REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:30:11 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 2.899 -3.072 -14.359 1.00 22.22 ATOM 2 CB MET 1 4.888 -2.309 -14.633 1.00 70.32 ATOM 3 HB1 MET 1 5.675 -1.965 -13.973 1.00 37.41 ATOM 4 HB2 MET 1 4.784 -1.595 -15.442 1.00 21.24 ATOM 5 CG MET 1 5.310 -3.645 -15.223 1.00 21.22 ATOM 6 HG1 MET 1 4.436 -4.163 -15.598 1.00 37.41 ATOM 7 HG2 MET 1 5.766 -4.235 -14.442 1.00 24.30 ATOM 8 SD MET 1 6.487 -3.466 -16.577 1.00 23.03 ATOM 9 CE MET 1 7.296 -5.063 -16.536 1.00 24.44 ATOM 10 HE1 MET 1 7.764 -5.205 -15.573 1.00 45.51 ATOM 11 HE2 MET 1 8.047 -5.106 -17.311 1.00 74.25 ATOM 12 HE3 MET 1 6.565 -5.841 -16.699 1.00 1.51 ATOM 13 C MET 1 3.802 -2.837 -12.442 1.00 23.10 ATOM 14 O MET 1 4.735 -3.594 -12.175 1.00 52.13 ATOM 15 N MET 1 2.910 -1.063 -13.890 1.00 22.21 ATOM 16 HT1 MET 1 3.422 -0.383 -13.287 1.00 37.41 ATOM 17 HT2 MET 1 1.930 -1.143 -13.554 1.00 37.41 ATOM 18 HT3 MET 1 2.881 -0.683 -14.861 1.00 37.41 ATOM 19 CA MET 1 3.561 -2.368 -13.873 1.00 45.13 ATOM 20 N GLY 2 2.955 -2.382 -11.524 1.00 32.00 ATOM 21 HN GLY 2 2.211 -1.799 -11.769 1.00 37.41 ATOM 22 CA GLY 2 3.093 -2.766 -10.131 1.00 45.23 ATOM 23 HA1 GLY 2 2.881 -1.898 -9.523 1.00 37.41 ATOM 24 HA2 GLY 2 4.111 -3.080 -9.925 1.00 53.52 ATOM 25 C GLY 2 2.130 -3.867 -9.734 1.00 51.45 ATOM 26 O GLY 2 0.918 -3.733 -9.907 1.00 50.02 ATOM 27 N HIS 3 2.669 -4.959 -9.202 1.00 74.24 ATOM 28 HN HIS 3 3.645 -5.012 -9.075 1.00 37.41 ATOM 29 CA HIS 3 1.848 -6.089 -8.781 1.00 13.20 ATOM 30 HA HIS 3 0.834 -5.937 -9.128 1.00 30.01 ATOM 31 CB HIS 3 2.387 -7.389 -9.378 1.00 55.14 ATOM 32 HB1 HIS 3 1.973 -8.236 -8.843 1.00 37.41 ATOM 33 HB2 HIS 3 3.463 -7.405 -9.282 1.00 44.13 ATOM 34 CG HIS 3 2.050 -7.567 -10.827 1.00 21.00 ATOM 35 ND1 HIS 3 0.864 -7.135 -11.383 1.00 23.32 ATOM 36 HD1 HIS 3 0.133 -6.691 -10.908 1.00 44.42 ATOM 37 CD2 HIS 3 2.753 -8.133 -11.836 1.00 50.41 ATOM 38 HD2 HIS 3 3.735 -8.579 -11.762 1.00 32.22 ATOM 39 CE1 HIS 3 0.852 -7.429 -12.671 1.00 34.23 ATOM 40 HE1 HIS 3 0.051 -7.210 -13.361 1.00 55.51 ATOM 41 NE2 HIS 3 1.986 -8.034 -12.971 1.00 64.52 ATOM 42 HE2 HIS 3 2.273 -8.279 -13.875 1.00 37.41 ATOM 43 C HIS 3 1.807 -6.193 -7.259 1.00 51.13 ATOM 44 O HIS 3 2.813 -5.972 -6.584 1.00 61.35 ATOM 45 N HIS 4 0.637 -6.530 -6.725 1.00 41.51 ATOM 46 HN HIS 4 -0.135 -6.707 -7.311 1.00 37.41 ATOM 47 CA HIS 4 0.465 -6.663 -5.283 1.00 3.52 ATOM 48 HA HIS 4 1.347 -6.274 -4.782 1.00 4.53 ATOM 49 CB HIS 4 -0.753 -5.865 -4.817 1.00 50.43 ATOM 50 HB1 HIS 4 -1.114 -6.263 -3.875 1.00 37.41 ATOM 51 HB2 HIS 4 -1.538 -5.946 -5.555 1.00 52.25 ATOM 52 CG HIS 4 -0.471 -4.408 -4.609 1.00 32.54 ATOM 53 ND1 HIS 4 -0.842 -3.726 -3.469 1.00 64.01 ATOM 54 HD1 HIS 4 -1.315 -4.109 -2.701 1.00 53.32 ATOM 55 CD2 HIS 4 0.151 -3.505 -5.401 1.00 55.43 ATOM 56 HD2 HIS 4 0.575 -3.693 -6.377 1.00 72.54 ATOM 57 CE1 HIS 4 -0.461 -2.465 -3.571 1.00 14.03 ATOM 58 HE1 HIS 4 -0.616 -1.696 -2.829 1.00 43.33 ATOM 59 NE2 HIS 4 0.143 -2.305 -4.734 1.00 5.52 ATOM 60 HE2 HIS 4 0.602 -1.489 -5.025 1.00 37.41 ATOM 61 C HIS 4 0.310 -8.128 -4.887 1.00 40.21 ATOM 62 O HIS 4 -0.168 -8.947 -5.673 1.00 45.42 ATOM 63 N HIS 5 0.717 -8.452 -3.664 1.00 1.12 ATOM 64 HN HIS 5 1.053 -7.751 -3.067 1.00 37.41 ATOM 65 CA HIS 5 0.623 -9.819 -3.164 1.00 3.11 ATOM 66 HA HIS 5 0.131 -10.441 -3.902 1.00 10.05 ATOM 67 CB HIS 5 2.019 -10.388 -2.910 1.00 23.34 ATOM 68 HB1 HIS 5 2.569 -10.390 -3.840 1.00 37.41 ATOM 69 HB2 HIS 5 1.934 -11.404 -2.549 1.00 73.13 ATOM 70 CG HIS 5 2.813 -9.605 -1.910 1.00 14.14 ATOM 71 ND1 HIS 5 3.173 -10.105 -0.676 1.00 61.43 ATOM 72 HD1 HIS 5 2.954 -10.997 -0.334 1.00 40.22 ATOM 73 CD2 HIS 5 3.317 -8.350 -1.967 1.00 30.12 ATOM 74 HD2 HIS 5 3.232 -7.662 -2.796 1.00 64.13 ATOM 75 CE1 HIS 5 3.863 -9.192 -0.017 1.00 43.35 ATOM 76 HE1 HIS 5 4.275 -9.305 0.975 1.00 11.44 ATOM 77 NE2 HIS 5 3.965 -8.117 -0.779 1.00 22.22 ATOM 78 HE2 HIS 5 4.347 -7.259 -0.498 1.00 37.41 ATOM 79 C HIS 5 -0.202 -9.873 -1.882 1.00 75.21 ATOM 80 O HIS 5 0.024 -10.724 -1.021 1.00 41.10 ATOM 81 N HIS 6 -1.160 -8.959 -1.762 1.00 34.42 ATOM 82 HN HIS 6 -1.311 -8.302 -2.479 1.00 37.41 ATOM 83 CA HIS 6 -2.020 -8.903 -0.585 1.00 21.33 ATOM 84 HA HIS 6 -1.896 -9.817 -0.011 1.00 20.33 ATOM 85 CB HIS 6 -1.635 -7.716 0.298 1.00 3.20 ATOM 86 HB1 HIS 6 -2.458 -7.469 0.959 1.00 37.41 ATOM 87 HB2 HIS 6 -1.419 -6.861 -0.327 1.00 42.12 ATOM 88 CG HIS 6 -0.435 -7.973 1.158 1.00 54.44 ATOM 89 ND1 HIS 6 0.688 -7.173 1.141 1.00 53.31 ATOM 90 HD1 HIS 6 0.817 -6.378 