.41 A ATOM 667 CG LYS 40 -16.130 -10.850 11.023 1.00 51.32 A ATOM 668 HG1 LYS 40 -16.227 -11.723 10.395 1.00 42.13 A ATOM 669 HG2 LYS 40 -17.045 -10.277 10.989 1.00 71.12 A ATOM 670 CD LYS 40 -15.883 -11.295 12.454 1.00 24.42 A ATOM 671 HD1 LYS 40 -14.818 -11.391 12.613 1.00 63.43 A ATOM 672 HD2 LYS 40 -16.360 -12.251 12.612 1.00 11.05 A ATOM 673 CE LYS 40 -16.442 -10.295 13.454 1.00 34.31 A ATOM 674 HE1 LYS 40 -15.955 -9.344 13.302 1.00 0.54 A ATOM 675 HE2 LYS 40 -16.236 -10.650 14.452 1.00 1.02 A ATOM 676 NZ LYS 40 -17.913 -10.118 13.296 1.00 5.31 A ATOM 677 HZ1 LYS 40 -18.253 -10.664 12.480 1.00 1.45 A ATOM 678 HZ2 LYS 40 -18.137 -9.114 13.145 1.00 1.22 A ATOM 679 HZ3 LYS 40 -18.406 -10.446 14.151 1.00 3.13 A ATOM 680 C LYS 40 -13.847 -7.819 10.985 1.00 54.21 A ATOM 681 O LYS 40 -13.377 -7.749 12.120 1.00 71.22 A ATOM 682 N GLU 41 -13.234 -7.325 9.915 1.00 43.44 A ATOM 683 HN GLU 41 -13.659 -7.411 9.036 1.00 34.22 A ATOM 684 CA GLU 41 -11.942 -6.655 10.017 1.00 62.23 A ATOM 685 HA GLU 41 -11.287 -7.287 10.598 1.00 21.31 A ATOM 686 CB GLU 41 -11.335 -6.457 8.626 1.00 5.24 A ATOM 687 HB1 GLU 41 -10.659 -5.614 8.660 1.00 43.01 A ATOM 688 HB2 GLU 41 -12.129 -6.241 7.927 1.00 20.22 A ATOM 689 CG GLU 41 -10.566 -7.665 8.119 1.00 22.20 A ATOM 690 HG1 GLU 41 -10.467 -7.588 7.046 1.00 21.52 A ATOM 691 HG2 GLU 41 -11.121 -8.557 8.364 1.00 24.20 A ATOM 692 CD GLU 41 -9.181 -7.773 8.727 1.00 20.22 A ATOM 693 OE1 GLU 41 -8.391 -6.818 8.576 1.00 51.41 A ATOM 694 OE2 GLU 41 -8.887 -8.812 9.354 1.00 61.41 A ATOM 695 C GLU 41 -12.080 -5.309 10.721 1.00 10.42 A ATOM 696 O GLU 41 -11.356 -5.018 11.673 1.00 50.04 A ATOM 697 N MET 42 -13.015 -4.492 10.245 1.00 63.01 A ATOM 698 HN MET 42 -13.561 -4.780 9.485 1.00 61.50 A ATOM 699 CA MET 42 -13.249 -3.178 10.829 1.00 4.53 A ATOM 700 HA MET 42 -12.384 -2.565 10.623 1.00 62.13 A ATOM 701 CB MET 42 -14.481 -2.527 10.199 1.00 60.21 A ATOM 702 HB1 MET 42 -14.841 -1.751 10.857 1.00 12.31 A ATOM 703 HB2 MET 42 -15.250 -3.276 10.084 1.00 21.43 A ATOM 704 CG MET 42 -14.211 -1.909 8.837 1.00 51.04 A ATOM 705 HG1 MET 42 -15.156 -1.664 8.375 1.00 51.12 A ATOM 706 HG2 MET 42 -13.691 -2.630 8.225 1.00 45.41 A ATOM 707 SD MET 42 -13.211 -0.412 8.939 1.00 53.00 A ATOM 708 CE MET 42 -11.757 -0.912 8.020 1.00 35.43 A ATOM 709 HE1 MET 42 -11.822 -0.536 7.010 1.00 12.43 A ATOM 710 HE2 MET 42 -10.875 -0.513 8.498 1.00 51.11 A ATOM 711 HE3 MET 42 -11.699 -1.991 7.999 1.00 31.12 A ATOM 712 C MET 42 -13.431 -3.279 12.341 1.00 5.55 A ATOM 713 O MET 42 -12.948 -2.431 13.093 1.00 5.44 A ATOM 714 N LYS 43 -14.130 -4.319 12.780 1.00 33.24 A ATOM 715 HN LYS 43 -14.490 -4.960 12.132 1.00 51.21 A ATOM 716 CA LYS 43 -14.376 -4.531 14.202 1.00 63.22 A ATOM 717 HA LYS 43 -14.865 -3.651 14.590 1.00 62.54 A ATOM 718 CB LYS 43 -15.291 -5.741 14.407 1.00 61.52 A ATOM 719 HB1 LYS 43 -15.314 -5.986 15.459 1.00 13.32 A ATOM 720 HB2 LYS 43 -14.886 -6.581 13.860 1.00 13.35 A ATOM 721 CG LYS 43 -16.718 -5.511 13.939 1.00 5.13 A ATOM 722 HG1 LYS 43 -17.179 -6.466 13.735 1.00 44.21 A ATOM 723 HG2 LYS 43 -16.700 -4.918 13.037 1.00 2.31 A ATOM 724 CD LYS 43 -17.538 -4.781 14.990 1.00 22.04 A ATOM 725 HD1 LYS 43 -16.949 -3.970 15.395 1.00 30.04 A ATOM 726 HD2 LYS 43 -17.792 -5.473 15.780 1.00 41.41 A ATOM 727 CE LYS 43 -18.821 -4.216 14.402 1.00 10.20 A ATOM 728 HE1 LYS 43 -19.348 -5.008 13.893 1.00 54.23 A ATOM 729 HE2 LYS 43 -18.566 -3.441 13.695 1.00 73.31 A ATOM 730 NZ LYS 43 -19.706 -3.640 15.452 1.00 35.14 A ATOM 731 HZ1 LYS 43 -20.089 -4.401 16.052 1.00 44.52 A ATOM 732 HZ2 LYS 43 -20.499 -3.130 15.011 1.00 25.02 A ATOM 733 HZ3 LYS 43 -19.171 -2.979 16.049 1.00 24.41 A ATOM 734 C LYS 43 -13.066 -4.739 14.955 1.00 23.21 A ATOM 735 O LYS 43 -12.871 -4.197 16.043 1.00 24.12 A ATOM 736 N LYS 44 -12.169 -5.526 14.369 1.00 54.31 A ATOM 737 HN LYS 44 -12.383 -5.928 13.501 1.00 21.41 A ATOM 738 CA LYS 44 -10.876 -5.803 14.982 1.00 51.44 A ATOM 739 HA LYS 44 -11.055 -6.306 15.920 1.00 62.42 A ATOM 740 CB LYS 44 -10.043 -6.713 14.077 1.00 12.22 A ATOM 741 HB1 LYS 44 -8.998 -6.466 14.203 1.00 35.32 A ATOM 742 HB2 LYS 44 -10.325 -6.534 13.050 1.00 44.41 A ATOM 743 CG LYS 44 -10.224 -8.191 14.370 1.00 22.22 A ATOM 744 HG1 LYS 44 -10.082 -8.751 13.456 1.00 41.21 A ATOM 745 HG2 LYS 44 -11.224 -8.356 14.743 1.00 42.20 A ATOM 746 CD LYS 44 -9.226 -8.681 15.407 1.00 34.10 A ATOM 747 HD1 LYS 44 -8.236 -8.354 15.123 1.00 62.03 A ATOM 748 HD2 LYS 44 -9.256 -9.760 15.442 1.00 43.02 A ATOM 749 CE LYS 44 -9.548 -8.135 16.790 1.00 32.53 A ATOM 750 HE1 LYS 44 -9.233 -8.857 17.529 1.00 24.21 A ATOM 751 HE2 LYS 44 -10.614 -7.987 16.864 1.00 15.02 A ATOM 752 NZ LYS 44 -8.859 -6.841 17.050 1.00 20.41 A ATOM 753 HZ1 LYS 44 -8.261 -6.921 17.898 1.00 23.13 A ATOM 754 HZ2 LYS 44 -9.559 -6.088 17.204 1.00 72.10 A ATOM 755 HZ3 LYS 44 -8.261 -6.585 16.239 1.00 40.01 A ATOM 756 C LYS 44 -10.116 -4.508 15.258 1.00 53.11 A ATOM 757 O LYS 44 -9.698 -4.251 16.387 1.00 11.14 A ATOM 758 N LEU 45 -9.942 -3.697 14.220 1.00 32.31 A ATOM 759 HN LEU 45 -10.298 -3.957 13.345 1.00 1.21 A ATOM 760 CA LEU 45 -9.234 -2.430 14.351 1.00 41.45 A ATOM 761 HA LEU 45 -8.205 -2.648 14.593 1.00 23.41 A ATOM 762 CB LEU 45 -9.282 -1.658 13.030 1.00 62.15 A ATOM 763 HB1 LEU 45 -8.581 -0.838 13.102 1.00 32.21 A ATOM 764 HB2 LEU 45 -10.280 -1.265 12.913 1.00 73.33 A ATOM 765 CG LEU 45 -8.942 -2.457 11.773 1.00 65.23 A ATOM 766 HG LEU 45 -9.701 -3.212 11.617 1.00 23.41 A ATOM 767 CD1 LEU 45 -8.924 -1.552 10.552 1.00 54.33 A ATOM 768 HD11 LEU 45 -8.737 -0.534 10.861 1.00 13.32 A ATOM 769 HD12 LEU 45 -9.879 -1.606 10.050 1.00 13.41 A ATOM 770 HD13 LEU 45 -8.145 -1.873 9.876 1.00 1.52 A ATOM 771 CD2 LEU 45 -7.603 -3.162 11.934 1.00 45.12 A ATOM 772 HD21 LEU 45 -6.939 -2.543 12.520 1.00 61.32 A ATOM 773 HD22 LEU 45 -7.167 -3.337 10.960 1.00 33.13 A ATOM 774 HD23 LEU 45 -7.751 -4.107 12.438 1.00 51.24 A ATOM 775 C LEU 45 -9.834 -1.584 15.469 1.00 5.32 A ATOM 776 O LEU 45 -9.111 -1.021 16.291 1.00 23.42 A ATOM 777 N ALA 46 -11.160 -1.499 15.495 1.00 43.12 A ATOM 778 HN ALA 46 -11.682 -1.970 14.812 1.00 5.31 A ATOM 779 CA ALA 46 -11.857 -0.726 16.515 1.00 43.51 A ATOM 780 HA ALA 46 -11.387 0.245 16.576 1.00 31.22 A ATOM 781 CB ALA 46 -13.312 -0.524 16.120 1.00 52.43 A ATOM 782 HB1 ALA 46 -13.817 -1.479 16.105 1.00 44.11 A ATOM 783 HB2 ALA 46 -13.792 0.127 16.837 1.00 3.23 A ATOM 784 HB3 ALA 46 -13.360 -0.075 15.139 1.00 1.14 A ATOM 785 C ALA 46 -11.765 -1.405 17.877 1.00 73.10 A ATOM 786 O ALA 46 -11.963 -0.770 18.912 1.00 71.52 A ATOM 787 N GLU 47 -11.465 -2.700 17.867 1.00 32.22 A ATOM 788 HN GLU 47 -11.319 -3.152 17.011 1.00 63.52 A ATOM 789 CA GLU 47 -11.350 -3.466 19.104 1.00 24.22 A ATOM 790 HA GLU 47 -12.117 -3.120 19.780 1.00 44.02 A ATOM 791 CB GLU 47 -11.563 -4.956 18.829 1.00 71.34 A ATOM 792 HB1 GLU 47 -10.979 -5.527 19.535 1.00 22.02 A ATOM 793 HB2 GLU 47 -11.220 -5.178 17.829 1.00 2.30 A ATOM 794 CG GLU 47 -13.013 -5.395 18.946 1.00 52.11 A ATOM 795 HG1 GLU 47 -13.503 -5.232 17.997 1.00 45.12 A ATOM 796 HG2 GLU 47 -13.497 -4.799 19.706 1.00 65.15 A ATOM 797 CD GLU 47 -13.152 -6.857 19.318 1.00 60.41 A ATOM 798 OE1 GLU 47 -13.916 -7.574 18.637 1.00 73.21 A ATOM 799 OE2 GLU 47 -12.495 -7.287 20.290 1.00 53.42 A ATOM 800 C GLU 47 -9.986 -3.248 19.754 1.00 52.22 A ATOM 801 O GLU 47 -9.794 -3.545 20.931 1.00 35.42 A ATOM 802 N GLU 48 -9.043 -2.726 18.974 1.00 20.53 A ATOM 803 HN GLU 48 -9.257 -2.510 18.044 1.00 60.22 A ATOM 804 CA GLU 48 -7.697 -2.470 19.474 1.00 52.35 A ATOM 805 HA GLU 48 -7.679 -2.720 20.523 1.00 33.12 A ATOM 806 CB GLU 48 -6.680 -3.343 18.736 1.00 73.21 A ATOM 807 HB1 GLU 48 -5.700 -2.902 18.845 1.00 73.31 A ATOM 808 HB2 GLU 48 -6.939 -3.369 17.689 1.00 74.53 A ATOM 809 CG GLU 48 -6.619 -4.771 19.250 1.00 34.03 A ATOM 810 HG1 GLU 48 -7.348 -5.364 18.716 1.00 71.24 A ATOM 811 HG2 GLU 48 -6.858 -4.773 20.303 1.00 31.23 A ATOM 812 CD GLU 48 -5.252 -5.401 19.064 1.00 74.25 A ATOM 813 OE1 GLU 48 -4.764 -5.428 17.913 1.00 13.32 A ATOM 814 OE2 GLU 48 -4.671 -5.867 20.066 1.00 72.24 A ATOM 815 C GLU 48 -7.330 -0.997 19.315 1.00 24.23 A ATOM 816 O GLU 48 -7.852 -0.306 18.441 1.00 50.23 A ATOM 817 N LYS 49 -6.427 -0.523 20.166 1.00 20.55 A ATOM 818 HN LYS 49 -6.046 -1.123 20.843 1.00 52.10 A ATOM 819 CA LYS 49 -5.987 0.866 20.123 1.00 53.00 A ATOM 820 HA LYS 49 -6.286 1.278 19.171 1.00 15.43 A ATOM 821 CB LYS 49 -6.651 1.669 21.245 1.00 64.54 A ATOM 822 HB1 LYS 49 -6.050 1.580 22.138 1.00 23.43 A ATOM 823 HB2 LYS 49 -7.629 1.255 21.437 1.00 54.51 A ATOM 824 CG LYS 49 -6.811 3.144 20.922 1.00 14.34 A ATOM 825 HG1 LYS 49 -5.894 3.510 20.485 1.00 4.01 A ATOM 826 HG2 LYS 49 -7.015 3.683 21.837 1.00 11.43 A ATOM 827 CD LYS 49 -7.953 3.382 19.949 1.00 63.22 A ATOM 828 HD1 LYS 49 -7.920 2.625 19.178 1.00 23.30 A ATOM 829 HD2 LYS 49 -7.836 4.358 19.502 1.00 70.11 A ATOM 830 CE LYS 49 -9.303 3.319 20.646 1.00 51.31 A ATOM 831 HE1 LYS 49 -9.364 2.396 21.202 1.00 24.43 A ATOM 832 HE2 LYS 49 -10.081 3.340 19.898 1.00 1.31 A ATOM 833 NZ LYS 49 -9.498 4.463 21.581 1.00 52.04 A ATOM 834 HZ1 LYS 49 -10.482 4.797 21.535 1.00 61.23 A ATOM 835 HZ2 LYS 49 -8.865 5.246 21.324 1.00 71.14 A ATOM 836 HZ3 LYS 49 -9.289 4.166 22.555 1.00 2.53 A ATOM 837 C LYS 49 -4.470 0.962 20.245 1.00 63.33 A ATOM 838 O LYS 49 -3.937 1.965 20.716 1.00 52.00 A ATOM 839 N ASN 50 -3.779 -0.090 19.814 1.00 34.32 A ATOM 840 HN ASN 50 -4.261 -0.861 19.448 1.00 64.33 A ATOM 841 CA ASN 50 -2.323 -0.124 19.873 1.00 4.45 A ATOM 842 HA ASN 50 -2.017 0.367 20.785 1.00 10.55 A ATOM 843 CB ASN 50 -1.826 -1.572 19.899 1.00 14.31 A ATOM 844 HB1 ASN 50 -0.749 -1.578 19.826 1.00 74.53 A ATOM 845 HB2 ASN 50 -2.245 -2.104 19.058 1.00 21.23 A ATOM 846 CG ASN 50 -2.225 -2.296 21.171 1.00 60.23 A ATOM 847 OD1 ASN 50 -2.316 -1.694 22.239 1.00 2.54 A ATOM 848 ND2 ASN 50 -2.465 -3.598 21.058 1.00 22.54 A ATOM 849 HD21 ASN 50 -2.373 -4.011 20.175 1.00 64.04 A ATOM 850 HD22 ASN 50 -2.725 -4.091 21.864 1.00 0.11 A ATOM 851 C ASN 50 -1.712 0.614 18.687 1.00 5.42 A ATOM 852 O ASN 50 -2.426 1.188 17.864 1.00 22.53 A ATOM 853 N PHE 51 -0.385 0.595 18.605 1.00 53.43 A ATOM 854 HN PHE 51 0.130 0.121 19.291 1.00 34.44 A ATOM 855 CA PHE 51 0.323 1.262 17.518 1.00 73.25 A ATOM 856 HA PHE 51 -0.347 1.987 17.084 1.00 53.33 A ATOM 857 CB PHE 51 1.559 1.986 18.056 1.00 65.11 A ATOM 858 HB1 PHE 51 2.293 2.062 17.268 1.00 61.03 A ATOM 859 HB2 PHE 51 1.974 1.415 18.873 1.00 61.24 A ATOM 860 CG PHE 51 1.272 3.372 18.559 1.00 23.53 A ATOM 861 CD1 PHE 51 1.176 4.436 17.678 1.00 25.24 A ATOM 862 HD1 PHE 51 1.310 4.263 16.620 1.00 63.13 A ATOM 863 CD2 PHE 51 1.098 3.608 19.913 1.00 34.21 A ATOM 864 HD2 PHE 51 1.170 2.784 20.608 1.00 22.13 A ATOM 865 CE1 PHE 51 0.913 5.713 18.139 1.00 21.12 A ATOM 866 HE1 PHE 51 0.840 6.534 17.443 1.00 63.35 A ATOM 867 CE2 PHE 51 0.834 4.883 20.380 1.00 74.22 A ATOM 868 HE2 PHE 51 0.699 5.053 21.438 1.00 40.44 A ATOM 869 CZ PHE 51 0.740 5.935 19.491 1.00 2.03 A ATOM 870 HZ PHE 51 0.535 6.931 19.854 1.00 53.13 A ATOM 871 C PHE 51 0.732 0.262 16.441 1.00 3.00 A ATOM 872 O PHE 51 1.749 0.439 15.770 1.00 15.12 A ATOM 873 N GLU 52 -0.067 -0.789 16.282 1.00 44.45 A ATOM 874 HN GLU 52 -0.862 -0.873 16.848 1.00 74.11 A ATOM 875 CA GLU 52 0.214 -1.816 15.288 1.00 73.42 A ATOM 876 HA GLU 52 1.285 -1.877 15.166 1.00 55.20 A ATOM 877 CB GLU 52 -0.310 -3.174 15.764 1.00 63.24 A ATOM 878 HB1 GLU 52 0.279 -3.497 16.608 1.00 5.12 A ATOM 879 HB2 GLU 52 -0.197 -3.890 14.963 1.00 3.15 A ATOM 880 CG GLU 52 -1.770 -3.151 16.181 1.00 54.45 A ATOM 881 HG1 GLU 52 -2.357 -2.741 15.372 1.00 4.43 A ATOM 882 HG2 GLU 52 -1.872 -2.521 17.053 1.00 72.21 A ATOM 883 CD GLU 52 -2.304 -4.530 16.515 1.00 23.03 A ATOM 884 OE1 GLU 52 -3.239 -4.986 15.825 1.00 32.25 A ATOM 885 OE2 GLU 52 -1.787 -5.152 17.466 1.00 24.05 A ATOM 886 C GLU 52 -0.415 -1.460 13.944 1.00 62.31 A ATOM 887 O GLU 52 -1.615 -1.197 13.856 1.00 24.13 A ATOM 888 N LYS 53 0.405 -1.452 12.898 1.00 13.50 A ATOM 889 HN LYS 53 1.352 -1.668 13.030 1.00 34.31 A ATOM 890 CA LYS 53 -0.068 -1.127 11.556 1.00 14.34 A ATOM 891 HA LYS 53 -0.757 -0.300 11.639 1.00 12.44 A ATOM 892 CB LYS 53 1.105 -0.713 10.667 1.00 52.24 A ATOM 893 HB1 LYS 53 0.716 -0.335 9.732 1.00 74.03 A ATOM 894 HB2 LYS 53 1.715 -1.581 10.468 1.00 24.33 A ATOM 895 CG LYS 53 1.987 0.361 11.282 1.00 35.25 A ATOM 896 HG1 LYS 53 2.737 0.653 10.562 1.00 0.22 A ATOM 897 HG2 LYS 53 2.467 -0.043 12.162 1.00 41.13 A ATOM 898 CD LYS 53 1.180 1.584 11.681 1.00 55.01 A ATOM 899 HD1 LYS 53 0.718 1.403 12.642 1.00 43.43 A ATOM 900 HD2 LYS 53 0.414 1.757 10.939 1.00 11.13 A ATOM 901 CE LYS 53 2.057 2.822 11.779 1.00 42.53 A ATOM 902 HE1 LYS 53 1.470 3.632 12.187 1.00 41.14 A ATOM 903 HE2 LYS 53 2.396 3.087 10.789 1.00 74.13 A ATOM 904 NZ LYS 53 3.242 2.595 12.652 1.00 41.05 A ATOM 905 HZ1 LYS 53 3.454 3.455 13.197 1.00 41.12 A ATOM 906 HZ2 LYS 53 4.071 2.353 12.073 1.00 40.54 A ATOM 907 HZ3 LYS 53 3.054 1.816 13.312 1.00 4.23 A ATOM 908 C LYS 53 -0.797 -2.315 10.936 1.00 11.10 A ATOM 909 O LYS 53 -0.419 -3.466 11.148 1.00 24.30 A ATOM 910 N ILE 54 -1.842 -2.026 10.168 1.00 51.21 A ATOM 911 HN ILE 54 -2.095 -1.088 10.037 1.00 25.22 A ATOM 912 CA ILE 54 -2.621 -3.069 9.514 1.00 12.12 A ATOM 913 HA ILE 54 -2.072 -3.997 9.598 1.00 13.12 A ATOM 914 CB ILE 54 -3.993 -3.255 10.190 1.00 44.41 A ATOM 915 HB ILE 54 -4.566 -2.353 10.045 1.00 43.32 A ATOM 916 CG1 ILE 54 -3.817 -3.501 11.690 1.00 74.41 A ATOM 917 HG11 ILE 54 -4.792 -3.565 12.152 1.00 63.23 A ATOM 918 HG12 ILE 54 -3.272 -2.677 12.122 1.00 31.42 A ATOM 919 CG2 ILE 54 -4.750 -4.405 9.544 1.00 61.20 A ATOM 920 HG21 ILE 54 -5.290 -4.043 8.681 1.00 44.11 A ATOM 921 HG22 ILE 54 -4.050 -5.168 9.235 1.00 74.25 A ATOM 922 HG23 ILE 54 -5.446 -4.824 10.255 1.00 14.43 A ATOM 923 CD1 ILE 54 -3.066 -4.774 12.010 1.00 64.52 A ATOM 924 HD11 ILE 54 -3.658 -5.385 12.676 1.00 65.15 A ATOM 925 HD12 ILE 54 -2.872 -5.318 11.097 1.00 11.05 A ATOM 926 HD13 ILE 54 -2.128 -4.527 12.487 1.00 21.24 A ATOM 927 C ILE 54 -2.833 -2.755 8.037 1.00 11.54 A ATOM 928 O ILE 54 -3.253 -1.652 7.680 1.00 4.35 A ATOM 929 N LEU 55 -2.542 -3.729 7.183 1.00 54.25 A ATOM 930 HN LEU 55 -2.212 -4.585 7.526 1.00 11.54 A ATOM 931 CA LEU 55 -2.703 -3.556 5.743 1.00 41.42 A ATOM 932 HA LEU 55 -2.912 -2.514 5.555 1.00 3.12 A ATOM 933 CB LEU 55 -1.414 -3.946 5.016 1.00 54.30 A ATOM 934 HB1 LEU 55 -1.388 -5.024 4.946 1.00 4.15 A ATOM 935 HB2 LEU 55 -0.582 -3.604 5.613 1.00 54.12 A ATOM 936 CG LEU 55 -1.242 -3.380 3.606 1.00 40.20 A ATOM 937 HG LEU 55 -1.704 -2.402 3.558 1.00 63.10 A ATOM 938 CD1 LEU 55 0.233 -3.218 3.272 1.00 11.35 A ATOM 939 HD11 LEU 55 0.374 -3.319 2.207 1.00 24.43 A ATOM 940 HD12 LEU 55 0.804 -3.976 3.786 1.00 14.14 A ATOM 941 HD13 LEU 55 0.568 -2.241 3.588 1.00 10.54 A ATOM 942 CD2 LEU 55 -1.926 -4.276 2.584 1.00 34.02 A ATOM 943 HD21 LEU 55 -1.190 -4.905 2.107 1.00 23.34 A ATOM 944 HD22 LEU 55 -2.413 -3.665 1.838 1.00 41.32 A ATOM 945 HD23 LEU 55 -2.661 -4.892 3.081 1.00 71.13 A ATOM 946 C LEU 55 -3.867 -4.393 5.221 1.00 40.32 A ATOM 947 O LEU 55 -3.956 -5.590 5.495 1.00 41.13 A ATOM 948 N ILE 56 -4.755 -3.755 4.466 1.00 14.45 A ATOM 949 HN ILE 56 -4.630 -2.800 4.284 1.00 61.43 A ATOM 950 CA ILE 56 -5.912 -4.441 3.902 1.00 3.45 A ATOM 951 HA ILE 56 -6.007 -5.395 4.401 1.00 74.12 A ATOM 952 CB ILE 56 -7.208 -3.640 4.134 1.00 21.55 A ATOM 953 HB ILE 56 -7.107 -2.686 3.644 1.00 55.45 A ATOM 954 CG1 ILE 56 -7.433 -3.414 5.631 1.00 60.33 A ATOM 955 HG11 ILE 56 -8.320 -2.812 5.766 1.00 5.42 A ATOM 956 HG12 ILE 56 -6.583 -2.893 6.041 1.00 2.13 A ATOM 957 CG2 ILE 56 -8.395 -4.367 3.519 1.00 4.30 A ATOM 958 HG21 ILE 56 -9.218 -4.369 4.218 1.00 23.44 A ATOM 959 HG22 ILE 56 -8.695 -3.863 2.613 1.00 4.10 A ATOM 960 HG23 ILE 56 -8.115 -5.385 3.289 1.00 11.25 A ATOM 961 CD1 ILE 56 -7.616 -4.694 6.415 1.00 2.55 A ATOM 962 HD11 ILE 56 -7.671 -5.530 5.734 1.00 73.42 A ATOM 963 HD12 ILE 56 -6.780 -4.829 7.085 1.00 0.51 A ATOM 964 HD13 ILE 56 -8.530 -4.638 6.989 1.00 53.43 A ATOM 965 C ILE 56 -5.735 -4.678 2.408 1.00 62.42 A ATOM 966 O ILE 56 -5.347 -3.776 1.666 1.00 2.05 A ATOM 967 N ILE 57 -6.023 -5.901 1.971 1.00 13.31 A ATOM 968 HN ILE 57 -6.328 -6.578 2.611 1.00 42.44 A ATOM 969 CA ILE 57 -5.899 -6.257 0.562 1.00 21.33 A ATOM 970 HA ILE 57 -5.736 -5.348 0.003 1.00 52.03 A ATOM 971 CB ILE 57 -4.701 -7.194 0.324 1.00 71.31 A ATOM 972 HB ILE 57 -4.890 -8.123 0.841 1.00 3.02 A ATOM 973 CG1 ILE 57 -3.417 -6.568 0.870 1.00 31.40 A ATOM 974 HG11 ILE 57 -3.546 -6.364 1.924 1.00 1.31 A ATOM 975 HG12 ILE 57 -3.225 -5.643 0.350 1.00 10.33 A ATOM 976 CG2 ILE 57 -4.557 -7.502 -1.159 1.00 60.32 A ATOM 977 HG21 ILE 57 -3.791 -8.249 -1.300 1.00 64.40 A ATOM 978 HG22 ILE 57 -5.495 -7.874 -1.542 1.00 55.23 A ATOM 979 HG23 ILE 57 -4.282 -6.601 -1.688 1.00 74.34 A ATOM 980 CD1 ILE 57 -2.199 -7.450 0.714 1.00 70.51 A ATOM 981 HD11 ILE 57 -2.476 -8.359 0.198 1.00 20.24 A ATOM 982 HD12 ILE 57 -1.446 -6.928 0.145 1.00 64.53 A ATOM 983 HD13 ILE 57 -1.806 -7.699 1.690 1.00 44.34 A ATOM 984 C ILE 57 -7.168 -6.931 0.053 1.00 60.04 A ATOM 985 O ILE 57 -7.515 -8.031 0.482 1.00 21.22 A ATOM 986 N SER 58 -7.856 -6.264 -0.868 1.00 52.13 A ATOM 987 HN SER 58 -7.528 -5.390 -1.170 1.00 52.14 A ATOM 988 CA SER 58 -9.088 -6.796 -1.437 1.00 35.00 A ATOM 989 HA SER 58 -9.193 -7.818 -1.103 1.00 74.21 A ATOM 990 CB SER 58 -10.292 -5.986 -0.950 1.00 62.23 A ATOM 991 HB1 SER 58 -10.090 -4.934 -1.082 1.00 11.14 A ATOM 992 HB2 SER 58 -10.462 -6.193 0.095 1.00 32.43 A ATOM 993 OG SER 58 -11.460 -6.322 -1.678 1.00 54.13 A ATOM 994 HG SER 58 -11.976 -5.529 -1.841 1.00 23.34 A ATOM 995 C SER 58 -9.034 -6.781 -2.963 1.00 31.24 A ATOM 996 O SER 58 -8.294 -6.002 -3.559 1.00 44.25 A ATOM 997 N ASN 59 -9.825 -7.651 -3.585 1.00 43.41 A ATOM 998 HN ASN 59 -10.393 -8.246 -3.053 1.00 21.54 A ATOM 999 CA ASN 59 -9.867 -7.739 -5.039 1.00 51.22 A ATOM 1000 HA ASN 59 -9.101 -7.088 -5.434 1.00 13.40 A ATOM 1001 CB ASN 59 -9.583 -9.171 -5.492 1.00 61.25 A ATOM 1002 HB1 ASN 59 -9.992 -9.319 -6.481 1.00 32.24 A ATOM 1003 HB2 ASN 59 -10.054 -9.859 -4.806 1.00 20.52 A ATOM 1004 CG ASN 59 -8.099 -9.481 -5.536 1.00 62.22 A ATOM 1005 OD1 ASN 59 -7.584 -9.967 -6.544 1.00 0.15 A ATOM 1006 ND2 ASN 59 -7.404 -9.199 -4.440 1.00 63.51 A ATOM 1007 HD21 ASN 59 -7.880 -8.815 -3.675 1.00 73.03 A ATOM 1008 HD22 ASN 59 -6.442 -9.389 -4.441 1.00 51.43 A ATOM 1009 C ASN 59 -11.222 -7.284 -5.572 1.00 73.15 A ATOM 1010 O ASN 59 -11.404 -7.123 -6.780 1.00 2.24 A ATOM 1011 N ASP 60 -12.170 -7.078 -4.665 1.00 1.32 A ATOM 1012 HN ASP 60 -11.964 -7.223 -3.717 1.00 51.33 A ATOM 1013 CA ASP 60 -13.509 -6.639 -5.043 1.00 5.31 A ATOM 1014 HA ASP 60 -13.667 -6.911 -6.076 1.00 3.32 A ATOM 1015 CB ASP 60 -14.560 -7.338 -4.179 1.00 61.33 A ATOM 1016 HB1 ASP 60 -14.723 -6.758 -3.283 1.00 72.30 A ATOM 1017 HB2 ASP 60 -14.199 -8.319 -3.908 1.00 41.35 A ATOM 1018 CG ASP 60 -15.886 -7.498 -4.897 1.00 2.30 A ATOM 1019 OD1 ASP 60 -16.717 -8.307 -4.435 1.00 25.22 A ATOM 1020 OD2 ASP 60 -16.092 -6.813 -5.921 1.00 53.44 A ATOM 1021 C ASP 60 -13.644 -5.126 -4.906 1.00 60.43 A ATOM 1022 O ASP 60 -13.058 -4.518 -4.011 1.00 4.21 A ATOM 1023 N LYS 61 -14.420 -4.524 -5.801 1.00 10.22 A ATOM 1024 HN LYS 61 -14.861 -5.062 -6.492 1.00 71.01 A ATOM 1025 CA LYS 61 -14.634 -3.082 -5.781 1.00 44.42 A ATOM 1026 HA LYS 61 -13.683 -2.607 -5.588 1.00 32.11 A ATOM 1027 CB LYS 61 -15.160 -2.604 -7.138 1.00 10.12 A ATOM 1028 HB1 LYS 61 -15.579 -1.616 -7.019 1.00 43.41 A ATOM 1029 HB2 LYS 61 -15.938 -3.279 -7.466 1.00 2.34 A ATOM 1030 CG LYS 61 -14.094 -2.546 -8.217 1.00 4.42 A ATOM 1031 HG1 LYS 61 -13.541 -3.473 -8.216 1.00 62.32 A ATOM 1032 HG2 LYS 61 -13.424 -1.726 -8.004 1.00 42.32 A ATOM 1033 CD LYS 61 -14.704 -2.337 -9.592 1.00 72.05 A ATOM 1034 HD1 LYS 61 -15.263 -1.412 -9.592 1.00 51.22 A ATOM 1035 HD2 LYS 61 -15.368 -3.159 -9.812 1.00 31.20 A ATOM 1036 CE LYS 61 -13.635 -2.268 -10.672 1.00 51.32 A ATOM 1037 HE1 LYS 61 -12.775 -1.748 -10.277 1.00 60.31 A ATOM 1038 HE2 LYS 61 -14.028 -1.722 -11.516 1.00 32.24 A ATOM 1039 NZ LYS 61 -13.217 -3.623 -11.126 1.00 62.22 A ATOM 1040 HZ1 LYS 61 -12.466 -3.992 -10.507 1.00 11.30 A ATOM 1041 HZ2 LYS 61 -12.856 -3.579 -12.100 1.00 41.14 A ATOM 1042 HZ3 LYS 61 -14.026 -4.277 -11.097 1.00 11.41 A ATOM 1043 C LYS 61 -15.612 -2.691 -4.678 1.00 71.42 A ATOM 1044 O LYS 61 -15.574 -1.571 -4.171 1.00 5.04 A ATOM 1045 N GLN 62 -16.486 -3.623 -4.312 1.00 74.10 A ATOM 1046 HN GLN 62 -16.467 -4.497 -4.754 1.00 50.21 A ATOM 1047 CA GLN 62 -17.474 -3.374 -3.268 1.00 61.43 A ATOM 1048 HA GLN 62 -17.966 -2.441 -3.493 1.00 21.13 A ATOM 1049 CB GLN 62 -18.517 -4.494 -3.248 1.00 30.02 A ATOM 1050 HB1 GLN 62 -18.026 -5.424 -3.002 1.00 5.33 A ATOM 1051 HB2 GLN 62 -18.957 -4.578 -4.231 1.00 51.22 A ATOM 1052 CG GLN 62 -19.634 -4.265 -2.243 1.00 12.25 A ATOM 1053 HG1 GLN 62 -19.197 -4.107 -1.268 1.00 22.31 A ATOM 1054 HG2 GLN 62 -20.262 -5.143 -2.216 1.00 31.15 A ATOM 1055 CD GLN 62 -20.495 -3.066 -2.589 1.00 11.01 A ATOM 1056 OE1 GLN 62 -21.258 -3.094 -3.556 1.00 31.41 A ATOM 1057 NE2 GLN 62 -20.377 -2.005 -1.800 1.00 31.41 A ATOM 1058 HE21 GLN 62 -19.748 -2.055 -1.050 1.00 51.23 A ATOM 1059 HE22 GLN 62 -20.921 -1.216 -2.001 1.00 61.51 A ATOM 1060 C GLN 62 -16.805 -3.261 -1.902 1.00 74.31 A ATOM 1061 O GLN 62 -16.979 -2.268 -1.196 1.00 30.15 A ATOM 1062 N LEU 63 -16.041 -4.284 -1.537 1.00 32.54 A ATOM 1063 HN LEU 63 -15.941 -5.049 -2.143 1.00 11.44 A ATOM 1064 CA LEU 63 -15.346 -4.300 -0.255 1.00 71.51 A ATOM 1065 HA LEU 63 -16.090 -4.373 0.525 1.00 33.20 A ATOM 1066 CB LEU 63 -14.418 -5.514 -0.170 1.00 23.30 A ATOM 1067 HB1 LEU 63 -13.777 -5.380 0.690 1.00 32.33 A ATOM 1068 HB2 LEU 63 -13.815 -5.531 -1.065 1.00 73.22 A ATOM 1069 CG LEU 63 -15.102 -6.874 -0.039 1.00 22.52 A ATOM 1070 HG LEU 63 -15.849 -6.972 -0.815 1.00 21.14 A ATOM 1071 CD1 LEU 63 -14.093 -7.999 -0.217 1.00 60.42 A ATOM 1072 HD11 LEU 63 -13.264 -7.648 -0.813 1.00 75.02 A ATOM 1073 HD12 LEU 63 -14.567 -8.833 -0.715 1.00 3.42 A ATOM 1074 HD13 LEU 63 -13.732 -8.316 0.751 1.00 74.35 A ATOM 1075 CD2 LEU 63 -15.802 -6.992 1.307 1.00 25.14 A ATOM 1076 HD21 LEU 63 -15.180 -7.558 1.987 1.00 14.52 A ATOM 1077 HD22 LEU 63 -16.747 -7.499 1.179 1.00 61.35 A ATOM 1078 HD23 LEU 63 -15.974 -6.007 1.711 1.00 5.41 A ATOM 1079 C LEU 63 -14.545 -3.018 -0.053 1.00 15.14 A ATOM 1080 O LEU 63 -14.630 -2.380 0.997 1.00 24.23 A ATOM 1081 N LEU 64 -13.771 -2.646 -1.065 1.00 61.04 A ATOM 1082 HN LEU 64 -13.745 -3.194 -1.876 1.00 35.40 A ATOM 1083 CA LEU 64 -12.956 -1.438 -1.001 1.00 13.40 A ATOM 1084 HA LEU 64 -12.189 -1.595 -0.258 1.00 0.44 A ATOM 1085 CB LEU 64 -12.293 -1.172 -2.354 1.00 31.22 A ATOM 1086 HB1 LEU 64 -13.019 -1.389 -3.126 1.00 2.21 A ATOM 1087 HB2 LEU 64 -11.457 -1.848 -2.450 1.00 21.54 A ATOM 1088 CG LEU 64 -11.776 0.248 -2.582 1.00 21.35 A ATOM 1089 HG LEU 64 -11.499 0.680 -1.630 1.00 25.11 A ATOM 1090 CD1 LEU 64 -10.539 0.231 -3.466 1.00 53.25 A ATOM 1091 HD11 LEU 64 -10.741 -0.347 -4.356 1.00 54.10 A ATOM 1092 HD12 LEU 64 -9.717 -0.216 -2.928 1.00 1.10 A ATOM 1093 HD13 LEU 64 -10.281 1.242 -3.745 1.00 22.23 A ATOM 1094 CD2 LEU 64 -12.862 1.119 -3.197 1.00 1.34 A ATOM 1095 HD21 LEU 64 -13.319 1.721 -2.426 1.00 1.22 A ATOM 1096 HD22 LEU 64 -13.612 0.489 -3.653 1.00 71.03 A ATOM 1097 HD23 LEU 64 -12.426 1.762 -3.946 1.00 61.32 A ATOM 1098 C LEU 64 -13.799 -0.234 -0.591 1.00 21.00 A ATOM 1099 O LEU 64 -13.452 0.494 0.340 1.00 22.44 A ATOM 1100 N LYS 65 -14.909 -0.030 -1.292 1.00 55.22 A ATOM 1101 HN LYS 65 -15.133 -0.643 -2.024 1.00 1.25 A ATOM 1102 CA LYS 65 -15.805 1.083 -0.999 1.00 50.10 A ATOM 1103 HA LYS 65 -15.267 2.000 -1.187 1.00 60.15 A ATOM 1104 CB LYS 65 -17.032 1.030 -1.912 1.00 14.15 A ATOM 1105 HB1 LYS 65 -17.724 1.804 -1.611 1.00 44.24 A ATOM 1106 HB2 LYS 65 -17.510 0.069 -1.797 1.00 13.45 A ATOM 1107 CG LYS 65 -16.706 1.228 -3.382 1.00 13.13 A ATOM 1108 HG1 LYS 65 -15.822 0.656 -3.626 1.00 74.32 A ATOM 1109 HG2 LYS 65 -16.519 2.276 -3.562 1.00 13.32 A ATOM 1110 CD LYS 65 -17.850 0.773 -4.274 1.00 21.02 A ATOM 1111 HD1 LYS 65 -18.095 -0.252 -4.034 1.00 31.25 A ATOM 1112 HD2 LYS 65 -17.539 0.840 -5.306 1.00 31.11 A ATOM 1113 CE LYS 65 -19.087 1.636 -4.077 1.00 1.05 A ATOM 1114 HE1 LYS 65 -19.442 1.508 -3.065 1.00 2.35 A ATOM 1115 HE2 LYS 65 -19.849 1.312 -4.768 1.00 51.35 A ATOM 1116 NZ LYS 65 -18.800 3.079 -4.312 1.00 42.33 A ATOM 1117 HZ1 LYS 65 -19.687 3.598 -4.475 1.00 23.12 A ATOM 1118 HZ2 LYS 65 -18.189 3.191 -5.146 1.00 63.11 A ATOM 1119 HZ3 LYS 65 -18.319 3.486 -3.486 1.00 5.23 A ATOM 1120 C LYS 65 -16.243 1.060 0.462 1.00 72.22 A ATOM 1121 O LYS 65 -15.984 2.002 1.211 1.00 21.54 A ATOM 1122 N GLU 66 -16.907 -0.021 0.859 1.00 62.51 A ATOM 1123 HN GLU 66 -17.083 -0.738 0.214 1.00 30.23 A ATOM 1124 CA GLU 66 -17.380 -0.165 2.231 1.00 44.13 A ATOM 1125 HA GLU 66 -18.151 0.571 2.395 1.00 51.01 A ATOM 1126 CB GLU 66 -17.971 -1.561 2.446 1.00 41.33 A ATOM 1127 HB1 GLU 66 -17.812 -1.851 3.474 1.00 42.12 A ATOM 1128 HB2 GLU 66 -17.458 -2.258 1.801 1.00 74.22 A ATOM 1129 CG GLU 66 -19.459 -1.643 2.152 1.00 15.42 A ATOM 1130 HG1 GLU 66 -19.747 -2.683 2.101 1.00 3.42 A ATOM 1131 HG2 GLU 66 -19.652 -1.170 1.200 1.00 74.23 A ATOM 1132 CD GLU 66 -20.301 -0.957 3.212 1.00 75.34 A ATOM 1133 OE1 GLU 66 -20.900 -1.668 4.045 1.00 31.52 A ATOM 1134 OE2 GLU 66 -20.361 0.289 3.207 1.00 52.24 A ATOM 1135 C GLU 66 -16.248 0.078 3.225 1.00 44.43 A ATOM 1136 O GLU 66 -16.428 0.763 4.231 1.00 44.35 A ATOM 1137 N MET 67 -15.082 -0.491 2.934 1.00 5.41 A ATOM 1138 HN MET 67 -14.999 -1.026 2.118 1.00 33.25 A ATOM 1139 CA MET 67 -13.920 -0.335 3.803 1.00 62.12 A ATOM 1140 HA MET 67 -14.136 -0.829 4.738 1.00 72.14 A ATOM 1141 CB MET 67 -12.691 -0.988 3.167 1.00 2.03 A ATOM 1142 HB1 MET 67 -12.186 -0.257 2.553 1.00 74.11 A ATOM 1143 HB2 MET 67 -13.015 -1.808 2.543 1.00 31.14 A ATOM 1144 CG MET 67 -11.695 -1.524 4.182 1.00 21.22 A ATOM 1145 HG1 MET 67 -11.697 -0.876 5.046 1.00 62.44 A ATOM 1146 HG2 MET 67 -10.711 -1.524 3.737 1.00 71.11 A ATOM 1147 SD MET 67 -12.085 -3.202 4.718 1.00 60.35 A ATOM 1148 CE MET 67 -11.699 -4.129 3.234 1.00 33.44 A ATOM 1149 HE1 MET 67 -11.226 -5.062 3.505 1.00 11.42 A ATOM 1150 HE2 MET 67 -12.610 -4.332 2.690 1.00 22.43 A ATOM 1151 HE3 MET 67 -11.029 -3.552 2.614 1.00 72.34 A ATOM 1152 C MET 67 -13.641 1.139 4.079 1.00 32.15 A ATOM 1153 O MET 67 -13.638 1.575 5.231 1.00 20.04 A ATOM 1154 N LEU 68 -13.407 1.902 3.017 1.00 34.52 A ATOM 1155 HN LEU 68 -13.423 1.497 2.125 1.00 14.40 A ATOM 1156 CA LEU 68 -13.127 3.327 3.146 1.00 54.51 A ATOM 1157 HA LEU 68 -12.170 3.434 3.634 1.00 50.33 A ATOM 1158 CB LEU 68 -13.058 3.981 1.764 1.00 15.42 A ATOM 1159 HB1 LEU 68 -12.742 5.005 1.899 1.00 15.11 A ATOM 1160 HB2 LEU 68 -14.051 3.965 1.341 1.00 31.24 A ATOM 1161 CG LEU 68 -12.111 3.325 0.759 1.00 41.23 A ATOM 1162 HG LEU 68 -12.067 2.263 0.955 1.00 72.45 A ATOM 1163 CD1 LEU 68 -12.621 3.519 -0.661 1.00 14.54 A ATOM 1164 HD11 LEU 68 -12.807 4.569 -0.836 1.00 15.23 A ATOM 1165 HD12 LEU 68 -13.538 2.965 -0.793 1.00 11.15 A ATOM 1166 HD13 LEU 68 -11.881 3.162 -1.361 1.00 43.53 A ATOM 1167 CD2 LEU 68 -10.705 3.890 0.904 1.00 14.10 A ATOM 1168 HD21 LEU 68 -10.398 4.335 -0.031 1.00 52.32 A ATOM 1169 HD22 LEU 68 -10.023 3.095 1.166 1.00 50.32 A ATOM 1170 HD23 LEU 68 -10.698 4.641 1.680 1.00 41.44 A ATOM 1171 C LEU 68 -14.191 4.018 3.994 1.00 31.02 A ATOM 1172 O LEU 68 -13.876 4.683 4.979 1.00 52.24 A ATOM 1173 N GLU 69 -15.451 3.850 3.604 1.00 32.10 A ATOM 1174 HN GLU 69 -15.639 3.308 2.811 1.00 43.32 A ATOM 1175 CA GLU 69 -16.561 4.457 4.331 1.00 30.44 A ATOM 1176 HA GLU 69 -16.490 5.526 4.213 1.00 2.24 A ATOM 1177 CB GLU 69 -17.897 3.981 3.756 1.00 64.03 A ATOM 1178 HB1 GLU 69 -18.698 4.389 4.354 1.00 61.45 A ATOM 1179 HB2 GLU 69 -17.934 2.902 3.809 1.00 72.14 A ATOM 1180 CG GLU 69 -18.119 4.396 2.311 1.00 35.14 A ATOM 1181 HG1 GLU 69 -17.707 3.636 1.664 1.00 50.43 A ATOM 1182 HG2 GLU 69 -17.610 5.332 2.136 1.00 63.42 A ATOM 1183 CD GLU 69 -19.587 4.575 1.976 1.00 73.22 A ATOM 1184 OE1 GLU 69 -20.069 3.903 1.040 1.00 22.30 A ATOM 1185 OE2 GLU 69 -20.255 5.387 2.650 1.00 44.42 A ATOM 1186 C GLU 69 -16.487 4.119 5.818 1.00 63.20 A ATOM 1187 O GLU 69 -16.647 4.992 6.673 1.00 40.23 A ATOM 1188 N LEU 70 -16.243 2.848 6.119 1.00 52.10 A ATOM 1189 HN LEU 70 -16.124 2.199 5.395 1.00 74.00 A ATOM 1190 CA LEU 70 -16.148 2.394 7.502 1.00 2.21 A ATOM 1191 HA LEU 70 -17.045 2.705 8.015 1.00 15.14 A ATOM 1192 CB LEU 70 -16.047 0.869 7.553 1.00 33.32 A ATOM 1193 HB1 LEU 70 -15.795 0.588 8.566 1.00 13.42 A ATOM 1194 HB2 LEU 70 -15.251 0.567 6.889 1.00 10.51 A ATOM 1195 CG LEU 70 -17.306 0.099 7.152 1.00 15.35 A ATOM 1196 HG LEU 70 -17.849 0.670 6.411 1.00 23.10 A ATOM 1197 CD1 LEU 70 -16.939 -1.241 6.535 1.00 32.34 A ATOM 1198 HD11 LEU 70 -17.167 -2.033 7.233 1.00 42.01 A ATOM 1199 HD12 LEU 70 -15.884 -1.255 6.307 1.00 62.13 A ATOM 1200 HD13 LEU 70 -17.506 -1.386 5.627 1.00 2.32 A ATOM 1201 CD2 LEU 70 -18.217 -0.097 8.356 1.00 51.03 A ATOM 1202 HD21 LEU 70 -17.693 -0.658 9.114 1.00 33.42 A ATOM 1203 HD22 LEU 70 -19.101 -0.639 8.053 1.00 34.22 A ATOM 1204 HD23 LEU 70 -18.503 0.866 8.752 1.00 45.10 A ATOM 1205 C LEU 70 -14.942 3.018 8.198 1.00 14.21 A ATOM 1206 O LEU 70 -14.980 3.293 9.398 1.00 62.11 A ATOM 1207 N ILE 71 -13.876 3.241 7.437 1.00 33.01 A ATOM 1208 HN ILE 71 -13.908 3.000 6.488 1.00 44.40 A ATOM 1209 CA ILE 71 -12.661 3.837 7.980 1.00 35.24 A ATOM 1210 HA ILE 71 -12.450 3.357 8.925 1.00 72.23 A ATOM 1211 CB ILE 71 -11.459 3.614 7.045 1.00 44.34 A ATOM 1212 HB ILE 71 -11.690 4.053 6.087 1.00 72.25 A ATOM 1213 CG1 ILE 71 -11.199 2.117 6.859 1.00 22.12 A ATOM 1214 HG11 ILE 71 -12.133 1.582 6.958 1.00 44.32 A ATOM 1215 HG12 ILE 71 -10.514 1.780 7.621 1.00 31.41 A ATOM 1216 CG2 ILE 71 -10.222 4.307 7.597 1.00 33.43 A ATOM 1217 HG21 ILE 71 -10.364 4.512 8.648 1.00 33.32 A ATOM 1218 HG22 ILE 71 -9.363 3.665 7.470 1.00 52.33 A ATOM 1219 HG23 ILE 71 -10.062 5.234 7.068 1.00 71.30 A ATOM 1220 CD1 ILE 71 -10.603 1.769 5.513 1.00 52.41 A ATOM 1221 HD11 ILE 71 -10.508 2.667 4.918 1.00 42.15 A ATOM 1222 HD12 ILE 71 -9.630 1.324 5.652 1.00 1.13 A ATOM 1223 HD13 ILE 71 -11.249 1.069 5.004 1.00 73.53 A ATOM 1224 C ILE 71 -12.839 5.332 8.215 1.00 52.15 A ATOM 1225 O ILE 71 -12.133 5.932 9.024 1.00 2.34 A ATOM 1226 N SER 72 -13.789 5.928 7.501 1.00 10.41 A ATOM 1227 HN SER 72 -14.319 5.396 6.870 1.00 20.15 A ATOM 1228 CA SER 72 -14.059 7.356 7.629 1.00 31.35 A ATOM 1229 HA SER 72 -13.173 7.890 7.321 1.00 23.22 A ATOM 1230 CB SER 72 -15.224 7.760 6.724 1.00 50.33 A ATOM 1231 HB1 SER 72 -16.157 7.553 7.228 1.00 1.24 A ATOM 1232 HB2 SER 72 -15.178 7.191 5.807 1.00 4.21 A ATOM 1233 OG SER 72 -15.170 9.140 6.409 1.00 74.14 A ATOM 1234 HG SER 72 -15.412 9.268 5.488 1.00 11.14 A ATOM 1235 C SER 72 -14.375 7.721 9.077 1.00 72.33 A ATOM 1236 O SER 72 -13.861 8.705 9.608 1.00 3.01 A ATOM 1237 N LYS 73 -15.226 6.920 9.710 1.00 43.01 A ATOM 1238 HN LYS 73 -15.603 6.151 9.233 1.00 61.41 A ATOM 1239 CA LYS 73 -15.611 7.156 11.096 1.00 35.51 A ATOM 1240 HA LYS 73 -16.060 8.136 11.154 1.00 71.43 A ATOM 1241 CB LYS 73 -16.636 6.111 11.547 1.00 44.45 A ATOM 1242 HB1 LYS 73 -16.995 6.378 12.530 1.00 54.41 A ATOM 1243 HB2 LYS 73 -16.150 5.149 11.600 1.00 51.12 A ATOM 1244 CG LYS 73 -17.832 5.992 10.617 1.00 45.32 A ATOM 1245 HG1 LYS 73 -17.607 5.269 9.847 1.00 24.42 A ATOM 1246 HG2 LYS 73 -18.022 6.954 10.166 1.00 52.32 A ATOM 1247 CD LYS 73 -19.076 5.546 11.366 1.00 74.40 A ATOM 1248 HD1 LYS 73 -19.042 5.941 12.372 1.00 52.33 A ATOM 1249 HD2 LYS 73 -19.097 4.467 11.402 1.00 61.44 A ATOM 1250 CE LYS 73 -20.343 6.040 10.684 1.00 34.50 A ATOM 1251 HE1 LYS 73 -20.439 5.543 9.729 1.00 24.22 A ATOM 1252 HE2 LYS 73 -20.263 7.104 10.530 1.00 64.52 A ATOM 1253 NZ LYS 73 -21.557 5.758 11.498 1.00 14.44 A ATOM 1254 HZ1 LYS 73 -21.583 4.753 11.767 1.00 22.40 A ATOM 1255 HZ2 LYS 73 -22.414 5.981 10.954 1.00 61.44 A ATOM 1256 HZ3 LYS 73 -21.549 6.335 12.364 1.00 54.43 A ATOM 1257 C LYS 73 -14.394 7.117 12.014 1.00 43.42 A ATOM 1258 O LYS 73 -14.327 7.846 13.005 1.00 40.35 A ATOM 1259 N LEU 74 -13.432 6.265 11.678 1.00 70.22 A ATOM 1260 HN LEU 74 -13.542 5.710 10.878 1.00 41.54 A ATOM 1261 CA LEU 74 -12.215 6.133 12.471 1.00 22.11 A ATOM 1262 HA LEU 74 -12.504 6.016 13.505 1.00 53.12 A ATOM 1263 CB LEU 74 -11.427 4.899 12.030 1.00 32.52 A ATOM 1264 HB1 LEU 74 -10.476 4.913 12.543 1.00 4.53 A ATOM 1265 HB2 LEU 74 -11.262 4.973 10.966 1.00 13.14 A ATOM 1266 CG LEU 74 -12.087 3.547 12.309 1.00 75.40 A ATOM 1267 HG LEU 74 -13.102 3.566 11.936 1.00 53.51 A ATOM 1268 CD1 LEU 74 -11.345 2.431 11.590 1.00 45.42 A ATOM 1269 HD11 LEU 74 -11.459 2.552 10.523 1.00 34.13 A ATOM 1270 HD12 LEU 74 -11.750 1.478 11.890 1.00 32.32 A ATOM 1271 HD13 LEU 74 -10.296 2.473 11.847 1.00 51.53 A ATOM 1272 CD2 LEU 74 -12.140 3.276 13.806 1.00 41.34 A ATOM 1273 HD21 LEU 74 -13.098 3.588 14.194 1.00 73.12 A ATOM 1274 HD22 LEU 74 -11.354 3.830 14.299 1.00 14.41 A ATOM 1275 HD23 LEU 74 -12.004 2.220 13.986 1.00 52.34 A ATOM 1276 C LEU 74 -11.343 7.378 12.341 1.00 13.13 A ATOM 1277 O LEU 74 -10.861 7.917 13.338 1.00 50.42 A ATOM 1278 N GLY 75 -11.147 7.832 11.108 1.00 54.20 A ATOM 1279 HN GLY 75 -11.557 7.362 10.352 1.00 51.23 A ATOM 1280 CA GLY 75 -10.336 9.012 10.872 1.00 70.03 A ATOM 1281 HA1 GLY 75 -10.448 9.686 11.709 1.00 75.44 A ATOM 1282 HA2 GLY 75 -10.687 9.505 9.977 1.00 34.11 A ATOM 1283 C GLY 75 -8.866 8.681 10.704 1.00 72.00 A ATOM 1284 O GLY 75 -8.003 9.535 10.910 1.00 33.23 A ATOM 1285 N TYR 76 -8.580 7.438 10.332 1.00 0.33 A ATOM 1286 HN TYR 76 -9.311 6.803 10.184 1.00 71.13 A ATOM 1287 CA TYR 76 -7.204 6.995 10.143 1.00 1.13 A ATOM 1288 HA TYR 76 -6.586 7.515 10.861 1.00 70.31 A ATOM 1289 CB TYR 76 -7.092 5.490 10.390 1.00 30.24 A ATOM 1290 HB1 TYR 76 -6.078 5.175 10.192 1.00 32.24 A ATOM 1291 HB2 TYR 76 -7.762 4.971 9.722 1.00 12.33 A ATOM 1292 CG TYR 76 -7.439 5.082 11.803 1.00 24.22 A ATOM 1293 CD1 TYR 76 -7.084 5.877 12.886 1.00 42.53 A ATOM 1294 HD1 TYR 76 -6.552 6.801 12.705 1.00 74.20 A ATOM 1295 CD2 TYR 76 -8.122 3.898 12.058 1.00 21.12 A ATOM 1296 HD2 TYR 76 -8.406 3.268 11.228 1.00 11.22 A ATOM 1297 CE1 TYR 76 -7.398 5.508 14.179 1.00 2.20 A ATOM 1298 HE1 TYR 76 -7.113 6.140 15.007 1.00 62.33 A ATOM 1299 CE2 TYR 76 -8.441 3.520 13.348 1.00 13.42 A ATOM 1300 HE2 TYR 76 -8.973 2.598 13.526 1.00 63.01 A ATOM 1301 CZ TYR 76 -8.077 4.329 14.405 1.00 3.01 A ATOM 1302 OH TYR 76 -8.393 3.957 15.692 1.00 45.41 A ATOM 1303 HH TYR 76 -7.587 3.753 16.172 1.00 1.50 A ATOM 1304 C TYR 76 -6.713 7.329 8.738 1.00 73.02 A ATOM 1305 O TYR 76 -7.439 7.162 7.757 1.00 24.42 A ATOM 1306 N LYS 77 -5.475 7.803 8.648 1.00 54.24 A ATOM 1307 HN LYS 77 -4.946 7.915 9.465 1.00 1.34 A ATOM 1308 CA LYS 77 -4.884 8.160 7.364 1.00 62.15 A ATOM 1309 HA LYS 77 -5.555 8.845 6.868 1.00 43.00 A ATOM 1310 CB LYS 77 -3.534 8.849 7.575 1.00 41.25 A ATOM 1311 HB1 LYS 77 -2.873 8.169 8.093 1.00 13.32 A ATOM 1312 HB2 LYS 77 -3.683 9.729 8.184 1.00 73.32 A ATOM 1313 CG LYS 77 -2.860 9.275 6.282 1.00 42.22 A ATOM 1314 HG1 LYS 77 -2.669 8.399 5.680 1.00 61.10 A ATOM 1315 HG2 LYS 77 -1.925 9.764 6.517 1.00 33.51 A ATOM 1316 CD LYS 77 -3.730 10.238 5.490 1.00 43.01 A ATOM 1317 HD1 LYS 77 -4.333 10.813 6.178 1.00 62.22 A ATOM 1318 HD2 LYS 77 -4.372 9.671 4.833 1.00 55.21 A ATOM 1319 CE LYS 77 -2.889 11.189 4.652 1.00 20.00 A ATOM 1320 HE1 LYS 77 -3.540 11.726 3.979 1.00 54.34 A ATOM 1321 HE2 LYS 77 -2.178 10.614 4.082 1.00 65.33 A ATOM 1322 NZ LYS 77 -2.152 12.168 5.498 1.00 10.11 A ATOM 1323 HZ1 LYS 77 -1.420 11.681 6.054 1.00 44.42 A ATOM 1324 HZ2 LYS 77 -2.808 12.642 6.152 1.00 73.33 A ATOM 1325 HZ3 LYS 77 -1.698 12.887 4.901 1.00 64.03 A ATOM 1326 C LYS 77 -4.704 6.926 6.485 1.00 35.55 A ATOM 1327 O LYS 77 -3.710 6.210 6.600 1.00 20.01 A ATOM 1328 N VAL 78 -5.673 6.684 5.607 1.00 61.54 A ATOM 1329 HN VAL 78 -6.441 7.292 5.562 1.00 24.13 A ATOM 1330 CA VAL 78 -5.620 5.537 4.708 1.00 13.31 A ATOM 1331 HA VAL 78 -4.810 4.899 5.027 1.00 14.15 A ATOM 1332 CB VAL 78 -6.927 4.724 4.759 1.00 72.32 A ATOM 1333 HB VAL 78 -7.745 5.378 4.495 1.00 72.31 A ATOM 1334 CG1 VAL 78 -6.886 3.584 3.753 1.00 70.43 A ATOM 1335 HG11 VAL 78 -5.881 3.475 3.373 1.00 44.31 A ATOM 1336 HG12 VAL 78 -7.191 2.667 4.235 1.00 41.31 A ATOM 1337 HG13 VAL 78 -7.557 3.801 2.934 1.00 53.21 A ATOM 1338 CG2 VAL 78 -7.172 4.197 6.165 1.00 42.53 A ATOM 1339 HG21 VAL 78 -7.623 3.217 6.107 1.00 54.45 A ATOM 1340 HG22 VAL 78 -6.232 4.130 6.693 1.00 63.20 A ATOM 1341 HG23 VAL 78 -7.833 4.868 6.692 1.00 43.33 A ATOM 1342 C VAL 78 -5.364 5.979 3.271 1.00 32.42 A ATOM 1343 O VAL 78 -6.036 6.871 2.755 1.00 4.43 A ATOM 1344 N PHE 79 -4.389 5.345 2.629 1.00 64.30 A ATOM 1345 HN PHE 79 -3.889 4.640 3.094 1.00 62.23 A ATOM 1346 CA PHE 79 -4.043 5.670 1.250 1.00 4.14 A ATOM 1347 HA PHE 79 -4.421 6.659 1.040 1.00 64.41 A ATOM 1348 CB PHE 79 -2.523 5.669 1.070 1.00 72.44 A ATOM 1349 HB1 PHE 79 -2.289 5.941 0.051 1.00 11.44 A ATOM 1350 HB2 PHE 79 -2.145 4.678 1.269 1.00 10.45 A ATOM 1351 CG PHE 79 -1.810 6.627 1.981 1.00 51.32 A ATOM 1352 CD1 PHE 79 -1.378 7.857 1.513 1.00 71.11 A ATOM 1353 HD1 PHE 79 -1.558 8.126 0.482 1.00 14.43 A ATOM 1354 CD2 PHE 79 -1.572 6.296 3.305 1.00 12.22 A ATOM 1355 HD2 PHE 79 -1.905 5.339 3.681 1.00 61.42 A ATOM 1356 CE1 PHE 79 -0.721 8.739 2.349 1.00 0.51 A ATOM 1357 HE1 PHE 79 -0.390 9.697 1.973 1.00 62.24 A ATOM 1358 CE2 PHE 79 -0.916 7.175 4.146 1.00 2.03 A ATOM 1359 HE2 PHE 79 -0.738 6.905 5.177 1.00 45.13 A ATOM 1360 CZ PHE 79 -0.491 8.399 3.668 1.00 63.33 A ATOM 1361 HZ PHE 79 0.023 9.086 4.323 1.00 52.42 A ATOM 1362 C PHE 79 -4.683 4.681 0.280 1.00 4.44 A ATOM 1363 O PHE 79 -4.399 3.483 0.320 1.00 42.44 A ATOM 1364 N LEU 80 -5.548 5.191 -0.589 1.00 42.12 A ATOM 1365 HN LEU 80 -5.733 6.153 -0.572 1.00 72.22 A ATOM 1366 CA LEU 80 -6.230 4.354 -1.571 1.00 63.13 A ATOM 1367 HA LEU 80 -6.383 3.382 -1.126 1.00 61.55 A ATOM 1368 CB LEU 80 -7.589 4.958 -1.929 1.00 25.02 A ATOM 1369 HB1 LEU 80 -7.409 5.885 -2.454 1.00 10.41 A ATOM 1370 HB2 LEU 80 -8.112 5.165 -1.008 1.00 31.20 A ATOM 1371 CG LEU 80 -8.499 4.093 -2.801 1.00 65.34 A ATOM 1372 HG LEU 80 -8.030 3.947 -3.765 1.00 54.53 A ATOM 1373 CD1 LEU 80 -8.702 2.725 -2.168 1.00 61.04 A ATOM 1374 HD11 LEU 80 -9.744 2.451 -2.231 1.00 70.33 A ATOM 1375 HD12 LEU 80 -8.401 2.760 -1.132 1.00 25.30 A ATOM 1376 HD13 LEU 80 -8.104 1.994 -2.693 1.00 71.54 A ATOM 1377 CD2 LEU 80 -9.836 4.784 -3.027 1.00 30.04 A ATOM 1378 HD21 LEU 80 -10.179 4.585 -4.030 1.00 74.20 A ATOM 1379 HD22 LEU 80 -9.718 5.848 -2.890 1.00 53.53 A ATOM 1380 HD23 LEU 80 -10.558 4.407 -2.318 1.00 14.05 A ATOM 1381 C LEU 80 -5.384 4.192 -2.829 1.00 72.14 A ATOM 1382 O LEU 80 -4.780 5.151 -3.312 1.00 74.24 A ATOM 1383 N LEU 81 -5.347 2.974 -3.358 1.00 21.31 A ATOM 1384 HN LEU 81 -5.848 2.250 -2.928 1.00 53.13 A ATOM 1385 CA LEU 81 -4.577 2.686 -4.563 1.00 72.12 A ATOM 1386 HA LEU 81 -4.499 3.600 -5.133 1.00 15.02 A ATOM 1387 CB LEU 81 -3.172 2.208 -4.193 1.00 1.32 A ATOM 1388 HB1 LEU 81 -3.275 1.390 -3.495 1.00 11.52 A ATOM 1389 HB2 LEU 81 -2.660 3.028 -3.713 1.00 34.32 A ATOM 1390 CG LEU 81 -2.299 1.728 -5.353 1.00 20.34 A ATOM 1391 HG LEU 81 -2.847 0.994 -5.928 1.00 13.23 A ATOM 1392 CD1 LEU 81 -1.954 2.885 -6.277 1.00 12.33 A ATOM 1393 HD11 LEU 81 -2.309 2.668 -7.274 1.00 4.41 A ATOM 1394 HD12 LEU 81 -0.883 3.023 -6.297 1.00 72.43 A ATOM 1395 HD13 LEU 81 -2.425 3.787 -5.915 1.00 15.45 A ATOM 1396 CD2 LEU 81 -1.033 1.066 -4.829 1.00 62.15 A ATOM 1397 HD21 LEU 81 -1.286 0.127 -4.361 1.00 41.21 A ATOM 1398 HD22 LEU 81 -0.562 1.715 -4.103 1.00 63.05 A ATOM 1399 HD23 LEU 81 -0.354 0.888 -5.649 1.00 5.43 A ATOM 1400 C LEU 81 -5.276 1.633 -5.417 1.00 60.30 A ATOM 1401 O LEU 81 -5.390 0.473 -5.021 1.00 54.21 A ATOM 1402 N LEU 82 -5.740 2.044 -6.592 1.00 20.21 A ATOM 1403 HN LEU 82 -5.619 2.981 -6.853 1.00 41.12 A ATOM 1404 CA LEU 82 -6.426 1.135 -7.504 1.00 41.10 A ATOM 1405 HA LEU 82 -6.717 0.260 -6.943 1.00 22.31 A ATOM 1406 CB LEU 82 -7.680 1.802 -8.074 1.00 4.13 A ATOM 1407 HB1 LEU 82 -7.983 1.244 -8.946 1.00 73.14 A ATOM 1408 HB2 LEU 82 -7.416 2.808 -8.365 1.00 22.11 A ATOM 1409 CG LEU 82 -8.880 1.889 -7.130 1.00 32.32 A ATOM 1410 HG LEU 82 -8.536 2.171 -6.144 1.00 72.41 A ATOM 1411 CD1 LEU 82 -9.858 2.952 -7.607 1.00 22.44 A ATOM 1412 HD11 LEU 82 -10.121 2.762 -8.636 1.00 51.52 A ATOM 1413 HD12 LEU 82 -9.398 3.926 -7.525 1.00 74.45 A ATOM 1414 HD13 LEU 82 -10.748 2.922 -6.995 1.00 60.13 A ATOM 1415 CD2 LEU 82 -9.571 0.537 -7.021 1.00 3.10 A ATOM 1416 HD21 LEU 82 -10.338 0.463 -7.777 1.00 25.31 A ATOM 1417 HD22 LEU 82 -10.020 0.441 -6.042 1.00 61.10 A ATOM 1418 HD23 LEU 82 -8.846 -0.249 -7.164 1.00 24.11 A ATOM 1419 C LEU 82 -5.504 0.707 -8.641 1.00 40.30 A ATOM 1420 O LEU 82 -4.756 1.518 -9.185 1.00 52.04 A ATOM 1421 N GLN 83 -5.565 -0.572 -8.995 1.00 32.30 A ATOM 1422 HN GLN 83 -6.181 -1.171 -8.524 1.00 53.12 A ATOM 1423 CA GLN 83 -4.737 -1.109 -10.069 1.00 5.14 A ATOM 1424 HA GLN 83 -4.132 -0.302 -10.454 1.00 64.30 A ATOM 1425 CB GLN 83 -3.817 -2.207 -9.533 1.00 61.30 A ATOM 1426 HB1 GLN 83 -4.424 -3.033 -9.191 1.00 25.22 A ATOM 1427 HB2 GLN 83 -3.256 -1.815 -8.699 1.00 4.55 A ATOM 1428 CG GLN 83 -2.832 -2.734 -10.565 1.00 34.15 A ATOM 1429 HG1 GLN 83 -1.932 -2.139 -10.519 1.00 1.32 A ATOM 1430 HG2 GLN 83 -3.275 -2.642 -11.544 1.00 64.35 A ATOM 1431 CD GLN 83 -2.467 -4.187 -10.332 1.00 62.14 A ATOM 1432 OE1 GLN 83 -2.714 -4.739 -9.260 1.00 14.53 A ATOM 1433 NE2 GLN 83 -1.874 -4.816 -11.341 1.00 70.25 A ATOM 1434 HE21 GLN 83 -1.707 -4.312 -12.165 1.00 70.04 A ATOM 1435 HE22 GLN 83 -1.626 -5.755 -11.219 1.00 71.43 A ATOM 1436 C GLN 83 -5.599 -1.659 -11.199 1.00 74.24 A ATOM 1437 O GLN 83 -6.229 -2.707 -11.059 1.00 65.13 A ATOM 1438 N ASP 84 -5.624 -0.944 -12.319 1.00 14.40 A ATOM 1439 HN ASP 84 -5.101 -0.117 -12.370 1.00 14.04 A ATOM 1440 CA ASP 84 -6.410 -1.361 -13.475 1.00 3.32 A ATOM 1441 HA ASP 84 -6.486 -2.438 -13.454 1.00 21.30 A ATOM 1442 CB ASP 84 -7.815 -0.763 -13.406 1.00 53.43 A ATOM 1443 HB1 ASP 84 -7.809 0.208 -13.880 1.00 12.24 A ATOM 1444 HB2 ASP 84 -8.102 -0.652 -12.371 1.00 35.13 A ATOM 1445 CG ASP 84 -8.848 -1.629 -14.100 1.00 13.12 A ATOM 1446 OD1 ASP 84 -9.742 -1.066 -14.768 1.00 21.41 A ATOM 1447 OD2 ASP 84 -8.763 -2.867 -13.975 1.00 63.31 A ATOM 1448 C ASP 84 -5.728 -0.944 -14.774 1.00 72.22 A ATOM 1449 O ASP 84 -5.070 0.095 -14.835 1.00 62.33 A ATOM 1450 N GLN 85 -5.890 -1.761 -15.810 1.00 55.44 A ATOM 1451 HN GLN 85 -6.427 -2.572 -15.700 1.00 5.32 A ATOM 1452 CA GLN 85 -5.289 -1.476 -17.108 1.00 20.11 A ATOM 1453 HA GLN 85 -4.325 -1.021 -16.934 1.00 14.11 A ATOM 1454 CB GLN 85 -5.093 -2.771 -17.898 1.00 23.34 A ATOM 1455 HB1 GLN 85 -5.087 -2.539 -18.953 1.00 52.52 A ATOM 1456 HB2 GLN 85 -5.918 -3.434 -17.688 1.00 62.40 A ATOM 1457 CG GLN 85 -3.799 -3.497 -17.565 1.00 34.32 A ATOM 1458 HG1 GLN 85 -3.923 -4.011 -16.623 1.00 32.20 A ATOM 1459 HG2 GLN 85 -3.006 -2.770 -17.474 1.00 60.23 A ATOM 1460 CD GLN 85 -3.409 -4.511 -18.623 1.00 11.52 A ATOM 1461 OE1 GLN 85 -3.986 -4.543 -19.709 1.00 51.51 A ATOM 1462 NE2 GLN 85 -2.424 -5.344 -18.309 1.00 74.55 A ATOM 1463 HE21 GLN 85 -2.012 -5.261 -17.424 1.00 4.41 A ATOM 1464 HE22 GLN 85 -2.152 -6.010 -18.974 1.00 54.01 A ATOM 1465 C GLN 85 -6.152 -0.505 -17.907 1.00 31.30 A ATOM 1466 O GLN 85 -5.765 -0.059 -18.988 1.00 64.31 A ATOM 1467 N ASP 86 -7.323 -0.183 -17.370 1.00 52.44 A ATOM 1468 HN ASP 86 -7.576 -0.571 -16.507 1.00 21.15 A ATOM 1469 CA ASP 86 -8.242 0.736 -18.032 1.00 45.20 A ATOM 1470 HA ASP 86 -7.903 0.867 -19.050 1.00 14.32 A ATOM 1471 CB ASP 86 -9.655 0.153 -18.050 1.00 15.41 A ATOM 1472 HB1 ASP 86 -10.371 0.962 -18.026 1.00 33.31 A ATOM 1473 HB2 ASP 86 -9.792 -0.470 -17.178 1.00 60.33 A ATOM 1474 CG ASP 86 -9.920 -0.684 -19.285 1.00 34.22 A ATOM 1475 OD1 ASP 86 -10.186 -0.098 -20.355 1.00 43.42 A ATOM 1476 OD2 ASP 86 -9.862 -1.928 -19.181 1.00 64.13 A ATOM 1477 C ASP 86 -8.247 2.095 -17.339 1.00 3.54 A ATOM 1478 O ASP 86 -9.017 2.322 -16.405 1.00 65.10 A ATOM 1479 N GLU 87 -7.382 2.994 -17.800 1.00 24.55 A ATOM 1480 HN GLU 87 -6.794 2.752 -18.546 1.00 21.43 A ATOM 1481 CA GLU 87 -7.286 4.327 -17.221 1.00 0.44 A ATOM 1482 HA GLU 87 -7.071 4.218 -16.167 1.00 75.13 A ATOM 1483 CB GLU 87 -6.151 5.114 -17.880 1.00 2.40 A ATOM 1484 HB1 GLU 87 -6.015 6.042 -17.346 1.00 55.40 A ATOM 1485 HB2 GLU 87 -6.426 5.333 -18.901 1.00 34.40 A ATOM 1486 CG GLU 87 -4.824 4.373 -17.891 1.00 72.44 A ATOM 1487 HG1 GLU 87 -4.767 3.776 -18.790 1.00 13.00 A ATOM 1488 HG2 GLU 87 -4.780 3.726 -17.028 1.00 71.31 A ATOM 1489 CD GLU 87 -3.632 5.310 -17.855 1.00 75.41 A ATOM 1490 OE1 GLU 87 -3.004 5.431 -16.782 1.00 62.40 A ATOM 1491 OE2 GLU 87 -3.329 5.923 -18.900 1.00 22.21 A ATOM 1492 C GLU 87 -8.602 5.085 -17.377 1.00 43.30 A ATOM 1493 O GLU 87 -8.854 6.064 -16.678 1.00 43.12 A ATOM 1494 N ASN 88 -9.437 4.622 -18.303 1.00 65.20 A ATOM 1495 HN ASN 88 -9.179 3.837 -18.830 1.00 15.33 A ATOM 1496 CA ASN 88 -10.726 5.255 -18.553 1.00 51.10 A ATOM 1497 HA ASN 88 -10.581 6.324 -18.526 1.00 10.53 A ATOM 1498 CB ASN 88 -11.251 4.861 -19.935 1.00 31.41 A ATOM 1499 HB1 ASN 88 -12.322 4.739 -19.886 1.00 75.32 A ATOM 1500 HB2 ASN 88 -10.799 