0.582 1.00 3.40 ATOM 91 CD2 HIS 6 -0.188 -8.947 2.065 1.00 54.45 ATOM 92 HD2 HIS 6 -0.855 -9.753 2.338 1.00 45.01 ATOM 93 CE1 HIS 6 1.574 -7.645 1.999 1.00 4.41 ATOM 94 HE1 HIS 6 2.547 -7.222 2.199 1.00 1.24 ATOM 95 NE2 HIS 6 1.067 -8.721 2.573 1.00 0.51 ATOM 96 HE2 HIS 6 1.552 -9.319 3.180 1.00 37.41 ATOM 97 C HIS 6 -3.487 -8.797 -0.988 1.00 75.51 ATOM 98 O HIS 6 -3.964 -7.724 -1.360 1.00 20.52 ATOM 99 N HIS 7 -4.199 -9.918 -0.913 1.00 52.31 ATOM 100 HN HIS 7 -3.772 -10.749 -0.600 1.00 37.41 ATOM 101 CA HIS 7 -5.613 -9.951 -1.271 1.00 1.32 ATOM 102 HA HIS 7 -5.874 -9.022 -1.767 1.00 41.02 ATOM 103 CB HIS 7 -5.890 -11.105 -2.235 1.00 0.33 ATOM 104 HB1 HIS 7 -6.955 -11.175 -2.417 1.00 37.41 ATOM 105 HB2 HIS 7 -5.546 -12.026 -1.790 1.00 15.33 ATOM 106 CG HIS 7 -5.213 -10.952 -3.562 1.00 30.20 ATOM 107 ND1 HIS 7 -5.012 -9.730 -4.168 1.00 64.11 ATOM 108 HD1 HIS 7 -5.285 -8.860 -3.811 1.00 43.20 ATOM 109 CD2 HIS 7 -4.688 -11.877 -4.400 1.00 14.04 ATOM 110 HD2 HIS 7 -4.668 -12.946 -4.243 1.00 4.44 ATOM 111 CE1 HIS 7 -4.394 -9.910 -5.322 1.00 1.11 ATOM 112 HE1 HIS 7 -4.106 -9.131 -6.013 1.00 31.05 ATOM 113 NE2 HIS 7 -4.186 -11.204 -5.486 1.00 2.10 ATOM 114 HE2 HIS 7 -3.664 -11.605 -6.212 1.00 37.41 ATOM 115 C HIS 7 -6.485 -10.091 -0.027 1.00 1.23 ATOM 116 O HIS 7 -6.186 -10.883 0.867 1.00 30.05 ATOM 117 N HIS 8 -7.564 -9.316 0.024 1.00 21.02 ATOM 118 HN HIS 8 -7.757 -8.706 -0.728 1.00 37.41 ATOM 119 CA HIS 8 -8.479 -9.354 1.159 1.00 14.11 ATOM 120 HA HIS 8 -7.890 -9.266 2.066 1.00 12.41 ATOM 121 CB HIS 8 -9.463 -8.185 1.087 1.00 22.33 ATOM 122 HB1 HIS 8 -10.243 -8.402 0.368 1.00 37.41 ATOM 123 HB2 HIS 8 -8.932 -7.298 0.769 1.00 35.22 ATOM 124 CG HIS 8 -10.115 -7.870 2.398 1.00 4.43 ATOM 125 ND1 HIS 8 -10.886 -6.745 2.604 1.00 72.43 ATOM 126 HD1 HIS 8 -11.082 -6.055 1.936 1.00 41.11 ATOM 127 CD2 HIS 8 -10.108 -8.539 3.574 1.00 23.44 ATOM 128 HD2 HIS 8 -9.585 -9.456 3.788 1.00 35.44 ATOM 129 CE1 HIS 8 -11.324 -6.736 3.850 1.00 73.51 ATOM 130 HE1 HIS 8 -11.951 -5.977 4.294 1.00 44.34 ATOM 131 NE2 HIS 8 -10.866 -7.815 4.460 1.00 15.43 ATOM 132 HE2 HIS 8 -11.118 -8.104 5.362 1.00 37.41 ATOM 133 C HIS 8 -9.242 -10.675 1.198 1.00 53.51 ATOM 134 O HIS 8 -9.432 -11.262 2.263 1.00 41.01 ATOM 135 N SER 9 -9.678 -11.135 0.030 1.00 72.22 ATOM 136 HN SER 9 -9.495 -10.628 -0.796 1.00 37.41 ATOM 137 CA SER 9 -10.425 -12.384 -0.069 1.00 65.00 ATOM 138 HA SER 9 -10.936 -12.558 0.873 1.00 34.40 ATOM 139 CB SER 9 -11.482 -12.285 -1.171 1.00 25.33 ATOM 140 HB1 SER 9 -12.058 -11.381 -1.035 1.00 37.41 ATOM 141 HB2 SER 9 -12.138 -13.141 -1.116 1.00 13.34 ATOM 142 OG SER 9 -10.880 -12.254 -2.453 1.00 61.44 ATOM 143 HG SER 9 -11.554 -12.371 -3.126 1.00 15.43 ATOM 144 C SER 9 -9.488 -13.556 -0.350 1.00 55.52 ATOM 145 O SER 9 -8.585 -13.458 -1.182 1.00 14.12 ATOM 146 N HIS 10 -9.711 -14.664 0.349 1.00 1.34 ATOM 147 HN HIS 10 -10.447 -14.693 1.001 1.00 37.41 ATOM 148 CA HIS 10 -8.888 -15.856 0.176 1.00 53.44 ATOM 149 HA HIS 10 -9.192 -16.582 0.915 1.00 43.33 ATOM 150 CB HIS 10 -9.112 -16.457 -1.212 1.00 63.31 ATOM 151 HB1 HIS 10 -8.621 -17.418 -1.262 1.00 37.41 ATOM 152 HB2 HIS 10 -8.686 -15.803 -1.962 1.00 65.54 ATOM 153 CG HIS 10 -10.556 -16.662 -1.551 1.00 32.13 ATOM 154 ND1 HIS 10 -11.468 -17.197 -0.666 1.00 31.54 ATOM 155 HD1 HIS 10 -11.274 -17.491 0.249 1.00 74.40 ATOM 156 CD2 HIS 10 -11.246 -16.398 -2.685 1.00 63.32 ATOM 157 HD2 HIS 10 -10.846 -15.969 -3.593 1.00 73.11 ATOM 158 CE1 HIS 10 -12.655 -17.256 -1.242 1.00 15.33 ATOM 159 HE1 HIS 10 -13.560 -17.631 -0.787 1.00 43.31 ATOM 160 NE2 HIS 10 -12.548 -16.776 -2.468 1.00 22.33 ATOM 161 HE2 HIS 10 -13.256 -16.795 -3.146 1.00 37.41 ATOM 162 C HIS 10 -7.411 -15.529 0.369 1.00 4.14 ATOM 163 O HIS 10 -6.614 -15.565 -0.568 1.00 43.34 ATOM 164 N PRO 11 -7.035 -15.202 1.615 1.00 43.43 ATOM 165 CA PRO 11 -5.651 -14.862 1.960 1.00 13.15 ATOM 166 HA PRO 11 -5.265 -14.077 1.325 1.00 72.04 ATOM 167 CB PRO 11 -5.760 -14.351 3.399 1.00 34.44 ATOM 168 HB1 PRO 11 -5.863 -13.277 3.395 1.00 37.41 ATOM 169 HB2 PRO 11 -4.896 -14.630 3.969 1.00 4.32 ATOM 170 CG PRO 11 -6.984 -15.005 3.942 1.00 72.54 ATOM 171 HG1 PRO 11 -7.421 -14.386 4.712 1.00 37.41 ATOM 172 HG2 PRO 11 -6.735 -15.979 4.338 1.00 51.33 ATOM 173 CD PRO 11 -7.931 -15.139 2.781 1.00 13.42 ATOM 174 HD1 PRO 11 -8.582 -14.279 2.723 1.00 37.41 ATOM 175 HD2 PRO 11 -8.509 -16.045 2.879 1.00 34.43 ATOM 176 C PRO 11 -4.723 -16.070 1.893 1.00 74.12 ATOM 177 O PRO 11 -5.178 -17.208 1.790 1.00 71.44 ATOM 178 N ASN 12 -3.421 -15.814 1.952 1.00 4.11 ATOM 179 HN ASN 12 -3.115 -14.880 2.050 1.00 37.41 ATOM 180 CA ASN 12 -2.429 -16.882 1.897 1.00 5.54 ATOM 181 HA ASN 12 -2.811 -17.668 1.253 1.00 53.34 ATOM 182 CB ASN 12 -1.115 -16.356 1.316 1.00 44.23 ATOM 183 HB1 ASN 12 -0.518 -15.899 2.095 1.00 37.41 ATOM 184 HB2 ASN 12 -1.334 -15.611 0.563 1.00 61.53 ATOM 185 CG ASN 12 -0.294 -17.450 0.660 1.00 2.35 ATOM 186 OD1 ASN 12 0.789 -17.796 1.133 1.00 42.33 ATOM 187 ND2 ASN 12 -0.807 -18.000 -0.434 1.00 13.52 ATOM 188 HD21 ASN 12 -1.677 -17.683 -0.767 1.00 22.42 ATOM 189 HD22 ASN 12 -0.291 -18.709 -0.872 1.00 42.42 ATOM 190 C ASN 12 -2.185 -17.469 3.284 1.00 23.11 ATOM 191 O ASN 12 -2.573 -16.883 4.294 1.00 75.12 ATOM 192 N GLU 13 -1.538 -18.630 3.324 1.00 41.13 ATOM 193 HN GLU 13 -1.279 -19.070 2.483 1.00 37.41 ATOM 194 CA GLU 13 -1.243 -19.296 4.587 1.00 64.34 ATOM 195 HA GLU 13 -2.172 -19.613 5.028 1.00 42.35 ATOM 196 CB GLU 13 -0.368 -20.529 4.346 1.00 1.52 ATOM 197 HB1 GLU 13 0.570 -20.210 3.908 1.00 37.41 ATOM 198 HB2 GLU 13 -0.875 -21.182 3.650 1.00 73.21 ATOM 199 CG GLU 13 -0.072 -21.321 5.609 1.00 50.43 ATOM 200 HG1 GLU 13 -0.982 -21.798 5.939 1.00 37.41 ATOM 201 HG2 GLU 13 0.285 -20.657 6.382 1.00 61.12 ATOM 202 CD GLU 13 0.980 -22.391 5.393 1.00 43.22 ATOM 203 OE1 GLU 13 1.137 -22.843 4.239 1.00 23.44 ATOM 204 OE2 GLU 13 1.646 -22.776 6.376 1.00 4.23 ATOM 205 C GLU 13 -0.545 -18.345 5.554 1.00 42.51 ATOM 206 O GLU 13 -0.800 -18.370 6.757 1.00 24.34 ATOM 207 N GLU 14 0.337 -17.506 5.018 1.00 72.44 ATOM 208 HN GLU 14 0.504 -17.532 4.047 1.00 37.41 ATOM 209 CA GLU 14 1.072 -16.547 5.834 1.00 63.54 ATOM 210 HA GLU 14 1.495 -17.083 6.675 1.00 1.34 ATOM 211 CB GLU 14 2.201 -15.911 5.020 1.00 61.55 ATOM 212 HB1 GLU 14 1.903 -14.928 4.676 1.00 37.41 ATOM 213 HB2 GLU 14 2.396 -16.530 4.152 1.00 41.15 ATOM 214 CG GLU 14 3.501 -15.765 5.792 1.00 0.05 ATOM 215 HG1 GLU 14 3.675 -16.664 6.369 1.00 37.41 ATOM 216 HG2 GLU 14 3.413 -14.923 6.462 1.00 61.23 ATOM 217 CD GLU 14 4.696 -15.542 4.887 1.00 44.04 ATOM 218 OE1 GLU 14 4.962 -16.412 4.031 1.00 24.43 ATOM 219 OE2 GLU 14 5.366 -14.498 5.033 1.00 72.12 ATOM 220 C GLU 14 0.143 -15.462 6.369 1.00 75.23 ATOM 221 O GLU 14 0.227 -15.077 7.534 1.00 32.35 ATOM 222 N ALA 15 -0.743 -14.973 5.507 1.00 15.14 ATOM 223 HN ALA 15 -0.755 -15.309 4.579 1.00 37.41 ATOM 224 CA ALA 15 -1.690 -13.934 5.893 1.00 40.42 ATOM 225 HA ALA 15 -1.128 -13.050 6.164 1.00 51.51 ATOM 226 CB ALA 15 -2.589 -13.576 4.718 1.00 22.43 ATOM 227 HB1 ALA 15 -2.939 -14.478 4.251 1.00 44.24 ATOM 228 HB2 ALA 15 -2.022 -13.002 4.000 1.00 10.12 ATOM 229 HB3 ALA 15 -3.434 -12.989 5.055 1.00 20.43 ATOM 230 C ALA 15 -2.528 -14.371 7.089 1.00 14.22 ATOM 231 O ALA 15 -2.657 -13.638 8.070 1.00 50.10 ATOM 232 N ARG 16 -3.097 -15.569 7.001 1.00 13.41 ATOM 233 HN ARG 16 -2.964 -16.094 6.181 1.00 37.41 ATOM 234 CA ARG 16 -3.925 -16.102 8.076 1.00 72.20 ATOM 235 HA ARG 16 -4.635 -15.339 8.371 1.00 65.11 ATOM 236 CB ARG 16 -4.700 -17.329 7.591 1.00 52.42 ATOM 237 HB1 ARG 16 -5.391 -17.013 6.823 1.00 37.41 ATOM 238 HB2 ARG 16 -5.266 -17.739 8.420 1.00 24.23 ATOM 239 CG ARG 16 -3.814 -18.420 7.012 1.00 1.54 ATOM 240 HG1 ARG 16 -3.026 -18.650 7.708 1.00 37.41 ATOM 241 HG2 ARG 16 -3.390 -18.085 6.094 1.00 2.53 ATOM 242 CD ARG 16 -4.597 -19.698 6.759 1.00 14.01 ATOM 243 HD1 ARG 16 -4.799 -20.168 7.710 1.00 37.41 ATOM 244 HD2 ARG 16 -3.999 -20.365 6.154 1.00 41.01 ATOM 245 NE ARG 16 -5.868 -19.437 6.087 1.00 64.41 ATOM 246 HE ARG 16 -6.689 -19.553 6.614 1.00 1.21 ATOM 247 CZ ARG 16 -5.963 -19.056 4.818 1.00 2.32 ATOM 248 NH1 ARG 16 -4.868 -18.891 4.088 1.00 75.41 ATOM 249 HH11 ARG 16 -3.976 -19.058 4.454 1.00 51.34 ATOM 250 HH12 ARG 16 -4.951 -18.588 3.136 1.00 11.04 ATOM 251 NH2 ARG 16 -7.155 -18.838 4.277 1.00 2.03 ATOM 252 HH21 ARG 16 -7.986 -18.960 4.823 1.00 60.13 ATOM 253 HH22 ARG 16 -7.229 -18.550 3.320 1.00 55.43 ATOM 254 C ARG 16 -3.073 -16.472 9.286 1.00 2.14 ATOM 255 O ARG 16 -3.512 -16.347 10.430 1.00 13.13 ATOM 256 N LEU 17 -1.852 -16.928 9.027 1.00 54.22 ATOM 257 HN LEU 17 -1.554 -17.024 8.092 1.00 37.41 ATOM 258 CA LEU 17 -0.938 -17.316 10.095 1.00 63.53 ATOM 259 HA LEU 17 -1.429 -18.061 10.707 1.00 53.14 ATOM 260 CB LEU 17 0.336 -17.926 9.506 1.00 74.14 ATOM 261 HB1 LEU 17 0.661 -17.297 8.689 1.00 37.41 ATOM 262 HB2 LEU 17 0.081 -18.898 9.106 1.00 30.40 ATOM 263 CG LEU 17 1.509 -18.093 10.472 1.00 71.42 ATOM 264 HG LEU 17 1.865 -17.121 10.776 1.00 25.44 ATOM 265 CD1 LEU 17 1.070 -18.846 11.719 1.00 45.43 ATOM 266 HD11 