3.925 -20.233 1.00 4.53 A ATOM 1501 CG ASN 88 -10.935 5.901 -20.992 1.00 53.01 A ATOM 1502 OD1 ASN 88 -9.834 6.451 -21.029 1.00 55.12 A ATOM 1503 ND2 ASN 88 -11.903 6.176 -21.860 1.00 62.11 A ATOM 1504 HD21 ASN 88 -12.754 5.699 -21.770 1.00 33.33 A ATOM 1505 HD22 ASN 88 -11.725 6.845 -22.555 1.00 13.25 A ATOM 1506 C ASN 88 -11.740 4.867 -17.483 1.00 14.15 A ATOM 1507 O ASN 88 -12.298 5.727 -16.802 1.00 3.24 A ATOM 1508 N GLU 89 -11.974 3.566 -17.339 1.00 43.15 A ATOM 1509 HN GLU 89 -11.498 2.929 -17.912 1.00 51.03 A ATOM 1510 CA GLU 89 -12.921 3.066 -16.350 1.00 31.22 A ATOM 1511 HA GLU 89 -13.834 3.632 -16.449 1.00 11.42 A ATOM 1512 CB GLU 89 -13.225 1.587 -16.605 1.00 42.14 A ATOM 1513 HB1 GLU 89 -13.897 1.233 -15.838 1.00 20.31 A ATOM 1514 HB2 GLU 89 -12.303 1.027 -16.550 1.00 3.54 A ATOM 1515 CG GLU 89 -13.864 1.322 -17.959 1.00 42.12 A ATOM 1516 HG1 GLU 89 -13.853 0.258 -18.145 1.00 43.31 A ATOM 1517 HG2 GLU 89 -13.287 1.826 -18.720 1.00 53.03 A ATOM 1518 CD GLU 89 -15.297 1.813 -18.034 1.00 23.54 A ATOM 1519 OE1 GLU 89 -15.855 2.177 -16.977 1.00 35.51 A ATOM 1520 OE2 GLU 89 -15.859 1.832 -19.148 1.00 11.44 A ATOM 1521 C GLU 89 -12.379 3.247 -14.935 1.00 65.42 A ATOM 1522 O GLU 89 -13.142 3.364 -13.976 1.00 3.54 A ATOM 1523 N LEU 90 -11.056 3.268 -14.815 1.00 21.14 A ATOM 1524 HN LEU 90 -10.500 3.169 -15.614 1.00 40.21 A ATOM 1525 CA LEU 90 -10.409 3.435 -13.518 1.00 34.35 A ATOM 1526 HA LEU 90 -10.807 2.684 -12.850 1.00 42.44 A ATOM 1527 CB LEU 90 -8.899 3.236 -13.649 1.00 65.02 A ATOM 1528 HB1 LEU 90 -8.586 3.688 -14.579 1.00 63.03 A ATOM 1529 HB2 LEU 90 -8.707 2.175 -13.685 1.00 74.52 A ATOM 1530 CG LEU 90 -8.043 3.826 -12.527 1.00 31.10 A ATOM 1531 HG LEU 90 -8.087 4.905 -12.580 1.00 13.14 A ATOM 1532 CD1 LEU 90 -8.577 3.401 -11.168 1.00 22.22 A ATOM 1533 HD11 LEU 90 -7.761 3.048 -10.556 1.00 51.40 A ATOM 1534 HD12 LEU 90 -9.299 2.608 -11.297 1.00 10.34 A ATOM 1535 HD13 LEU 90 -9.051 4.245 -10.687 1.00 43.44 A ATOM 1536 CD2 LEU 90 -6.590 3.405 -12.687 1.00 25.23 A ATOM 1537 HD21 LEU 90 -6.024 3.732 -11.826 1.00 71.45 A ATOM 1538 HD22 LEU 90 -6.180 3.856 -13.579 1.00 11.10 A ATOM 1539 HD23 LEU 90 -6.533 2.330 -12.768 1.00 31.42 A ATOM 1540 C LEU 90 -10.703 4.814 -12.935 1.00 43.23 A ATOM 1541 O LEU 90 -11.077 4.941 -11.771 1.00 32.20 A ATOM 1542 N GLU 91 -10.532 5.845 -13.757 1.00 4.43 A ATOM 1543 HN GLU 91 -10.231 5.681 -14.675 1.00 11.02 A ATOM 1544 CA GLU 91 -10.780 7.215 -13.324 1.00 44.54 A ATOM 1545 HA GLU 91 -10.129 7.422 -12.487 1.00 35.53 A ATOM 1546 CB GLU 91 -10.461 8.197 -14.454 1.00 74.25 A ATOM 1547 HB1 GLU 91 -11.333 8.297 -15.083 1.00 34.22 A ATOM 1548 HB2 GLU 91 -9.648 7.798 -15.042 1.00 11.21 A ATOM 1549 CG GLU 91 -10.065 9.581 -13.966 1.00 20.21 A ATOM 1550 HG1 GLU 91 -9.157 9.498 -13.386 1.00 30.42 A ATOM 1551 HG2 GLU 91 -10.855 9.967 -13.339 1.00 72.13 A ATOM 1552 CD GLU 91 -9.827 10.554 -15.103 1.00 52.32 A ATOM 1553 OE1 GLU 91 -10.494 11.611 -15.129 1.00 61.31 A ATOM 1554 OE2 GLU 91 -8.974 10.261 -15.966 1.00 64.23 A ATOM 1555 C GLU 91 -12.228 7.391 -12.876 1.00 21.33 A ATOM 1556 O GLU 91 -12.499 8.008 -11.847 1.00 10.12 A ATOM 1557 N GLU 92 -13.153 6.845 -13.658 1.00 54.31 A ATOM 1558 HN GLU 92 -12.875 6.365 -14.466 1.00 45.32 A ATOM 1559 CA GLU 92 -14.574 6.942 -13.344 1.00 23.32 A ATOM 1560 HA GLU 92 -14.880 7.965 -13.504 1.00 4.51 A ATOM 1561 CB GLU 92 -15.387 6.030 -14.264 1.00 20.22 A ATOM 1562 HB1 GLU 92 -16.372 5.899 -13.841 1.00 54.05 A ATOM 1563 HB2 GLU 92 -14.899 5.069 -14.321 1.00 72.24 A ATOM 1564 CG GLU 92 -15.541 6.571 -15.675 1.00 53.50 A ATOM 1565 HG1 GLU 92 -14.713 6.221 -16.274 1.00 14.31 A ATOM 1566 HG2 GLU 92 -15.525 7.651 -15.638 1.00 10.43 A ATOM 1567 CD GLU 92 -16.835 6.130 -16.331 1.00 52.21 A ATOM 1568 OE1 GLU 92 -17.034 4.909 -16.490 1.00 64.32 A ATOM 1569 OE2 GLU 92 -17.650 7.008 -16.685 1.00 43.41 A ATOM 1570 C GLU 92 -14.834 6.573 -11.885 1.00 41.10 A ATOM 1571 O GLU 92 -15.520 7.297 -11.164 1.00 4.12 A ATOM 1572 N PHE 93 -14.282 5.442 -11.460 1.00 61.34 A ATOM 1573 HN PHE 93 -13.746 4.907 -12.082 1.00 43.55 A ATOM 1574 CA PHE 93 -14.455 4.976 -10.089 1.00 2.13 A ATOM 1575 HA PHE 93 -15.474 5.178 -9.797 1.00 21.31 A ATOM 1576 CB PHE 93 -14.201 3.470 -10.004 1.00 71.55 A ATOM 1577 HB1 PHE 93 -13.203 3.260 -10.357 1.00 65.11 A ATOM 1578 HB2 PHE 93 -14.915 2.955 -10.632 1.00 21.13 A ATOM 1579 CG PHE 93 -14.327 2.917 -8.614 1.00 52.24 A ATOM 1580 CD1 PHE 93 -15.538 2.965 -7.943 1.00 32.20 A ATOM 1581 HD1 PHE 93 -16.397 3.404 -8.429 1.00 74.50 A ATOM 1582 CD2 PHE 93 -13.234 2.350 -7.978 1.00 74.21 A ATOM 1583 HD2 PHE 93 -12.285 2.308 -8.490 1.00 60.45 A ATOM 1584 CE1 PHE 93 -15.658 2.457 -6.662 1.00 3.11 A ATOM 1585 HE1 PHE 93 -16.608 2.500 -6.150 1.00 5.31 A ATOM 1586 CE2 PHE 93 -13.348 1.840 -6.697 1.00 40.25 A ATOM 1587 HE2 PHE 93 -12.489 1.402 -6.213 1.00 63.21 A ATOM 1588 CZ PHE 93 -14.561 1.894 -6.039 1.00 2.54 A ATOM 1589 HZ PHE 93 -14.652 1.497 -5.039 1.00 31.30 A ATOM 1590 C PHE 93 -13.516 5.714 -9.140 1.00 3.21 A ATOM 1591 O PHE 93 -13.768 5.798 -7.938 1.00 13.22 A ATOM 1592 N LYS 94 -12.430 6.248 -9.690 1.00 11.51 A ATOM 1593 HN LYS 94 -12.284 6.148 -10.653 1.00 64.14 A ATOM 1594 CA LYS 94 -11.452 6.982 -8.894 1.00 61.51 A ATOM 1595 HA LYS 94 -11.178 6.364 -8.053 1.00 75.22 A ATOM 1596 CB LYS 94 -10.201 7.271 -9.728 1.00 71.31 A ATOM 1597 HB1 LYS 94 -10.482 7.877 -10.577 1.00 65.45 A ATOM 1598 HB2 LYS 94 -9.794 6.335 -10.082 1.00 34.22 A ATOM 1599 CG LYS 94 -9.115 8.003 -8.960 1.00 4.21 A ATOM 1600 HG1 LYS 94 -8.150 7.691 -9.332 1.00 4.33 A ATOM 1601 HG2 LYS 94 -9.196 7.753 -7.911 1.00 41.35 A ATOM 1602 CD LYS 94 -9.240 9.509 -9.117 1.00 4.43 A ATOM 1603 HD1 LYS 94 -8.873 9.989 -8.219 1.00 63.45 A ATOM 1604 HD2 LYS 94 -10.279 9.764 -9.261 1.00 72.31 A ATOM 1605 CE LYS 94 -8.440 10.014 -10.307 1.00 72.13 A ATOM 1606 HE1 LYS 94 -8.907 10.912 -10.684 1.00 14.30 A ATOM 1607 HE2 LYS 94 -8.448 9.256 -11.076 1.00 4.41 A ATOM 1608 NZ LYS 94 -7.029 10.319 -9.940 1.00 55.21 A ATOM 1609 HZ1 LYS 94 -6.581 10.886 -10.687 1.00 2.40 A ATOM 1610 HZ2 LYS 94 -6.493 9.436 -9.822 1.00 64.54 A ATOM 1611 HZ3 LYS 94 -6.999 10.852 -9.048 1.00 33.50 A ATOM 1612 C LYS 94 -12.043 8.288 -8.374 1.00 45.22 A ATOM 1613 O LYS 94 -11.974 8.579 -7.181 1.00 14.21 A ATOM 1614 N ARG 95 -12.623 9.072 -9.278 1.00 20.11 A ATOM 1615 HN ARG 95 -12.646 8.784 -10.216 1.00 2.41 A ATOM 1616 CA ARG 95 -13.226 10.346 -8.911 1.00 2.24 A ATOM 1617 HA ARG 95 -12.439 10.995 -8.553 1.00 54.53 A ATOM 1618 CB ARG 95 -13.889 10.992 -10.129 1.00 20.32 A ATOM 1619 HB1 ARG 95 -13.122 11.274 -10.833 1.00 43.01 A ATOM 1620 HB2 ARG 95 -14.416 11.880 -9.809 1.00 71.25 A ATOM 1621 CG ARG 95 -14.878 10.082 -10.838 1.00 65.22 A ATOM 1622 HG1 ARG 95 -15.612 9.738 -10.124 1.00 4.12 A ATOM 1623 HG2 ARG 95 -14.345 9.235 -11.245 1.00 4.43 A ATOM 1624 CD ARG 95 -15.589 10.806 -11.970 1.00 23.04 A ATOM 1625 HD1 ARG 95 -16.239 10.107 -12.475 1.00 24.42 A ATOM 1626 HD2 ARG 95 -14.849 11.174 -12.664 1.00 43.52 A ATOM 1627 NE ARG 95 -16.385 11.929 -11.486 1.00 53.24 A ATOM 1628 HE ARG 95 -16.624 11.941 -10.536 1.00 15.24 A ATOM 1629 CZ ARG 95 -16.797 12.927 -12.261 1.00 4.33 A ATOM 1630 NH1 ARG 95 -16.488 12.938 -13.550 1.00 53.42 A ATOM 1631 HH11 ARG 95 -15.945 12.195 -13.941 1.00 14.14 A ATOM 1632 HH12 ARG 95 -16.800 13.691 -14.132 1.00 72.11 A ATOM 1633 NH2 ARG 95 -17.518 13.915 -11.746 1.00 73.15 A ATOM 1634 HH21 ARG 95 -17.753 13.909 -10.775 1.00 1.11 A ATOM 1635 HH22 ARG 95 -17.827 14.665 -12.332 1.00 31.24 A ATOM 1636 C ARG 95 -14.253 10.162 -7.797 1.00 21.15 A ATOM 1637 O ARG 95 -14.369 10.995 -6.899 1.00 15.41 A ATOM 1638 N LYS 96 -14.996 9.062 -7.862 1.00 34.42 A ATOM 1639 HN LYS 96 -14.857 8.434 -8.603 1.00 22.41 A ATOM 1640 CA LYS 96 -16.014 8.765 -6.861 1.00 64.22 A ATOM 1641 HA LYS 96 -16.791 9.508 -6.947 1.00 15.11 A ATOM 1642 CB LYS 96 -16.617 7.381 -7.111 1.00 23.35 A ATOM 1643 HB1 LYS 96 -16.807 6.907 -6.158 1.00 73.23 A ATOM 1644 HB2 LYS 96 -15.905 6.785 -7.664 1.00 5.52 A ATOM 1645 CG LYS 96 -17.918 7.417 -7.894 1.00 24.33 A ATOM 1646 HG1 LYS 96 -18.553 8.189 -7.484 1.00 4.42 A ATOM 1647 HG2 LYS 96 -18.409 6.460 -7.803 1.00 3.31 A ATOM 1648 CD LYS 96 -17.675 7.707 -9.365 1.00 63.43 A ATOM 1649 HD1 LYS 96 -17.533 6.772 -9.889 1.00 30.42 A ATOM 1650 HD2 LYS 96 -16.787 8.313 -9.463 1.00 43.33 A ATOM 1651 CE LYS 96 -18.847 8.450 -9.989 1.00 10.30 A ATOM 1652 HE1 LYS 96 -18.475 9.083 -10.780 1.00 41.42 A ATOM 1653 HE2 LYS 96 -19.315 9.059 -9.229 1.00 64.23 A ATOM 1654 NZ LYS 96 -19.860 7.514 -10.553 1.00 4.22 A ATOM 1655 HZ1 LYS 96 -19.524 6.534 -10.472 1.00 3.13 A ATOM 1656 HZ2 LYS 96 -20.025 7.730 -11.556 1.00 74.24 A ATOM 1657 HZ3 LYS 96 -20.758 7.606 -10.036 1.00 64.25 A ATOM 1658 C LYS 96 -15.427 8.829 -5.454 1.00 11.55 A ATOM 1659 O LYS 96 -16.024 9.412 -4.548 1.00 52.40 A ATOM 1660 N ILE 97 -14.255 8.227 -5.278 1.00 52.13 A ATOM 1661 HN ILE 97 -13.829 7.780 -6.039 1.00 72.55 A ATOM 1662 CA ILE 97 -13.588 8.220 -3.983 1.00 22.55 A ATOM 1663 HA ILE 97 -14.348 8.258 -3.216 1.00 14.20 A ATOM 1664 CB ILE 97 -12.763 6.933 -3.783 1.00 10.34 A ATOM 1665 HB ILE 97 -11.969 6.925 -4.513 1.00 60.55 A ATOM 1666 CG1 ILE 97 -13.644 5.699 -3.986 1.00 51.10 A ATOM 1667 HG11 ILE 97 -14.217 5.822 -4.894 1.00 13.12 A ATOM 1668 HG12 ILE 97 -14.319 5.604 -3.150 1.00 3.21 A ATOM 1669 CG2 ILE 97 -12.133 6.919 -2.399 1.00 64.51 A ATOM 1670 HG21 ILE 97 -11.180 7.428 -2.431 1.00 14.32 A ATOM 1671 HG22 ILE 97 -12.785 7.422 -1.701 1.00 0.23 A ATOM 1672 HG23 ILE 97 -11.985 5.897 -2.080 1.00 44.54 A ATOM 1673 CD1 ILE 97 -12.861 4.410 -4.100 1.00 71.25 A ATOM 1674 HD11 ILE 97 -12.127 4.502 -4.886 1.00 4.10 A ATOM 1675 HD12 ILE 97 -12.364 4.207 -3.164 1.00 41.32 A ATOM 1676 HD13 ILE 97 -13.536 3.598 -4.332 1.00 41.32 A ATOM 1677 C ILE 97 -12.671 9.428 -3.829 1.00 24.05 A ATOM 1678 O ILE 97 -12.270 9.777 -2.719 1.00 34.32 A ATOM 1679 N GLU 98 -12.343 10.061 -4.950 1.00 14.51 A ATOM 1680 HN GLU 98 -12.694 9.736 -5.804 1.00 73.55 A ATOM 1681 CA GLU 98 -11.474 11.232 -4.940 1.00 1.04 A ATOM 1682 HA GLU 98 -10.573 10.971 -4.405 1.00 33.01 A ATOM 1683 CB GLU 98 -11.104 11.634 -6.368 1.00 13.21 A ATOM 1684 HB1 GLU 98 -11.849 12.325 -6.739 1.00 64.45 A ATOM 1685 HB2 GLU 98 -11.104 10.752 -6.989 1.00 75.32 A ATOM 1686 CG GLU 98 -9.742 12.299 -6.481 1.00 31.34 A ATOM 1687 HG1 GLU 98 -9.363 12.145 -7.481 1.00 61.23 A ATOM 1688 HG2 GLU 98 -9.072 11.839 -5.769 1.00 32.31 A ATOM 1689 CD GLU 98 -9.794 13.788 -6.204 1.00 73.23 A ATOM 1690 OE1 GLU 98 -8.754 14.354 -5.806 1.00 15.33 A ATOM 1691 OE2 GLU 98 -10.874 14.389 -6.386 1.00 41.03 A ATOM 1692 C GLU 98 -12.146 12.402 -4.228 1.00 55.51 A ATOM 1693 O GLU 98 -11.476 13.285 -3.691 1.00 32.33 A ATOM 1694 N SER 99 -13.476 12.403 -4.228 1.00 23.14 A ATOM 1695 HN SER 99 -13.953 11.671 -4.672 1.00 54.53 A ATOM 1696 CA SER 99 -14.240 13.466 -3.586 1.00 50.44 A ATOM 1697 HA SER 99 -13.705 14.393 -3.731 1.00 62.13 A ATOM 1698 CB SER 99 -15.624 13.587 -4.228 1.00 34.44 A ATOM 1699 HB1 SER 99 -16.311 12.924 -3.719 1.00 1.51 A ATOM 1700 HB2 SER 99 -15.562 13.309 -5.268 1.00 44.00 A ATOM 1701 OG SER 99 -16.116 14.912 -4.135 1.00 12.40 A ATOM 1702 HG SER 99 -15.565 15.495 -4.661 1.00 64.23 A ATOM 1703 C SER 99 -14.380 13.209 -2.089 1.00 71.13 A ATOM 1704 O SER 99 -14.434 14.143 -1.290 1.00 54.54 A ATOM 1705 N GLN 100 -14.438 11.933 -1.719 1.00 51.02 A ATOM 1706 HN GLN 100 -14.390 11.233 -2.402 1.00 2.50 A ATOM 1707 CA GLN 100 -14.573 11.552 -0.317 1.00 43.05 A ATOM 1708 HA GLN 100 -15.531 11.904 0.030 1.00 33.25 A ATOM 1709 CB GLN 100 -14.521 10.029 -0.175 1.00 32.11 A ATOM 1710 HB1 GLN 100 -14.520 9.778 0.876 1.00 62.45 A ATOM 1711 HB2 GLN 100 -13.608 9.668 -0.624 1.00 73.34 A ATOM 1712 CG GLN 100 -15.692 9.316 -0.833 1.00 44.21 A ATOM 1713 HG1 GLN 100 -15.531 9.299 -1.902 1.00 5.01 A ATOM 1714 HG2 GLN 100 -16.597 9.864 -0.616 1.00 75.41 A ATOM 1715 CD GLN 100 -15.858 7.891 -0.343 1.00 44.30 A ATOM 1716 OE1 GLN 100 -14.998 7.040 -0.572 1.00 73.43 A ATOM 1717 NE2 GLN 100 -16.967 7.624 0.337 1.00 43.15 A ATOM 1718 HE21 GLN 100 -17.608 8.352 0.479 1.00 3.21 A ATOM 1719 HE22 GLN 100 -17.100 6.712 0.664 1.00 12.33 A ATOM 1720 C GLN 100 -13.477 12.191 0.529 1.00 43.22 A ATOM 1721 O GLN 100 -13.731 13.123 1.290 1.00 24.52 A ATOM 1722 N GLY 101 -12.256 11.682 0.389 1.00 20.51 A ATOM 1723 HN GLY 101 -12.112 10.938 -0.232 1.00 54.03 A ATOM 1724 CA GLY 101 -11.140 12.215 1.149 1.00 65.24 A ATOM 1725 HA1 GLY 101 -11.489 12.500 2.130 1.00 34.40 A ATOM 1726 HA2 GLY 101 -10.762 13.091 0.644 1.00 44.41 A ATOM 1727 C GLY 101 -10.012 11.213 1.303 1.00 15.12 A ATOM 1728 O GLY 101 -9.559 10.945 2.416 1.00 12.12 A ATOM 1729 N TYR 102 -9.560 10.657 0.184 1.00 1.10 A ATOM 1730 HN TYR 102 -9.961 10.912 -0.672 1.00 54.11 A ATOM 1731 CA TYR 102 -8.482 9.676 0.200 1.00 24.25 A ATOM 1732 HA TYR 102 -7.881 9.858 1.080 1.00 23.04 A ATOM 1733 CB TYR 102 -9.054 8.259 0.277 1.00 41.31 A ATOM 1734 HB1 TYR 102 -8.258 7.569 0.514 1.00 1.12 A ATOM 1735 HB2 TYR 102 -9.476 7.997 -0.681 1.00 42.30 A ATOM 1736 CG TYR 102 -10.136 8.098 1.320 1.00 15.41 A ATOM 1737 CD1 TYR 102 -9.816 7.935 2.662 1.00 11.13 A ATOM 1738 HD1 TYR 102 -8.776 7.925 2.956 1.00 35.13 A ATOM 1739 CD2 TYR 102 -11.479 8.110 0.964 1.00 73.43 A ATOM 1740 HD2 TYR 102 -11.745 8.235 -0.076 1.00 40.20 A ATOM 1741 CE1 TYR 102 -10.802 7.787 3.619 1.00 43.00 A ATOM 1742 HE1 TYR 102 -10.533 7.662 4.658 1.00 52.44 A ATOM 1743 CE2 TYR 102 -12.471 7.963 1.914 1.00 75.33 A ATOM 1744 HE2 TYR 102 -13.510 7.974 1.617 1.00 61.20 A ATOM 1745 CZ TYR 102 -12.128 7.802 3.240 1.00 62.02 A ATOM 1746 OH TYR 102 -13.113 7.655 4.189 1.00 73.10 A ATOM 1747 HH TYR 102 -12.734 7.768 5.064 1.00 40.22 A ATOM 1748 C TYR 102 -7.600 9.816 -1.036 1.00 25.24 A ATOM 1749 O TYR 102 -8.097 9.926 -2.156 1.00 4.34 A ATOM 1750 N GLU 103 -6.287 9.807 -0.824 1.00 33.43 A ATOM 1751 HN GLU 103 -5.952 9.716 0.093 1.00 22.34 A ATOM 1752 CA GLU 103 -5.335 9.932 -1.920 1.00 73.11 A ATOM 1753 HA GLU 103 -5.614 10.796 -2.504 1.00 1.23 A ATOM 1754 CB GLU 103 -3.920 10.136 -1.376 1.00 63.10 A ATOM 1755 HB1 GLU 103 -3.592 9.218 -0.911 1.00 22.43 A ATOM 1756 HB2 GLU 103 -3.942 10.918 -0.632 1.00 44.05 A ATOM 1757 CG GLU 103 -2.907 10.517 -2.443 1.00 44.23 A ATOM 1758 HG1 GLU 103 -3.409 11.086 -3.211 1.00 22.43 A ATOM 1759 HG2 GLU 103 -2.499 9.614 -2.873 1.00 74.20 A ATOM 1760 CD GLU 103 -1.764 11.348 -1.891 1.00 54.42 A ATOM 1761 OE1 GLU 103 -1.171 12.128 -2.664 1.00 62.23 A ATOM 1762 OE2 GLU 103 -1.465 11.217 -0.686 1.00 5.12 A ATOM 1763 C GLU 103 -5.375 8.700 -2.818 1.00 62.31 A ATOM 1764 O GLU 103 -4.745 7.683 -2.525 1.00 24.34 A ATOM 1765 N VAL 104 -6.121 8.796 -3.914 1.00 63.32 A ATOM 1766 HN VAL 104 -6.600 9.631 -4.094 1.00 4.50 A ATOM 1767 CA VAL 104 -6.243 7.689 -4.856 1.00 40.40 A ATOM 1768 HA VAL 104 -6.050 6.771 -4.321 1.00 13.51 A ATOM 1769 CB VAL 104 -7.662 7.614 -5.451 1.00 44.00 A ATOM 1770 HB VAL 104 -7.787 8.438 -6.138 1.00 1.33 A ATOM 1771 CG1 VAL 104 -7.847 6.317 -6.225 1.00 32.31 A ATOM 1772 HG11 VAL 104 -7.519 6.457 -7.245 1.00 71.55 A ATOM 1773 HG12 VAL 104 -7.264 5.534 -5.763 1.00 14.02 A ATOM 1774 HG13 VAL 104 -8.891 6.040 -6.219 1.00 53.44 A ATOM 1775 CG2 VAL 104 -8.707 7.744 -4.353 1.00 61.35 A ATOM 1776 HG21 VAL 104 -9.118 8.742 -4.365 1.00 51.13 A ATOM 1777 HG22 VAL 104 -9.498 7.026 -4.522 1.00 64.02 A ATOM 1778 HG23 VAL 104 -8.248 7.553 -3.396 1.00 32.14 A ATOM 1779 C VAL 104 -5.234 7.821 -5.992 1.00 41.23 A ATOM 1780 O VAL 104 -5.247 8.800 -6.737 1.00 62.41 A ATOM 1781 N ARG 105 -4.361 6.826 -6.117 1.00 4.32 A ATOM 1782 HN ARG 105 -4.401 6.073 -5.492 1.00 25.54 A ATOM 1783 CA ARG 105 -3.343 6.830 -7.161 1.00 53.42 A ATOM 1784 HA ARG 105 -3.377 7.792 -7.653 1.00 65.10 A ATOM 1785 CB ARG 105 -1.955 6.633 -6.551 1.00 23.40 A ATOM 1786 HB1 ARG 105 -1.744 5.574 -6.504 1.00 64.01 A ATOM 1787 HB2 ARG 105 -1.953 7.037 -5.550 1.00 60.33 A ATOM 1788 CG ARG 105 -0.842 7.305 -7.338 1.00 42.12 A ATOM 1789 HG1 ARG 105 -0.861 6.942 -8.354 1.00 34.32 A ATOM 1790 HG2 ARG 105 0.107 7.060 -6.883 1.00 72.30 A ATOM 1791 CD ARG 105 -1.004 8.817 -7.350 1.00 12.14 A ATOM 1792 HD1 ARG 105 -1.375 9.133 -6.385 1.00 21.00 A ATOM 1793 HD2 ARG 105 -1.718 9.083 -8.114 1.00 12.44 A ATOM 1794 NE ARG 105 0.257 9.502 -7.620 1.00 45.04 A ATOM 1795 HE ARG 105 0.376 9.902 -8.507 1.00 30.41 A ATOM 1796 CZ ARG 105 1.241 9.607 -6.733 1.00 10.12 A ATOM 1797 NH1 ARG 105 1.109 9.076 -5.525 1.00 43.30 A ATOM 1798 HH11 ARG 105 0.268 8.595 -5.281 1.00 1.33 A ATOM 1799 HH12 ARG 105 1.852 9.156 -4.861 1.00 12.54 A ATOM 1800 NH2 ARG 105 2.359 10.245 -7.054 1.00 24.21 A ATOM 1801 HH21 ARG 105 2.462 10.646 -7.964 1.00 4.05 A ATOM 1802 HH22 ARG 105 3.099 10.325 -6.386 1.00 52.21 A ATOM 1803 C ARG 105 -3.618 5.740 -8.193 1.00 75.33 A ATOM 1804 O ARG 105 -4.123 4.667 -7.858 1.00 42.35 A ATOM 1805 N LYS 106 -3.284 6.021 -9.447 1.00 52.21 A ATOM 1806 HN LYS 106 -2.886 6.894 -9.652 1.00 64.31 A ATOM 1807 CA LYS 106 -3.494 5.066 -10.528 1.00 42.40 A ATOM 1808 HA LYS 106 -4.240 4.356 -10.204 1.00 11.23 A ATOM 1809 CB LYS 106 -4.000 5.784 -11.781 1.00 32.02 A ATOM 1810 HB1 LYS 106 -4.240 5.046 -12.533 1.00 24.45 A ATOM 1811 HB2 LYS 106 -3.216 6.425 -12.155 1.00 63.14 A ATOM 1812 CG LYS 106 -5.235 6.634 -11.537 1.00 72.21 A ATOM 1813 HG1 LYS 106 -5.115 7.169 -10.606 1.00 44.31 A ATOM 1814 HG2 LYS 106 -6.099 5.989 -11.475 1.00 3.33 A ATOM 1815 CD LYS 106 -5.452 7.636 -12.658 1.00 55.13 A ATOM 1816 HD1 LYS 106 -4.566 8.246 -12.761 1.00 62.43 A ATOM 1817 HD2 LYS 106 -6.296 8.264 -12.411 1.00 64.44 A ATOM 1818 CE LYS 106 -5.731 6.941 -13.982 1.00 2.31 A ATOM 1819 HE1 LYS 106 -6.370 6.089 -13.798 1.00 50.35 A ATOM 1820 HE2 LYS 106 -4.795 6.603 -14.400 1.00 42.43 A ATOM 1821 NZ LYS 106 -6.399 7.848 -14.957 1.00 3.52 A ATOM 1822 HZ1 LYS 106 -7.067 7.310 -15.544 1.00 60.31 A ATOM 1823 HZ2 LYS 106 -5.690 8.293 -15.574 1.00 34.30 A ATOM 1824 HZ3 LYS 106 -6.919 8.594 -14.451 1.00 73.22 A ATOM 1825 C LYS 106 -2.206 4.313 -10.847 1.00 43.04 A ATOM 1826 O LYS 106 -1.116 4.886 -10.815 1.00 75.15 A ATOM 1827 N VAL 107 -2.338 3.026 -11.155 1.00 3.53 A ATOM 1828 HN VAL 107 -3.232 2.627 -11.162 1.00 11.35 A ATOM 1829 CA VAL 107 -1.184 2.196 -11.481 1.00 54.45 A ATOM 1830 HA VAL 107 -0.462 2.816 -11.993 1.00 1.14 A ATOM 1831 CB VAL 107 -0.522 1.630 -10.210 1.00 52.42 A ATOM 1832 HB VAL 107 -0.258 2.457 -9.568 1.00 51.34 A ATOM 1833 CG1 VAL 107 -1.492 0.733 -9.457 1.00 11.13 A ATOM 1834 HG11 VAL 107 -1.632 -0.187 -10.007 1.00 2.52 A ATOM 1835 HG12 VAL 107 -1.093 0.512 -8.478 1.00 5.43 A ATOM 1836 HG13 VAL 107 -2.442 1.237 -9.353 1.00 1.10 A ATOM 1837 CG2 VAL 107 0.750 0.877 -10.565 1.00 61.53 A ATOM 1838 HG21 VAL 107 1.559 1.221 -9.937 1.00 73.35 A ATOM 1839 HG22 VAL 107 0.598 -0.181 -10.405 1.00 72.31 A ATOM 1840 HG23 VAL 107 0.997 1.051 -11.601 1.00 11.23 A ATOM 1841 C VAL 107 -1.580 1.040 -12.393 1.00 51.32 A ATOM 1842 O VAL 107 -2.572 0.353 -12.149 1.00 32.24 A ATOM 1843 N THR 108 -0.797 0.830 -13.446 1.00 12.10 A ATOM 1844 HN THR 108 -0.021 1.412 -13.588 1.00 73.31 A ATOM 1845 CA THR 108 -1.066 -0.242 -14.396 1.00 24.44 A ATOM 1846 HA THR 108 -1.956 -0.761 -14.071 1.00 40.35 A ATOM 1847 CB THR 108 -1.317 0.311 -15.812 1.00 75.51 A ATOM 1848 HB THR 108 -1.446 -0.521 -16.489 1.00 1.45 A ATOM 1849 OG1 THR 108 -0.196 1.092 -16.239 1.00 53.14 A ATOM 1850 HG1 THR 108 -0.371 1.452 -17.111 1.00 53.52 A ATOM 1851 CG2 THR 108 -2.578 1.162 -15.844 1.00 5.30 A ATOM 1852 HG21 THR 108 -2.344 2.136 -16.248 1.00 60.33 A ATOM 1853 HG22 THR 108 -2.963 1.272 -14.841 1.00 41.53 A ATOM 1854 HG23 THR 108 -3.320 0.683 -16.463 1.00 44.15 A ATOM 1855 C THR 108 0.092 -1.232 -14.449 1.00 10.11 A ATOM 1856 O THR 108 -0.103 -2.415 -14.729 1.00 2.35 A ATOM 1857 N ASP 109 1.296 -0.742 -14.175 1.00 43.04 A ATOM 1858 HN ASP 109 1.387 0.209 -13.960 1.00 24.23 A ATOM 1859 CA ASP 109 2.486 -1.585 -14.190 1.00 30.33 A ATOM 1860 HA ASP 109 2.406 -2.258 -15.031 1.00 30.44 A ATOM 1861 CB ASP 109 3.742 -0.729 -14.356 1.00 3.11 A ATOM 1862 HB1 ASP 109 4.576 -1.229 -13.886 1.00 31.51 A ATOM 1863 HB2 ASP 109 3.585 0.226 -13.877 1.00 72.30 A ATOM 1864 CG ASP 109 4.087 -0.485 -15.812 1.00 4.24 A ATOM 1865 OD1 ASP 109 3.749 -1.341 -16.654 1.00 32.23 A ATOM 1866 OD2 ASP 109 4.697 0.564 -16.109 1.00 1.12 A ATOM 1867 C ASP 109 2.583 -2.411 -12.911 1.00 10.32 A ATOM 1868 O ASP 109 2.496 -1.873 -11.806 1.00 13.45 A ATOM 1869 N ASP 110 2.763 -3.718 -13.066 1.00 52.44 A ATOM 1870 HN ASP 110 2.825 -4.085 -13.973 1.00 34.45 A ATOM 1871 CA ASP 110 2.872 -4.617 -11.923 1.00 54.34 A ATOM 1872 HA ASP 110 1.938 -4.579 -11.383 1.00 20.14 A ATOM 1873 CB ASP 110 3.116 -6.050 -12.397 1.00 33.53 A ATOM 1874 HB1 ASP 110 2.254 -6.390 -12.951 1.00 71.14 A ATOM 1875 HB2 ASP 110 3.260 -6.687 -11.536 1.00 34.41 A ATOM 1876 CG ASP 110 4.337 -6.165 -13.287 1.00 60.14 A ATOM 1877 OD1 ASP 110 4.205 -5.934 -14.507 1.00 63.52 A ATOM 1878 OD2 ASP 110 5.425 -6.489 -12.765 1.00 34.02 A ATOM 1879 C ASP 110 3.996 -4.177 -10.992 1.00 63.13 A ATOM 1880 O ASP 110 3.903 -4.334 -9.774 1.00 63.45 A ATOM 1881 N GLU 111 5.058 -3.627 -11.572 1.00 2.23 A ATOM 1882 HN GLU 111 5.073 -3.529 -12.547 1.00 3.54 A ATOM 1883 CA GLU 111 6.201 -3.167 -10.792 1.00 44.32 A ATOM 1884 HA GLU 111 6.372 -3.880 -10.001 1.00 73.45 A ATOM 1885 CB GLU 111 7.451 -3.093 -11.672 1.00 72.24 A ATOM 1886 HB1 GLU 111 7.659 -4.078 -12.065 1.00 35.22 A ATOM 1887 HB2 GLU 111 8.286 -2.774 -11.066 1.00 55.30 A ATOM 1888 CG GLU 111 7.315 -2.133 -12.844 1.00 22.01 A ATOM 1889 HG1 GLU 111 7.284 -1.123 -12.463 1.00 52.32 A ATOM 1890 HG2 GLU 111 6.394 -2.350 -13.364 1.00 4.31 A ATOM 1891 CD GLU 111 8.465 -2.245 -13.826 1.00 34.55 A ATOM 1892 OE1 GLU 111 8.278 -1.869 -15.001 1.00 61.24 A ATOM 1893 OE2 GLU 111 9.550 -2.712 -13.419 1.00 51.43 A ATOM 1894 C GLU 111 5.922 -1.800 -10.171 1.00 43.13 A ATOM 1895 O GLU 111 6.301 -1.537 -9.031 1.00 11.25 A ATOM 1896 N GLU 112 5.258 -0.936 -10.932 1.00 32.32 A ATOM 1897 HN GLU 112 4.983 -1.204 -11.833 1.00 53.21 A ATOM 1898 CA GLU 112 4.929 0.403 -10.457 1.00 25.33 A ATOM 1899 HA GLU 112 5.853 0.897 -10.196 1.00 15.31 A ATOM 1900 CB GLU 112 4.232 1.202 -11.559 1.00 44.42 A ATOM 1901 HB1 GLU 112 3.317 0.697 -11.829 1.00 52.22 A ATOM 1902 HB2 GLU 112 4.879 1.241 -12.423 1.00 43.22 A ATOM 1903 CG GLU 112 3.890 2.627 -11.155 1.00 55.24 A ATOM 1904 HG1 GLU 112 4.734 3.052 -10.633 1.00 44.25 A ATOM 1905 HG2 GLU 112 3.036 2.604 -10.495 1.00 75.51 A ATOM 1906 CD GLU 112 3.558 3.507 -12.344 1.00 44.23 A ATOM 1907 OE1 GLU 112 2.384 3.913 -12.472 1.00 61.14 A ATOM 1908 OE2 GLU 112 4.472 3.792 -13.146 1.00 65.43 A ATOM 1909 C GLU 112 4.038 0.338 -9.220 1.00 25.35 A ATOM 1910 O GLU 112 4.220 1.099 -8.271 1.00 41.31 A ATOM 1911 N ALA 113 3.075 -0.577 -9.239 1.00 73.21 A ATOM 1912 HN ALA 113 2.980 -1.155 -10.025 1.00 22.14 A ATOM 1913 CA ALA 113 2.156 -0.742 -8.120 1.00 22.35 A ATOM 1914 HA ALA 113 1.525 0.133 -8.074 1.00 53.42 A ATOM 1915 CB ALA 113 1.266 -1.957 -8.344 1.00 12.41 A ATOM 1916 HB1 ALA 113 0.942 -2.345 -7.388 1.00 63.21 A ATOM 1917 HB2 ALA 113 0.404 -1.668 -8.925 1.00 53.13 A ATOM 1918 HB3 ALA 113 1.820 -2.716 -8.873 1.00 62.01 A ATOM 1919 C ALA 113 2.914 -0.876 -6.803 1.00 31.02 A ATOM 1920 O ALA 113 2.469 -0.380 -5.766 1.00 63.12 A ATOM 1921 N LEU 114 4.059 -1.546 -6.850 1.00 64.10 A ATOM 1922 HN LEU 114 4.362 -1.918 -7.705 1.00 32.23 A ATOM 1923 CA LEU 114 4.879 -1.745 -5.661 1.00 3.31 A ATOM 1924 HA LEU 114 4.227 -2.047 -4.856 1.00 15.04 A ATOM 1925 CB LEU 114 5.911 -2.848 -5.906 1.00 2.15 A ATOM 1926 HB1 LEU 114 6.255 -3.199 -4.943 1.00 12.43 A ATOM 1927 HB2 LEU 114 6.739 -2.412 -6.444 1.00 12.14 A ATOM 1928 CG LEU 114 5.423 -4.059 -6.700 1.00 12.32 A ATOM 1929 HG LEU 114 5.103 -3.734 -7.681 1.00 61.54 A ATOM 1930 CD1 LEU 114 6.548 -5.066 -6.885 1.00 31.23 A ATOM 1931 HD11 LEU 114 6.274 -6.001 -6.418 1.00 43.21 A ATOM 1932 HD12 LEU 114 7.449 -4.686 -6.426 1.00 62.11 A ATOM 1933 HD13 LEU 114 6.720 -5.225 -7.938 1.00 73.23 A ATOM 1934 CD2 LEU 114 4.233 -4.707 -6.007 1.00 1.45 A ATOM 1935 HD21 LEU 114 4.476 -4.889 -4.970 1.00 64.30 A ATOM 1936 HD22 LEU 114 4.001 -5.645 -6.492 1.00 52.12 A ATOM 1937 HD23 LEU 114 3.379 -4.049 -6.066 1.00 64.23 A ATOM 1938 C LEU 114 5.584 -0.453 -5.263 1.00 43.23 A ATOM 1939 O LEU 114 5.802 -0.190 -4.079 1.00 54.54 A ATOM 1940 N LYS 115 5.938 0.353 -6.258 1.00 73.43 A ATOM 1941 HN LYS 115 5.737 0.088 -7.181 1.00 22.20 A ATOM 1942 CA LYS 115 6.615 1.622 -6.014 1.00 71.50 A ATOM 1943 HA LYS 115 7.479 1.422 -5.399 1.00 32.00 A ATOM 1944 CB LYS 115 7.077 2.239 -7.336 1.00 33.53 A ATOM 1945 HB1 LYS 115 7.718 3.082 -7.120 1.00 51.35 A ATOM 1946 HB2 LYS 115 6.210 2.587 -7.879 1.00 3.11 A ATOM 1947 CG LYS 115 7.841 1.273 -8.225 1.00 63.24 A ATOM 1948 HG1 LYS 115 7.772 1.609 -9.249 1.00 51.32 A ATOM 1949 HG2 LYS 115 7.401 0.292 -8.136 1.00 24.43 A ATOM 1950 CD LYS 115 9.306 1.192 -7.830 1.00 4.45 A ATOM 1951 HD1 LYS 115 9.659 2.184 -7.583 1.00 51.14 A ATOM 1952 HD2 LYS 115 9.874 0.803 -8.662 1.00 10.23 A ATOM 1953 CE LYS 115 9.511 0.284 -6.629 1.00 34.42 A ATOM 1954 HE1 LYS 115 8.752 -0.486 -6.643 1.00 63.32 A ATOM 1955 HE2 LYS 115 9.411 0.869 -5.728 1.00 12.24 A ATOM 1956 NZ LYS 115 10.854 -0.361 -6.641 1.00 14.40 A ATOM 1957 HZ1 LYS 115 11.577 0.329 -6.931 1.00 54.54 A ATOM 1958 HZ2 LYS 115 10.862 -1.156 -7.310 1.00 11.13 A ATOM 1959 HZ3 LYS 115 11.089 -0.716 -5.693 1.00 3.35 A ATOM 1960 C LYS 115 5.699 2.593 -5.278 1.00 43.52 A ATOM 1961 O LYS 115 6.060 3.125 -4.228 1.00 14.44 A ATOM 1962 N ILE 116 4.515 2.821 -5.835 1.00 55.33 A ATOM 1963 HN ILE 116 4.285 2.367 -6.673 1.00 23.52 A ATOM 1964 CA ILE 116 3.547 3.728 -5.231 1.00 2.12 A ATOM 1965 HA ILE 116 3.948 4.729 -5.289 1.00 22.21 A ATOM 1966 CB ILE 116 2.203 3.699 -5.981 1.00 73.14 A ATOM 1967 HB ILE 116 1.774 2.715 -5.868 1.00 72.14 A ATOM 1968 CG1 ILE 116 2.418 3.984 -7.469 1.00 41.41 A ATOM 1969 HG11 ILE 116 1.460 3.997 -7.967 1.00 14.42 A ATOM 1970 HG12 ILE 116 3.029 3.204 -7.893 1.00 42.13 A ATOM 1971 CG2 ILE 116 1.238 4.708 -5.376 1.00 75.22 A ATOM 1972 HG21 ILE 116 1.744 5.276 -4.611 1.00 40.21 A ATOM 1973 HG22 ILE 116 0.888 5.377 -6.149 1.00 13.24 A ATOM 1974 HG23 ILE 116 0.397 4.188 -4.943 1.00 42.41 A ATOM 1975 CD1 ILE 116 3.101 5.307 -7.737 1.00 11.22 A ATOM 1976 HD11 ILE 116 2.588 5.822 -8.536 1.00 64.53 A ATOM 1977 HD12 ILE 116 3.077 5.913 -6.844 1.00 10.21 A ATOM 1978 HD13 ILE 116 4.128 5.130 -8.024 1.00 54.31 A ATOM 1979 C ILE 116 3.307 3.377 -3.765 1.00 54.35 A ATOM 1980 O ILE 116 2.949 4.236 -2.960 1.00 52.35 A ATOM 1981 N VAL 117 3.507 2.107 -3.426 1.00 22.20 A ATOM 1982 HN VAL 117 3.792 1.468 -4.112 1.00 70.12 A ATOM 1983 CA VAL 117 3.315 1.643 -2.059 1.00 22.15 A ATOM 1984 HA VAL 117 2.370 2.028 -1.704 1.00 64.12 A ATOM 1985 CB VAL 117 3.265 0.104 -1.989 1.00 63.00 A ATOM 1986 HB VAL 117 4.192 -0.284 -2.385 1.00 23.12 A ATOM 1987 CG1 VAL 117 3.131 -0.361 -0.547 1.00 62.55 A ATOM 1988 HG11 VAL 117 2.606 -1.306 -0.522 1.00 63.22 A ATOM 1989 HG12 VAL 117 4.114 -0.484 -0.115 1.00 54.31 A ATOM 1990 HG13 VAL 117 2.577 0.372 0.018 1.00 12.01 A ATOM 1991 CG2 VAL 117 2.122 -0.430 -2.839 1.00 44.03 A ATOM 1992 HG21 VAL 117 1.252 -0.579 -2.219 1.00 71.01 A ATOM 1993 HG22 VAL 117 1.890 0.281 -3.620 1.00 44.11 A ATOM 1994 HG23 VAL 117 2.413 -1.370 -3.286 1.00 11.34 A ATOM 1995 C VAL 117 4.428 2.144 -1.146 1.00 43.40 A ATOM 1996 O VAL 117 4.169 2.639 -0.048 1.00 5.12 A ATOM 1997 N ARG 118 5.668 2.015 -1.606 1.00 71.33 A ATOM 1998 HN ARG 118 5.810 1.612 -2.489 1.00 4.54 A ATOM 1999 CA ARG 118 6.821 2.455 -0.832 1.00 45.23 A ATOM 2000 HA ARG 118 6.837 1.893 0.090 1.00 63.13 A ATOM 2001 CB ARG 118 8.115 2.184 -1.603 1.00 15.15 A ATOM 2002 HB1 ARG 118 7.973 1.312 -2.223 1.00 40.10 A ATOM 2003 HB2 ARG 118 8.907 1.989 -0.896 1.00 5.43 A ATOM 2004 CG ARG 118 8.546 3.338 -2.493 1.00 73.22 A ATOM 2005 HG1 ARG 118 9.157 4.016 -1.917 1.00 13.22 A ATOM 2006 HG2 ARG 118 7.666 3.856 -2.848 1.00 22.21 A ATOM 2007 CD ARG 118 9.344 2.848 -3.691 1.00 41.33 A ATOM 2008 HD1 ARG 118 9.249 3.571 -4.489 1.00 61.20 A ATOM 2009 HD2 ARG 118 8.940 1.901 -4.014 1.00 12.44 A ATOM 2010 NE ARG 118 10.759 2.676 -3.373 1.00 10.22 A ATOM 2011 HE ARG 118 11.007 2.619 -2.428 1.00 65.11 A ATOM 2012 CZ ARG 118 11.715 2.595 -4.292 1.00 14.41 A ATOM 2013 NH1 ARG 118 11.409 2.671 -5.580 1.00 14.13 A ATOM 2014 HH11 ARG 118 10.456 2.790 -5.861 1.00 63.12 A ATOM 2015 HH12 ARG 118 12.130 2.611 -6.271 1.00 2.13 A ATOM 2016 NH2 ARG 118 12.980 2.439 -3.923 1.00 73.03 A ATOM 2017 HH21 ARG 118 13.214 2.382 -2.954 1.00 63.24 A ATOM 2018 HH22 ARG 118 13.698 2.378 -4.617 1.00 0.14 A ATOM 2019 C ARG 118 6.717 3.941 -0.498 1.00 24.42 A ATOM 2020 O ARG 118 7.290 4.407 0.487 1.00 72.53 A ATOM 2021 N GLU 119 5.983 4.678 -1.326 1.00 24.34 A ATOM 2022 HN GLU 119 5.552 4.248 -2.094 1.00 54.44 A ATOM 2023 CA GLU 119 5.806 6.111 -1.118 1.00 41.25 A ATOM 2024 HA GLU 119 6.772 6.534 -0.891 1.00 43.41 A ATOM 2025 CB GLU 119 5.261 6.768 -2.388 1.00 31.11 A ATOM 2026 HB1 GLU 119 4.856 7.736 -2.132 1.00 64.05 A ATOM 2027 HB2 GLU 119 4.469 6.151 -2.787 1.00 12.43 A ATOM 2028 CG GLU 119 6.308 6.962 -3.472 1.00 24.25 A ATOM 2029 HG1 GLU 119 6.360 6.062 -4.068 1.00 64.12 A ATOM 2030 HG2 GLU 119 7.265 7.136 -3.004 1.00 20.14 A ATOM 2031 CD GLU 119 5.995 8.131 -4.385 1.00 24.12 A ATOM 2032 OE1 GLU 119 6.319 9.278 -4.010 1.00 33.41 A ATOM 2033 OE2 GLU 119 5.427 7.901 -5.472 1.00 24.54 A ATOM 2034 C GLU 119 4.864 6.378 0.051 1.00 13.34 A ATOM 2035 O GLU 119 5.203 7.111 0.981 1.00 55.54 A ATOM 2036 N PHE 120 3.679 5.779 -0.002 1.00 14.31 A ATOM 2037 HN PHE 120 3.467 5.207 -0.769 1.00 14.52 A ATOM 2038 CA PHE 120 2.686 5.954 1.052 1.00 73.13 A ATOM 2039 HA PHE 120 2.402 6.995 1.069 1.00 31.23 A ATOM 2040 CB PHE 120 1.447 5.104 0.760 1.00 10.42 A ATOM 2041 HB1 PHE 120 0.746 5.213 1.574 1.00 23.44 A ATOM 2042 HB2 PHE 120 1.741 4.069 0.677 1.00 33.24 A ATOM 2043 CG PHE 120 0.743 5.487 -0.510 1.00 63.35 A ATOM 2044 CD1 PHE 120 0.287 4.514 -1.385 1.00 64.22 A ATOM 2045 HD1 PHE 120 0.442 3.471 -1.146 1.00 30.05 A ATOM 2046 CD2 PHE 120 0.538 6.819 -0.830 1.00 44.24 A ATOM 2047 HD2 PHE 120 0.890 7.587 -0.156 1.00 51.54 A ATOM 2048 CE1 PHE 120 -0.361 4.862 -2.556 1.00 42.23 A ATOM 2049 HE1 PHE 120 -0.711 4.095 -3.228 1.00 65.54 A ATOM 2050 CE2 PHE 120 -0.109 7.175 -1.999 1.00 35.54 A ATOM 2051 HE2 PHE 120 -0.263 8.216 -2.237 1.00 24.41 A ATOM 2052 CZ PHE 120 -0.559 6.194 -2.864 1.00 25.03 A ATOM 2053 HZ PHE 120 -1.065 6.468 -3.777 1.00 13.32 A ATOM 2054 C PHE 120 3.265 5.579 2.413 1.00 70.54 A ATOM 2055 O PHE 120 3.194 6.355 3.364 1.00 5.35 A ATOM 2056 N MET 121 3.837 4.383 2.495 1.00 71.22 A ATOM 2057 HN MET 121 3.863 3.808 1.702 1.00 35.13 A ATOM 2058 CA MET 121 4.429 3.903 3.739 1.00 1.05 A ATOM 2059 HA MET 121 3.634 3.781 4.459 1.00 33.42 A ATOM 2060 CB MET 121 5.111 2.552 3.518 1.00 62.35 A ATOM 2061 HB1 MET 121 5.805 2.375 4.325 1.00 25.24 A ATOM 2062 HB2 MET 121 5.656 2.587 2.586 1.00 62.40 A ATOM 2063 CG MET 121 4.141 1.383 3.460 1.00 53.33 A ATOM 2064 HG1 MET 121 3.589 1.438 2.533 1.00 41.42 A ATOM 2065 HG2 MET 121 3.454 1.462 4.290 1.00 61.15 A ATOM 2066 SD MET 121 4.971 -0.215 3.546 1.00 4.34 A ATOM 2067 CE MET 121 6.103 -0.082 2.164 1.00 22.34 A ATOM 2068 HE1 MET 121 6.151 -1.030 1.647 1.00 42.01 A ATOM 2069 HE2 MET 121 5.755 0.681 1.486 1.00 72.14 A ATOM 2070 HE3 MET 121 7.086 0.178 2.527 1.00 3.43 A ATOM 2071 C MET 121 5.436 4.910 4.285 1.00 10.53 A ATOM 2072 O MET 121 5.604 5.038 5.498 1.00 70.22 A ATOM 2073 N GLN 122 6.102 5.623 3.383 1.00 65.24 A ATOM 2074 HN GLN 122 5.924 5.476 2.431 1.00 42.50 A ATOM 2075 CA GLN 122 7.093 6.619 3.775 1.00 23.24 A ATOM 2076 HA GLN 122 7.724 6.178 4.532 1.00 21.51 A ATOM 2077 CB GLN 122 7.957 7.010 2.575 1.00 31.21 A ATOM 2078 HB1 GLN 122 7.321 7.438 1.814 1.00 61.35 A ATOM 2079 HB2 GLN 122 8.430 6.122 2.182 1.00 50.40 A ATOM 2080 CG GLN 122 9.042 8.021 2.910 1.00 0.15 A ATOM 2081 HG1 GLN 122 9.711 7.582 3.636 1.00 5.21 A ATOM 2082 HG2 GLN 122 8.579 8.899 3.334 1.00 43.31 A ATOM 2083 CD GLN 122 9.848 8.437 1.696 1.00 71.14 A ATOM 2084 OE1 GLN 122 9.535 9.429 1.039 1.00 53.22 A ATOM 2085 NE2 GLN 122 10.893 7.676 1.389 1.00 3.20 A ATOM 2086 HE21 GLN 122 11.082 6.899 1.958 1.00 41.31 A ATOM 2087 HE22 GLN 122 11.431 7.921 0.609 1.00 1.25 A ATOM 2088 C GLN 122 6.420 7.856 4.357 1.00 20.13 A ATOM 2089 O GLN 122 6.803 8.341 5.423 1.00 33.45 A ATOM 2090 N LYS 123 5.415 8.364 3.652 1.00 1.12 A ATOM 2091 HN LYS 123 5.156 7.933 2.811 1.00 21.02 A ATOM 2092 CA LYS 123 4.687 9.546 4.100 1.00 13.50 A ATOM 2093 HA LYS 123 5.373 10.380 4.097 1.00 55.03 A ATOM 2094 CB LYS 123 3.530 9.848 3.145 1.00 12.21 A ATOM 2095 HB1 LYS 123 2.760 10.378 3.688 1.00 43.33 A ATOM 2096 HB2 LYS 123 3.124 8.915 2.783 1.00 45.04 A ATOM 2097 CG LYS 123 3.934 10.691 1.947 1.00 2.13 A ATOM 2098 HG1 LYS 123 4.915 10.380 1.616 1.00 70.15 A ATOM 2099 HG2 LYS 123 3.964 11.729 2.242 1.00 72.40 A ATOM 2100 CD LYS 123 2.952 10.534 0.798 1.00 2.34 A ATOM 2101 HD1 LYS 123 2.046 11.073 1.035 1.00 72.21 A ATOM 2102 HD2 LYS 123 2.726 9.486 0.670 1.00 51.31 A ATOM 2103 CE LYS 123 3.525 11.075 -0.502 1.00 60.03 A ATOM 2104 HE1 LYS 123 4.170 11.912 -0.276 1.00 14.44 A ATOM 2105 HE2 LYS 123 2.711 11.409 -1.129 1.00 61.40 A ATOM 2106 NZ LYS 123 4.310 10.043 -1.236 1.00 75.12 A ATOM 2107 HZ1 LYS 123 4.944 10.498 -1.923 1.00 13.14 A ATOM 2108 HZ2 LYS 123 3.669 9.402 -1.745 1.00 74.42 A ATOM 2109 HZ3 LYS 123 4.881 9.488 -0.567 1.00 51.14 A ATOM 2110 C LYS 123 4.154 9.354 5.516 1.00 33.21 A ATOM 2111 O LYS 123 4.250 10.250 6.353 1.00 21.20 A ATOM 2112 N ALA 124 3.593 8.178 5.777 1.00 32.45 A ATOM 2113 HN ALA 124 3.546 7.502 5.069 1.00 74.32 A ATOM 2114 CA ALA 124 3.048 7.866 7.093 1.00 21.52 A ATOM 2115 HA ALA 124 2.245 8.560 7.294 1.00 34.54 A ATOM 2116 CB ALA 124 2.471 6.458 7.106 1.00 32.21 A ATOM 2117 HB1 ALA 124 2.054 6.250 8.081 1.00 73.32 A ATOM 2118 HB2 ALA 124 1.696 6.380 6.357 1.00 30.12 A ATOM 2119 HB3 ALA 124 3.253 5.746 6.889 1.00 45.22 A ATOM 2120 C ALA 124 4.111 8.014 8.175 1.00 3.34 A ATOM 2121 O ALA 124 3.794 8.197 9.351 1.00 74.22 A ATOM 2122 N GLY 125 5.376 7.933 7.773 1.00 12.33 A ATOM 2123 HN GLY 125 5.570 7.787 6.824 1.00 74.33 A ATOM 2124 CA GLY 125 6.466 8.059 8.722 1.00 4.34 A ATOM 2125 HA1 GLY 125 7.400 8.082 8.178 1.00 11.14 A ATOM 2126 HA2 GLY 125 6.462 7.198 9.375 1.00 3.21 A ATOM 2127 C GLY 125 6.360 9.314 9.564 1.00 0.34 A ATOM 2128 O GLY 125 6.785 9.333 10.719 1.00 1.24 A ATOM 2129 N SER 126 5.793 10.367 8.985 1.00 55.23 A ATOM 2130 HN SER 126 5.473 10.290 8.061 1.00 24.21 A ATOM 2131 CA SER 126 5.637 11.636 9.688 1.00 53.23 A ATOM 2132 HA SER 126 6.576 11.867 10.167 1.00 44.21 A ATOM 2133 CB SER 126 5.294 12.752 8.700 1.00 71.35 A ATOM 2134 HB1 SER 126 4.231 12.745 8.508 1.00 14.21 A ATOM 2135 HB2 SER 126 5.827 12.587 7.775 1.00 11.35 A ATOM 2136 OG SER 126 5.657 14.020 9.216 1.00 63.01 A ATOM 2137 HG SER 126 6.102 14.529 8.535 1.00 22.40 A ATOM 2138 C SER 126 4.551 11.535 10.755 1.00 25.34 A ATOM 2139 O SER 126 4.599 12.227 11.773 1.00 21.11 A ATOM 2140 N LEU 127 3.574 10.668 10.515 1.00 73.11 A ATOM 2141 HN LEU 127 3.590 10.146 9.688 1.00 71.21 A ATOM 2142 CA LEU 127 2.475 10.476 11.456 1.00 10.11 A ATOM 2143 HA LEU 127 2.226 11.438 11.877 1.00 62.02 A ATOM 2144 CB LEU 127 1.249 9.916 10.731 1.00 5.11 A ATOM 2145 HB1 LEU 127 0.387 10.089 11.359 1.00 2.13 A ATOM 2146 HB2 LEU 127 1.395 8.854 10.607 1.00 14.02 A ATOM 2147 CG LEU 127 0.955 10.512 9.354 1.00 15.01 A ATOM 2148 HG LEU 127 1.826 10.397 8.725 1.00 63.23 A ATOM 2149 CD1 LEU 127 -0.202 9.779 8.692 1.00 42.02 A ATOM 2150 HD11 LEU 127 -0.618 10.396 7.910 1.00 34.12 A ATOM 2151 HD12 LEU 127 -0.963 9.569 9.428 1.00 20.22 A ATOM 2152 HD13 LEU 127 0.156 8.852 8.268 1.00 75.20 A ATOM 2153 CD2 LEU 127 0.650 11.998 9.470 1.00 14.34 A ATOM 2154 HD21 LEU 127 -0.364 12.184 9.148 1.00 73.43 A ATOM 2155 HD22 LEU 127 1.333 12.556 8.846 1.00 22.15 A ATOM 2156 HD23 LEU 127 0.763 12.310 10.498 1.00 63.20 A ATOM 2157 C LEU 127 2.884 9.537 12.585 1.00 32.31 A ATOM 2158 O LEU 127 2.323 9.586 13.680 1.00 21.53 A ATOM 2159 N GLU 128 3.866 8.682 12.312 1.00 34.03 A ATOM 2160 HN GLU 128 4.273 8.691 11.422 1.00 21.51 A ATOM 2161 CA GLU 128 4.350 7.733 13.308 1.00 30.53 A ATOM 2162 HA GLU 128 3.495 7.215 13.716 1.00 22.23 A ATOM 2163 CB GLU 128 5.286 6.712 12.658 1.00 12.32 A ATOM 2164 HB1 GLU 128 5.770 6.139 13.436 1.00 50.31 A ATOM 2165 HB2 GLU 128 6.038 7.240 12.091 1.00 61.14 A ATOM 2166 CG GLU 128 4.577 5.743 11.726 1.00 51.53 A ATOM 2167 HG1 GLU 128 4.147 6.303 10.907 1.00 63.30 A ATOM 2168 HG2 GLU 128 3.790 5.247 12.273 1.00 11.03 A ATOM 2169 CD GLU 128 5.510 4.691 11.158 1.00 13.15 A ATOM 2170 OE1 GLU 128 6.028 4.899 10.041 1.00 21.23 A ATOM 2171 OE2 GLU 128 5.721 3.660 11.831 1.00 40.33 A ATOM 2172 C GLU 128 5.075 8.454 14.441 1.00 34.11 A ATOM 2173 O GLU 128 5.267 7.898 15.523 1.00 1.32 A ATOM 2174 N HIS 129 5.475 9.695 14.184 1.00 40.11 A ATOM 2175 HN HIS 129 5.292 10.083 13.303 1.00 4.00 A ATOM 2176 CA HIS 129 6.179 10.493 15.181 1.00 13.53 A ATOM 2177 HA HIS 129 6.436 11.439 14.728 1.00 33.22 A ATOM 2178 CB HIS 129 5.277 10.750 16.389 1.00 31.42 A ATOM 2179 HB1 HIS 129 5.868 11.171 17.189 1.00 4.41 A ATOM 2180 HB2 HIS 129 4.852 9.813 16.718 1.00 72.32 A ATOM 2181 CG HIS 129 4.148 11.692 16.105 1.00 72.45 A ATOM 2182 ND1 HIS 129 3.795 12.081 14.829 1.00 33.33 A ATOM 2183 HD1 HIS 129 4.232 11.791 14.002 1.00 70.13 A ATOM 2184 CD2 HIS 129 3.289 12.322 16.939 1.00 3.45 A ATOM 2185 HD2 HIS 129 3.273 12.250 18.018 1.00 33.40 A ATOM 2186 CE1 HIS 129 2.769 12.910 14.892 1.00 21.13 A ATOM 2187 HE1 HIS 129 2.280 13.375 14.050 1.00 52.50 A ATOM 2188 NE2 HIS 129 2.443 13.073 16.162 1.00 53.53 A ATOM 2189 HE2 HIS 129 1.776 13.709 16.497 1.00 37.95 A ATOM 2190 C HIS 129 7.461 9.799 15.628 1.00 43.14 A ATOM 2191 O HIS 129 7.758 9.726 16.820 1.00 55.53 A ATOM 2192 N HIS 130 8.219 9.287 14.662 1.00 53.31 A ATOM 2193 HN HIS 130 7.930 9.377 13.730 1.00 34.01 A ATOM 2194 CA HIS 130 9.470 8.598 14.956 1.00 53.23 A ATOM 2195 HA HIS 130 9.758 8.848 15.965 1.00 35.14 A ATOM 2196 CB HIS 130 9.278 7.085 14.854 1.00 32.34 A ATOM 2197 HB1 HIS 130 9.019 6.827 13.837 1.00 15.42 A ATOM 2198 HB2 HIS 130 8.475 6.785 15.511 1.00 73.43 A ATOM 2199 CG HIS 130 10.496 6.300 15.231 1.00 24.15 A ATOM 2200 ND1 HIS 130 10.813 5.082 14.665 1.00 43.43 A ATOM 2201 HD1 HIS 130 10.291 4.617 13.979 1.00 50.32 A ATOM 2202 CD2 HIS 130 11.479 6.564 16.123 1.00 5.33 A ATOM 2203 HD2 HIS 130 11.556 7.441 16.753 1.00 73.21 A ATOM 2204 CE1 HIS 130 11.938 4.633 15.193 1.00 74.32 A ATOM 2205 HE1 HIS 130 12.427 3.704 14.942 1.00 71.43 A ATOM 2206 NE2 HIS 130 12.363 5.514 16.079 1.00 34.44 A ATOM 2207 HE2 HIS 130 13.224 5.476 16.547 1.00 37.95 A ATOM 2208 C HIS 130 10.574 9.047 14.004 1.00 25.42 A ATOM 2209 O HIS 130 10.353 9.188 12.801 1.00 15.51 A ATOM 2210 N HIS 131 11.765 9.271 14.551 1.00 0.13 A ATOM 2211 HN HIS 131 11.880 9.142 15.516 1.00 53.44 A ATOM 2212 CA HIS 131 12.905 9.706 13.751 1.00 74.12 A ATOM 2213 HA HIS 131 12.545 9.934 12.759 1.00 64.22 A ATOM 2214 CB HIS 131 13.530 10.963 14.355 1.00 74.12 A ATOM 2215 HB1 HIS 131 14.277 11.348 13.676 1.00 4.11 A ATOM 2216 HB2 HIS 131 13.999 10.709 15.293 1.00 42.35 A ATOM 2217 CG HIS 131 12.540 12.056 14.618 1.00 43.23 A ATOM 2218 ND1 HIS 131 11.327 12.145 13.969 1.00 51.22 A ATOM 2219 HD1 HIS 131 10.995 11.524 13.288 1.00 21.21 A ATOM 2220 CD2 HIS 131 12.589 13.110 15.466 1.00 45.45 A ATOM 2221 HD2 HIS 131 13.400 13.355 16.137 1.00 2.02 A ATOM 2222 CE1 HIS 131 10.673 13.207 14.405 1.00 63.22 A ATOM 2223 HE1 HIS 131 9.697 13.528 14.076 1.00 15.02 A ATOM 2224 NE2 HIS 131 11.418 13.809 15.316 1.00 54.13 A ATOM 2225 HE2 HIS 131 11.213 14.671 15.734 1.00 37.95 A ATOM 2226 C HIS 131 13.952 8.601 13.652 1.00 35.52 A ATOM 2227 O HIS 131 14.339 8.005 14.659 1.00 11.50 A ATOM 2228 N HIS 132 14.405 8.329 12.433 1.00 64.14 A ATOM 2229 HN HIS 132 14.058 8.835 11.670 1.00 44.42 A ATOM 2230 CA HIS 132 15.408 7.293 12.203 1.00 55.33 A ATOM 2231 HA HIS 132 16.212 7.449 12.905 1.00 43.41 A ATOM 2232 CB HIS 132 14.804 5.909 12.437 1.00 3.11 A ATOM 2233 HB1 HIS 132 14.232 5.620 11.567 1.00 44.51 A ATOM 2234 HB2 HIS 132 14.149 5.949 13.295 1.00 24.51 A ATOM 2235 CG HIS 132 15.828 4.845 12.690 1.00 14.22 A ATOM 2236 ND1 HIS 132 17.034 5.093 13.309 1.00 62.34 A ATOM 2237 HD1 HIS 132 17.340 5.963 13.637 1.00 5.55 A ATOM 2238 CD2 HIS 132 15.818 3.521 12.405 1.00 1.03 A ATOM 2239 HD2 HIS 132 15.023 2.975 11.917 1.00 51.44 A ATOM 2240 CE1 HIS 132 17.723 3.970 13.393 1.00 24.21 A ATOM 2241 HE1 HIS 132 18.705 3.861 13.830 1.00 71.33 A ATOM 2242 NE2 HIS 132 17.007 3.000 12.852 1.00 64.31 A ATOM 2243 HE2 HIS 132 17.320 2.084 12.700 1.00 37.95 A ATOM 2244 C HIS 132 15.967 7.385 10.786 1.00 2.42 A ATOM 2245 O HIS 132 15.232 7.641 9.832 1.00 33.24 A ATOM 2246 N HIS 133 17.273 7.173 10.655 1.00 2.43 A ATOM 2247 HN HIS 133 17.806 6.973 11.454 1.00 44.34 A ATOM 2248 CA HIS 133 17.931 7.232 9.356 1.00 25.10 A ATOM 2249 HA HIS 133 17.389 7.934 8.741 1.00 4.43 A ATOM 2250 CB HIS 133 19.373 7.716 9.512 1.00 2.40 A ATOM 2251 HB1 HIS 133 19.367 8.745 9.843 1.00 52.13 A ATOM 2252 HB2 HIS 133 19.872 7.654 8.556 1.00 24.43 A ATOM 2253 CG HIS 133 20.169 6.920 10.498 1.00 23.33 A ATOM 2254 ND1 HIS 133 21.293 7.410 11.130 1.00 23.31 A ATOM 2255 HD1 HIS 133 21.678 8.301 11.002 1.00 3.31 A ATOM 2256 CD2 HIS 133 19.997 5.660 10.965 1.00 44.43 A ATOM 2257 HD2 HIS 133 19.209 4.976 10.684 1.00 25.23 A ATOM 2258 CE1 HIS 133 21.779 6.486 11.939 1.00 23.35 A ATOM 2259 HE1 HIS 133 22.655 6.588 12.562 1.00 2.04 A ATOM 2260 NE2 HIS 133 21.011 5.415 11.858 1.00 32.51 A ATOM 2261 HE2 HIS 133 21.197 4.553 12.285 1.00 37.95 A ATOM 2262 C HIS 133 17.912 5.867 8.675 1.00 31.43 A ATOM 2263 O HIS 133 18.944 5.375 8.218 1.00 22.42 A ATOM 2264 N HIS 134 16.731 5.259 8.611 1.00 23.11 A ATOM 2265 HN HIS 134 15.945 5.702 8.994 1.00 22.53 A ATOM 2266 HA HIS 134 17.221 3.918 7.120 1.00 2.43 A ATOM 2267 CB HIS 134 16.996 2.846 8.957 1.00 21.45 A ATOM 2268 HB1 HIS 134 16.268 2.780 9.754 1.00 3.25 A ATOM 2269 HB2 HIS 134 17.960 3.091 9.378 1.00 25.13 A ATOM 2270 CG HIS 134 17.103 1.495 8.320 1.00 43.24 A ATOM 2271 ND1 HIS 134 17.364 1.316 6.977 1.00 0.15 A ATOM 2272 HD1 HIS 134 17.501 2.030 6.321 1.00 53.11 A ATOM 2273 CD2 HIS 134 16.985 0.255 8.847 1.00 1.32 A ATOM 2274 HD2 HIS 134 16.780 0.014 9.881 1.00 2.20 A ATOM 2275 CE1 HIS 134 17.400 0.024 6.707 1.00 72.42 A ATOM 2276 HE1 HIS 134 17.583 -0.415 5.737 1.00 5.43 A ATOM 2277 NE2 HIS 134 17.173 -0.643 7.825 1.00 44.44 A ATOM 2278 HE2 HIS 134 17.046 -1.613 7.888 1.00 37.95 A ATOM 2279 CA HIS 134 16.578 3.950 7.987 1.00 33.13 A ATOM 2280 C HIS 134 15.137 3.729 7.537 1.00 71.31 A ATOM 2281 O HIS 134 14.285 4.574 7.808 1.00 61.40 A ATOM 2282 OXT HIS 134 14.871 2.710 6.859 1.00 37.95 A ATOM 2283 X ANI 900 24.371 -21.068 -5.834 1.00 0.00 ATOM 2284 Y ANI 900 23.007 -20.842 -5.540 1.00 0.00 ATOM 2285 Z ANI 900 23.857 -21.409 -4.562 1.00 0.00 ATOM 2286 OO ANI 900 23.616 -21.635 -5.506 1.00 0.00 ATOM 2287 X ANI 901 1.435 -55.538 -23.160 1.00 0.00 ATOM 2288 Y ANI 901 2.591 -56.102 -22.572 1.00 0.00 ATOM 2289 Z ANI 901 2.431 -54.697 -22.611 1.00 0.00 ATOM 2290 OO ANI 901 2.420 -55.429 -23.292 1.00 0.00 ATOM 2291 OH2 TIP3 1 -14.293 -10.909 -16.746 0.00 0.00 WAT1 ATOM 2292 H1 TIP3 1 -14.342 -11.864 -16.783 0.00 0.00 WAT1 ATOM 2293 H2 TIP3 1 -15.119 -10.641 -16.344 0.00 0.00 WAT1 ATOM 2294 OH2 TIP3 2 -17.011 -7.041 -15.639 0.00 0.00 WAT1 ATOM 2295 H1 TIP3 2 -16.811 -6.617 -16.474 0.00 0.00 WAT1 ATOM 2296 H2 TIP3 2 -16.355 -6.698 -15.032 0.00 0.00 WAT1 ATOM 2297 OH2 TIP3 3 -22.163 -16.617 -3.728 0.00 0.00 WAT1 ATOM 2298 H1 TIP3 3 -22.201 -17.263 -3.023 0.00 0.00 WAT1 ATOM 2299 H2 TIP3 3 -22.486 -17.082 -4.499 0.00 0.00 WAT1 ATOM 2300 OH2 TIP3 4 -18.457 -13.678 -5.426 0.00 0.00 WAT1 ATOM 2301 H1 TIP3 4 -18.898 -14.398 -4.976 0.00 0.00 WAT1 ATOM 2302 H2 TIP3 4 -18.470 -12.957 -4.796 0.00 0.00 WAT1 ATOM 2303 OH2 TIP3 5 -21.346 -8.573 -5.214 0.00 0.00 WAT1 ATOM 2304 H1 TIP3 5 -20.726 -9.250 -5.487 0.00 0.00 WAT1 ATOM 2305 H2 TIP3 5 -21.554 -8.791 -4.306 0.00 0.00 WAT1 ATOM 2306 OH2 TIP3 6 -23.774 -14.184 -3.322 0.00 0.00 WAT1 ATOM 2307 H1 TIP3 6 -23.470 -14.870 -3.916 0.00 0.00 WAT1 ATOM 2308 H2 TIP3 6 -23.052 -14.066 -2.704 0.00 0.00 WAT1 ATOM 2309 OH2 TIP3 7 -20.633 -19.790 -2.994 0.00 0.00 WAT1 ATOM 2310 H1 TIP3 7 -20.490 -20.736 -2.974 0.00 0.00 WAT1 ATOM 2311 H2 TIP3 7 -20.739 -19.583 -3.923 0.00 0.00 WAT1 ATOM 2312 OH2 TIP3 8 -14.719 -21.105 -0.225 0.00 0.00 WAT1 ATOM 2313 H1 TIP3 8 -15.408 -20.447 -0.321 0.00 0.00 WAT1 ATOM 2314 H2 TIP3 8 -14.704 -21.302 0.712 0.00 0.00 WAT1 ATOM 2315 OH2 TIP3 9 -21.299 -13.271 -8.104 0.00 0.00 WAT1 ATOM 2316 H1 TIP3 9 -21.595 -13.593 -8.956 0.00 0.00 WAT1 ATOM 2317 H2 TIP3 9 -21.623 -12.370 -8.062 0.00 0.00 WAT1 ATOM 2318 OH2 TIP3 10 -18.534 -12.155 -7.944 0.00 0.00 WAT1 ATOM 2319 H1 TIP3 10 -18.791 -12.846 -8.556 0.00 0.00 WAT1 ATOM 2320 H2 TIP3 10 -18.463 -12.599 -7.099 0.00 0.00 WAT1 ATOM 2321 OH2 TIP3 11 -19.072 -18.244 0.325 0.00 0.00 WAT1 ATOM 2322 H1 TIP3 11 -18.992 -17.480 0.897 0.00 0.00 WAT1 ATOM 2323 H2 TIP3 11 -19.673 -17.965 -0.366 0.00 0.00 WAT1 ATOM 