LEU 17 0.766 -19.847 11.451 1.00 2.23 ATOM 267 HD12 LEU 17 0.257 -18.351 12.210 1.00 0.10 ATOM 268 HD13 LEU 17 1.904 -18.901 12.398 1.00 33.42 ATOM 269 CD2 LEU 17 2.663 -18.814 9.790 1.00 73.20 ATOM 270 HD21 LEU 17 2.335 -19.780 9.440 1.00 54.34 ATOM 271 HD22 LEU 17 3.478 -18.943 10.490 1.00 13.10 ATOM 272 HD23 LEU 17 3.007 -18.227 8.950 1.00 34.43 ATOM 273 C LEU 17 -0.584 -16.119 10.971 1.00 24.30 ATOM 274 O LEU 17 -0.483 -16.239 12.192 1.00 23.41 ATOM 275 N ASP 18 -0.398 -14.965 10.340 1.00 71.21 ATOM 276 HN ASP 18 -0.473 -14.930 9.357 1.00 37.41 ATOM 277 CA ASP 18 -0.059 -13.745 11.062 1.00 4.43 ATOM 278 HA ASP 18 0.888 -13.915 11.559 1.00 41.11 ATOM 279 CB ASP 18 0.079 -12.572 10.089 1.00 22.55 ATOM 280 HB1 ASP 18 -0.900 -12.192 9.826 1.00 37.41 ATOM 281 HB2 ASP 18 0.574 -12.916 9.191 1.00 22.41 ATOM 282 CG ASP 18 0.900 -11.435 10.666 1.00 72.33 ATOM 283 OD1 ASP 18 1.897 -11.717 11.363 1.00 43.23 ATOM 284 OD2 ASP 18 0.545 -10.264 10.419 1.00 50.11 ATOM 285 C ASP 18 -1.114 -13.426 12.116 1.00 12.43 ATOM 286 O ASP 18 -0.796 -12.923 13.195 1.00 55.04 ATOM 287 N ILE 19 -2.370 -13.720 11.797 1.00 41.13 ATOM 288 HN ILE 19 -2.556 -14.150 10.934 1.00 37.41 ATOM 289 CA ILE 19 -3.472 -13.464 12.716 1.00 24.32 ATOM 290 HA ILE 19 -3.460 -12.410 12.968 1.00 65.54 ATOM 291 CB ILE 19 -4.831 -13.791 12.071 1.00 71.34 ATOM 292 HB ILE 19 -4.877 -14.851 11.901 1.00 2.01 ATOM 293 CG1 ILE 19 -4.968 -13.072 10.727 1.00 35.11 ATOM 294 HG11 ILE 19 -4.165 -13.363 10.069 1.00 37.41 ATOM 295 HG12 ILE 19 -4.925 -12.004 10.885 1.00 52.13 ATOM 296 CG2 ILE 19 -5.968 -13.403 13.004 1.00 1.11 ATOM 297 HG21 ILE 19 -5.886 -13.947 13.927 1.00 21.32 ATOM 298 HG22 ILE 19 -6.918 -13.642 12.552 1.00 32.21 ATOM 299 HG23 ILE 19 -5.926 -12.342 13.209 1.00 32.33 ATOM 300 CD1 ILE 19 -6.264 -13.377 10.008 1.00 62.41 ATOM 301 HD11 ILE 19 -6.213 -12.987 9.002 1.00 41.02 ATOM 302 HD12 ILE 19 -7.087 -12.911 10.528 1.00 33.14 ATOM 303 HD13 ILE 19 -6.419 -14.444 9.969 1.00 61.14 ATOM 304 C ILE 19 -3.320 -14.279 13.996 1.00 70.51 ATOM 305 O ILE 19 -3.510 -13.765 15.099 1.00 71.20 ATOM 306 N LEU 20 -2.975 -15.553 13.842 1.00 20.00 ATOM 307 HN LEU 20 -2.840 -15.913 12.933 1.00 37.41 ATOM 308 CA LEU 20 -2.795 -16.441 14.986 1.00 52.42 ATOM 309 HA LEU 20 -3.677 -16.373 15.612 1.00 15.11 ATOM 310 CB LEU 20 -2.637 -17.887 14.514 1.00 64.01 ATOM 311 HB1 LEU 20 -2.263 -18.471 15.348 1.00 37.41 ATOM 312 HB2 LEU 20 -1.874 -17.894 13.745 1.00 21.12 ATOM 313 CG LEU 20 -3.900 -18.561 13.978 1.00 53.54 ATOM 314 HG LEU 20 -4.717 -17.868 14.021 1.00 12.42 ATOM 315 CD1 LEU 20 -3.709 -18.976 12.527 1.00 31.23 ATOM 316 HD11 LEU 20 -3.435 -18.119 11.940 1.00 0.32 ATOM 317 HD12 LEU 20 -4.631 -19.390 12.144 1.00 31.40 ATOM 318 HD13 LEU 20 -2.927 -19.720 12.460 1.00 72.04 ATOM 319 CD2 LEU 20 -4.269 -19.763 14.835 1.00 44.32 ATOM 320 HD21 LEU 20 -3.469 -20.491 14.808 1.00 72.44 ATOM 321 HD22 LEU 20 -5.177 -20.213 14.457 1.00 42.24 ATOM 322 HD23 LEU 20 -4.429 -19.445 15.856 1.00 52.24 ATOM 323 C LEU 20 -1.581 -16.027 15.811 1.00 41.33 ATOM 324 O LEU 20 -1.559 -16.192 17.031 1.00 75.04 ATOM 325 N LYS 21 -0.571 -15.486 15.137 1.00 13.44 ATOM 326 HN LYS 21 -0.632 -15.390 14.158 1.00 37.41 ATOM 327 CA LYS 21 0.646 -15.044 15.807 1.00 3.11 ATOM 328 HA LYS 21 1.010 -15.858 16.422 1.00 43.12 ATOM 329 CB LYS 21 1.717 -14.680 14.776 1.00 53.42 ATOM 330 HB1 LYS 21 2.492 -14.091 15.256 1.00 37.41 ATOM 331 HB2 LYS 21 1.260 -14.085 13.997 1.00 30.52 ATOM 332 CG LYS 21 2.380 -15.887 14.135 1.00 13.40 ATOM 333 HG1 LYS 21 1.613 -16.500 13.680 1.00 37.41 ATOM 334 HG2 LYS 21 2.874 -16.457 14.909 1.00 11.31 ATOM 335 CD LYS 21 3.374 -15.473 13.063 1.00 72.01 ATOM 336 HD1 LYS 21 3.405 -14.393 12.973 1.00 37.41 ATOM 337 HD2 LYS 21 3.059 -15.896 12.122 1.00 3.00 ATOM 338 CE LYS 21 4.773 -15.983 13.373 1.00 12.15 ATOM 339 HE1 LYS 21 5.283 -16.159 12.437 1.00 37.41 ATOM 340 HE2 LYS 21 4.720 -16.914 13.923 1.00 72.30 ATOM 341 NZ LYS 21 5.561 -14.995 14.161 1.00 31.14 ATOM 342 HZ1 LYS 21 5.089 -14.796 15.068 1.00 24.14 ATOM 343 HZ2 LYS 21 5.660 -14.105 13.631 1.00 15.14 ATOM 344 HZ3 LYS 21 6.510 -15.373 14.355 1.00 32.43 ATOM 345 C LYS 21 0.367 -13.847 16.710 1.00 52.30 ATOM 346 O LYS 21 0.845 -13.788 17.843 1.00 14.53 ATOM 347 N ILE 22 -0.410 -12.896 16.201 1.00 20.32 ATOM 348 HN ILE 22 -0.772 -13.002 15.290 1.00 37.41 ATOM 349 CA ILE 22 -0.754 -11.703 16.963 1.00 15.43 ATOM 350 HA ILE 22 0.158 -11.254 17.327 1.00 52.23 ATOM 351 CB ILE 22 -1.483 -10.666 16.087 1.00 22.14 ATOM 352 