2324 OH2 TIP3 12 -20.648 -11.516 -2.493 0.00 0.00 WAT1 ATOM 2325 H1 TIP3 12 -20.889 -10.854 -1.845 0.00 0.00 WAT1 ATOM 2326 H2 TIP3 12 -20.846 -12.350 -2.068 0.00 0.00 WAT1 ATOM 2327 OH2 TIP3 13 -26.077 -12.620 1.490 0.00 0.00 WAT1 ATOM 2328 H1 TIP3 13 -26.389 -11.838 1.946 0.00 0.00 WAT1 ATOM 2329 H2 TIP3 13 -26.727 -12.773 0.804 0.00 0.00 WAT1 ATOM 2330 OH2 TIP3 14 -22.372 -10.519 -7.623 0.00 0.00 WAT1 ATOM 2331 H1 TIP3 14 -21.898 -10.224 -6.845 0.00 0.00 WAT1 ATOM 2332 H2 TIP3 14 -22.935 -9.780 -7.856 0.00 0.00 WAT1 ATOM 2333 OH2 TIP3 15 -27.838 -10.548 2.254 0.00 0.00 WAT1 ATOM 2334 H1 TIP3 15 -27.830 -10.684 1.306 0.00 0.00 WAT1 ATOM 2335 H2 TIP3 15 -28.754 -10.666 2.506 0.00 0.00 WAT1 ATOM 2336 OH2 TIP3 16 -15.210 -11.140 -12.869 0.00 0.00 WAT1 ATOM 2337 H1 TIP3 16 -15.137 -10.201 -12.698 0.00 0.00 WAT1 ATOM 2338 H2 TIP3 16 -14.305 -11.445 -12.925 0.00 0.00 WAT1 ATOM 2339 OH2 TIP3 17 -22.900 -7.563 -9.209 0.00 0.00 WAT1 ATOM 2340 H1 TIP3 17 -22.975 -7.684 -10.154 0.00 0.00 WAT1 ATOM 2341 H2 TIP3 17 -22.867 -6.613 -9.089 0.00 0.00 WAT1 ATOM 2342 OH2 TIP3 18 -19.798 -8.409 -12.206 0.00 0.00 WAT1 ATOM 2343 H1 TIP3 18 -19.423 -9.152 -12.677 0.00 0.00 WAT1 ATOM 2344 H2 TIP3 18 -19.794 -8.679 -11.287 0.00 0.00 WAT1 ATOM 2345 OH2 TIP3 19 -20.129 -8.483 -9.456 0.00 0.00 WAT1 ATOM 2346 H1 TIP3 19 -21.064 -8.383 -9.277 0.00 0.00 WAT1 ATOM 2347 H2 TIP3 19 -19.849 -9.192 -8.878 0.00 0.00 WAT1 ATOM 2348 OH2 TIP3 20 -17.141 -19.416 2.590 0.00 0.00 WAT1 ATOM 2349 H1 TIP3 20 -17.548 -18.934 1.870 0.00 0.00 WAT1 ATOM 2350 H2 TIP3 20 -17.100 -20.321 2.283 0.00 0.00 WAT1 ATOM 2351 OH2 TIP3 21 -19.384 -21.084 0.811 0.00 0.00 WAT1 ATOM 2352 H1 TIP3 21 -19.898 -21.210 1.607 0.00 0.00 WAT1 ATOM 2353 H2 TIP3 21 -19.539 -20.172 0.566 0.00 0.00 WAT1 ATOM 2354 OH2 TIP3 22 -22.647 -18.784 2.895 0.00 0.00 WAT1 ATOM 2355 H1 TIP3 22 -23.210 -19.488 3.215 0.00 0.00 WAT1 ATOM 2356 H2 TIP3 22 -21.821 -18.904 3.362 0.00 0.00 WAT1 ATOM 2357 OH2 TIP3 23 -21.481 -17.875 -1.108 0.00 0.00 WAT1 ATOM 2358 H1 TIP3 23 -21.157 -18.506 -1.751 0.00 0.00 WAT1 ATOM 2359 H2 TIP3 23 -21.921 -18.410 -0.447 0.00 0.00 WAT1 ATOM 2360 OH2 TIP3 24 -22.693 -14.375 0.899 0.00 0.00 WAT1 ATOM 2361 H1 TIP3 24 -23.039 -14.756 1.705 0.00 0.00 WAT1 ATOM 2362 H2 TIP3 24 -22.893 -13.441 0.970 0.00 0.00 WAT1 ATOM 2363 OH2 TIP3 25 -25.063 -17.286 2.958 0.00 0.00 WAT1 ATOM 2364 H1 TIP3 25 -25.359 -17.452 2.064 0.00 0.00 WAT1 ATOM 2365 H2 TIP3 25 -24.132 -17.506 2.949 0.00 0.00 WAT1 ATOM 2366 OH2 TIP3 26 -16.416 -10.882 -10.319 0.00 0.00 WAT1 ATOM 2367 H1 TIP3 26 -16.789 -11.708 -10.009 0.00 0.00 WAT1 ATOM 2368 H2 TIP3 26 -16.139 -11.065 -11.216 0.00 0.00 WAT1 ATOM 2369 OH2 TIP3 27 -19.256 -16.074 -3.297 0.00 0.00 WAT1 ATOM 2370 H1 TIP3 27 -20.184 -16.306 -3.324 0.00 0.00 WAT1 ATOM 2371 H2 TIP3 27 -18.805 -16.851 -3.627 0.00 0.00 WAT1 ATOM 2372 OH2 TIP3 28 -24.771 -9.934 -1.273 0.00 0.00 WAT1 ATOM 2373 H1 TIP3 28 -24.408 -9.079 -1.506 0.00 0.00 WAT1 ATOM 2374 H2 TIP3 28 -24.239 -10.226 -0.532 0.00 0.00 WAT1 ATOM 2375 OH2 TIP3 29 -21.227 -13.835 -1.572 0.00 0.00 WAT1 ATOM 2376 H1 TIP3 29 -21.653 -14.062 -0.746 0.00 0.00 WAT1 ATOM 2377 H2 TIP3 29 -20.646 -14.573 -1.755 0.00 0.00 WAT1 ATOM 2378 OH2 TIP3 30 -14.520 -8.426 -12.297 0.00 0.00 WAT1 ATOM 2379 H1 TIP3 30 -13.777 -7.840 -12.438 0.00 0.00 WAT1 ATOM 2380 H2 TIP3 30 -15.215 -7.858 -11.964 0.00 0.00 WAT1 ATOM 2381 OH2 TIP3 31 -18.385 -18.285 -4.758 0.00 0.00 WAT1 ATOM 2382 H1 TIP3 31 -19.182 -18.700 -5.087 0.00 0.00 WAT1 ATOM 2383 H2 TIP3 31 -17.940 -18.976 -4.268 0.00 0.00 WAT1 ATOM 2384 OH2 TIP3 32 -26.987 -9.439 4.712 0.00 0.00 WAT1 ATOM 2385 H1 TIP3 32 -26.219 -9.898 5.053 0.00 0.00 WAT1 ATOM 2386 H2 TIP3 32 -27.008 -9.665 3.782 0.00 0.00 WAT1 ATOM 2387 OH2 TIP3 33 -25.022 -14.578 3.478 0.00 0.00 WAT1 ATOM 2388 H1 TIP3 33 -25.350 -14.307 2.621 0.00 0.00 WAT1 ATOM 2389 H2 TIP3 33 -24.870 -15.519 3.391 0.00 0.00 WAT1 ATOM 2390 OH2 TIP3 34 -24.564 -17.175 -0.345 0.00 0.00 WAT1 ATOM 2391 H1 TIP3 34 -23.813 -17.331 -0.918 0.00 0.00 WAT1 ATOM 2392 H2 TIP3 34 -24.903 -16.323 -0.621 0.00 0.00 WAT1 ATOM 2393 OH2 TIP3 35 -20.148 -19.360 4.683 0.00 0.00 WAT1 ATOM 2394 H1 TIP3 35 -19.956 -20.291 4.572 0.00 0.00 WAT1 ATOM 2395 H2 TIP3 35 -19.291 -18.934 4.673 0.00 0.00 WAT1 ATOM 2396 OH2 TIP3 36 -18.832 -16.571 2.761 0.00 0.00 WAT1 ATOM 2397 H1 TIP3 36 -19.113 -15.862 2.183 0.00 0.00 WAT1 ATOM 2398 H2 TIP3 36 -17.889 -16.643 2.610 0.00 0.00 WAT1 ATOM 2399 OH2 TIP3 37 -14.733 -18.318 2.877 0.00 0.00 WAT1 ATOM 2400 H1 TIP3 37 -15.596 -18.697 2.712 0.00 0.00 WAT1 ATOM 2401 H2 TIP3 37 -14.129 -19.056 2.803 0.00 0.00 WAT1 ATOM 2402 OH2 TIP3 38 -16.764 -20.027 -3.548 0.00 0.00 WAT1 ATOM 2403 H1 TIP3 38 -15.831 -19.815 -3.582 0.00 0.00 WAT1 ATOM 2404 H2 TIP3 38 -16.999 -19.925 -2.625 0.00 0.00 WAT1 ATOM 2405 OH2 TIP3 39 -16.735 -19.290 -0.772 0.00 0.00 WAT1 ATOM 2406 H1 TIP3 39 -17.578 -19.021 -0.406 0.00 0.00 WAT1 ATOM 2407 H2 TIP3 39 -16.292 -18.468 -0.983 0.00 0.00 WAT1 ATOM 2408 OH2 TIP3 40 -27.505 -10.385 -0.534 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 40 -27.930 -9.576 -0.816 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 40 -26.600 -10.300 -0.835 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 41 -22.925 -7.641 -2.280 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 41 -23.382 -7.112 -2.934 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 41 -22.762 -7.038 -1.555 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 42 -20.598 -8.763 -1.335 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 42 -21.502 -8.598 -1.601 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 42 -20.169 -7.910 -1.401 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 43 -26.010 -9.326 -4.072 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 43 -25.797 -10.214 -4.359 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 43 -25.945 -9.360 -3.117 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 44 -21.096 -15.872 11.708 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 44 -21.007 -14.928 11.576 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 44 -21.735 -16.146 11.050 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 45 -22.163 -16.617 15.127 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 45 -22.201 -17.263 15.832 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 45 -22.486 -17.082 14.356 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 46 -23.774 -14.184 15.534 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 46 -23.470 -14.870 14.939 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 46 -23.052 -14.066 16.151 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 47 -21.299 -13.271 10.752 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 47 -21.595 -13.593 9.900 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 47 -21.623 -12.370 10.793 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 48 -16.848 -13.590 19.389 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 48 -16.708 -14.181 18.649 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 48 -16.680 -12.717 19.032 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 49 -22.375 -16.628 9.160 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 49 -23.087 -16.093 8.809 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 49 -21.684 -16.572 8.500 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 50 -22.321 -18.169 6.199 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 50 -21.620 -18.148 6.850 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 50 -22.019 -18.797 5.543 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 51 -15.006 -17.250 17.454 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 51 -15.658 -16.555 17.543 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 51 -14.541 -17.040 16.645 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 52 -18.969 -16.418 10.112 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 52 -19.701 -16.190 10.685 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 52 -18.522 -17.132 10.567 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 53 -20.648 -11.516 16.363 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 53 -20.889 -10.854 17.011 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 53 -20.846 -12.350 16.787 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 54 -20.098 -17.256 7.797 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 54 -19.519 -17.106 8.544 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 54 -19.684 -16.785 7.074 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 55 -14.293 -10.909 20.965 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 55 -14.342 -11.864 20.928 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 55 -15.119 -10.641 21.367 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 56 -21.749 -18.959 10.262 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 56 -22.158 -18.143 9.970 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 56 -21.029 -19.099 9.647 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 57 -17.011 -7.041 22.072 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 57 -16.811 -6.617 21.237 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 57 -16.355 -6.698 22.679 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 58 -24.213 -14.559 8.517 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 58 -24.957 -15.066 8.194 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 58 -24.347 -14.510 9.463 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 59 -17.063 -15.426 17.303 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 59 -16.421 -14.969 16.761 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 59 -17.893 -15.313 16.841 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 60 -19.597 -19.878 8.377 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 60 -18.705 -20.015 8.697 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 60 -19.540 -19.087 7.840 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 61 -20.443 -11.913 19.704 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 61 -21.344 -11.730 19.436 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 61 -20.409 -11.654 20.625 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 62 -14.712 -19.668 8.072 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 62 -15.266 -20.064 7.399 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 62 -14.611 -18.758 7.794 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 63 -14.748 -13.868 20.909 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 63 -15.600 -13.630 20.541 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 63 -14.158 -13.885 20.155 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 64 -19.256 -16.074 15.558 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 64 -20.184 -16.306 15.531 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 64 -18.805 -16.851 15.228 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 65 -26.713 -11.745 11.691 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 65 -26.186 -10.973 11.490 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 65 -27.593 -11.521 11.389 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 66 -25.286 -14.083 11.267 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 66 -25.527 -13.158 11.309 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 66 -26.026 -14.542 11.663 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 67 -26.602 -9.061 10.812 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 67 -27.552 -8.956 10.864 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 67 -26.251 -8.241 11.157 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 68 -21.227 -13.835 17.284 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 68 -21.653 -14.062 18.110 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 68 -20.646 -14.573 17.101 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 69 -18.568 -9.283 19.752 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 69 -19.170 -9.838 19.258 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 69 -18.287 -8.616 19.127 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 70 -24.933 -11.794 4.804 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 70 -24.694 -12.542 4.256 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 70 -25.202 -12.182 5.636 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 71 -25.996 -12.224 7.260 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 71 -25.849 -12.744 8.050 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 71 -25.999 -11.317 7.566 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 72 -25.920 -9.483 7.991 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 72 -25.759 -8.683 7.490 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 72 -26.117 -9.176 8.877 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 73 -18.385 -18.285 14.098 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 73 -19.182 -18.700 13.768 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 73 -17.940 -18.976 14.588 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 74 -27.336 -14.204 5.034 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 74 -27.272 -14.998 5.564 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 74 -26.683 -14.323 4.345 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 75 -19.287 -14.662 19.718 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 75 -18.542 -14.074 19.598 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 75 -20.044 -14.080 19.780 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 76 -26.187 -16.232 7.339 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 76 -26.646 -16.716 8.025 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 76 -25.932 -16.899 6.703 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 77 -25.116 -17.989 5.602 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 77 -25.296 -18.143 4.675 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 77 -24.165 -17.881 5.646 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 78 -16.568 -13.022 23.508 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 78 -17.434 -13.127 23.902 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 78 -16.192 -12.263 23.956 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 79 -15.267 -14.765 9.022 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 79 -14.417 -14.344 9.150 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 79 -15.262 -15.505 9.630 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 80 -14.873 -16.712 10.846 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 80 -15.599 -17.191 11.244 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 80 -14.292 -16.506 11.578 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 81 -15.114 -13.927 15.794 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 81 -14.280 -14.305 15.513 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 81 -15.002 -12.984 15.675 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 82 -16.627 -11.049 18.101 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 82 -17.275 -10.724 18.727 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 82 -17.145 -11.489 17.427 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 83 -14.605 -16.811 7.237 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 83 -15.126 -16.454 6.518 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 83 -14.638 -16.136 7.915 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 84 -16.256 -19.571 5.788 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 84 -16.159 -18.904 5.108 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 84 -16.396 -20.387 5.306 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 85 -17.086 -18.191 11.409 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 85 -17.236 -19.136 11.389 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 85 -17.440 -17.910 12.253 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 86 -20.849 -7.701 20.526 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 86 -20.172 -8.333 20.285 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 86 -20.527 -7.299 21.334 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 87 -22.925 -7.641 16.575 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 87 -23.382 -7.112 15.921 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 87 -22.762 -7.038 17.300 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 88 -20.598 -8.763 17.520 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 88 -21.502 -8.598 17.255 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 88 -20.169 -7.910 17.454 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 89 -26.010 -9.326 14.784 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 89 -25.797 -10.214 14.496 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 89 -25.945 -9.360 15.738 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 90 -16.646 -9.758 21.678 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 90 -17.428 -9.944 21.159 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 90 -16.718 -8.829 21.895 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 91 -15.210 -11.140 24.843 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 91 -15.137 -10.201 25.014 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 91 -14.305 -11.445 24.786 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 92 -14.520 -8.426 25.415 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 92 -13.777 -7.840 25.274 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 92 -15.215 -7.858 25.747 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 93 -18.291 -10.114 24.032 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 93 -18.008 -10.908 24.486 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 93 -17.551 -9.881 23.471 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 94 -22.163 2.240 -22.584 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 94 -22.201 1.594 -21.880 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 94 -22.486 1.774 -23.355 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 95 -18.457 5.178 -24.282 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 95 -18.898 4.458 -23.832 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 95 -18.470 5.899 -23.652 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 96 -15.111 -3.727 -21.317 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 96 -15.062 -3.116 -20.581 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 96 -14.685 -3.265 -22.040 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 97 -20.633 -0.933 -21.851 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 97 -20.490 -1.881 -21.830 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 97 -20.739 -0.727 -22.779 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 98 -17.992 -3.411 -24.197 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 98 -18.207 -4.177 -23.665 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 98 -17.336 -2.938 -23.683 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 99 -17.945 7.018 -21.934 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 99 -18.887 7.076 -21.773 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 99 -17.669 7.925 -22.072 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 100 -17.645 -4.695 -20.517 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 100 -18.381 -4.085 -20.555 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 100 -16.961 -4.280 -21.043 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 101 -20.648 7.341 -21.349 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 101 -20.889 8.002 -20.701 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 101 -20.846 6.507 -20.924 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 102 -23.314 7.521 -17.870 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 102 -23.227 8.348 -17.395 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 102 -24.178 7.191 -17.621 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 103 -19.384 -2.227 -18.045 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 103 -19.898 -2.353 -17.248 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 103 -19.539 -1.316 -18.290 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 104 -22.647 0.073 -15.961 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 104 -23.210 -0.631 -15.641 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 104 -21.821 -0.047 -15.494 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 105 -20.745 -0.656 -24.636 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 105 -20.940 -0.051 -25.351 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 105 -20.563 -1.490 -25.070 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 106 -21.481 0.982 -19.964 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 106 -21.157 0.351 -20.607 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 106 -21.921 0.447 -19.303 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 107 -20.298 -3.857 -21.916 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 107 -20.975 -3.725 -21.252 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 107 -20.784 -4.011 -22.726 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 108 -22.693 4.482 -17.957 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 108 -23.039 4.101 -17.151 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 108 -22.893 5.415 -17.886 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 109 -19.256 2.783 -22.153 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 109 -20.184 2.550 -22.180 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 109 -18.805 2.006 -22.483 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 110 -21.227 5.021 -20.428 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 110 -21.653 4.795 -19.602 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 110 -20.646 4.284 -20.611 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 111 -21.711 -3.453 -19.662 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 111 -21.013 -3.379 -19.012 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 111 -22.092 -4.316 -19.508 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 112 -23.191 -1.087 -18.545 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 112 -23.072 -0.512 -17.788 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 112 -22.536 -1.775 -18.430 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 113 -16.987 -3.179 -17.710 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 113 -17.903 -2.916 -17.798 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 113 -16.651 -3.182 -18.607 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 114 -18.385 0.572 -23.614 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 114 -19.182 0.156 -23.944 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 114 -17.940 -0.119 -23.123 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 115 -17.298 9.828 -21.992 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 115 -17.454 10.506 -22.649 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 115 -16.366 9.899 -21.789 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 116 -25.022 4.279 -15.377 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 116 -25.350 4.550 -16.235 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 116 -24.870 3.337 -15.465 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 117 -21.878 2.989 -14.738 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 117 -20.925 3.073 -14.766 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 117 -22.038 2.277 -14.119 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 118 -20.148 -0.503 -14.173 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 118 -19.956 -1.434 -14.284 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 118 -19.291 -0.079 -14.183 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 119 -21.360 -2.852 -16.370 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 119 -22.308 -2.820 -16.238 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 119 -21.048 -3.477 -15.716 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 120 -19.726 -4.219 -14.365 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 120 -19.823 -5.171 -14.371 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 120 -20.048 -3.950 -13.504 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 121 -14.582 10.478 -21.764 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 121 -14.604 10.662 -20.825 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 121 -13.892 11.046 -22.104 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 122 -15.019 10.044 -18.841 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 122 -15.506 9.309 -19.212 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 122 -14.470 9.652 -18.163 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 123 -15.267 4.091 -28.689 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 123 -14.417 4.513 -28.561 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 123 -15.262 3.352 -28.081 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 124 -14.873 2.144 -26.865 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 124 -15.599 1.666 -26.467 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 124 -14.292 2.351 -26.133 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 125 -17.086 0.665 -26.302 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 125 -17.236 -0.280 -26.322 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 125 -17.440 0.947 -25.458 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 126 -16.764 -1.171 -22.404 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 126 -15.831 -0.958 -22.438 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 126 -16.999 -1.068 -21.481 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 127 -14.452 -6.454 -14.274 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 127 -14.102 -7.107 -14.880 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 127 -14.305 -5.617 -14.714 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 128 -14.932 -4.345 -15.925 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 128 -15.849 -4.073 -15.961 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 128 -14.809 -4.880 -16.709 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 129 -23.194 9.870 -16.430 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 129 -23.009 9.537 -15.552 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 129 -22.347 10.180 -16.752 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 130 -20.849 11.155 -17.186 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 130 -20.172 10.524 -17.426 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 130 -20.527 11.558 -16.378 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 131 -15.931 -6.255 -18.106 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 131 -16.744 -5.929 -18.494 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 131 -15.698 -7.014 -18.639 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 132 -20.598 10.094 -20.191 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 132 -21.502 10.258 -20.457 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 132 -20.169 10.947 -20.258 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 133 -17.993 11.664 -19.896 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 133 -18.175 12.580 -20.107 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 133 -17.817 11.254 -20.743 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 134 -21.346 10.284 -5.214 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 134 -20.726 9.607 -5.487 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 134 -21.554 10.066 -4.306 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 135 -23.774 4.672 -3.322 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 135 -23.470 3.987 -3.916 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 135 -23.052 4.790 -2.704 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 136 -27.478 -2.833 -5.723 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 136 -27.435 -1.972 -6.140 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 136 -27.936 -3.384 -6.355 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 137 -19.756 -2.701 -7.321 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 137 -19.110 -3.030 -6.696 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 137 -19.246 -2.183 -7.944 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 138 -25.702 1.115 -5.744 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 138 -25.086 0.589 -5.236 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 138 -26.288 0.475 -6.148 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 139 -28.668 -3.914 -1.648 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 139 -28.887 -3.384 -2.414 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 139 -29.336 -3.687 -1.000 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 140 -26.099 3.761 -1.360 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 140 -26.839 4.360 -1.257 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 140 -25.385 4.316 -1.676 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 141 -29.074 -2.022 -3.695 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 141 -28.461 -1.389 -3.322 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 141 -28.562 -2.494 -4.353 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 142 -24.642 -6.608 -4.196 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 142 -24.759 -7.557 -4.249 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 142 -25.497 -6.276 -3.922 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 143 -22.375 2.228 -9.695 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 143 -23.087 2.764 -10.046 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 143 -21.684 2.284 -10.355 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 144 -22.321 0.687 -12.656 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 144 -21.620 0.709 -12.005 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 144 -22.019 0.058 -13.312 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 145 -25.957 6.496 -4.179 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 145 -26.052 5.918 -4.936 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 145 -25.228 6.126 -3.683 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 146 -26.957 1.837 -3.227 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 146 -26.392 1.959 -3.990 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 146 -26.638 2.474 -2.588 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 147 -20.648 7.341 -2.493 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 147 -20.889 8.002 -1.845 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 147 -20.846 6.507 -2.068 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 148 -26.077 6.236 1.490 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 148 -26.389 7.018 1.946 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 148 -26.727 6.083 0.804 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 149 -20.098 1.601 -11.058 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 149 -19.519 1.751 -10.311 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 149 -19.684 2.071 -11.781 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 150 -16.400 -6.649 -11.245 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 150 -17.299 -6.510 -10.950 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 150 -16.148 -5.819 -11.648 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 151 -23.314 7.521 0.986 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 151 -23.227 8.348 1.461 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 151 -24.178 7.191 1.235 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 152 -22.900 11.293 -9.209 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 152 -22.975 11.173 -10.154 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 152 -22.867 12.244 -9.089 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 153 -27.373 -5.705 -3.417 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 153 -28.234 -5.792 -3.825 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 153 -27.395 -4.850 -2.990 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 154 -22.710 -5.983 -0.043 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 154 -22.290 -6.399 0.710 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 154 -23.643 -6.162 0.074 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 155 -18.621 2.634 -13.428 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 155 -18.579 2.410 -14.358 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 155 -17.772 3.032 -13.238 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 156 -27.282 -0.740 -2.322 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 156 -27.924 -0.780 -1.613 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 156 -27.245 0.187 -2.560 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 157 -27.285 -0.518 -7.410 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 157 -28.178 -0.860 -7.470 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 157 -26.834 -0.895 -8.166 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 158 -21.749 -0.103 -8.593 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 158 -22.158 0.713 -8.886 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 158 -21.029 -0.242 -9.209 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 159 -24.703 -3.092 -6.324 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 159 -25.614 -3.034 -6.035 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 159 -24.198 -3.151 -5.513 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 160 -17.011 11.816 3.216 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 160 -16.811 12.240 2.381 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 160 -16.355 12.159 3.824 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 161 -24.213 4.298 -10.338 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 161 -24.957 3.790 -10.662 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 161 -24.347 4.346 -9.393 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 162 -20.315 -2.889 -12.139 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 162 -21.253 -2.776 -12.290 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 162 -20.018 -2.031 -11.834 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 163 -19.597 -1.022 -10.479 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 163 -18.705 -1.159 -10.159 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 163 -19.540 -0.231 -11.015 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 164 -25.063 1.571 2.958 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 164 -25.359 1.405 2.064 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 164 -24.132 1.351 2.949 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 165 -26.713 7.111 -7.165 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 165 -26.186 7.883 -7.365 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 165 -27.593 7.335 -7.466 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 166 -25.286 4.774 -7.588 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 166 -25.527 5.699 -7.546 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 166 -26.026 4.314 -7.192 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 167 -24.771 8.922 -1.273 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 167 -24.408 9.777 -1.506 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 167 -24.239 8.630 -0.532 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 168 -26.602 9.796 -8.043 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 168 -27.552 9.900 -7.992 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 168 -26.251 10.616 -7.698 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 169 -24.933 7.062 -14.052 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 169 -24.694 6.315 -14.599 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 169 -25.202 6.675 -13.220 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 170 -25.996 6.633 -11.595 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 170 -25.849 6.113 -10.805 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 170 -25.999 7.540 -11.290 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 171 -20.927 -3.800 -9.709 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 171 -20.707 -3.328 -10.512 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 171 -20.369 -3.405 -9.038 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 172 -23.727 -2.073 -8.874 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 172 -22.915 -1.568 -8.829 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 172 -23.972 -2.217 -7.960 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 173 -22.843 -4.992 -7.936 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 173 -23.190 -4.373 -7.291 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 173 -22.185 -4.490 -8.418 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 174 -25.920 9.373 -10.864 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 174 -25.759 10.174 -11.366 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 174 -26.117 9.681 -9.979 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 175 -22.895 8.925 -13.913 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 175 -23.539 8.294 -13.591 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 175 -22.133 8.395 -14.145 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 176 -25.022 4.279 3.478 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 176 -25.350 4.550 2.621 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 176 -24.870 3.337 3.391 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 177 -21.984 5.700 -14.087 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 177 -22.252 5.880 -13.186 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 177 -22.190 4.774 -14.218 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 178 -26.898 0.518 0.840 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 178 -27.516 1.193 1.121 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 178 -26.554 0.839 0.006 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 179 -26.558 -2.127 1.923 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 179 -26.408 -2.857 1.320 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 179 -26.556 -1.350 1.364 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 180 -26.146 -3.757 -0.585 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 180 -25.610 -3.307 -1.237 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 180 -26.998 -3.865 -1.007 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 181 -24.564 1.682 -0.345 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 181 -23.813 1.526 -0.918 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 181 -24.903 2.534 -0.621 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 182 -28.080 -0.929 3.833 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 182 -28.847 -1.462 3.624 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 182 -27.401 -1.240 3.235 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 183 -25.340 -6.301 -0.153 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 183 -25.438 -5.354 -0.260 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 183 -26.083 -6.673 -0.629 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 184 -25.118 -7.008 2.518 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 184 -24.406 -7.647 2.504 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 184 -25.219 -6.740 1.604 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 185 -24.765 -5.325 4.572 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 185 -24.896 -5.800 3.750 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 185 -25.364 -4.581 4.516 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 186 -25.218 11.559 -12.252 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 186 -24.285 11.716 -12.108 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 186 -25.482 12.234 -12.878 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 187 -17.008 -3.307 -13.950 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 187 -16.398 -3.679 -13.314 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 187 -17.845 -3.728 -13.755 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 188 -23.194 9.870 2.426 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 188 -23.009 9.537 3.304 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 188 -22.347 10.180 2.104 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 189 -20.849 11.155 1.670 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 189 -20.172 10.524 1.429 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 189 -20.527 11.558 2.478 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 190 -22.925 11.216 -2.280 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 190 -23.382 11.745 -2.934 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 190 -22.762 11.819 -1.555 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 191 -20.598 10.094 -1.335 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 191 -21.502 10.258 -1.601 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 191 -20.169 10.947 -1.401 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 192 -25.595 -6.244 -7.292 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 192 -24.721 -5.856 -7.322 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 192 -25.731 -6.460 -6.369 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 193 -18.685 -6.188 -9.950 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 193 -19.388 -5.575 -10.160 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 193 -19.130 -7.026 -9.819 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 194 -24.451 -4.165 -10.402 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 194 -24.273 -4.810 -9.720 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 194 -24.505 -3.331 -9.935 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 195 -22.573 10.785 -12.008 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 195 -21.707 11.151 -12.185 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 195 -22.820 10.345 -12.820 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 196 -28.244 -6.306 3.948 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 196 -27.345 -6.580 3.763 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 196 -28.630 -7.050 4.412 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 197 -22.163 2.240 15.127 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 197 -22.201 1.594 15.832 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 197 -22.486 1.774 14.356 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 198 -21.346 10.284 13.641 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 198 -20.726 9.607 13.368 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 198 -21.554 10.066 14.550 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 199 -23.774 4.672 15.534 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 199 -23.470 3.987 14.939 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 199 -23.052 4.790 16.151 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 200 -25.702 1.115 13.111 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 200 -25.086 0.589 13.620 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 200 -26.288 0.475 12.707 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 201 -26.099 3.761 17.495 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 201 -26.839 4.360 17.598 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 201 -25.385 4.316 17.180 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 202 -17.945 7.018 15.777 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 202 -18.887 7.076 15.938 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 202 -17.669 7.925 15.640 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 203 -24.642 -6.608 14.660 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 203 -24.759 -7.557 14.606 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 203 -25.497 -6.276 14.933 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 204 -16.848 5.267 19.389 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 204 -16.708 4.675 18.649 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 204 -16.680 6.139 19.032 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 205 -22.375 2.228 9.160 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 205 -23.087 2.764 8.809 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 205 -21.684 2.284 8.500 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 206 -19.072 0.613 19.180 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 