HB ILE 22 -2.399 -11.116 15.725 1.00 31.11 ATOM 353 CG1 ILE 22 -0.609 -10.269 14.896 1.00 72.45 ATOM 354 HG11 ILE 22 -0.106 -11.129 14.493 1.00 37.41 ATOM 355 HG12 ILE 22 0.140 -9.558 15.218 1.00 3.11 ATOM 356 CG2 ILE 22 -1.852 -9.442 16.912 1.00 45.34 ATOM 357 HG21 ILE 22 -0.977 -9.068 17.427 1.00 34.01 ATOM 358 HG22 ILE 22 -2.613 -9.698 17.634 1.00 53.25 ATOM 359 HG23 ILE 22 -2.238 -8.668 16.263 1.00 62.02 ATOM 360 CD1 ILE 22 -1.384 -9.629 13.765 1.00 0.12 ATOM 361 HD11 ILE 22 -1.837 -8.712 14.110 1.00 65.44 ATOM 362 HD12 ILE 22 -2.155 -10.306 13.427 1.00 63.34 ATOM 363 HD13 ILE 22 -0.713 -9.412 12.947 1.00 13.43 ATOM 364 C ILE 22 -1.635 -12.049 18.159 1.00 4.05 ATOM 365 O ILE 22 -1.495 -11.467 19.236 1.00 55.23 ATOM 366 N HIS 23 -2.540 -13.002 17.965 1.00 73.35 ATOM 367 HN HIS 23 -2.613 -13.433 17.081 1.00 37.41 ATOM 368 CA HIS 23 -3.442 -13.429 19.028 1.00 13.14 ATOM 369 HA HIS 23 -3.795 -12.547 19.552 1.00 61.25 ATOM 370 CB HIS 23 -4.639 -14.177 18.441 1.00 34.34 ATOM 371 HB1 HIS 23 -5.080 -14.801 19.207 1.00 37.41 ATOM 372 HB2 HIS 23 -4.306 -14.804 17.626 1.00 1.00 ATOM 373 CG HIS 23 -5.716 -13.273 17.925 1.00 72.51 ATOM 374 ND1 HIS 23 -6.209 -12.204 18.642 1.00 51.31 ATOM 375 HD1 HIS 23 -5.919 -11.932 19.538 1.00 45.43 ATOM 376 CD2 HIS 23 -6.394 -13.284 16.753 1.00 12.44 ATOM 377 HD2 HIS 23 -6.279 -14.001 15.958 1.00 53.31 ATOM 378 CE1 HIS 23 -7.145 -11.596 17.935 1.00 61.13 ATOM 379 HE1 HIS 23 -7.706 -10.727 18.244 1.00 22.44 ATOM 380 NE2 HIS 23 -7.276 -12.232 16.784 1.00 12.52 ATOM 381 HE2 HIS 23 -7.836 -11.936 16.036 1.00 37.41 ATOM 382 C HIS 23 -2.715 -14.317 20.034 1.00 53.13 ATOM 383 O HIS 23 -3.073 -14.360 21.211 1.00 63.22 ATOM 384 N SER 24 -1.694 -15.024 19.561 1.00 30.40 ATOM 385 HN SER 24 -1.448 -14.957 18.610 1.00 37.41 ATOM 386 CA SER 24 -0.920 -15.915 20.417 1.00 23.05 ATOM 387 HA SER 24 -1.592 -16.384 21.126 1.00 4.25 ATOM 388 CB SER 24 -0.255 -17.011 19.582 1.00 54.34 ATOM 389 HB1 SER 24 -0.983 -17.448 18.919 1.00 37.41 ATOM 390 HB2 SER 24 0.113 -17.772 20.241 1.00 22.43 ATOM 391 OG SER 24 0.815 -16.488 18.814 1.00 23.32 ATOM 392 HG SER 24 1.425 -17.194 18.588 1.00 65.22 ATOM 393 C SER 24 0.140 -15.138 21.192 1.00 0.15 ATOM 394 O SER 24 0.550 -15.542 22.280 1.00 24.44 ATOM 395 N ARG 25 0.579 -14.020 20.624 1.00 52.23 ATOM 396 HN ARG 25 0.234 -13.751 19.742 1.00 37.41 ATOM 397 CA ARG 25 1.592 -13.186 21.259 1.00 15.34 ATOM 398 HA ARG 25 2.497 -13.774 21.355 1.00 3.31 ATOM 399 CB ARG 25 1.875 -11.949 20.404 1.00 33.23 ATOM 400 HB1 ARG 25 2.178 -11.127 21.043 1.00 37.41 ATOM 401 HB2 ARG 25 0.965 -11.666 19.890 1.00 23.43 ATOM 402 CG ARG 25 2.975 -12.158 19.377 1.00 61.21 ATOM 403 HG1 ARG 25 2.905 -13.155 18.965 1.00 37.41 ATOM 404 HG2 ARG 25 3.930 -12.040 19.867 1.00 13.54 ATOM 405 CD ARG 25 2.876 -11.151 18.242 1.00 62.01 ATOM 406 HD1 ARG 25 2.547 -10.199 18.643 1.00 37.41 ATOM 407 HD2 ARG 25 2.157 -11.510 17.527 1.00 35.52 ATOM 408 NE ARG 25 4.155 -10.967 17.561 1.00 53.25 ATOM 409 HE ARG 25 4.861 -11.637 17.716 1.00 64.44 ATOM 410 CZ ARG 25 4.412 -9.952 16.743 1.00 5.34 ATOM 411 NH1 ARG 25 3.485 -9.034 16.508 1.00 71.24 ATOM 412 HH11 ARG 25 2.583 -9.081 16.929 1.00 3.32 ATOM 413 HH12 ARG 25 3.692 -8.271 15.892 1.00 70.12 ATOM 414 NH2 ARG 25 5.600 -9.853 16.161 1.00 44.24 ATOM 415 HH21 ARG 25 6.306 -10.542 16.336 1.00 22.41 ATOM 416 HH22 ARG 25 5.797 -9.089 15.543 1.00 43.32 ATOM 417 C ARG 25 1.147 -12.761 22.656 1.00 4.40 ATOM 418 O ARG 25 1.974 -12.495 23.529 1.00 65.34 ATOM 419 N LYS 26 -0.164 -12.697 22.861 1.00 61.55 ATOM 420 HN LYS 26 -0.790 -12.877 22.124 1.00 37.41 ATOM 421 CA LYS 26 -0.720 -12.306 24.150 1.00 4.44 ATOM 422 HA LYS 26 -0.021 -11.653 24.646 1.00 23.43 ATOM 423 CB LYS 26 -2.044 -11.565 23.954 1.00 11.43 ATOM 424 HB1 LYS 26 -2.538 -11.446 24.912 1.00 37.41 ATOM 425 HB2 LYS 26 -2.676 -12.164 23.313 1.00 32.32 ATOM 426 CG LYS 26 -1.887 -10.199 23.307 1.00 34.42 ATOM 427 HG1 LYS 26 -2.797 -9.976 22.768 1.00 37.41 ATOM 428 HG2 LYS 26 -1.060 -10.213 22.606 1.00 33.34 ATOM 429 CD LYS 26 -1.667 -9.112 24.346 1.00 73.14 ATOM 430 HD1 LYS 26 -2.280 -9.302 25.218 1.00 37.41 ATOM 431 HD2 LYS 26 -1.954 -8.165 23.912 1.00 53.11 ATOM 432 CE LYS 26 -0.209 -9.034 24.771 1.00 60.24 ATOM 433 HE1 LYS 26 0.432 -9.326 23.947 1.00 37.41 ATOM 434 HE2 LYS 26 -0.055 -9.708 25.599 1.00 51.11 ATOM 435 NZ LYS 26 0.171 -7.660 25.201 1.00 52.04 ATOM 436 HZ1 LYS 26 -0.411 -7.360 26.011 1.00 73.32 ATOM 437 HZ2 LYS 26 0.034 -6.985 24.420 1.00 1.31 ATOM 438 HZ3 LYS 26 1.172 -7.641 25.484 1.00 61.34 ATOM 439 C LYS 26 -0.934 -13.524 25.043 1.00 3.32 ATOM 440 O LYS 26 -0.910 -13.418 26.269 1.00 12.21 ATOM 441 N MET 27 -1.141 -14.679 24.420 1.00 21.23 ATOM 442 HN MET 27 -1.179 -14.709 23.443 1.00 37.41 ATOM 443 CA MET 27 -1.356 -15.918 25.160 1.00 52.43 ATOM 444 HA MET 27 -1.734 -15.679 26.149 1.00 63.24 ATOM 445 CB MET 27 -2.386 -16.793 24.442 1.00 0.54 ATOM 446 HB1 MET 27 -2.332 -17.804 24.817 1.00 37.41 ATOM 447 HB2 MET 27 -2.151 -16.806 23.387 1.00 61.44 ATOM 448 CG MET 27 -3.815 -16.299 24.596 1.00 53.52 ATOM 449 HG1 MET 27 -4.043 -15.643 23.769 1.00 37.41 ATOM 450 HG2 MET 27 -3.912 -15.751 25.525 1.00 44.14 ATOM 451 SD MET 27 -5.017 -17.643 24.609 1.00 51.43 ATOM 452 CE MET 27 -4.452 -18.616 23.216 1.00 45.15 ATOM 453 HE1 MET 27 -5.191 -19.367 22.979 1.00 53.22 ATOM 454 HE2 MET 27 -3.519 -19.098 23.465 1.00 4.52 ATOM 455 HE3 MET 27 -4.308 -17.972 22.361 1.00 75.33 ATOM 456 C MET 27 -0.049 -16.685 25.328 1.00 44.14 ATOM 457 O MET 27 1.013 -16.218 24.917 1.00 12.21 ATOM 458 N ASN 28 -0.133 -17.865 25.934 1.00 55.41 ATOM 459 HN ASN 28 -1.001 -18.187 26.269 1.00 37.41 ATOM 460 CA ASN 28 1.044 -18.696 26.157 1.00 51.04 ATOM 461 HA ASN 28 1.935 -18.100 25.982 1.00 73.52 ATOM 462 CB ASN 28 1.068 -19.207 27.599 1.00 51.33 ATOM 463 HB1 ASN 28 1.714 -20.074 27.670 1.00 37.41 ATOM 464 HB2 ASN 28 0.067 -19.489 27.893 1.00 14.14 ATOM 465 CG ASN 28 1.583 -18.165 28.573 1.00 43.44 ATOM 466 OD1 ASN 28 2.334 -17.265 28.196 1.00 4.21 ATOM 467 ND2 ASN 28 1.181 -18.282 29.833 1.00 71.44 ATOM 468 HD21 ASN 28 0.580 -19.018 30.067 1.00 24.54 ATOM 469 HD22 ASN 28 1.504 -17.622 30.482 1.00 4.21 ATOM 470 C ASN 28 1.069 -19.874 25.188 1.00 61.14 ATOM 471 O ASN 28 0.032 -20.467 24.887 1.00 62.21 ATOM 472 N LEU 29 2.260 -20.209 24.703 1.00 53.55 ATOM 473 HN LEU 29 3.059 -19.697 24.970 1.00 37.41 ATOM 474 CA LEU 29 2.421 -21.317 23.768 1.00 42.33 ATOM 475 HA LEU 29 1.496 -21.868 23.714 1.00 61.05 ATOM 476 CB LEU 29 2.743 -20.787 22.369 1.00 21.21 ATOM 477 HB1 LEU 29 2.721 -21.626 21.694 1.00 37.41 ATOM 478 HB2 LEU 29 3.754 -20.392 22.388 1.00 64.12 ATOM 479 CG LEU 29 1.811 -19.701 21.832 1.00 51.32 ATOM 480 HG LEU 29 1.644 -18.957 22.597 1.00 45.43 ATOM 481 CD1 LEU 29 2.442 -18.998 20.640 1.00 54.31 ATOM 482 HD11 LEU 29 3.518 -18.961 20.755 1.00 43.32 ATOM 483 HD12 LEU 29 2.076 -17.989 20.590 1.00 41.22 ATOM 484 HD13 LEU 29 2.204 -19.513 19.718 1.00 41.32 ATOM 485 CD2 LEU 29 0.463 -20.295 21.451 1.00 71.13 ATOM 486 HD21 LEU 29 0.397 -20.449 20.386 1.00 4.42 ATOM 487 HD22 LEU 29 -0.315 -19.609 21.749 1.00 60.34 ATOM 488 HD23 LEU 29 0.306 -21.239 21.958 1.00 71.24 ATOM 489 C LEU 29 3.523 -22.264 24.231 1.00 22.02 ATOM 490 O LEU 29 4.472 -21.851 24.899 1.00 32.55 ATOM 491 N THR 30 3.393 -23.537 23.870 1.00 10.13 ATOM 492 HN THR 30 2.609 -23.809 23.335 1.00 37.41 ATOM 493 CA THR 30 4.378 -24.543 24.248 1.00 55.01 ATOM 494 HA THR 30 4.359 -24.644 25.324 1.00 51.44 ATOM 495 CB THR 30 4.045 -25.914 23.630 1.00 33.34 ATOM 496 HB THR 30 3.014 -26.151 23.851 1.00 41.32 ATOM 497 OG1 THR 30 4.889 -26.924 24.195 1.00 51.30 ATOM 498 HG1 THR 30 4.542 -27.194 25.049 1.00 5.02 ATOM 499 CG2 THR 30 4.222 -25.885 22.120 1.00 55.23 ATOM 500 HG21 THR 30 3.586 -25.130 21.706 1.00 63.11 ATOM 501 HG22 THR 30 3.938 -26.845 21.715 1.00 73.43 ATOM 502 HG23 THR 30 5.249 -25.684 21.860 1.00 40.43 ATOM 503 C THR 30 5.779 -24.130 23.815 1.00 65.14 ATOM 504 O THR 30 5.958 -23.115 23.141 1.00 15.35 ATOM 505 N ARG 31 6.772 -24.924 24.204 1.00 11.40 ATOM 506 HN ARG 31 6.568 -25.733 24.732 1.00 37.41 ATOM 507 CA ARG 31 8.159 -24.640 23.856 1.00 52.53 ATOM 508 HA ARG 31 8.297 -23.566 23.832 1.00 35.34 ATOM 509 CB ARG 31 9.102 -25.242 24.898 1.00 25.02 ATOM 510 HB1 ARG 31 10.087 -25.390 24.467 1.00 37.41 ATOM 511 HB2 ARG 31 8.715 -26.204 25.203 1.00 44.11 ATOM 512 CG ARG 31 9.260 -24.386 26.144 1.00 45.51 ATOM 513 HG1 ARG 31 9.662 -25.000 26.936 1.00 37.41 ATOM 514 HG2 ARG 31 8.294 -24.002 26.444 1.00 3.21 ATOM 515 CD ARG 31 10.205 -23.219 25.902 1.00 43.24 ATOM 516 HD1 ARG 31 10.008 -22.779 24.932 1.00 37.41 ATOM 517 HD2 ARG 31 11.217 -23.596 25.917 1.00 34.02 ATOM 518 NE ARG 31 10.080 -22.190 26.931 1.00 72.14 ATOM 519 HE ARG 31 10.792 -22.139 27.606 1.00 31.43 ATOM 520 CZ ARG 31 9.066 -21.334 26.995 1.00 72.45 ATOM 521 NH1 ARG 31 8.094 -21.384 26.094 1.00 61.41 ATOM 522 HH11 ARG 31 8.096 -22.052 25.358 1.00 32.10 ATOM 523 HH12 ARG 31 7.334 -20.733 26.153 1.00 10.30 ATOM 524 NH2 ARG 31 9.022 -20.427 27.961 1.00 2.52 ATOM 525 HH21 ARG 31 9.753 -20.384 28.645 1.00 12.01 ATOM 526 HH22 ARG 31 8.258 -19.780 28.011 1.00 31.04 ATOM 527 C ARG 31 8.495 -25.188 22.472 1.00 22.11 ATOM 528 O ARG 31 9.324 -26.087 22.334 1.00 11.21 ATOM 529 N GLY 32 7.845 -24.640 21.450 1.00 61.43 ATOM 530 HN GLY 32 7.236 -23.891 21.611 1.00 37.41 ATOM 531 CA GLY 32 8.088 -25.088 20.091 1.00 42.33 ATOM 532 HA1 GLY 32 8.620 -26.032 20.090 1.00 37.41 ATOM 533 HA2 GLY 32 8.697 -24.351 19.591 1.00 32.14 ATOM 534 C GLY 32 6.807 -25.267 19.301 1.00 33.33 ATOM 535 O GLY 32 6.684 -26.202 18.509 1.00 51.20 ATOM 536 N ILE 33 5.850 -24.372 19.519 1.00 55.34 ATOM 537 HN ILE 33 6.010 -23.628 20.137 1.00 37.41 ATOM 538 CA ILE 33 4.571 -24.436 18.822 1.00 60.54 ATOM 539 HA ILE 33 4.208 -25.459 18.888 1.00 24.32 ATOM 540 CB ILE 33 3.526 -23.512 19.475 1.00 63.43 ATOM 541 HB ILE 33 3.517 -23.697 20.530 1.00 50.13 ATOM 542 CG1 ILE 33 2.136 -23.793 18.901 1.00 32.03 ATOM 543 HG11 ILE 33 1.886 -24.825 19.073 1.00 37.41 ATOM 544 HG12 ILE 33 2.128 -23.596 17.840 1.00 40.35 ATOM 545 CG2 ILE 33 3.906 -22.054 19.268 1.00 42.13 ATOM 546 HG21 ILE 33 4.909 -21.878 19.627 1.00 33.44 ATOM 547 HG22 ILE 33 3.231 -21.430 19.805 1.00 0.53 ATOM 548 HG23 ILE 33 3.851 -21.794 18.222 1.00 31.32 ATOM 549 CD1 ILE 33 1.044 -22.952 19.525 1.00 31.32 ATOM 550 HD11 ILE 33 1.123 -22.980 20.603 1.00 44.21 ATOM 551 HD12 ILE 33 0.090 -23.345 19.225 1.00 31.10 ATOM 552 HD13 ILE 33 1.139 -21.937 19.178 1.00 23.22 ATOM 553 C ILE 33 4.725 -24.053 17.354 1.00 62.33 ATOM 554 O ILE 33 5.489 -23.151 17.014 1.00 25.13 ATOM 555 N ASN 34 3.992 -24.745 16.487 1.00 11.41 ATOM 556 HN ASN 34 3.395 -25.458 16.810 1.00 37.41 ATOM 557 CA ASN 34 4.046 -24.476 15.055 1.00 40.03 ATOM 558 HA ASN 34 4.741 -23.660 14.878 1.00 0.03 ATOM 559 CB ASN 34 4.537 -25.714 14.301 1.00 52.53 ATOM 560 HB1 ASN 34 3.708 -26.305 13.957 1.00 37.41 ATOM 561 HB2 ASN 34 5.137 -26.319 14.968 1.00 71.43 ATOM 562 CG ASN 34 5.403 -25.358 13.108 1.00 74.05 ATOM 563 OD1 ASN 34 6.528 -24.884 13.262 1.00 1.25 ATOM 564 ND2 ASN 34 4.880 -25.586 11.908 1.00 34.14 ATOM 565 HD21 ASN 34 3.980 -25.970 11.842 1.00 2.41 ATOM 566 HD22 ASN 34 5.423 -25.358 11.125 1.00 60.14 ATOM 567 C ASN 34 2.677 -24.055 14.528 1.00 23.41 ATOM 568 O ASN 34 1.857 -24.896 14.157 1.00 64.41 ATOM 569 N LEU 35 2.437 -22.749 14.498 1.00 60.32 ATOM 570 HN LEU 35 3.138 -22.123 14.800 1.00 37.41 ATOM 571 CA LEU 35 1.168 -22.216 14.016 1.00 53.22 ATOM 572 HA LEU 35 0.374 -22.744 14.505 1.00 10.51 ATOM 573 CB LEU 35 1.045 -20.734 14.375 1.00 3.04 ATOM 574 HB1 LEU 35 0.092 -20.360 14.019 1.00 37.41 ATOM 575 HB2 LEU 35 1.833 -20.227 13.844 1.00 43.51 ATOM 576 CG LEU 35 1.199 -20.388 15.857 1.00 42.12 ATOM 577 HG LEU 35 1.926 -21.045 16.313 1.00 54.20 ATOM 578 CD1 LEU 35 1.706 -18.964 16.022 1.00 0.43 ATOM 579 HD11 LEU 35 0.993 -18.270 15.598 1.00 15.35 ATOM 580 HD12 LEU 35 2.655 -18.856 15.516 1.00 31.22 ATOM 581 HD13 LEU 35 1.838 -18.746 17.072 1.00 10.14 ATOM 582 CD2 LEU 35 -0.122 -20.574 16.588 1.00 32.11 ATOM 583 HD21 LEU 35 -0.868 -19.915 16.169 1.00 4.30 ATOM 584 HD22 LEU 35 0.008 -20.346 17.637 1.00 64.55 ATOM 585 HD23 LEU 35 -0.451 -21.599 16.486 1.00 13.02 ATOM 586 C LEU 35 1.039 -22.397 12.507 1.00 52.12 ATOM 587 O LEU 35 -0.067 -22.503 11.977 1.00 73.43 ATOM 588 N ARG 36 2.177 -22.433 11.821 1.00 54.10 ATOM 589 HN ARG 36 3.036 -22.320 12.290 1.00 37.41 ATOM 590 CA ARG 36 2.191 -22.602 10.373 1.00 72.40 ATOM 591 HA ARG 36 1.723 -21.734 9.936 1.00 24.53 ATOM 592 CB ARG 36 3.630 -22.714 9.865 1.00 14.33 ATOM 593 HB1 ARG 36 4.015 -23.704 10.077 1.00 37.41 ATOM 594 HB2 ARG 36 4.234 -21.988 10.396 1.00 71.10 ATOM 595 CG ARG 36 3.771 -22.454 8.375 1.00 43.55 ATOM 596 HG1 ARG 36 3.193 -21.581 8.102 1.00 37.41 ATOM 597 HG2 ARG 36 3.406 -23.316 7.843 1.00 55.51 ATOM 598 CD ARG 36 5.223 -22.227 7.984 1.00 4.21 ATOM 599 HD1 ARG 36 5.828 -23.035 8.375 1.00 37.41 ATOM 600 HD2 ARG 36 5.546 -21.293 8.421 1.00 11.33 ATOM 601 NE ARG 36 5.398 -22.168 6.535 1.00 11.24 ATOM 602 HE ARG 36 4.648 -22.463 5.967 1.00 62.13 ATOM 603 CZ ARG 36 6.510 -21.744 5.946 1.00 63.32 ATOM 604 NH1 ARG 36 7.542 -21.345 6.677 1.00 34.22 ATOM 605 HH11 ARG 36 7.511 -21.355 7.674 1.00 35.41 ATOM 606 HH12 ARG 36 8.376 -21.025 6.222 1.00 54.22 ATOM 607 NH2 ARG 36 6.593 -21.720 4.622 1.00 51.14 ATOM 608 HH21 ARG 36 5.818 -22.021 4.063 1.00 74.31 ATOM 609 HH22 ARG 36 7.431 -21.400 4.175 1.00 43.01 ATOM 610 C ARG 36 1.398 -23.840 9.963 1.00 62.13 ATOM 611 O ARG 36 0.628 -23.808 9.003 1.00 41.44 ATOM 612 