206 -18.992 1.376 19.752 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 206 -19.673 0.891 18.489 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 207 -27.324 3.069 11.995 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 207 -27.654 2.699 11.176 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 207 -26.736 2.398 12.341 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 208 -25.957 6.496 14.676 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 208 -26.052 5.918 13.919 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 208 -25.228 6.126 15.172 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 209 -26.957 1.837 15.628 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 209 -26.392 1.959 14.865 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 209 -26.638 2.474 16.267 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 210 -20.648 7.341 16.363 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 210 -20.889 8.002 17.011 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 210 -20.846 6.507 16.787 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 211 -28.334 2.139 9.584 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 211 -28.626 2.907 9.093 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 211 -29.008 1.478 9.421 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 212 -14.293 7.947 20.965 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 212 -14.342 6.992 20.928 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 212 -15.119 8.216 21.367 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 213 -22.900 11.293 9.647 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 213 -22.975 11.173 8.701 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 213 -22.867 12.244 9.767 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 214 -19.798 10.447 6.650 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 214 -19.423 9.704 6.179 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 214 -19.794 10.178 7.568 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 215 -20.129 10.373 9.399 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 215 -21.064 10.474 9.578 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 215 -19.849 9.665 9.977 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 216 -17.141 -0.559 21.445 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 216 -17.548 -0.079 20.726 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 216 -17.100 -1.465 21.139 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 217 -27.373 -5.705 15.438 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 217 -28.234 -5.792 15.030 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 217 -27.395 -4.850 15.865 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 218 -22.710 -5.983 18.812 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 218 -22.290 -6.399 19.566 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 218 -23.643 -6.162 18.929 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 219 -19.384 -2.227 19.666 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 219 -19.898 -2.353 20.463 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 219 -19.539 -1.316 19.421 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 220 -21.749 -0.103 10.262 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 220 -22.158 0.713 9.970 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 220 -21.029 -0.242 9.647 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 221 -22.647 0.073 21.750 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 221 -23.210 -0.631 22.070 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 221 -21.821 -0.047 22.218 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 222 -26.166 -3.046 5.198 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 222 -26.597 -3.490 5.928 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 222 -26.884 -2.674 4.686 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 223 -21.481 0.982 17.747 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 223 -21.157 0.351 17.104 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 223 -21.921 0.447 18.409 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 224 -24.703 -3.092 12.531 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 224 -25.614 -3.034 12.820 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 224 -24.198 -3.151 13.342 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 225 -26.222 -1.462 9.014 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 225 -25.290 -1.333 9.192 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 225 -26.437 -0.792 8.365 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 226 -27.548 -0.268 6.581 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 226 -28.090 -0.647 5.890 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 226 -26.714 -0.074 6.152 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 227 -23.383 -0.304 14.418 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 227 -22.819 -0.850 13.871 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 227 -23.531 -0.825 15.207 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 228 -28.381 -4.168 10.836 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 228 -28.698 -5.069 10.801 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 228 -27.600 -4.165 10.284 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 229 -24.757 -1.916 16.832 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 229 -25.592 -1.462 16.942 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 229 -24.233 -1.639 17.584 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 230 -24.213 4.298 8.517 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 230 -24.957 3.790 8.194 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 230 -24.347 4.346 9.463 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 231 -17.063 3.431 17.303 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 231 -16.421 3.888 16.761 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 231 -17.893 3.543 16.841 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 232 -14.748 4.989 20.909 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 232 -15.600 5.226 20.541 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 232 -14.158 4.972 20.155 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 233 -19.256 2.783 15.558 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 233 -20.184 2.550 15.531 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 233 -18.805 2.006 15.228 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 234 -26.713 7.111 11.691 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 234 -26.186 7.883 11.490 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 234 -27.593 7.335 11.389 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 235 -24.771 8.922 17.582 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 235 -24.408 9.777 17.349 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 235 -24.239 8.630 18.323 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 236 -26.602 9.796 10.812 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 236 -27.552 9.900 10.864 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 236 -26.251 10.616 11.157 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 237 -21.227 5.021 17.284 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 237 -21.653 4.795 18.110 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 237 -20.646 4.284 17.101 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 238 -24.933 7.062 4.804 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 238 -24.694 6.315 4.256 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 238 -25.202 6.675 5.636 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 239 -25.996 6.633 7.260 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 239 -25.849 6.113 8.050 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 239 -25.999 7.540 7.566 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 240 -23.258 8.331 8.009 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 240 -24.075 8.828 8.062 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 240 -22.729 8.806 7.369 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 241 -23.727 -2.073 9.982 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 241 -22.915 -1.568 10.027 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 241 -23.972 -2.217 10.895 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 242 -23.191 -1.087 19.166 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 242 -23.072 -0.512 19.924 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 242 -22.536 -1.775 19.282 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 243 -25.920 9.373 7.991 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 243 -25.759 10.174 7.490 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 243 -26.117 9.681 8.877 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 244 -27.186 -3.929 7.607 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 244 -27.269 -3.039 7.953 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 244 -26.296 -4.194 7.838 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 245 -16.987 -3.179 20.002 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 245 -17.903 -2.916 19.913 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 245 -16.651 -3.182 19.104 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 246 -18.385 0.572 14.098 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 246 -19.182 0.156 13.768 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 246 -17.940 -0.119 14.588 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 247 -17.298 9.828 15.720 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 247 -17.454 10.506 15.062 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 247 -16.366 9.899 15.922 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 248 -22.895 8.925 4.942 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 248 -23.539 8.294 5.264 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 248 -22.133 8.395 4.710 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 249 -27.336 4.652 5.034 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 249 -27.272 3.859 5.564 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 249 -26.683 4.534 4.345 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 250 -26.187 2.625 7.339 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 250 -26.646 2.141 8.025 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 250 -25.932 1.957 6.703 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 251 -25.116 0.868 5.602 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 251 -25.296 0.714 4.675 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 251 -24.165 0.976 5.646 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 252 -26.146 -3.757 18.270 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 252 -25.610 -3.307 17.618 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 252 -26.998 -3.865 17.848 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 253 -24.564 1.682 18.511 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 253 -23.813 1.526 17.938 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 253 -24.903 2.534 18.235 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 254 -18.832 2.285 21.616 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 254 -19.113 2.994 21.038 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 254 -17.889 2.212 21.465 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 255 -25.340 -6.301 18.703 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 255 -25.438 -5.354 18.596 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 255 -26.083 -6.673 18.227 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 256 -21.360 -2.852 21.341 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 256 -22.308 -2.820 21.474 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 256 -21.048 -3.477 21.995 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 257 -19.726 -4.219 23.346 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 257 -19.823 -5.171 23.340 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 257 -20.048 -3.950 24.207 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 258 -15.019 10.044 18.870 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 258 -15.506 9.309 18.499 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 258 -14.470 9.652 19.549 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 259 -16.568 5.835 23.508 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 259 -17.434 5.729 23.902 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 259 -16.192 6.594 23.956 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 260 -16.627 7.807 18.101 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 260 -17.275 8.133 18.727 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 260 -17.145 7.367 17.427 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 261 -16.230 2.635 21.049 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 261 -15.647 1.901 21.239 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 261 -15.666 3.407 21.095 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 262 -14.733 0.538 21.732 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 262 -15.596 0.159 21.567 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 262 -14.129 -0.200 21.659 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 263 -17.844 10.568 11.520 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 263 -17.191 10.220 10.912 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 263 -17.333 11.056 12.166 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 264 -22.925 11.216 16.575 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 264 -23.382 11.745 15.921 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 264 -22.762 11.819 17.300 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 265 -20.598 10.094 17.520 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 265 -21.502 10.258 17.255 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 265 -20.169 10.947 17.454 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 266 -17.993 11.664 17.816 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 266 -18.175 12.580 17.604 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 266 -17.817 11.254 16.968 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 267 -26.010 9.530 14.784 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 267 -25.797 8.643 14.496 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 267 -25.945 9.496 15.738 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 268 -25.595 -6.244 11.563 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 268 -24.721 -5.856 11.534 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 268 -25.731 -6.460 12.486 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 269 -22.573 10.785 6.848 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 269 -21.707 11.151 6.670 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 269 -22.820 10.345 6.035 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 270 -19.822 -6.974 22.986 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 270 -19.746 -7.400 23.840 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 270 -18.929 -6.960 22.643 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 271 -16.400 -6.649 26.466 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 271 -17.299 -6.510 26.761 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 271 -16.148 -5.819 26.064 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 272 -15.210 7.716 24.843 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 272 -15.137 8.655 25.014 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 272 -14.305 7.412 24.786 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 273 -15.726 3.223 23.904 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 273 -15.999 2.797 23.090 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 273 -15.686 4.154 23.686 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 274 -14.605 2.046 26.093 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 274 -15.126 2.402 25.374 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 274 -14.638 2.720 26.771 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 275 -16.256 -0.715 24.645 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 275 -16.159 -0.047 23.965 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 275 -16.396 -1.530 24.163 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 276 -17.008 -3.307 23.761 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 276 -16.398 -3.679 24.398 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 276 -17.845 -3.728 23.957 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 277 -14.896 -4.421 25.304 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 277 -14.483 -5.143 24.828 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 277 -14.214 -3.751 25.362 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 278 -14.719 16.607 -19.081 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 278 -15.408 17.265 -19.176 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 278 -14.704 16.410 -18.145 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 279 -17.645 14.160 -20.517 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 279 -18.381 14.771 -20.555 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 279 -16.961 14.575 -21.043 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 280 -17.141 18.296 -16.267 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 280 -17.548 18.777 -16.986 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 280 -17.100 17.391 -16.573 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 281 -19.384 16.628 -18.045 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 281 -19.898 16.502 -17.248 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 281 -19.539 17.540 -18.290 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 282 -16.987 15.676 -17.710 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 282 -17.903 15.939 -17.798 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 282 -16.651 15.673 -18.607 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 283 -20.148 18.352 -14.173 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 283 -19.956 17.421 -14.284 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 283 -19.291 18.777 -14.183 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 284 -21.360 16.003 -16.370 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 284 -22.308 16.035 -16.238 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 284 -21.048 15.378 -15.716 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 285 -24.765 13.531 -14.284 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 285 -24.896 13.055 -15.105 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 285 -25.364 14.275 -14.340 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 286 -14.733 19.394 -15.979 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 286 -15.596 19.015 -16.145 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 286 -14.129 18.655 -16.053 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 287 -15.931 12.601 -18.106 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 287 -16.744 12.926 -18.494 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 287 -15.698 11.841 -18.639 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 288 -20.633 17.922 -2.994 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 288 -20.490 16.975 -2.974 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 288 -20.739 18.130 -3.923 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 289 -19.756 16.154 -7.321 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 289 -19.110 15.825 -6.696 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 289 -19.246 16.672 -7.944 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 290 -22.321 19.542 -12.656 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 290 -21.620 19.564 -12.005 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 290 -22.019 18.914 -13.312 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 291 -15.006 20.462 -1.401 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 291 -15.658 21.157 -1.312 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 291 -14.541 20.672 -2.211 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 292 -19.072 19.468 0.325 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 292 -18.992 20.231 0.897 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 292 -19.673 19.747 -0.366 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 293 -20.098 20.456 -11.058 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 293 -19.519 20.606 -10.311 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 293 -19.684 20.927 -11.781 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 294 -17.141 18.296 2.590 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 294 -17.548 18.777 1.870 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 294 -17.100 17.391 2.283 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 295 -22.710 12.872 -0.043 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 295 -22.290 12.457 0.710 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 295 -23.643 12.694 0.074 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 296 -19.384 16.628 0.811 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 296 -19.898 16.502 1.607 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 296 -19.539 17.540 0.566 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 297 -18.621 21.489 -13.428 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 297 -18.579 21.266 -14.358 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 297 -17.772 21.887 -13.238 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 298 -23.048 15.365 -12.758 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 298 -23.302 15.384 -11.835 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 298 -23.305 14.493 -13.059 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 299 -21.749 18.753 -8.593 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 299 -22.158 19.569 -8.886 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 299 -21.029 18.613 -9.209 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 300 -20.745 18.200 -5.779 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 300 -20.940 18.804 -6.494 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 300 -20.563 17.365 -6.214 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 301 -21.481 19.837 -1.108 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 301 -21.157 19.206 -1.751 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 301 -21.921 19.302 -0.447 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 302 -20.298 14.999 -3.060 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 302 -20.975 15.130 -2.396 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 302 -20.784 14.844 -3.870 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 303 -17.063 22.287 -1.552 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 303 -16.421 22.743 -2.095 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 303 -17.893 22.399 -2.014 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 304 -19.597 17.834 -10.479 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 304 -18.705 17.697 -10.159 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 304 -19.540 18.625 -11.015 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 305 -14.712 18.044 -10.784 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 305 -15.266 17.648 -11.456 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 305 -14.611 18.954 -11.061 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 306 -19.256 21.638 -3.297 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 306 -20.184 21.406 -3.324 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 306 -18.805 20.861 -3.627 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 307 -21.711 15.403 -0.806 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 307 -21.013 15.477 -0.156 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 307 -22.092 14.539 -0.651 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 308 -20.927 15.055 -9.709 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 308 -20.707 15.527 -10.512 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 308 -20.369 15.450 -9.038 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 309 -23.727 16.783 -8.874 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 309 -22.915 17.287 -8.829 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 309 -23.972 16.639 -7.960 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 310 -22.843 13.864 -7.936 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 310 -23.190 14.482 -7.291 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 310 -22.185 14.365 -8.418 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 311 -18.385 19.427 -4.758 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 311 -19.182 19.012 -5.087 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 311 -17.940 18.736 -4.268 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 312 -19.726 14.637 4.490 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 312 -19.823 13.685 4.484 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 312 -20.048 14.906 5.352 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 313 -14.873 21.000 -8.009 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 313 -15.599 20.521 -7.611 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 313 -14.292 21.206 -7.277 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 314 -14.605 20.901 -11.619 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 314 -15.126 21.258 -12.337 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 314 -14.638 21.576 -10.941 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 315 -16.256 18.141 -13.067 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 315 -16.159 18.808 -13.747 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 315 -16.396 17.325 -13.549 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 316 -17.086 19.521 -7.446 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 316 -17.236 18.576 -7.466 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 316 -17.440 19.802 -6.602 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 317 -14.733 19.394 2.877 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 317 -15.596 19.015 2.712 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 317 -14.129 18.655 2.803 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 318 -17.376 17.104 -8.985 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 318 -17.096 16.197 -8.860 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 318 -16.617 17.538 -9.373 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 319 -16.735 18.422 -0.772 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 319 -17.578 18.691 -0.406 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 319 -16.292 19.244 -0.983 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 320 -22.501 14.050 -4.927 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 320 -23.176 13.421 -4.672 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 320 -21.937 13.566 -5.530 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 321 -20.038 12.641 -5.643 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 321 -19.962 12.736 -6.592 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 321 -20.314 11.733 -5.514 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 322 -24.451 14.691 -10.402 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 322 -24.273 14.045 -9.720 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 322 -24.505 15.525 -9.935 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 323 -19.822 11.881 4.130 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 323 -19.746 11.455 4.984 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 323 -18.929 11.895 3.788 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 324 -24.642 12.247 14.660 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 324 -24.759 11.298 14.606 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 324 -25.497 12.579 14.933 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 325 -16.256 18.141 5.788 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 325 -16.159 18.808 5.108 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 325 -16.396 17.325 5.306 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 326 -17.008 15.549 4.905 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 326 -16.398 15.177 5.542 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 326 -17.845 15.127 5.101 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 327 -16.762 14.367 9.921 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 327 -16.580 13.918 10.745 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 327 -17.362 13.782 9.456 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 328 -14.896 14.434 6.448 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 328 -14.483 13.713 5.973 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 328 -14.214 15.104 6.506 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 329 -17.359 12.157 14.040 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 329 -16.755 12.705 13.539 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 329 -18.228 12.477 13.800 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 330 -15.632 13.296 12.374 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 330 -15.020 12.782 11.848 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 330 -15.249 14.174 12.397 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 331 -25.595 12.611 11.563 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 331 -24.721 12.999 11.534 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 331 -25.731 12.396 12.486 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 332 -20.038 12.641 13.212 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 332 -19.962 12.736 12.263 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 332 -20.314 11.733 13.341 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 333 -18.685 12.667 8.905 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 333 -19.388 13.281 8.695 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 333 -19.130 11.829 9.037 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 334 -2.490 -8.573 -24.070 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 334 -1.870 -9.250 -24.343 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 334 -2.698 -8.791 -23.162 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 335 2.008 -13.590 -18.323 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 335 2.148 -14.181 -19.062 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 335 2.176 -12.717 -18.679 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 336 -0.216 -18.244 -18.531 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 336 -0.136 -17.480 -17.959 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 336 -0.817 -17.965 -19.222 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 337 -1.792 -11.516 -21.349 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 337 -2.033 -10.854 -20.701 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 337 -1.990 -12.350 -20.924 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 338 -7.221 -12.620 -17.366 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 338 -7.533 -11.838 -16.910 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 338 -7.871 -12.773 -18.052 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 339 -8.982 -10.548 -16.602 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 339 -8.974 -10.684 -17.550 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 339 -9.898 -10.666 -16.350 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 340 4.563 -10.909 -16.746 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 340 4.514 -11.864 -16.783 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 340 3.737 -10.641 -16.344 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 341 -4.458 -11.335 -17.870 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 341 -4.371 -10.509 -17.395 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 341 -5.322 -11.665 -17.621 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 342 1.715 -19.416 -16.267 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 342 1.308 -18.934 -16.986 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 342 1.756 -20.321 -16.573 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 343 -11.136 -13.032 -18.270 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 343 -10.919 -13.393 -17.409 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 343 -11.991 -13.406 -18.479 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 344 -3.791 -18.784 -15.961 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 344 -4.354 -19.488 -15.641 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 344 -2.965 -18.904 -15.494 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 345 -10.557 -14.567 -16.031 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 345 -9.824 -14.313 -15.470 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 345 -11.337 -14.363 -15.516 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 346 1.793 -15.426 -20.409 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 346 2.435 -14.969 -20.951 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 346 0.963 -15.313 -20.870 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 347 -3.837 -14.375 -17.957 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 347 -4.183 -14.756 -17.151 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 347 -4.037 -13.441 -17.886 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 348 -1.587 -11.913 -18.008 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 348 -2.488 -11.730 -18.275 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 348 -1.553 -11.654 -17.086 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 349 4.108 -13.868 -16.803 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 349 3.256 -13.630 -17.170 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 349 4.698 -13.885 -17.556 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 350 -5.915 -9.934 -20.130 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 350 -5.552 -9.079 -20.362 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 350 -5.383 -10.226 -19.389 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 351 -2.371 -13.835 -20.428 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 351 -2.797 -14.062 -19.602 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 351 -1.790 -14.573 -20.611 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 352 0.288 -9.283 -17.959 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 352 -0.314 -9.838 -18.454 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 352 0.569 -8.616 -18.585 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 353 1.558 -9.029 -21.992 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 353 1.402 -8.351 -22.649 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 353 2.490 -8.957 -21.789 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 354 -12.728 -8.358 -15.764 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 354 -12.188 -8.575 -15.005 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 354 -13.209 -9.164 -15.954 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 355 -12.821 -14.548 -14.810 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 355 -12.677 -15.450 -15.096 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 355 -13.594 -14.262 -15.298 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 356 -6.166 -14.578 -15.377 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 356 -6.494 -14.307 -16.235 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 356 -6.014 -15.519 -15.465 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 357 -0.431 -14.662 -17.994 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 357 0.314 -14.074 -18.114 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 357 -1.188 -14.080 -17.931 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 358 -3.022 -15.868 -14.738 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 358 -2.069 -15.784 -14.766 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 358 -3.182 -16.579 -14.119 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 359 -1.292 -19.360 -14.173 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 359 -1.100 -20.291 -14.284 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 359 -0.435 -18.934 -14.183 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 360 0.024 -16.571 -16.095 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 360 -0.257 -15.862 -16.673 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 360 0.967 -16.643 -16.246 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 361 4.274 -8.379 -21.764 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 361 4.252 -8.194 -20.825 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 361 4.964 -7.810 -22.104 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 362 3.837 -8.812 -18.841 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 362 3.350 -9.547 -19.212 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 362 4.386 -9.205 -18.163 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 363 2.229 -11.049 -19.610 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 363 1.581 -10.724 -18.985 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 363 1.711 -11.489 -20.285 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 364 2.626 -16.221 -16.663 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 364 3.209 -16.954 -16.472 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 364 3.190 -15.449 -16.617 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 365 4.123 -18.318 -15.979 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 365 3.260 -18.697 -16.145 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 365 4.727 -19.056 -16.053 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 366 -11.603 -11.360 -15.648 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 366 -12.424 -11.184 -16.108 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 366 -11.855 -11.433 -14.727 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 367 -8.649 -10.385 -19.389 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 367 -9.074 -9.576 -19.672 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 367 -7.744 -10.300 -19.691 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 368 -4.338 -8.986 -16.430 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 368 -4.153 -9.320 -15.552 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 368 -3.491 -8.677 -16.752 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 369 -11.247 -7.129 -19.342 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 369 -11.967 -6.689 -19.793 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 369 -11.613 -7.380 -18.493 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 370 -8.780 -7.529 -20.312 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 370 -9.645 -7.457 -19.909 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 370 -8.835 -6.982 -21.096 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 371 0.863 -7.193 -19.896 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 371 0.681 -6.277 -20.107 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 371 1.039 -7.603 -20.743 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 372 -11.832 -8.506 -22.431 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 372 -11.851 -8.931 -21.575 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 372 -11.027 -8.824 -22.840 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 373 -7.154 -9.326 -22.928 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 373 -6.941 -10.214 -23.215 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 373 -7.089 -9.360 -21.973 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 374 2.210 -9.758 -16.033 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 374 1.428 -9.944 -16.553 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 374 2.138 -8.829 -15.816 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 375 -10.939 -17.002 -2.135 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 375 -10.897 -17.628 -1.411 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 375 -10.236 -16.379 -1.953 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 376 -12.695 -16.730 -6.082 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 376 -12.481 -17.500 -5.554 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 376 -11.957 -16.640 -6.684 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 377 -1.777 -19.790 -2.994 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 377 -1.634 -20.736 -2.974 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 377 -1.883 -19.583 -3.923 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 378 -8.622 -21.689 -5.723 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 378 -8.579 -20.829 -6.140 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 378 -9.080 -22.241 -6.355 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 379 -0.900 -21.558 -7.321 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 379 -0.254 -21.887 -6.696 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 379 -0.390 -21.040 -7.944 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 380 -12.714 -13.460 -9.791 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 380 -12.986 -13.231 -10.680 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 380 -12.669 -12.622 -9.331 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 381 -3.465 -18.169 -12.656 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 381 -2.764 -18.148 -12.005 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 381 -3.163 -18.797 -13.312 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 382 3.850 -17.250 -1.401 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 382 3.198 -16.555 -1.312 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 382 4.315 -17.040 -2.211 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 383 -0.113 -16.418 -8.744 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 383 -0.845 -16.190 -8.171 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 383 0.334 -17.132 -8.288 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 384 -0.216 -18.244 0.325 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 384 -0.136 -17.480 0.897 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 384 -0.817 -17.965 -0.366 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 385 -8.101 -17.018 -3.227 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 385 -7.536 -16.898 -3.990 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 385 -7.782 -16.382 -2.588 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 386 -1.242 -17.256 -11.058 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 386 -0.663 -17.106 -10.311 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 386 -0.828 -16.785 -11.781 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 387 -10.301 -16.422 0.719 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 387 -10.231 -15.771 1.417 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 387 -11.192 -16.319 0.384 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 388 -9.478 -16.718 -9.271 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 388 -9.770 -15.950 -9.762 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 388 -10.152 -17.378 -9.434 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 389 1.715 -19.416 2.590 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 389 1.308 -18.934 1.870 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 389 1.756 -20.321 2.283 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 390 -8.426 -19.596 -2.322 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 390 -9.068 -19.637 -1.613 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 390 -8.389 -18.669 -2.560 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 391 -8.429 -19.375 -7.410 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 391 -9.322 -19.716 -7.470 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 391 -7.978 -19.752 -8.166 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 392 -2.893 -18.959 -8.593 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 392 -3.302 -18.143 -8.886 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 392 -2.173 -19.099 -9.209 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 393 -3.791 -18.784 2.895 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 393 -4.354 -19.488 3.215 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 393 -2.965 -18.904 3.362 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 394 -1.889 -19.513 -5.779 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 394 -2.084 -18.908 -6.494 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 394 -1.707 -20.347 -6.214 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 395 -10.676 -19.276 -0.455 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 395 -10.714 -18.876 0.413 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 395 -11.167 -20.093 -0.365 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 396 -2.625 -17.875 -1.108 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 396 -2.301 -18.506 -1.751 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 396 -3.065 -18.410 -0.447 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 397 -5.847 -21.948 -6.324 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 397 -6.758 -21.891 -6.035 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 397 -5.342 -22.008 -5.513 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 398 -7.366 -20.319 -9.841 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 398 -6.434 -20.190 -9.663 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 398 -7.581 -19.649 -10.491 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 399 -4.527 -19.160 -4.438 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 399 -3.963 -19.707 -4.984 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 399 -4.675 -19.681 -3.648 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 400 -5.901 -20.772 -2.023 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 400 -6.736 -20.318 -1.913 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 400 -5.377 -20.495 -1.271 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 401 -0.741 -19.878 -10.479 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 401 0.151 -20.015 -10.159 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 401 -0.684 -19.087 -11.015 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 402 -10.232 -15.264 -4.569 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 402 -9.487 -15.266 -5.170 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 402 -10.154 -16.088 -4.087 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 403 4.144 -19.668 -10.784 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 403 3.590 -20.064 -11.456 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 403 4.245 -18.758 -11.061 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 404 -6.077 -11.794 -14.052 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 404 -5.838 -12.542 -14.599 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 404 -6.346 -12.182 -13.220 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 405 -10.687 -14.971 -11.085 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 405 -11.373 -14.619 -10.518 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 405 -10.164 -14.208 -11.331 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 406 -4.871 -20.928 -8.874 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 406 -4.059 -20.425 -8.829 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 406 -5.116 -21.074 -7.960 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 407 -4.335 -19.943 0.311 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 407 -4.216 -19.369 1.068 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 407 -3.680 -20.631 0.426 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 408 0.471 -18.285 -4.758 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 408 -0.326 -18.700 -5.087 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 408 0.916 -18.976 -4.268 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 409 -8.480 -14.204 -13.822 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 409 -8.416 -14.998 -13.291 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 409 -7.827 -14.323 -14.511 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 410 -7.331 -16.232 -11.517 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 410 -7.790 -16.716 -10.831 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 410 -7.076 -16.899 -12.152 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 411 -8.042 -18.338 0.840 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 411 -8.660 -17.664 1.121 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 411 -7.698 -18.018 0.006 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 412 -6.260 -17.989 -13.253 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 412 -6.440 -18.143 -14.181 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 412 -5.309 -17.881 -13.209 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 413 -3.022 -15.868 4.118 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 413 -2.069 -15.784 4.090 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 413 -3.182 -16.579 4.737 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 414 -7.702 -20.983 1.923 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 414 -7.552 -21.713 1.320 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 414 -7.700 -20.207 1.364 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 415 -5.708 -17.175 -0.345 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 415 -4.957 -17.331 -0.918 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 415 -6.047 -16.323 -0.621 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 416 -1.292 -19.360 4.683 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 416 -1.100 -20.291 4.572 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 416 -0.435 -18.934 4.673 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 417 0.024 -16.571 2.761 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 417 -0.257 -15.862 2.183 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 417 0.967 -16.643 2.610 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 418 -9.224 -19.786 3.833 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 418 -9.991 -20.318 3.624 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 418 -8.545 -20.096 3.235 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 419 -5.220 -20.836 3.410 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 419 -5.456 -21.056 4.311 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 419 -6.003 -21.043 2.901 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 420 -11.043 -21.864 3.538 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 420 -10.832 -22.572 2.928 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 420 -11.155 -22.303 4.383 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 421 -12.794 -12.662 -12.770 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 421 -11.880 -12.583 -12.496 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 421 -12.787 -13.349 -13.436 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 422 2.288 -13.022 4.653 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 422 1.422 -13.127 5.047 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 422 2.664 -12.263 5.099 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 423 4.251 -16.811 -11.619 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 423 3.730 -16.454 -12.337 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 423 4.218 -16.136 -10.941 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 424 2.600 -19.571 -13.067 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 424 2.697 -18.904 -13.747 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 424 2.460 -20.387 -13.549 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 425 1.770 -18.191 -7.446 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 425 1.620 -19.136 -7.466 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 425 1.416 -17.910 -6.602 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 426 -13.195 -16.113 -3.436 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 426 -13.011 -16.195 -4.371 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 426 -12.346 -16.236 -3.012 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 427 2.626 -16.221 2.193 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 427 3.209 -16.954 2.384 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 427 3.190 -15.449 2.239 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 428 4.123 -18.318 2.877 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 428 3.260 -18.697 2.712 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 428 4.727 -19.056 2.803 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 429 1.480 -20.608 -8.985 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 429 1.760 -21.515 -8.860 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 429 2.239 -20.174 -9.373 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 430 2.092 -20.027 -3.548 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 430 3.025 -19.815 -3.582 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 430 1.857 -19.925 -2.625 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 431 2.121 -19.290 -0.772 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 431 1.278 -19.021 -0.406 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 431 2.564 -18.468 -0.983 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 432 -13.597 -20.841 2.705 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 432 -12.678 -20.964 2.941 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 432 -14.047 -21.591 3.094 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 433 -14.072 -19.530 -3.335 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 433 -13.580 -19.752 -4.125 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 433 -13.710 -18.690 -3.054 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 434 -2.240 -15.872 11.708 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 434 -2.151 -14.928 11.576 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 434 -2.879 -16.146 11.050 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 435 -3.307 -16.617 15.127 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 435 -3.345 -17.263 15.832 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 435 -3.630 -17.082 14.356 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 436 0.399 -13.678 13.429 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 436 -0.042 -14.398 13.880 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 436 0.386 -12.957 14.059 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 437 -13.405 -18.892 10.648 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 437 -13.853 -18.046 10.630 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 437 -13.966 -19.472 10.133 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 438 -12.695 -16.730 12.774 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 438 -12.481 -17.500 13.301 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 438 -11.957 -16.640 12.171 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 439 -4.918 -14.184 15.534 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 439 -4.614 -14.870 14.939 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 439 -4.196 -14.066 16.151 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 440 -6.846 -17.742 13.111 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 440 -6.230 -18.268 13.620 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 440 -7.432 -18.382 12.707 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 441 -7.243 -15.095 17.495 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 441 -7.983 -14.497 17.598 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 441 -6.529 -14.541 17.180 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 442 -8.835 -13.131 18.282 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 442 -8.841 -12.252 17.904 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 442 -9.689 -13.214 18.707 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 443 0.911 -11.838 15.777 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 443 -0.031 -11.780 15.938 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 443 1.187 -10.932 15.640 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 444 0.322 -12.155 10.912 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 444 0.065 -12.846 10.299 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 444 0.393 -12.599 11.756 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 445 -3.519 -16.628 9.160 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 445 -4.231 -16.093 8.809 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 445 -2.828 -16.572 8.500 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 446 -3.465 -18.169 6.199 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 446 -2.764 -18.148 6.850 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 446 -3.163 -18.797 5.543 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 447 -0.113 -16.418 10.112 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 447 -0.845 -16.190 10.685 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 447 0.334 -17.132 10.567 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 448 -8.468 -15.788 11.995 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 448 -8.798 -16.158 11.176 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 448 -7.880 -16.457 12.341 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 449 -7.101 -12.360 14.676 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 449 -7.196 -12.938 13.919 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 449 -6.372 -12.731 15.172 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 450 -8.101 -17.018 15.628 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 450 -7.536 -16.898 14.865 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 450 -7.782 -16.382 16.267 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 451 -1.792 -11.516 16.363 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 451 -2.033 -10.854 17.011 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 451 -1.990 -12.350 16.787 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 452 -7.221 -12.620 20.346 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 452 -7.533 -11.838 20.801 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 452 -7.871 -12.773 19.660 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 453 -1.242 -17.256 7.797 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 453 -0.663 -17.106 8.544 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 453 -0.828 -16.785 7.074 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 454 -8.982 -10.548 21.110 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 454 -8.974 -10.684 20.162 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 454 -9.898 -10.666 21.361 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 455 -9.478 -16.718 9.584 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 455 -9.770 -15.950 9.093 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 455 -10.152 -17.378 9.421 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 456 -13.385 -14.355 18.399 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 456 -13.886 -14.383 17.584 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 456 -13.379 -15.261 18.709 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 457 -4.458 -11.335 19.841 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 457 -4.371 -10.509 20.316 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 457 -5.322 -11.665 20.090 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 458 -11.136 -13.032 19.442 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 458 -10.919 -13.393 20.302 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 458 -11.991 -13.406 19.232 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 459 0.235 -16.223 5.428 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 459 0.277 -16.446 4.497 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 459 1.084 -15.825 5.617 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 460 -12.793 -21.413 7.674 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 460 -12.319 -20.823 7.089 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 460 -13.511 -20.883 8.021 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 461 -8.692 -19.123 6.581 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 461 -9.234 -19.504 5.890 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 461 -7.858 -18.930 6.152 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 462 1.845 -7.041 22.072 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 462 2.045 -6.617 21.237 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 462 2.501 -6.698 22.679 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 463 -10.557 -14.567 21.680 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 463 -9.824 -14.313 22.241 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 463 -11.337 -14.363 22.195 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 464 -10.232 -15.264 14.287 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 464 -9.487 -15.266 13.685 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 464 -10.154 -16.088 14.768 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 465 -1.587 -11.913 19.704 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 465 -2.488 -11.730 19.436 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 465 -1.553 -11.654 20.625 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 466 2.440 -10.882 8.537 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 466 2.067 -11.708 8.846 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 466 2.717 -11.065 7.639 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 467 -5.915 -9.934 17.582 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 467 -5.552 -9.079 17.349 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 467 -5.383 -10.226 18.323 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 468 -2.371 -13.835 17.284 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 468 -2.797 -14.062 18.110 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 468 -1.790 -14.573 17.101 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 469 0.288 -9.283 19.752 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 469 -0.314 -9.838 19.258 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 469 0.569 -8.616 19.127 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 470 0.698 -14.233 8.583 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 470 0.421 -14.961 9.139 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 470 1.625 -14.114 8.790 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 471 -11.755 -19.693 5.784 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 471 -11.800 -18.754 5.962 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 471 -12.643 -19.928 5.513 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 472 1.558 -9.029 15.720 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 472 1.402 -8.351 15.062 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 472 2.490 -8.957 15.922 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 473 -8.131 -9.439 23.567 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 473 -7.363 -9.898 23.909 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 473 -8.152 -9.665 22.637 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 474 -1.554 -11.059 22.297 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 474 -1.905 -11.915 22.539 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 474 -0.828 -10.916 22.904 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 475 -12.821 -14.548 22.901 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 475 -12.677 -15.450 22.615 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 475 -13.594 -14.262 22.413 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 476 -6.260 -17.989 5.602 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 476 -6.440 -18.143 4.675 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 476 -5.309 -17.881 5.646 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 477 3.130 -15.634 5.047 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 477 2.857 -16.059 4.234 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 477 3.170 -14.703 4.830 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 478 4.274 -8.379 15.948 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 478 4.252 -8.194 16.887 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 478 4.964 -7.810 15.607 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 479 3.837 -8.812 18.870 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 479 3.350 -9.547 18.499 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 479 4.386 -9.205 19.549 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 480 3.589 -14.765 9.022 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 480 4.439 -14.344 9.150 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 480 3.594 -15.505 9.630 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 481 3.983 -16.712 10.846 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 481 3.257 -17.191 11.244 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 481 4.564 -16.506 11.578 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 482 2.229 -11.049 18.101 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 482 1.581 -10.724 18.727 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 482 1.711 -11.489 17.427 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 483 4.251 -16.811 7.237 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 483 3.730 -16.454 6.518 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 483 4.218 -16.136 7.915 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 484 -13.195 -16.113 15.419 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 484 -13.011 -16.195 14.484 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 484 -12.346 -16.236 15.843 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 485 -11.603 -11.360 22.063 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 485 -12.424 -11.184 21.604 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 485 -11.855 -11.433 22.984 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 486 2.210 -9.758 21.678 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 486 1.428 -9.944 21.159 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 486 2.138 -8.829 21.895 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 487 -0.942 -8.409 25.506 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 487 -0.567 -9.152 25.035 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 487 -0.938 -8.679 26.424 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 488 -6.077 -11.794 23.660 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 488 -5.838 -12.542 23.112 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 488 -6.346 -12.182 24.492 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 489 -10.071 -12.357 25.523 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 489 -9.479 -11.658 25.799 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 489 -9.612 -12.790 24.804 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 490 -4.039 -9.931 23.798 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 490 -4.683 -10.562 24.120 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 490 -3.277 -10.462 23.566 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 491 0.565 -10.114 24.032 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 491 0.848 -10.908 24.486 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 491 1.305 -9.881 23.471 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 492 -6.362 -7.298 25.459 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 492 -5.429 -7.140 25.604 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 492 -6.626 -6.623 24.834 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 493 -12.794 -12.662 24.942 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 493 -11.880 -12.583 25.215 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 493 -12.787 -13.349 24.276 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 494 -12.581 -9.282 27.307 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 494 -13.266 -9.320 26.639 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 494 -12.578 -8.369 27.596 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 495 -3.717 -8.072 25.704 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 495 -2.851 -7.706 25.526 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 495 -3.964 -8.512 24.892 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 496 -10.763 -8.362 24.332 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 496 -11.031 -8.075 25.206 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 496 -9.992 -8.908 24.484 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 497 -2.240 2.985 -26.003 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 497 -2.151 3.929 -26.136 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 497 -2.879 2.710 -26.661 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 498 -3.307 2.240 -22.584 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 498 -3.345 1.594 -21.880 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 498 -3.630 1.774 -23.355 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 499 0.399 5.178 -24.282 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 499 -0.042 4.458 -23.832 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 499 0.386 5.899 -23.652 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 500 -13.405 -0.035 -27.063 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 500 -13.853 0.810 -27.081 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 500 -13.966 -0.615 -27.578 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 501 -12.695 2.127 -24.938 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 501 -12.481 1.357 -24.410 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 501 -11.957 2.216 -25.540 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 502 -2.490 10.284 -24.070 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 502 -1.870 9.607 -24.343 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 502 -2.698 10.066 -23.162 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 503 3.745 -3.727 -21.317 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 503 3.794 -3.116 -20.581 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 503 4.171 -3.265 -22.040 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 504 -1.777 -0.933 -21.851 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 504 -1.634 -1.881 -21.830 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 504 -1.883 -0.727 -22.779 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 505 -8.622 -2.833 -24.578 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 505 -8.579 -1.972 -24.996 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 505 -9.080 -3.384 -25.211 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 506 -0.900 -2.701 -26.177 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 506 -0.254 -3.030 -25.552 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 506 -0.390 -2.183 -26.800 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 507 -6.846 1.115 -24.601 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 507 -6.230 0.589 -24.091 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 507 -7.432 0.475 -25.005 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 508 0.864 -3.411 -24.197 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 508 0.649 -4.177 -23.665 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 508 1.520 -2.938 -23.683 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 509 -12.714 5.396 -28.648 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 509 -12.986 5.626 -29.536 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 509 -12.669 6.235 -28.188 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 510 0.911 7.018 -21.934 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 510 -0.031 7.076 -21.773 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 510 1.187 7.925 -22.072 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 511 1.211 -4.695 -20.517 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 511 0.475 -4.085 -20.555 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 511 1.895 -4.280 -21.043 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 512 -5.786 -6.608 -23.051 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 512 -5.903 -7.557 -23.105 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 512 -6.641 -6.276 -22.778 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 513 -0.837 8.800 -25.309 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 513 -0.412 8.092 -25.794 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 513 -0.520 9.601 -25.726 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 514 2.008 5.267 -18.323 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 514 2.148 4.675 -19.062 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 514 2.176 6.139 -18.679 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 515 3.850 1.607 -20.258 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 515 3.198 2.301 -20.168 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 515 4.315 1.817 -21.067 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 516 -8.468 3.069 -25.716 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 516 -8.798 2.699 -26.535 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 516 -7.880 2.398 -25.370 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 517 -3.516 8.338 -26.479 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 517 -3.042 8.633 -25.701 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 517 -4.079 9.075 -26.712 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 518 -9.478 2.139 -28.127 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 518 -9.770 2.907 -28.618 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 518 -10.152 1.478 -28.290 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 519 4.563 7.947 -16.746 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 519 4.514 6.992 -16.783 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 519 3.737 8.216 -16.344 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 520 -10.390 10.082 -26.284 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 520 -10.238 9.735 -25.404 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 520 -11.241 9.726 -26.538 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 521 -8.517 -5.705 -22.273 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 521 -9.378 -5.792 -22.681 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 521 -8.539 -4.850 -21.846 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 522 -8.429 -0.518 -26.267 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 522 -9.322 -0.860 -26.325 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 522 -7.978 -0.895 -27.022 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 523 -1.889 -0.656 -24.636 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 523 -2.084 -0.051 -25.351 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 523 -1.707 -1.490 -25.070 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 524 -14.068 -3.304 -25.461 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 524 -13.437 -3.333 -24.741 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 524 -13.618 -3.728 -26.191 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 525 -5.847 -3.092 -25.180 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 525 -6.758 -3.034 -24.891 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 525 -5.342 -3.151 -24.369 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 526 -11.019 -1.462 -26.353 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 526 -11.908 -1.362 -26.694 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 526 -10.723 -2.304 -26.700 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 527 -4.527 -0.304 -23.293 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 527 -3.963 -0.850 -23.840 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 527 -4.675 -0.825 -22.505 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 528 -9.525 -4.168 -26.875 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 528 -9.842 -5.069 -26.910 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 528 -8.744 -4.165 -27.427 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 529 1.793 3.431 -20.409 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 529 2.435 3.888 -20.951 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 529 0.963 3.543 -20.870 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 530 -0.400 2.783 -22.153 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 530 -1.328 2.550 -22.180 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 530 0.051 2.006 -22.483 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 531 -7.857 7.111 -26.020 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 531 -7.330 7.883 -26.221 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 531 -8.737 7.335 -26.322 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 532 -6.430 4.774 -26.444 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 532 -6.671 5.699 -26.402 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 532 -7.170 4.314 -26.048 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 533 -5.915 8.922 -20.130 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 533 -5.552 9.777 -20.362 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 533 -5.383 8.630 -19.389 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 534 -7.746 9.796 -26.899 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 534 -8.696 9.900 -26.848 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 534 -7.395 10.616 -26.554 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 535 0.288 9.573 -17.959 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 535 -0.314 9.018 -18.454 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 535 0.569 10.241 -18.585 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 536 -3.987 -4.992 -26.792 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 536 -4.334 -4.373 -26.147 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 536 -3.329 -4.490 -27.273 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 537 0.471 0.572 -23.614 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 537 -0.326 0.156 -23.944 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 537 0.916 -0.119 -23.123 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 538 1.558 9.828 -21.992 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 538 1.402 10.506 -22.649 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 538 2.490 9.899 -21.789 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 539 -10.947 -6.054 -23.255 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 539 -11.176 -5.995 -24.182 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 539 -11.390 -6.846 -22.948 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 540 -12.017 7.886 -27.095 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 540 -12.849 8.358 -27.067 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 540 -11.471 8.396 -27.694 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 541 -6.262 -7.008 -16.338 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 541 -5.550 -7.647 -16.352 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 541 -6.363 -6.740 -17.252 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 542 -14.145 11.588 -26.548 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 542 -14.792 11.126 -27.081 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 542 -13.790 10.915 -25.965 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 543 -13.275 9.668 -24.743 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 543 -13.609 8.787 -24.572 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 543 -13.053 10.014 -23.880 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 544 3.742 4.929 -21.917 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 544 4.576 4.551 -22.198 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 544 3.854 5.873 -22.037 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 545 2.229 7.807 -19.610 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 545 1.581 8.133 -18.985 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 545 1.711 7.367 -20.285 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 546 2.092 -1.171 -22.404 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 546 3.025 -0.958 -22.438 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 546 1.857 -1.068 -21.481 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 547 -12.376 -3.674 -23.261 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 547 -11.931 -4.466 -22.958 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 547 -11.910 -2.958 -22.829 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 548 -14.072 -0.675 -22.191 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 548 -13.580 -0.895 -22.981 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 548 -13.710 0.167 -21.910 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 549 -13.795 -5.678 -19.792 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 549 -14.460 -5.925 -19.149 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 549 -14.238 -5.056 -20.369 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 550 -1.993 11.155 -17.186 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 550 -1.316 10.524 -17.426 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 550 -1.671 11.558 -16.378 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 551 -11.247 11.728 -19.342 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 551 -11.967 12.168 -19.793 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 551 -11.613 11.476 -18.493 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 552 -8.780 11.328 -20.312 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 552 -9.645 11.399 -19.909 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 552 -8.835 11.875 -21.096 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 553 -4.069 11.216 -21.136 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 553 -4.526 11.745 -21.790 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 553 -3.906 11.819 -20.411 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 554 -1.742 10.094 -20.191 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 554 -2.646 10.258 -20.457 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 554 -1.313 10.947 -20.258 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 555 0.863 11.664 -19.896 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 555 0.681 12.580 -20.107 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 555 1.039 11.254 -20.743 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 556 -11.832 10.351 -22.431 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 556 -11.851 9.925 -21.575 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 556 -11.027 10.033 -22.840 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 557 -7.154 9.530 -22.928 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 557 -6.941 8.643 -23.215 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 557 -7.089 9.496 -21.973 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 558 -3.645 -4.806 -23.784 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 558 -4.320 -5.434 -23.528 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 558 -3.081 -5.290 -24.386 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 559 1.497 -6.698 -23.671 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 559 2.101 -6.150 -24.172 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 559 0.628 -6.378 -23.912 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 560 -6.739 -6.244 -26.148 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 560 -5.865 -5.856 -26.178 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 560 -6.875 -6.460 -25.226 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 561 -1.182 -6.214 -24.499 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 561 -1.106 -6.119 -25.448 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 561 -1.458 -7.122 -24.370 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 562 -11.361 -5.657 -16.444 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 562 -11.727 -6.422 -16.002 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 562 -10.448 -5.628 -16.157 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 563 2.210 9.098 -16.033 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 563 1.428 8.912 -16.553 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 563 2.138 10.027 -15.816 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 564 3.646 7.716 -12.869 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 564 3.719 8.655 -12.698 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 564 4.551 7.412 -12.925 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 565 -0.942 10.447 -12.206 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 565 -0.567 9.704 -12.677 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 565 -0.938 10.178 -11.287 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 566 4.336 10.431 -12.297 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 566 5.079 11.017 -12.438 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 566 3.641 10.998 -11.964 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 567 0.565 8.742 -13.680 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 567 0.848 7.948 -13.226 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 567 1.305 8.976 -14.241 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 568 3.745 -3.727 16.395 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 568 3.794 -3.116 17.130 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 568 4.171 -3.265 15.671 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 569 4.137 -2.248 18.630 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 569 3.448 -1.591 18.535 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 569 4.152 -2.445 19.567 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 570 -13.385 4.502 18.399 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 570 -13.886 4.473 17.584 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 570 -13.379 3.596 18.709 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 571 4.563 7.947 20.965 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 571 4.514 6.992 20.928 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 571 3.737 8.216 21.367 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 572 1.845 11.816 22.072 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 572 2.045 12.240 21.237 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 572 2.501 12.159 22.679 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 573 -5.915 8.922 17.582 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 573 -5.552 9.777 17.349 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 573 -5.383 8.630 18.323 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 574 -11.939 8.611 17.595 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 574 -11.722 7.680 17.563 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 574 -11.692 8.886 18.479 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 575 1.869 -3.179 20.002 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 575 0.953 -2.916 19.913 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 575 2.205 -3.182 19.104 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 576 -12.728 10.498 21.947 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 576 -12.188 10.281 22.706 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 576 -13.209 9.693 21.758 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 577 -8.131 9.418 23.567 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 577 -7.363 8.959 23.909 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 577 -8.152 9.191 22.637 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 578 -1.554 7.797 22.297 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 578 -1.905 6.941 22.539 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 578 -0.828 7.941 22.904 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 579 4.123 0.538 21.732 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 579 3.260 0.159 21.567 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 579 4.727 -0.200 21.659 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 580 4.404 -6.454 23.438 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 580 4.754 -7.107 22.831 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 580 4.551 -5.617 22.997 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 581 3.924 -4.345 21.787 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 581 3.007 -4.073 21.750 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 581 4.047 -4.880 21.002 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 582 -8.649 8.472 18.322 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 582 -9.074 9.280 18.040 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 582 -7.744 8.556 18.020 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 583 -4.338 9.870 21.282 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 583 -4.153 9.537 22.160 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 583 -3.491 10.180 20.959 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 584 -1.993 11.155 20.526 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 584 -1.316 10.524 20.285 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 584 -1.671 11.558 21.334 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 585 2.925 -6.255 19.605 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 585 2.112 -5.929 19.218 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 585 3.158 -7.014 19.072 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 586 -11.247 11.728 18.369 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 586 -11.967 12.168 17.918 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 586 -11.613 11.476 19.218 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 587 -8.780 11.328 17.399 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 587 -9.645 11.399 17.803 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 587 -8.835 11.875 16.616 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 588 -4.069 11.216 16.575 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 588 -4.526 11.745 15.921 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 588 -3.906 11.819 17.300 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 589 -0.966 -6.974 22.986 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 589 -0.890 -7.400 23.840 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 589 -0.073 -6.960 22.643 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 590 2.210 9.098 21.678 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 590 1.428 8.912 21.159 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 590 2.138 10.027 21.895 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 591 -12.714 5.396 27.920 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 591 -12.986 5.626 27.032 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 591 -12.669 6.235 28.380 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 592 -3.519 2.228 28.017 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 592 -4.231 2.764 27.665 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 592 -2.828 2.284 27.357 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 593 -1.242 1.601 26.654 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 593 -0.663 1.751 27.401 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 593 -0.828 2.071 25.930 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 594 2.456 -6.649 26.466 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 594 1.557 -6.510 26.761 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 594 2.708 -5.819 26.064 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 595 -9.478 2.139 28.441 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 595 -9.770 2.907 27.950 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 595 -10.152 1.478 28.277 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 596 3.646 7.716 24.843 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 596 3.719 8.655 25.014 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 596 4.551 7.412 24.786 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 597 -0.942 10.447 25.506 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 597 -0.567 9.704 25.035 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 597 -0.938 10.178 26.424 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 598 0.235 2.634 24.284 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 598 0.277 2.410 23.353 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 598 1.084 3.032 24.474 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 599 -2.893 -0.103 29.118 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 599 -3.302 0.713 28.826 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 599 -2.173 -0.242 28.503 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 600 -7.310 -3.046 24.054 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 600 -7.741 -3.490 24.785 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 600 -8.028 -2.674 23.542 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 601 -12.793 -2.557 26.530 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 601 -12.319 -1.967 25.945 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 601 -13.511 -2.026 26.877 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 602 -7.366 -1.462 27.870 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 602 -6.434 -1.333 28.048 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 602 -7.581 -0.792 27.221 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 603 -8.692 -0.268 25.438 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 603 -9.234 -0.647 24.746 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 603 -7.858 -0.074 25.008 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 604 -5.357 4.298 27.373 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 604 -6.101 3.790 27.050 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 604 -5.491 4.346 28.319 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 605 -0.741 -1.022 27.233 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 605 0.151 -1.159 27.552 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 605 -0.684 -0.231 26.697 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 606 -3.231 5.756 26.398 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 606 -3.526 6.582 26.780 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 606 -3.934 5.136 26.595 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 607 2.440 7.975 27.392 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 607 2.067 7.149 27.703 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 607 2.717 7.791 26.495 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 608 -12.102 1.973 25.134 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 608 -11.486 2.599 25.514 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 608 -12.964 2.288 25.405 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 609 -0.168 5.950 25.213 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 609 0.185 5.571 26.017 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 609 -1.117 5.857 25.299 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 610 0.698 4.623 27.439 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 610 0.421 3.896 27.995 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 610 1.625 4.742 27.645 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 611 -6.077 7.062 23.660 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 611 -5.838 6.315 23.112 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 611 -6.346 6.675 24.492 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 612 -7.140 6.633 26.116 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 612 -6.993 6.113 26.907 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 612 -7.143 7.540 26.422 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 613 -10.687 3.886 26.627 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 613 -11.373 4.237 27.194 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 613 -10.164 4.649 26.380 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 614 -2.071 -3.800 28.002 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 614 -1.851 -3.328 27.200 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 614 -1.513 -3.405 28.673 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 615 -4.871 -2.073 28.837 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 615 -4.059 -1.568 28.883 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 615 -5.116 -2.217 29.752 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 616 -7.064 9.373 26.848 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 616 -6.903 10.174 26.346 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 616 -7.261 9.681 27.732 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 617 -8.330 -3.929 26.463 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 617 -8.413 -3.039 26.809 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 617 -7.440 -4.194 26.694 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 618 -10.071 6.499 25.523 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 618 -9.479 7.198 25.799 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 618 -9.612 6.066 24.804 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 619 -11.755 -0.837 24.639 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 619 -11.800 0.103 24.819 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 619 -12.643 -1.072 24.369 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 620 -4.039 8.925 23.798 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 620 -4.683 8.294 24.120 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 620 -3.277 8.395 23.566 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 621 0.565 8.742 24.032 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 621 0.848 7.948 24.486 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 621 1.305 8.976 23.471 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 622 -3.128 5.700 23.625 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 622 -3.396 5.880 24.526 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 622 -3.334 4.774 23.494 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 623 -7.331 2.625 26.195 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 623 -7.790 2.141 26.881 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 623 -7.076 1.957 25.559 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 624 3.130 3.223 23.904 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 624 2.857 2.797 23.090 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 624 3.170 4.154 23.686 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 625 -12.794 6.194 24.942 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 625 -11.880 6.274 25.215 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 625 -12.787 5.508 24.276 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 626 4.251 2.046 26.093 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 626 3.730 2.402 25.374 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 626 4.218 2.720 26.771 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 627 2.600 -0.715 24.645 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 627 2.697 -0.047 23.965 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 627 2.460 -1.530 24.163 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 628 1.848 -3.307 23.761 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 628 2.458 -3.679 24.398 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 628 1.011 -3.728 23.957 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 629 1.480 -1.751 28.727 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 629 1.760 -2.658 28.852 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 629 2.239 -1.317 28.338 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 630 3.960 -4.421 25.304 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 630 4.373 -5.143 24.828 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 630 4.642 -3.751 25.362 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 631 -12.482 -6.373 26.410 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 631 -12.043 -5.762 25.819 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 631 -13.116 -5.835 26.883 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 632 0.171 -6.188 27.761 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 632 -0.532 -5.575 27.551 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 632 -0.274 -7.026 27.892 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 633 -10.621 -4.457 24.852 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 633 -10.130 -5.088 24.325 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 633 -9.998 -4.162 25.515 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 634 -5.595 -4.165 27.309 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 634 -5.417 -4.810 27.992 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 634 -5.649 -3.331 27.776 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 635 -10.763 10.495 24.332 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 635 -11.031 10.782 25.206 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 635 -9.992 9.948 24.484 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 636 -9.812 14.941 -20.505 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 636 -10.031 15.471 -21.270 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 636 -10.480 15.168 -19.856 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 637 -5.786 12.247 -23.051 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 637 -5.903 11.298 -23.105 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 637 -6.641 12.579 -22.778 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 638 -8.517 13.150 -22.273 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 638 -9.378 13.063 -22.681 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 638 -8.539 14.006 -21.846 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 639 -3.854 12.872 -18.899 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 639 -3.434 12.457 -18.146 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 639 -4.787 12.694 -18.782 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 640 -11.590 15.662 -18.552 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 640 -12.483 16.002 -18.619 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 640 -11.689 14.807 -18.134 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 641 -10.947 12.801 -23.255 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 641 -11.176 12.860 -24.182 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 641 -11.390 12.009 -22.948 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 642 -7.702 16.728 -16.933 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 642 -7.552 15.999 -17.536 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 642 -7.700 17.505 -17.492 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 643 -7.290 15.098 -19.441 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 643 -6.754 15.549 -20.093 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 643 -8.142 14.990 -19.863 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 644 -9.224 17.926 -15.022 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 644 -9.991 17.394 -15.232 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 644 -8.545 17.616 -15.621 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 645 -6.484 12.554 -19.009 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 645 -6.582 13.501 -19.115 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 645 -7.227 12.182 -19.485 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 646 -5.220 16.877 -15.446 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 646 -5.456 16.656 -14.544 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 646 -6.003 16.669 -15.955 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 647 -11.043 15.847 -15.317 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 647 -10.832 15.140 -15.928 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 647 -11.155 15.409 -14.473 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 648 -5.909 13.531 -14.284 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 648 -6.040 13.055 -15.105 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 648 -6.508 14.275 -14.340 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 649 -13.597 16.870 -16.151 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 649 -12.678 16.748 -15.915 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 649 -14.047 16.120 -15.762 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 650 4.404 12.402 -14.274 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 650 4.754 11.748 -14.880 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 650 4.551 13.239 -14.714 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 651 -13.795 13.177 -19.792 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 651 -14.460 12.931 -19.149 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 651 -14.238 13.799 -20.369 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 652 -11.319 12.684 -25.961 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 652 -12.096 12.450 -26.470 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 652 -10.788 11.887 -25.953 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 653 -0.966 11.881 -14.726 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 653 -0.890 11.455 -13.872 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 653 -0.073 11.895 -15.068 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 654 -10.939 20.710 -2.135 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 654 -10.897 20.084 -1.411 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 654 -10.236 21.333 -1.953 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 655 -13.405 18.820 -8.207 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 655 -13.853 19.666 -8.226 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 655 -13.966 18.240 -8.723 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 656 -12.695 20.982 -6.082 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 656 -12.481 20.212 -5.554 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 656 -11.957 21.072 -6.684 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 657 3.745 15.129 -2.461 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 657 3.794 15.739 -1.725 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 657 4.171 15.590 -3.184 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 658 -1.777 17.922 -2.994 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 658 -1.634 16.975 -2.974 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 658 -1.883 18.130 -3.923 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 659 -0.900 16.154 -7.321 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 659 -0.254 15.825 -6.696 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 659 -0.390 16.672 -7.944 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 660 -12.002 18.420 -4.960 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 660 -11.348 17.870 -4.528 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 660 -11.978 18.146 -5.877 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 661 -6.846 19.970 -5.744 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 661 -6.230 19.444 -5.236 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 661 -7.432 19.330 -6.148 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 662 4.137 16.607 -0.225 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 662 3.448 17.265 -0.321 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 662 4.152 16.410 0.712 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 663 0.864 15.445 -5.340 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 663 0.649 14.679 -4.808 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 663 1.520 15.917 -4.827 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 664 -0.216 19.468 0.325 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 664 -0.136 20.231 0.897 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 664 -0.817 19.747 -0.366 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 665 -8.468 21.924 -6.861 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 665 -8.798 21.554 -7.679 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 665 -7.880 21.255 -6.514 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 666 -8.101 20.694 -3.227 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 666 -7.536 20.814 -3.990 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 666 -7.782 21.330 -2.588 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 667 2.456 12.206 -11.245 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 667 1.557 12.345 -10.950 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 667 2.708 13.037 -11.648 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 668 -9.478 20.994 -9.271 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 668 -9.770 21.762 -9.762 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 668 -10.152 20.334 -9.434 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 669 1.715 18.296 2.590 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 669 1.308 18.777 1.870 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 669 1.756 17.391 2.283 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 670 -0.528 16.628 0.811 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 670 -1.042 16.502 1.607 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 670 -0.683 17.540 0.566 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 671 -4.192 15.365 -12.758 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 671 -4.446 15.384 -11.835 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 671 -4.449 14.493 -13.059 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 672 -8.426 18.116 -2.322 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 672 -9.068 18.075 -1.613 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 672 -8.389 19.042 -2.560 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 673 -8.429 18.337 -7.410 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 673 -9.322 17.996 -7.470 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 673 -7.978 17.960 -8.166 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 674 -2.893 18.753 -8.593 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 674 -3.302 19.569 -8.886 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 674 -2.173 18.613 -9.209 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 675 -3.791 18.928 2.895 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 675 -4.354 18.224 3.215 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 675 -2.965 18.808 3.362 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 676 -1.889 18.200 -5.779 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 676 -2.084 18.804 -6.494 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 676 -1.707 17.365 -6.214 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 677 -10.676 18.436 -0.455 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 677 -10.714 18.836 0.413 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 677 -11.167 17.619 -0.365 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 678 -7.310 15.810 -13.657 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 678 -7.741 15.365 -12.927 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 678 -8.028 16.182 -14.169 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 679 -12.793 16.298 -11.181 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 679 -12.319 16.889 -11.767 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 679 -13.511 16.829 -10.834 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 680 -2.625 19.837 -1.108 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 680 -2.301 19.206 -1.751 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 680 -3.065 19.302 -0.447 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 681 -7.366 17.393 -9.841 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 681 -6.434 17.522 -9.663 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 681 -7.581 18.063 -10.491 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 682 -8.692 18.588 -12.274 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 682 -9.234 18.208 -12.965 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 682 -7.858 18.782 -12.703 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 683 -4.527 18.552 -4.438 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 683 -3.963 18.005 -4.984 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 683 -4.675 18.030 -3.648 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 684 -5.901 16.941 -2.023 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 684 -6.736 17.394 -1.913 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 684 -5.377 17.216 -1.271 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 685 -13.224 20.909 0.746 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 685 -13.001 20.491 1.578 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 685 -13.826 20.296 0.324 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 686 -2.855 15.403 -0.806 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 686 -2.157 15.477 -0.156 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 686 -3.236 14.539 -0.651 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 687 -2.071 15.055 -9.709 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 687 -1.851 15.527 -10.512 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 687 -1.513 15.450 -9.038 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 688 -4.871 16.783 -8.874 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 688 -4.059 17.287 -8.829 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 688 -5.116 16.639 -7.960 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 689 -4.335 17.769 0.311 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 689 -4.216 18.343 1.068 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 689 -3.680 17.081 0.426 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 690 -3.987 13.864 -7.936 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 690 -4.334 14.482 -7.291 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 690 -3.329 14.365 -8.418 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 691 -8.330 14.927 -11.248 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 691 -8.413 15.816 -10.902 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 691 -7.440 14.662 -11.018 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 692 1.869 15.676 1.146 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 692 0.953 15.939 1.058 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 692 2.205 15.673 0.248 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 693 0.471 19.427 -4.758 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 693 -0.326 19.012 -5.087 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 693 0.916 18.736 -4.268 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 694 -11.755 18.019 -13.072 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 694 -11.800 18.958 -12.893 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 694 -12.643 17.784 -13.343 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 695 -11.989 20.364 3.465 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 695 -11.581 19.508 3.345 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 695 -12.249 20.380 4.387 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 696 -8.042 19.373 0.840 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 696 -8.660 20.048 1.121 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 696 -7.698 19.694 0.006 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 697 -7.702 16.728 1.923 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 697 -7.552 15.999 1.320 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 697 -7.700 17.505 1.364 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 698 -7.290 15.098 -0.585 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 698 -6.754 15.549 -1.237 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 698 -8.142 14.990 -1.007 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 699 -1.292 18.352 4.683 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 699 -1.100 17.421 4.572 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 699 -0.435 18.777 4.673 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 700 -9.224 17.926 3.833 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 700 -9.991 17.394 3.624 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 700 -8.545 17.616 3.235 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 701 -5.220 16.877 3.410 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 701 -5.456 16.656 4.311 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 701 -6.003 16.669 2.901 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 702 -2.504 16.003 2.486 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 702 -3.452 16.035 2.618 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 702 -2.192 15.378 3.139 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 703 -11.043 15.847 3.538 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 703 -10.832 15.140 2.928 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 703 -11.155 15.409 4.383 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 704 -13.195 21.599 -3.436 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 704 -13.011 21.517 -4.371 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 704 -12.346 21.476 -3.012 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 705 1.480 17.104 -8.985 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 705 1.760 16.197 -8.860 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 705 2.239 17.538 -9.373 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 706 2.092 17.685 -3.548 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 706 3.025 17.897 -3.582 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 706 1.857 17.787 -2.625 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 707 2.121 18.422 -0.772 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 707 1.278 18.691 -0.406 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 707 2.564 19.244 -0.983 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 708 -13.597 16.870 2.705 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 708 -12.678 16.748 2.941 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 708 -14.047 16.120 3.094 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 709 2.094 14.367 -8.935 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 709 2.276 13.918 -8.111 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 709 1.494 13.782 -9.399 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 710 3.960 14.434 -12.407 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 710 4.373 13.713 -12.883 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 710 4.642 15.104 -12.349 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 711 -5.595 14.691 -10.402 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 711 -5.417 14.045 -9.720 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 711 -5.649 15.525 -9.935 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 712 -1.777 17.922 15.861 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 712 -1.634 16.975 15.881 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 712 -1.883 18.130 14.932 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 713 -8.622 16.023 13.133 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 713 -8.579 16.883 12.715 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 713 -9.080 15.471 12.500 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 714 -0.900 16.154 11.534 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 714 -0.254 15.825 12.159 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 714 -0.390 16.672 10.912 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 715 4.137 16.607 18.630 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 715 3.448 17.265 18.535 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 715 4.152 16.410 19.567 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 716 -5.786 12.247 14.660 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 716 -5.903 11.298 14.606 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 716 -6.641 12.579 14.933 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 717 -3.465 19.542 6.199 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 717 -2.764 19.564 6.850 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 717 -3.163 18.914 5.543 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 718 3.850 20.462 17.454 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 718 3.198 21.157 17.543 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 718 4.315 20.672 16.645 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 719 -0.216 19.468 19.180 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 719 -0.136 20.231 19.752 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 719 -0.817 19.747 18.489 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 720 1.715 18.296 21.445 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 720 1.308 18.777 20.726 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 720 1.756 17.391 21.139 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 721 -8.517 13.150 15.438 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 721 -9.378 13.063 15.030 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 721 -8.539 14.006 15.865 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 722 -3.854 12.872 18.812 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 722 -3.434 12.457 19.566 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 722 -4.787 12.694 18.929 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 723 -0.528 16.628 19.666 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 723 -1.042 16.502 20.463 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 723 -0.683 17.540 19.421 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 724 -2.893 18.753 10.262 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 724 -3.302 19.569 9.970 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 724 -2.173 18.613 9.647 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 725 -1.889 18.200 13.076 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 725 -2.084 18.804 12.361 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 725 -1.707 17.365 12.641 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 726 -7.310 15.810 5.198 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 726 -7.741 15.365 5.928 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 726 -8.028 16.182 4.686 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 727 -14.068 15.552 12.250 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 727 -13.437 15.523 12.970 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 727 -13.618 15.127 11.520 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 728 -12.793 16.298 7.674 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 728 -12.319 16.889 7.089 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 728 -13.511 16.829 8.021 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 729 -5.847 15.764 12.531 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 729 -6.758 15.821 12.820 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 729 -5.342 15.704 13.342 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 730 -1.442 14.999 15.795 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 730 -2.119 15.130 16.459 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 730 -1.928 14.844 14.986 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 731 -9.525 14.688 10.836 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 731 -9.842 13.786 10.801 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 731 -8.744 14.690 10.284 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 732 -1.459 15.967 6.716 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 732 -2.397 16.079 6.565 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 732 -1.162 16.825 7.022 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 733 -0.741 17.834 8.377 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 733 0.151 17.697 8.697 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 733 -0.684 18.625 7.840 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 734 4.144 18.044 8.072 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 734 3.590 17.648 7.399 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 734 4.245 18.954 7.794 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 735 -2.855 15.403 18.049 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 735 -2.157 15.477 18.700 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 735 -3.236 14.539 18.204 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 736 -2.071 15.055 9.146 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 736 -1.851 15.527 8.343 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 736 -1.513 15.450 9.817 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 737 -4.871 16.783 9.982 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 737 -4.059 17.287 10.027 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 737 -5.116 16.639 10.895 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 738 -3.987 13.864 10.919 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 738 -4.334 14.482 11.564 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 738 -3.329 14.365 10.438 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 739 -8.330 14.927 7.607 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 739 -8.413 15.816 7.953 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 739 -7.440 14.662 7.838 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 740 1.869 15.676 20.002 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 740 0.953 15.939 19.913 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 740 2.205 15.673 19.104 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 741 0.471 19.427 14.098 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 741 -0.326 19.012 13.768 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 741 0.916 18.736 14.588 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 742 -11.755 18.019 5.784 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 742 -11.800 18.958 5.962 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 742 -12.643 17.784 5.513 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 743 -10.947 12.801 14.457 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 743 -11.176 12.860 13.529 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 743 -11.390 12.009 14.763 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 744 -6.484 12.554 18.703 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 744 -6.582 13.501 18.596 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 744 -7.227 12.182 18.227 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 745 -2.504 16.003 21.341 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 745 -3.452 16.035 21.474 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 745 -2.192 15.378 21.995 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 746 -0.870 14.637 23.346 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 746 -0.967 13.685 23.340 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 746 -1.192 14.906 24.207 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 747 -6.262 11.848 21.373 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 747 -5.550 11.208 21.360 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 747 -6.363 12.115 20.459 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 748 3.983 21.000 10.846 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 748 3.257 20.521 11.244 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 748 4.564 21.206 11.578 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 749 4.251 20.901 7.237 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 749 3.730 21.258 6.518 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 749 4.218 21.576 7.915 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 750 2.600 18.141 5.788 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 750 2.697 18.808 5.108 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 750 2.460 17.325 5.306 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 751 1.770 19.521 11.409 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 751 1.620 18.576 11.389 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 751 1.416 19.802 12.253 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 752 1.848 15.549 4.905 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 752 2.458 15.177 5.542 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 752 1.011 15.127 5.101 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 753 1.480 17.104 9.871 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 753 1.760 16.197 9.996 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 753 2.239 17.538 9.482 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 754 2.092 17.685 15.307 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 754 3.025 17.897 15.273 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 754 1.857 17.787 16.230 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 755 2.121 18.422 18.084 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 755 1.278 18.691 18.450 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 755 2.564 19.244 17.872 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 756 4.404 12.402 23.438 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 756 4.754 11.748 22.831 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 756 4.551 13.239 22.997 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 757 -12.376 15.182 14.451 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 757 -11.931 14.390 14.753 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 757 -11.910 15.898 14.882 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 758 3.924 14.511 21.787 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 758 3.007 14.782 21.750 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 758 4.047 13.976 21.002 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 759 -13.759 14.439 9.575 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 759 -14.684 14.648 9.445 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 759 -13.305 14.923 8.886 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 760 -13.795 13.177 17.919 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 760 -14.460 12.931 18.562 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 760 -14.238 13.799 17.343 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 761 -3.645 14.050 13.928 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 761 -4.320 13.421 14.183 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 761 -3.081 13.566 13.325 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 762 -12.482 12.482 7.553 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 762 -12.043 13.093 6.962 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 762 -13.116 13.020 8.027 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 763 -10.621 14.398 5.996 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 763 -10.130 13.768 5.468 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 763 -9.998 14.694 6.659 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 764 -5.595 14.691 8.453 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 764 -5.417 14.045 9.136 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 764 -5.649 15.525 8.921 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 765 -0.966 11.881 22.986 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 765 -0.890 11.455 23.840 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 765 -0.073 11.895 22.643 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 766 1.848 15.549 23.761 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 766 2.458 15.177 24.398 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 766 1.011 15.127 23.957 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 767 9.874 -10.548 -16.602 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 767 9.882 -10.684 -17.550 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 767 8.958 -10.666 -16.350 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 768 5.471 -14.355 -19.312 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 768 4.970 -14.383 -20.127 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 768 5.477 -15.261 -19.002 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 769 7.720 -13.032 -18.270 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 769 7.937 -13.393 -17.409 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 769 6.865 -13.406 -18.479 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 770 8.299 -14.567 -16.031 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 770 9.032 -14.313 -15.470 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 770 7.519 -14.363 -15.516 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 771 5.632 -16.803 -18.110 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 771 5.855 -17.221 -17.278 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 771 5.030 -17.416 -18.532 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 772 6.917 -10.245 -20.117 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 772 7.134 -11.177 -20.148 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 772 7.164 -9.971 -19.233 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 773 10.725 -9.439 -14.144 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 773 11.493 -9.898 -13.803 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 773 10.704 -9.665 -15.074 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 774 6.035 -14.548 -14.810 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 774 6.179 -15.450 -15.096 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 774 5.262 -14.262 -15.298 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 775 6.867 -17.348 -15.390 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 775 7.275 -18.205 -15.511 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 775 6.607 -17.332 -14.469 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 776 7.253 -11.360 -15.648 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 776 6.432 -11.184 -16.108 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 776 7.001 -11.433 -14.727 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 777 7.609 -7.129 -19.342 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 777 6.889 -6.689 -19.793 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 777 7.243 -7.380 -18.493 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 778 10.076 -7.529 -20.312 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 778 9.211 -7.457 -19.909 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 778 10.021 -6.982 -21.096 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 779 7.917 -17.002 -2.135 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 779 7.959 -17.628 -1.411 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 779 8.620 -16.379 -1.953 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 780 5.451 -18.892 -8.207 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 780 5.003 -18.046 -8.226 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 780 4.890 -19.472 -8.723 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 781 13.938 -14.184 -3.322 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 781 14.242 -14.870 -3.916 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 781 14.660 -14.066 -2.704 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 782 6.854 -19.291 -4.960 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 782 7.508 -19.841 -4.528 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 782 6.878 -19.566 -5.877 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 783 12.010 -17.742 -5.744 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 783 12.626 -18.268 -5.236 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 783 11.424 -18.382 -6.148 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 784 11.613 -15.095 -1.360 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 784 10.873 -14.497 -1.257 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 784 12.327 -14.541 -1.676 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 785 8.638 -20.879 -3.695 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 785 9.251 -20.245 -3.322 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 785 9.150 -21.351 -4.353 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 786 10.388 -15.788 -6.861 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 786 10.058 -16.158 -7.679 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 786 10.976 -16.457 -6.514 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 787 11.755 -12.360 -4.179 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 787 11.660 -12.938 -4.936 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 787 12.484 -12.731 -3.683 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 788 10.755 -17.018 -3.227 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 788 11.320 -16.898 -3.990 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 788 11.074 -16.382 -2.588 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 789 9.378 -16.718 -9.271 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 789 9.086 -15.950 -9.762 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 789 8.704 -17.378 -9.434 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 790 14.398 -11.335 0.986 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 790 14.485 -10.509 1.461 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 790 13.534 -11.665 1.235 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 791 10.430 -19.596 -2.322 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 791 9.788 -19.637 -1.613 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 791 10.467 -18.669 -2.560 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 792 10.427 -19.375 -7.410 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 792 9.534 -19.716 -7.470 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 792 10.878 -19.752 -8.166 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 793 8.180 -19.276 -0.455 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 793 8.142 -18.876 0.413 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 793 7.689 -20.093 -0.365 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 794 4.788 -22.160 -6.605 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 794 5.419 -22.189 -5.885 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 794 5.238 -22.585 -7.335 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 795 7.837 -20.319 -7.497 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 795 6.948 -20.219 -7.837 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 795 8.133 -21.160 -7.843 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 796 15.019 -14.375 0.899 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 796 14.673 -14.756 1.705 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 796 14.819 -13.441 0.970 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 797 5.632 -16.803 0.746 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 797 5.855 -17.221 1.578 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 797 5.030 -17.416 0.324 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 798 12.649 -17.286 2.958 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 798 12.353 -17.452 2.064 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 798 13.580 -17.506 2.949 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 799 10.999 -11.745 -7.165 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 799 11.526 -10.973 -7.365 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 799 10.119 -11.521 -7.466 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 800 6.754 -16.884 -12.578 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 800 7.370 -16.257 -12.198 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 800 5.892 -16.568 -12.306 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 801 12.426 -14.083 -7.588 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 801 12.185 -13.158 -7.546 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 801 11.686 -14.542 -7.192 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 802 12.941 -9.934 -1.273 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 802 13.304 -9.079 -1.506 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 802 13.473 -10.226 -0.532 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 803 11.110 -9.061 -8.043 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 803 10.160 -8.956 -7.992 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 803 11.461 -8.241 -7.698 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 804 11.716 -12.224 -11.595 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 804 11.863 -12.744 -10.805 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 804 11.713 -11.317 -11.290 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 805 8.169 -14.971 -11.085 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 805 7.483 -14.619 -10.518 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 805 8.692 -14.208 -11.331 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 806 14.454 -10.526 -10.846 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 806 13.637 -10.029 -10.793 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 806 14.983 -10.051 -11.486 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 807 11.792 -9.483 -10.864 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 807 11.953 -8.683 -11.366 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 807 11.595 -9.176 -9.979 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 808 8.785 -12.357 -12.188 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 808 9.377 -11.658 -11.912 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 808 9.244 -12.790 -12.907 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 809 17.302 -11.059 3.441 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 809 16.951 -11.915 3.683 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 809 18.028 -10.916 4.048 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 810 10.376 -14.204 -13.822 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 810 10.440 -14.998 -13.291 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 810 11.029 -14.323 -14.511 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 811 12.690 -14.578 3.478 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 811 12.362 -14.307 2.621 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 811 12.842 -15.519 3.391 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 812 6.867 -17.348 3.465 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 812 7.275 -18.205 3.345 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 812 6.607 -17.332 4.387 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 813 10.814 -18.338 0.840 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 813 10.196 -17.664 1.121 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 813 11.158 -18.018 0.006 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 814 13.148 -17.175 -0.345 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 814 13.899 -17.331 -0.918 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 814 12.809 -16.323 -0.621 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 815 9.632 -19.786 3.833 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 815 8.865 -20.318 3.624 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 815 10.311 -20.096 3.235 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 816 12.494 -7.298 -12.252 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 816 13.427 -7.140 -12.108 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 816 12.230 -6.623 -12.878 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 817 6.480 -22.530 -4.404 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 817 6.925 -23.322 -4.103 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 817 6.946 -21.814 -3.973 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 818 4.784 -19.530 -3.335 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 818 5.276 -19.752 -4.125 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 818 5.146 -18.690 -3.054 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 819 14.518 -8.986 2.426 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 819 14.703 -9.320 3.304 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 819 15.365 -8.677 2.104 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 820 16.863 -7.701 1.670 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 820 17.540 -8.333 1.429 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 820 17.185 -7.299 2.478 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 821 14.787 -7.641 -2.280 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 821 14.330 -7.112 -2.934 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 821 14.950 -7.038 -1.555 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 822 9.165 -9.796 -4.920 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 822 8.946 -10.712 -4.752 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 822 9.989 -9.655 -4.454 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 823 11.702 -9.326 -4.072 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 823 11.915 -10.214 -4.359 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 823 11.767 -9.360 -3.117 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 824 15.139 -8.072 -12.008 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 824 16.005 -7.706 -12.185 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 824 14.892 -8.512 -12.820 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 825 15.340 -10.519 11.232 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 825 15.814 -10.224 12.011 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 825 14.777 -9.780 10.999 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 826 9.378 -16.718 9.584 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 826 9.086 -15.950 9.093 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 826 8.704 -17.378 9.421 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 827 5.222 -11.575 15.284 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 827 6.168 -11.719 15.264 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 827 5.109 -10.791 15.820 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 828 14.812 -7.563 9.647 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 828 14.737 -7.684 8.701 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 828 14.845 -6.613 9.767 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 829 8.466 -8.774 11.428 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 829 8.618 -9.122 12.307 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 829 7.615 -9.130 11.173 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 830 17.914 -8.409 6.650 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 830 18.289 -9.152 6.179 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 830 17.918 -8.679 7.568 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 831 17.583 -8.483 9.399 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 831 16.648 -8.383 9.578 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 831 17.863 -9.192 9.977 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 832 10.164 -19.123 6.581 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 832 9.622 -19.504 5.890 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 832 10.998 -18.930 6.152 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 833 13.499 -14.559 8.517 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 833 12.755 -15.066 8.194 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 833 13.365 -14.510 9.463 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 834 15.625 -13.100 7.542 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 834 15.330 -12.274 7.924 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 834 14.922 -13.720 7.738 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 835 10.999 -11.745 11.691 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 835 11.526 -10.973 11.490 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 835 10.119 -11.521 11.389 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 836 6.754 -16.884 6.278 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 836 7.370 -16.257 6.657 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 836 5.892 -16.568 6.549 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 837 12.426 -14.083 11.267 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 837 12.185 -13.158 11.309 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 837 11.686 -14.542 11.663 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 838 11.110 -9.061 10.812 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 838 10.160 -8.956 10.864 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 838 11.461 -8.241 11.157 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 839 7.101 -19.693 5.784 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 839 7.056 -18.754 5.962 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 839 6.213 -19.928 5.513 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 840 6.839 -10.971 10.617 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 840 6.007 -10.498 10.644 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 840 7.385 -10.461 10.018 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 841 19.421 -10.114 5.176 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 841 19.704 -10.908 5.630 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 841 20.161 -9.881 4.615 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 842 15.728 -13.157 4.769 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 842 15.460 -12.977 5.670 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 842 15.522 -14.083 4.638 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 843 11.525 -16.232 7.339 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 843 11.066 -16.716 8.025 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 843 11.780 -16.899 6.703 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 844 12.596 -17.989 5.602 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 844 12.416 -18.143 4.675 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 844 13.547 -17.881 5.646 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 845 5.581 -9.188 12.968 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 845 5.247 -10.069 13.140 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 845 5.803 -8.843 13.832 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 846 7.024 -8.506 15.280 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 846 7.005 -8.931 16.137 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 846 7.829 -8.824 14.871 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 847 9.165 -9.796 13.935 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 847 8.946 -10.712 14.104 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 847 9.989 -9.655 14.401 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 848 7.917 1.855 -20.991 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 848 7.959 1.229 -20.267 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 848 8.620 2.478 -20.809 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 849 6.854 -0.435 -23.816 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 849 7.508 -0.986 -23.384 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 849 6.878 -0.709 -24.732 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 850 9.044 -3.914 -20.505 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 850 8.825 -3.384 -21.270 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 850 8.376 -3.687 -19.856 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 851 8.638 -2.022 -22.551 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 851 9.251 -1.389 -22.178 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 851 9.150 -2.494 -23.208 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 852 8.555 2.434 -18.137 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 852 8.625 3.086 -17.439 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 852 7.664 2.538 -18.472 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 853 9.874 8.309 -16.602 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 853 9.882 8.172 -17.550 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 853 8.958 8.191 -16.350 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 854 5.471 4.502 -19.312 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 854 4.970 4.473 -20.127 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 854 5.477 3.596 -19.002 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 855 7.720 5.825 -18.270 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 855 7.937 5.463 -17.409 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 855 6.865 5.450 -18.479 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 856 10.430 -0.740 -21.178 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 856 9.788 -0.780 -20.470 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 856 10.467 0.187 -21.416 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 857 15.065 0.073 -15.961 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 857 14.502 -0.631 -15.641 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 857 15.891 -0.047 -15.494 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 858 8.180 -0.419 -19.311 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 858 8.142 -0.019 -18.444 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 858 7.689 -1.236 -19.221 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 859 8.299 4.290 -16.031 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 859 9.032 4.543 -15.470 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 859 7.519 4.494 -15.516 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 860 12.955 -1.916 -20.880 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 860 12.120 -1.462 -20.769 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 860 13.479 -1.639 -20.127 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 861 12.649 1.571 -15.897 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 861 12.353 1.405 -16.792 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 861 13.580 1.351 -15.907 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 862 14.521 -1.087 -18.545 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 862 14.640 -0.512 -17.788 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 862 15.176 -1.775 -18.430 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 863 6.128 10.498 -15.764 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 863 6.668 10.281 -15.005 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 863 5.647 9.693 -15.954 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 864 12.690 4.279 -15.377 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 864 12.362 4.550 -16.235 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 864 12.842 3.337 -15.465 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 865 10.814 0.518 -18.017 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 865 10.196 1.193 -17.735 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 865 11.158 0.839 -18.849 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 866 11.566 -3.757 -19.441 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 866 12.102 -3.307 -20.093 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 866 10.714 -3.865 -19.863 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 867 13.148 1.682 -19.201 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 867 13.899 1.526 -19.774 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 867 12.809 2.534 -19.477 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 868 12.372 -6.301 -19.009 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 868 12.274 -5.354 -19.115 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 868 11.629 -6.673 -19.485 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 869 13.636 -1.980 -15.446 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 869 13.400 -2.200 -14.544 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 869 12.853 -2.187 -15.955 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 870 16.352 -2.852 -16.370 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 870 15.404 -2.820 -16.238 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 870 16.664 -3.477 -15.716 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 871 12.594 -7.008 -16.338 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 871 13.306 -7.647 -16.352 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 871 12.493 -6.740 -17.252 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 872 12.947 -5.325 -14.284 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 872 12.816 -5.800 -15.105 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 872 12.348 -4.581 -14.340 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 873 5.661 2.744 -22.292 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 873 5.845 2.662 -23.227 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 873 6.510 2.619 -21.868 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 874 6.480 -3.674 -23.261 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 874 6.925 -4.466 -22.958 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 874 6.946 -2.958 -22.829 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 875 4.784 -0.675 -22.191 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 875 5.276 -0.895 -22.981 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 875 5.146 0.167 -21.910 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 876 5.061 -5.678 -19.792 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 876 4.396 -5.925 -19.149 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 876 4.618 -5.056 -20.369 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 877 7.253 7.496 -15.648 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 877 6.432 7.671 -16.108 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 877 7.001 7.424 -14.727 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 878 16.616 2.985 -7.147 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 878 16.705 3.929 -7.279 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 878 15.977 2.710 -7.805 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 879 19.255 5.178 -5.426 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 879 18.814 4.458 -4.976 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 879 19.242 5.899 -4.796 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 880 17.079 -0.933 -2.994 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 880 17.222 -1.881 -2.974 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 880 16.973 -0.727 -3.923 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 881 17.956 -2.701 -7.321 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 881 18.602 -3.030 -6.696 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 881 18.466 -2.183 -7.944 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 882 16.413 5.585 -8.104 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 882 16.117 5.264 -8.956 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 882 16.089 6.486 -8.062 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 883 13.070 -6.608 -4.196 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 883 12.953 -7.557 -4.249 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 883 12.215 -6.276 -3.922 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 884 20.864 5.267 0.533 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 884 21.004 4.675 -0.206 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 884 21.032 6.139 0.177 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 885 15.337 2.228 -9.695 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 885 14.625 2.764 -10.046 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 885 16.028 2.284 -10.355 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 886 15.391 0.687 -12.656 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 886 16.092 0.709 -12.005 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 886 15.693 0.058 -13.312 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 887 18.743 2.438 -8.744 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 887 18.011 2.667 -8.171 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 887 19.190 1.724 -8.288 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 888 18.640 0.613 0.325 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 888 18.720 1.376 0.897 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 888 18.039 0.891 -0.366 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 889 17.064 7.341 -2.493 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 889 16.823 8.002 -1.845 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 889 16.866 6.507 -2.068 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 890 15.340 8.338 -7.623 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 890 15.814 8.633 -6.845 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 890 14.777 9.075 -7.856 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 891 23.419 7.947 2.110 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 891 23.370 6.992 2.073 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 891 22.593 8.216 2.512 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 892 8.466 10.082 -7.428 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 892 8.618 9.735 -6.548 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 892 7.615 9.726 -7.682 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 893 20.571 -0.559 2.590 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 893 20.164 -0.079 1.870 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 893 20.612 -1.465 2.283 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 894 15.002 -5.983 -0.043 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 894 15.422 -6.399 0.710 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 894 14.069 -6.162 0.074 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 895 18.328 -2.227 0.811 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 895 17.814 -2.353 1.607 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 895 18.173 -1.316 0.566 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 896 14.664 -3.490 -12.758 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 896 14.410 -3.472 -11.835 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 896 14.407 -4.363 -13.059 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 897 15.963 -0.103 -8.593 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 897 15.554 0.713 -8.886 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 897 16.683 -0.242 -9.209 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 898 15.065 0.073 2.895 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 898 14.502 -0.631 3.215 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 898 15.891 -0.047 3.362 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 899 16.967 -0.656 -5.779 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 899 16.772 -0.051 -6.494 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 899 17.149 -1.490 -6.214 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 900 16.231 0.982 -1.108 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 900 16.555 0.351 -1.751 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 900 15.791 0.447 -0.447 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 901 17.414 -3.857 -3.060 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 901 16.737 -3.725 -2.396 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 901 16.928 -4.011 -3.870 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 902 20.701 11.816 3.216 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 902 20.901 12.240 2.381 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 902 21.357 12.159 3.824 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 903 12.955 -1.916 -2.023 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 903 12.120 -1.462 -1.913 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 903 13.479 -1.639 -1.271 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 904 13.499 4.298 -10.338 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 904 12.755 3.790 -10.662 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 904 13.365 4.346 -9.393 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 905 17.397 -2.889 -12.139 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 905 16.459 -2.776 -12.290 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 905 17.694 -2.031 -11.834 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 906 15.019 4.482 0.899 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 906 14.673 4.101 1.705 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 906 14.819 5.415 0.970 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 907 15.625 5.756 -11.313 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 907 15.330 6.582 -10.931 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 907 14.922 5.136 -11.117 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 908 17.269 6.944 0.849 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 908 16.368 7.127 0.581 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 908 17.303 7.203 1.770 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 909 22.964 4.989 2.053 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 909 22.112 5.226 1.686 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 909 23.554 4.972 1.300 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 910 18.456 2.783 -3.297 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 910 17.528 2.550 -3.324 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 910 18.907 2.006 -3.627 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 911 10.999 7.111 -7.165 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 911 11.526 7.883 -7.365 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 911 10.119 7.335 -7.466 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 912 11.110 9.796 -8.043 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 912 10.160 9.900 -7.992 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 912 11.461 10.616 -7.698 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 913 16.485 5.021 -1.572 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 913 16.059 4.795 -0.746 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 913 17.066 4.284 -1.755 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 914 11.716 6.633 -11.595 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 914 11.863 6.113 -10.805 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 914 11.713 7.540 -11.290 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 915 16.001 -3.453 -0.806 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 915 16.699 -3.379 -0.156 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 915 15.620 -4.316 -0.651 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 916 16.785 -3.800 -9.709 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 916 17.005 -3.328 -10.512 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 916 17.343 -3.405 -9.038 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 917 13.985 -2.073 -8.874 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 917 14.797 -1.568 -8.829 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 917 13.740 -2.217 -7.960 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 918 14.521 -1.087 0.311 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 918 14.640 -0.512 1.068 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 918 15.176 -1.775 0.426 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 919 14.869 -4.992 -7.936 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 919 14.522 -4.373 -7.291 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 919 15.527 -4.490 -8.418 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 920 20.725 -3.179 1.146 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 920 19.809 -2.916 1.058 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 920 21.061 -3.182 0.248 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 921 19.327 0.572 -4.758 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 921 18.530 0.156 -5.087 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 921 19.772 -0.119 -4.268 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 922 8.785 6.499 -12.188 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 922 9.377 7.198 -11.912 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 922 9.244 6.066 -12.907 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 923 17.302 7.797 3.441 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 923 16.951 6.941 3.683 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 923 18.028 7.941 4.048 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 924 10.376 4.652 -13.822 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 924 10.440 3.859 -13.291 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 924 11.029 4.534 -14.511 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 925 12.690 4.279 3.478 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 925 12.362 4.550 2.621 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 925 12.842 3.337 3.391 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 926 18.425 4.194 0.862 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 926 19.170 4.783 0.742 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 926 17.668 4.777 0.925 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 927 11.525 2.625 -11.517 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 927 11.066 2.141 -10.831 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 927 11.780 1.957 -12.152 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 928 12.596 0.868 -13.253 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 928 12.416 0.714 -14.181 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 928 13.547 0.976 -13.209 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 929 18.880 2.285 2.761 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 929 18.599 2.994 2.183 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 929 19.823 2.212 2.610 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 930 16.352 -2.852 2.486 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 930 15.404 -2.820 2.618 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 930 16.664 -3.477 3.139 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 931 17.986 -4.219 4.490 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 931 17.889 -5.171 4.484 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 931 17.664 -3.950 5.352 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 932 21.144 5.835 4.653 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 932 20.278 5.729 5.047 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 932 21.520 6.594 5.099 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 933 21.482 2.635 2.193 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 933 22.065 1.901 2.384 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 933 22.046 3.407 2.239 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 934 22.979 0.538 2.877 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 934 22.116 0.159 2.712 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 934 23.583 -0.200 2.803 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 935 22.780 -4.345 2.931 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 935 21.863 -4.073 2.895 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 935 22.903 -4.880 2.147 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 936 14.518 9.870 2.426 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 936 14.703 9.537 3.304 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 936 15.365 10.180 2.104 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 937 16.863 11.155 1.670 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 937 17.540 10.524 1.429 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 937 17.185 11.558 2.478 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 938 14.787 11.216 -2.280 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 938 14.330 11.745 -2.934 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 938 14.950 11.819 -1.555 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 939 17.114 10.094 -1.335 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 939 16.210 10.258 -1.601 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 939 17.543 10.947 -1.401 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 940 11.702 9.530 -4.072 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 940 11.915 8.643 -4.359 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 940 11.767 9.496 -3.117 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 941 15.211 -4.806 -4.927 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 941 14.536 -5.434 -4.672 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 941 15.775 -5.290 -5.530 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 942 12.117 -6.244 -7.292 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 942 12.991 -5.856 -7.322 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 942 11.981 -6.460 -6.369 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 943 6.275 9.575 -10.404 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 943 5.590 9.537 -11.072 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 943 6.278 10.488 -10.116 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 944 13.261 -4.165 -10.402 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 944 13.439 -4.810 -9.720 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 944 13.207 -3.331 -9.935 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 945 8.093 10.495 -13.380 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 945 7.825 10.782 -12.506 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 945 8.864 9.948 -13.227 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 946 17.890 -6.974 4.130 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 946 17.966 -7.400 4.984 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 946 18.783 -6.960 3.788 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 947 21.066 9.098 2.823 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 947 20.284 8.912 2.303 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 947 20.994 10.027 3.040 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 948 7.917 1.855 16.721 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 948 7.959 1.229 17.444 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 948 8.620 2.478 16.902 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 949 17.079 -0.933 15.861 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 949 17.222 -1.881 15.881 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 949 16.973 -0.727 14.932 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 950 10.234 -2.833 13.133 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 950 10.277 -1.972 12.715 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 950 9.776 -3.384 12.500 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 951 17.956 -2.701 11.534 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 951 18.602 -3.030 12.159 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 951 18.466 -2.183 10.912 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 952 6.854 -0.435 13.896 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 952 7.508 -0.986 14.327 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 952 6.878 -0.709 12.979 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 953 12.010 1.115 13.111 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 953 12.626 0.589 13.620 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 953 11.424 0.475 12.707 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 954 9.044 -3.914 17.207 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 954 8.825 -3.384 16.441 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 954 8.376 -3.687 17.855 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 955 19.720 -3.411 13.515 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 955 19.505 -4.177 14.047 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 955 20.376 -2.938 14.028 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 956 8.638 -2.022 15.160 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 956 9.251 -1.389 15.534 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 956 9.150 -2.494 14.503 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 957 19.767 7.018 15.777 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 957 18.825 7.076 15.938 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 957 20.043 7.925 15.640 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 958 20.864 5.267 19.389 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 958 21.004 4.675 18.649 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 958 21.032 6.139 19.032 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 959 22.706 1.607 17.454 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 959 22.054 2.301 17.543 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 959 23.171 1.817 16.645 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 960 18.640 0.613 19.180 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 960 18.720 1.376 19.752 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 960 18.039 0.891 18.489 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 961 11.635 6.236 20.346 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 961 11.323 7.018 20.801 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 961 10.985 6.083 19.660 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 962 8.555 2.434 19.575 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 962 8.625 3.086 20.273 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 962 7.664 2.538 19.239 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 963 9.874 8.309 21.110 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 963 9.882 8.172 20.162 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 963 8.958 8.191 21.361 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 964 21.312 -6.649 7.610 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 964 20.413 -6.510 7.905 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 964 21.564 -5.819 7.208 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 965 9.378 2.139 9.584 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 965 9.086 2.907 9.093 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 965 8.704 1.478 9.421 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 966 22.502 7.716 5.987 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 966 22.575 8.655 6.157 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 966 23.407 7.412 5.930 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 967 5.471 4.502 18.399 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 967 4.970 4.473 17.584 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 967 5.477 3.596 18.709 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 968 14.398 7.521 19.841 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 968 14.485 8.348 20.316 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 968 13.534 7.191 20.090 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 969 17.914 10.447 6.650 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 969 18.289 9.704 6.179 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 969 17.918 10.178 7.568 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 970 7.720 5.825 19.442 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 970 7.937 5.463 20.302 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 970 6.865 5.450 19.232 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 971 10.339 -5.705 15.438 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 971 9.478 -5.792 15.030 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 971 10.317 -4.850 15.865 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 972 14.664 -3.490 6.098 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 972 14.410 -3.472 7.020 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 972 14.407 -4.363 5.796 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 973 10.430 -0.740 16.534 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 973 9.788 -0.780 17.242 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 973 10.467 0.187 16.296 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 974 10.427 -0.518 11.445 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 974 9.534 -0.860 11.386 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 974 10.878 -0.895 10.689 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 975 8.180 -0.419 18.401 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 975 8.142 -0.019 19.268 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 975 7.689 -1.236 18.490 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 976 16.231 0.982 17.747 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 976 16.555 0.351 17.104 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 976 15.791 0.447 18.409 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 977 13.009 -3.092 12.531 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 977 12.098 -3.034 12.820 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 977 13.514 -3.151 13.342 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 978 17.414 -3.857 15.795 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 978 16.737 -3.725 16.459 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 978 16.928 -4.011 14.986 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 979 8.299 4.290 21.680 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 979 9.032 4.543 22.241 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 979 7.519 4.494 22.195 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 980 14.329 -0.304 14.418 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 980 14.893 -0.850 13.871 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 980 14.181 -0.825 15.207 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 981 12.955 -1.916 16.832 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 981 12.120 -1.462 16.942 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 981 13.479 -1.639 17.584 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 982 20.649 3.431 17.303 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 982 21.291 3.888 16.761 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 982 19.819 3.543 16.841 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 983 15.019 4.482 19.755 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 983 14.673 4.101 20.560 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 983 14.819 5.415 19.825 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 984 5.632 2.054 19.602 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 984 5.855 1.635 20.433 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 984 5.030 1.441 19.179 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 985 12.649 1.571 21.814 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 985 12.353 1.405 20.919 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 985 13.580 1.351 21.804 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 986 17.269 6.944 19.704 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 986 16.368 7.127 19.436 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 986 17.303 7.203 20.625 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 987 23.000 -0.812 8.072 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 987 22.446 -1.208 7.399 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 987 23.101 0.099 7.794 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 988 16.485 5.021 17.284 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 988 16.059 4.795 18.110 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 988 17.066 4.284 17.101 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 989 19.144 9.573 19.752 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 989 18.542 9.018 19.258 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 989 19.425 10.241 19.127 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 990 23.192 10.431 6.558 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 990 23.935 11.017 6.418 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 990 22.497 10.998 6.891 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 991 7.266 -3.193 19.160 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 991 6.373 -2.855 19.093 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 991 7.167 -4.049 19.578 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 992 14.521 -1.087 19.166 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 992 14.640 -0.512 19.924 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 992 15.176 -1.775 19.282 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 993 14.869 -4.992 10.919 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 993 14.522 -4.373 11.564 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 993 15.527 -4.490 10.438 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 994 11.792 9.373 7.991 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 994 11.953 10.174 7.490 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 994 11.595 9.681 8.877 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 995 20.414 9.828 15.720 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 995 20.258 10.506 15.062 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 995 21.346 9.899 15.922 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 996 7.909 -6.054 14.457 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 996 7.680 -5.995 13.529 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 996 7.466 -6.846 14.763 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 997 6.128 10.498 21.947 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 997 6.668 10.281 22.706 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 997 5.647 9.693 21.758 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 998 10.725 9.418 23.567 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 998 11.493 8.959 23.909 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 998 10.704 9.191 22.637 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 999 14.817 8.925 4.942 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 999 14.173 8.294 5.264 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 999 15.579 8.395 4.710 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1000 19.421 8.742 5.176 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 1000 19.704 7.948 5.630 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 1000 20.161 8.976 4.615 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1001 6.035 4.309 22.901 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 1001 6.179 3.407 22.615 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 1001 5.262 4.595 22.413 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1002 10.376 4.652 5.034 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 1002 10.440 3.859 5.564 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 1002 11.029 4.534 4.345 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1003 12.690 4.279 22.334 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 1003 12.362 4.550 21.477 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 1003 12.842 3.337 22.246 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1004 18.425 4.194 19.718 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 1004 19.170 4.783 19.598 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 1004 17.668 4.777 19.780 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1005 6.867 1.509 22.322 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 1005 7.275 0.651 22.200 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 1005 6.607 1.524 23.242 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1006 10.814 0.518 19.695 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 1006 10.196 1.193 19.977 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 1006 11.158 0.839 18.862 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1007 21.986 3.223 5.047 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 1007 21.713 2.797 4.234 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 1007 22.026 4.154 4.830 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1008 13.148 1.682 18.511 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 1008 13.899 1.526 17.938 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 1008 12.809 2.534 18.235 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1009 12.494 11.559 6.603 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 1009 13.427 11.716 6.747 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 1009 12.230 12.234 5.978 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1010 23.130 10.478 15.948 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 1010 23.108 10.662 16.887 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 1010 23.820 11.046 15.607 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1011 22.693 10.044 18.870 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 1011 22.206 9.309 18.499 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 1011 23.242 9.652 19.549 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1012 22.598 4.929 15.794 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 1012 23.432 4.551 15.513 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 1012 22.710 5.873 15.675 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1013 21.085 7.807 18.101 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 1013 20.437 8.133 18.727 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 1013 20.567 7.367 17.427 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1014 23.107 2.046 7.237 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 1014 22.586 2.402 6.518 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 1014 23.074 2.720 7.915 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1015 21.456 -0.715 5.788 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 1015 21.553 -0.047 5.108 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 1015 21.316 -1.530 5.306 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1016 20.626 0.665 11.409 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 1016 20.476 -0.280 11.389 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 1016 20.272 0.947 12.253 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1017 20.704 -3.307 4.905 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 1017 21.314 -3.679 5.542 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 1017 19.867 -3.728 5.101 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1018 20.948 -1.171 15.307 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 1018 21.881 -0.958 15.273 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 1018 20.713 -1.068 16.230 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1019 20.977 -0.433 18.084 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 1019 20.134 -0.165 18.450 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 1019 21.420 0.389 17.872 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1020 5.259 -1.985 21.560 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 1020 6.178 -2.108 21.796 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 1020 4.809 -2.735 21.950 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1021 20.950 -4.489 9.921 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 1021 21.132 -4.938 10.745 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 1021 20.350 -5.073 9.456 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1022 6.480 -3.674 14.451 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 1022 6.925 -4.466 14.753 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 1022 6.946 -2.958 14.882 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1023 22.816 -4.421 6.448 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 1023 23.229 -5.143 5.973 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 1023 23.498 -3.751 6.506 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1024 5.061 -5.678 17.919 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 1024 4.396 -5.925 18.562 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 1024 4.618 -5.056 17.343 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1025 7.253 7.496 22.063 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 1025 6.432 7.671 21.604 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 1025 7.001 7.424 22.984 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1026 14.518 9.870 21.282 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 1026 14.703 9.537 22.160 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 1026 15.365 10.180 20.959 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1027 16.863 11.155 20.526 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 1027 17.540 10.524 20.285 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 1027 17.185 11.558 21.334 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1028 17.114 10.094 17.520 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 1028 16.210 10.258 17.255 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 1028 17.543 10.947 17.454 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1029 19.719 11.664 17.816 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 1029 19.537 12.580 17.604 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 1029 19.895 11.254 16.968 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1030 15.211 -4.806 13.928 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 1030 14.536 -5.434 14.183 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 1030 15.775 -5.290 13.325 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1031 12.117 -6.244 11.563 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 1031 12.991 -5.856 11.534 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 1031 11.981 -6.460 12.486 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1032 17.674 -6.214 13.212 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 1032 17.750 -6.119 12.263 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 1032 17.398 -7.122 13.341 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1033 19.027 -6.188 8.905 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 1033 18.324 -5.575 8.695 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 1033 18.582 -7.026 9.037 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1034 15.139 10.785 6.848 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 1034 16.005 11.151 6.670 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 1034 14.892 10.345 6.035 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1035 6.754 1.973 25.134 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 1035 7.370 2.599 25.514 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 1035 5.892 2.288 25.405 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1036 12.779 7.062 23.660 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 1036 13.018 6.315 23.112 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 1036 12.510 6.675 24.492 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1037 6.062 6.194 24.942 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 1037 6.976 6.274 25.215 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 1037 6.069 5.508 24.276 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1038 8.093 10.495 24.332 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 1038 7.825 10.782 25.206 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 1038 8.864 9.948 24.484 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1039 10.234 16.023 -5.723 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1039 10.277 16.883 -6.140 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1039 9.776 15.471 -6.355 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1040 9.044 14.941 -1.648 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1040 8.825 15.471 -2.414 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1040 8.376 15.168 -1.000 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1041 8.638 16.834 -3.695 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1041 9.251 17.466 -3.322 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1041 9.150 16.361 -4.353 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1042 13.070 12.247 -4.196 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1042 12.953 11.298 -4.249 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1042 12.215 12.579 -3.922 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1043 10.339 13.150 -3.417 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1043 9.478 13.063 -3.825 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1043 10.317 14.006 -2.990 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1044 15.002 12.872 -0.043 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1044 15.422 12.457 0.710 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1044 14.069 12.694 0.074 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1045 4.788 15.552 -6.605 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1045 5.419 15.523 -5.885 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1045 5.238 15.127 -7.335 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1046 9.331 14.688 -8.020 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1046 9.014 13.786 -8.054 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1046 10.112 14.690 -8.572 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1047 7.266 15.662 0.304 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1047 6.373 16.002 0.237 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1047 7.167 14.807 0.722 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1048 11.154 16.728 1.923 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1048 11.304 15.999 1.320 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1048 11.156 17.505 1.364 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1049 11.566 15.098 -0.585 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1049 12.102 15.549 -1.237 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1049 10.714 14.990 -1.007 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1050 9.632 17.926 3.833 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1050 8.865 17.394 3.624 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1050 10.311 17.616 3.235 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1051 12.372 12.554 -0.153 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1051 12.274 13.501 -0.260 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1051 11.629 12.182 -0.629 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1052 7.813 15.847 3.538 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1052 8.024 15.140 2.928 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1052 7.701 15.409 4.383 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1053 12.594 11.848 2.518 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1053 13.306 11.208 2.504 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1053 12.493 12.115 1.604 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1054 12.947 13.531 4.572 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1054 12.816 13.055 3.750 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1054 12.348 14.275 4.516 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1055 5.259 16.870 2.705 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1055 6.178 16.748 2.941 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1055 4.809 16.120 3.094 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1056 23.260 12.402 4.582 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1056 23.610 11.748 3.976 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1056 23.407 13.239 4.141 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1057 6.480 15.182 -4.404 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1057 6.925 14.390 -4.103 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1057 6.946 15.898 -3.973 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1058 4.784 18.181 -3.335 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1058 5.276 17.960 -4.125 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1058 5.146 19.022 -3.054 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1059 5.097 14.439 -9.280 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1059 4.172 14.648 -9.410 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1059 5.551 14.923 -9.970 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1060 7.537 12.684 -7.105 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1060 6.760 12.450 -7.614 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1060 8.068 11.887 -7.098 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1061 6.374 12.482 -11.302 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1061 6.813 13.093 -11.893 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1061 5.740 13.020 -10.829 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1062 12.117 12.611 -7.292 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1062 12.991 12.999 -7.322 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1062 11.981 12.396 -6.369 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1063 7.495 13.198 2.412 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1063 7.129 12.433 2.855 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1063 8.408 13.227 2.699 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1064 9.468 12.549 3.948 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1064 10.367 12.275 3.763 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1064 9.082 11.806 4.412 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1065 17.890 11.881 4.130 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1065 17.966 11.455 4.984 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1065 18.783 11.895 3.788 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1066 7.917 20.710 16.721 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1066 7.959 20.084 17.444 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1066 8.620 21.333 16.902 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1067 5.451 18.820 10.648 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1067 5.003 19.666 10.630 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1067 4.890 18.240 10.133 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1068 6.161 20.982 12.774 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1068 6.375 20.212 13.301 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1068 6.899 21.072 12.171 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1069 17.079 17.922 15.861 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1069 17.222 16.975 15.881 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1069 16.973 18.130 14.932 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1070 17.956 16.154 11.534 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1070 18.602 15.825 12.159 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1070 18.466 16.672 10.912 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1071 6.854 18.420 13.896 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1071 7.508 17.870 14.327 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1071 6.878 18.146 12.979 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1072 12.010 19.970 13.111 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1072 12.626 19.444 13.620 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1072 11.424 19.330 12.707 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1073 19.720 15.445 13.515 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1073 19.505 14.679 14.047 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1073 20.376 15.917 14.028 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1074 8.638 16.834 15.160 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1074 9.251 17.466 15.534 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1074 9.150 16.361 14.503 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1075 20.067 14.160 17.194 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1075 19.331 14.771 17.157 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1075 20.751 14.575 16.668 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1076 10.755 20.694 15.628 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1076 11.320 20.814 14.865 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1076 11.074 21.330 16.267 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1077 21.312 12.206 7.610 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1077 20.413 12.345 7.905 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1077 21.564 13.037 7.208 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1078 9.378 20.994 9.584 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1078 9.086 21.762 9.093 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1078 8.704 20.334 9.421 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1079 15.002 12.872 18.812 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1079 15.422 12.457 19.566 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1079 14.069 12.694 18.929 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1080 18.328 16.628 19.666 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1080 17.814 16.502 20.463 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1080 18.173 17.540 19.421 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1081 10.430 18.116 16.534 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1081 9.788 18.075 17.242 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1081 10.467 19.042 16.296 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1082 10.427 18.337 11.445 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1082 9.534 17.996 11.386 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1082 10.878 17.960 10.689 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1083 16.967 18.200 13.076 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1083 16.772 18.804 12.361 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1083 17.149 17.365 12.641 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1084 8.180 18.436 18.401 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1084 8.142 18.836 19.268 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1084 7.689 17.619 18.490 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1085 11.546 15.810 5.198 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1085 11.115 15.365 5.928 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1085 10.828 16.182 4.686 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1086 16.231 19.837 17.747 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1086 16.555 19.206 17.104 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1086 15.791 19.302 18.409 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1087 7.837 17.393 11.358 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1087 6.948 17.493 11.018 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1087 8.133 16.551 11.012 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1088 11.490 17.393 9.014 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1088 12.422 17.522 9.192 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1088 11.275 18.063 8.365 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1089 17.414 14.999 15.795 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1089 16.737 15.130 16.459 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1089 16.928 14.844 14.986 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1090 10.164 18.588 6.581 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1090 9.622 18.208 5.890 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1090 10.998 18.782 6.152 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1091 14.329 18.552 14.418 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1091 14.893 18.005 13.871 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1091 14.181 18.030 15.207 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1092 9.331 14.688 10.836 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1092 9.014 13.786 10.801 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1092 10.112 14.690 10.284 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1093 6.754 20.828 6.278 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1093 7.370 21.455 6.657 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1093 5.892 21.144 6.549 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1094 7.266 15.662 19.160 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1094 6.373 16.002 19.093 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1094 7.167 14.807 19.578 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1095 16.001 15.403 18.049 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1095 16.699 15.477 18.700 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1095 15.620 14.539 18.204 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1096 16.785 15.055 9.146 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1096 17.005 15.527 8.343 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1096 17.343 15.450 9.817 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1097 13.985 16.783 9.982 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1097 14.797 17.287 10.027 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1097 13.740 16.639 10.895 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1098 14.521 17.769 19.166 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1098 14.640 18.343 19.924 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1098 15.176 17.081 19.282 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1099 14.869 13.864 10.919 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1099 14.522 14.482 11.564 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1099 15.527 14.365 10.438 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1100 10.526 14.927 7.607 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1100 10.443 15.816 7.953 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1100 11.416 14.662 7.838 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1101 7.101 18.019 5.784 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1101 7.056 18.958 5.962 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1101 6.213 17.784 5.513 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1102 10.814 19.373 19.695 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1102 10.196 20.048 19.977 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1102 11.158 19.694 18.862 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1103 11.154 16.728 20.779 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1103 11.304 15.999 20.175 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1103 11.156 17.505 20.220 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1104 13.148 20.537 18.511 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1104 13.899 20.381 17.938 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1104 12.809 21.389 18.235 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1105 13.636 16.877 22.265 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1105 13.400 16.656 23.167 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1105 12.853 16.669 21.756 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1106 16.352 16.003 21.341 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1106 15.404 16.035 21.474 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1106 16.664 15.378 21.995 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1107 7.813 15.847 22.395 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1107 8.024 15.140 21.784 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1107 7.701 15.409 23.239 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1108 12.594 11.848 21.373 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1108 13.306 11.208 21.360 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1108 12.493 12.115 20.459 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1109 12.947 13.531 23.428 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1109 12.816 13.055 22.606 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1109 12.348 14.275 23.371 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1110 5.259 16.870 21.560 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1110 6.178 16.748 21.796 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1110 4.809 16.120 21.950 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1111 20.950 14.367 9.921 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1111 21.132 13.918 10.745 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1111 20.350 13.782 9.456 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1112 6.480 15.182 14.451 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1112 6.925 14.390 14.753 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1112 6.946 15.898 14.882 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1113 4.784 18.181 15.520 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1113 5.276 17.960 14.730 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1113 5.146 19.022 15.801 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1114 20.353 12.157 14.040 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1114 20.957 12.705 13.539 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1114 19.484 12.477 13.800 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1115 22.080 13.296 12.374 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1115 22.692 12.782 11.848 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1115 22.463 14.174 12.397 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1116 17.674 12.641 13.212 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1116 17.750 12.736 12.263 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1116 17.398 11.733 13.341 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1117 19.027 12.667 8.905 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1117 18.324 13.281 8.695 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1117 18.582 11.829 9.037 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1118 8.235 14.398 5.996 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1118 8.726 13.768 5.468 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1118 8.858 14.694 6.659 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1119 13.261 14.691 8.453 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1119 13.439 14.045 9.136 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1119 13.207 15.525 8.921 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1120 7.495 13.198 21.267 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1120 7.129 12.433 21.710 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1120 8.408 13.227 21.554 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1121 9.468 12.549 22.803 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1121 10.367 12.275 22.618 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1121 9.082 11.806 23.267 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1122 24.891 4.309 4.045 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1122 25.035 3.407 3.760 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1122 24.118 4.595 3.558 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1123 27.697 6.304 15.255 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1123 27.327 5.502 14.886 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1123 28.638 6.136 15.302 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1124 24.307 -0.035 10.648 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1124 23.859 0.810 10.630 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1124 23.746 -0.615 10.133 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1125 25.017 2.127 12.774 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1125 25.231 1.357 13.301 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1125 25.755 2.216 12.171 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1126 25.710 -0.435 13.896 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1126 26.364 -0.986 14.327 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1126 25.734 -0.709 12.979 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1127 24.998 5.396 9.064 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1127 24.726 5.626 8.175 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1127 25.043 6.235 9.524 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1128 24.327 4.502 18.399 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1128 23.826 4.473 17.584 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1128 24.333 3.596 18.709 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1129 24.078 7.281 15.284 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1129 25.024 7.137 15.264 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1129 23.965 8.066 15.820 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1130 27.322 10.082 11.428 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1130 27.474 9.735 12.307 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1130 26.471 9.726 11.173 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1131 24.919 -2.557 7.674 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1131 25.393 -1.967 7.089 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1131 24.201 -2.026 8.021 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1132 27.480 3.593 14.287 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1132 28.225 3.591 13.685 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1132 27.558 2.768 14.768 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1133 25.610 1.973 6.278 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1133 26.226 2.599 6.657 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1133 24.748 2.288 6.549 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1134 25.773 8.611 17.595 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1134 25.990 7.680 17.563 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1134 26.020 8.886 18.479 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1135 27.025 3.886 7.770 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1135 26.339 4.237 8.337 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1135 27.548 4.649 7.524 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1136 27.641 6.499 6.667 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1136 28.233 7.198 6.943 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1136 28.100 6.066 5.948 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1137 25.695 7.886 10.617 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1137 24.863 8.358 10.644 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1137 26.241 8.396 10.018 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1138 24.918 6.194 6.086 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1138 25.832 6.274 6.359 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1138 24.925 5.508 5.419 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1139 23.567 11.588 11.163 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1139 22.920 11.126 10.630 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1139 23.922 10.915 11.746 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1140 24.437 9.668 12.968 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1140 24.103 8.787 13.140 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1140 24.659 10.014 13.832 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1141 24.517 2.744 15.419 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1141 24.701 2.662 14.484 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1141 25.366 2.619 15.843 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1142 23.640 -0.675 15.520 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1142 24.132 -0.895 14.730 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1142 24.002 0.167 15.801 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1143 23.953 -4.416 9.575 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1143 23.028 -4.207 9.445 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1143 24.407 -3.932 8.886 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1144 25.880 10.351 15.280 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1144 25.861 9.925 16.137 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1144 26.685 10.033 14.871 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1145 28.021 9.060 13.935 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1145 27.802 8.145 14.104 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1145 28.845 9.200 14.401 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1146 25.131 9.575 8.451 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1146 24.446 9.537 7.783 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1146 25.134 10.488 8.739 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1147 23.953 14.439 9.575 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1147 23.028 14.648 9.445 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1147 24.407 14.923 8.886 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1148 26.393 12.684 11.750 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1148 25.616 12.450 11.242 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1148 26.924 11.887 11.758 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1149 25.230 12.482 7.553 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1149 25.669 13.093 6.962 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1149 24.596 13.020 8.027 0.00 0.00 WAT1 END