N LYS 37 1.592 -24.931 10.696 1.00 5.32 ATOM 613 HN LYS 37 2.212 -24.896 11.459 1.00 37.41 ATOM 614 CA LYS 37 0.896 -26.180 10.410 1.00 3.45 ATOM 615 HA LYS 37 1.008 -26.400 9.356 1.00 43.31 ATOM 616 CB LYS 37 1.511 -27.326 11.217 1.00 14.00 ATOM 617 HB1 LYS 37 1.570 -27.031 12.256 1.00 37.41 ATOM 618 HB2 LYS 37 2.513 -27.500 10.850 1.00 73.44 ATOM 619 CG LYS 37 0.739 -28.629 11.107 1.00 74.34 ATOM 620 HG1 LYS 37 1.443 -29.450 11.132 1.00 37.41 ATOM 621 HG2 LYS 37 0.204 -28.655 10.165 1.00 0.42 ATOM 622 CD LYS 37 -0.264 -28.781 12.239 1.00 63.45 ATOM 623 HD1 LYS 37 -1.119 -29.316 11.865 1.00 37.41 ATOM 624 HD2 LYS 37 -0.580 -27.816 12.603 1.00 43.34 ATOM 625 CE LYS 37 0.327 -29.558 13.405 1.00 33.42 ATOM 626 HE1 LYS 37 -0.136 -29.210 14.314 1.00 37.41 ATOM 627 HE2 LYS 37 1.392 -29.392 13.454 1.00 13.34 ATOM 628 NZ LYS 37 0.083 -31.022 13.277 1.00 43.13 ATOM 629 HZ1 LYS 37 0.516 -31.386 12.403 1.00 61.11 ATOM 630 HZ2 LYS 37 -0.939 -31.218 13.253 1.00 10.13 ATOM 631 HZ3 LYS 37 0.499 -31.523 14.089 1.00 34.12 ATOM 632 C LYS 37 -0.590 -26.059 10.730 1.00 74.13 ATOM 633 O LYS 37 -1.421 -26.744 10.131 1.00 44.41 ATOM 634 N ILE 38 -0.919 -25.185 11.675 1.00 50.55 ATOM 635 HN ILE 38 -0.219 -24.666 12.108 1.00 37.41 ATOM 636 CA ILE 38 -2.306 -24.973 12.070 1.00 21.33 ATOM 637 HA ILE 38 -2.736 -25.936 12.320 1.00 64.24 ATOM 638 CB ILE 38 -2.406 -24.057 13.304 1.00 21.44 ATOM 639 HB ILE 38 -2.095 -23.062 13.028 1.00 54.14 ATOM 640 CG1 ILE 38 -1.495 -24.570 14.422 1.00 11.20 ATOM 641 HG11 ILE 38 -1.602 -23.935 15.291 1.00 37.41 ATOM 642 HG12 ILE 38 -0.477 -24.543 14.096 1.00 64.14 ATOM 643 CG2 ILE 38 -3.847 -23.972 13.785 1.00 22.02 ATOM 644 HG21 ILE 38 -4.458 -23.506 13.027 1.00 23.03 ATOM 645 HG22 ILE 38 -3.894 -23.372 14.681 1.00 65.30 ATOM 646 HG23 ILE 38 -4.231 -24.959 13.994 1.00 52.21 ATOM 647 CD1 ILE 38 -1.800 -25.989 14.847 1.00 65.45 ATOM 648 HD11 ILE 38 -2.773 -26.294 14.508 1.00 21.12 ATOM 649 HD12 ILE 38 -1.767 -26.051 15.924 1.00 14.04 ATOM 650 HD13 ILE 38 -1.054 -26.651 14.432 1.00 35.21 ATOM 651 C ILE 38 -3.116 -24.363 10.931 1.00 23.14 ATOM 652 O ILE 38 -4.124 -24.924 10.504 1.00 52.34 ATOM 653 N ALA 39 -2.666 -23.212 10.443 1.00 2.34 ATOM 654 HN ALA 39 -1.852 -22.810 10.833 1.00 37.41 ATOM 655 CA ALA 39 -3.346 -22.527 9.351 1.00 32.02 ATOM 656 HA ALA 39 -4.331 -22.241 9.695 1.00 41.14 ATOM 657 CB ALA 39 -2.594 -21.260 8.973 1.00 51.41 ATOM 658 HB1 ALA 39 -2.673 -21.073 7.914 1.00 51.43 ATOM 659 HB2 ALA 39 -1.549 -21.360 9.232 1.00 11.31 ATOM 660 HB3 ALA 39 -3.014 -20.424 9.513 1.00 5.13 ATOM 661 C ALA 39 -3.493 -23.439 8.138 1.00 31.32 ATOM 662 O ALA 39 -4.449 -23.319 7.373 1.00 61.33 ATOM 663 N GLU 40 -2.539 -24.350 7.969 1.00 35.14 ATOM 664 HN GLU 40 -1.774 -24.379 8.588 1.00 37.41 ATOM 665 CA GLU 40 -2.563 -25.281 6.848 1.00 75.34 ATOM 666 HA GLU 40 -2.594 -24.700 5.938 1.00 4.45 ATOM 667 CB GLU 40 -1.310 -26.158 6.857 1.00 23.31 ATOM 668 HB1 GLU 40 -1.544 -27.142 6.463 1.00 37.41 ATOM 669 HB2 GLU 40 -0.965 -26.273 7.870 1.00 34.14 ATOM 670 CG GLU 40 -0.161 -25.587 6.043 1.00 51.01 ATOM 671 HG1 GLU 40 0.752 -26.079 6.345 1.00 37.41 ATOM 672 HG2 GLU 40 -0.082 -24.539 6.250 1.00 53.10 ATOM 673 CD GLU 40 -0.349 -25.784 4.551 1.00 10.51 ATOM 674 OE1 GLU 40 0.509 -26.440 3.926 1.00 65.03 ATOM 675 OE2 GLU 40 -1.356 -25.281 4.009 1.00 3.53 ATOM 676 C GLU 40 -3.811 -26.158 6.895 1.00 33.41 ATOM 677 O GLU 40 -4.251 -26.688 5.874 1.00 61.42 ATOM 678 N LEU 41 -4.377 -26.308 8.088 1.00 51.53 ATOM 679 HN LEU 41 -3.973 -25.905 8.882 1.00 37.41 ATOM 680 CA LEU 41 -5.575 -27.121 8.270 1.00 5.32 ATOM 681 HA LEU 41 -5.636 -27.847 7.468 1.00 62.02 ATOM 682 CB LEU 41 -5.503 -27.879 9.597 1.00 42.41 ATOM 683 HB1 LEU 41 -6.362 -28.536 9.661 1.00 37.41 ATOM 684 HB2 LEU 41 -5.584 -27.146 10.394 1.00 72.31 ATOM 685 CG LEU 41 -4.236 -28.702 9.832 1.00 0.10 ATOM 686 HG LEU 41 -3.379 -28.176 9.436 1.00 40.03 ATOM 687 CD1 LEU 41 -3.998 -28.902 11.321 1.00 61.03 ATOM 688 HD11 LEU 41 -3.134 -29.528 11.471 1.00 24.44 ATOM 689 HD12 LEU 41 -4.861 -29.376 11.768 1.00 20.53 ATOM 690 HD13 LEU 41 -3.831 -27.944 11.792 1.00 12.15 ATOM 691 CD2 LEU 41 -4.332 -30.044 9.120 1.00 11.44 ATOM 692 HD21 LEU 41 -3.420 -30.604 9.276 1.00 51.10 ATOM 693 HD22 LEU 41 -4.472 -29.883 8.060 1.00 62.21 ATOM 694 HD23 LEU 41 -5.169 -30.606 9.511 1.00 50.13 ATOM 695 C LEU 41 -6.831 -26.256 8.232 1.00 23.34 ATOM 696 O LEU 41 -7.856 -26.609 8.814 1.00 74.35 ATOM 697 N MET 42 -6.743 -25.124 7.543 1.00 42.41 ATOM 698 HN MET 42 -5.921 -24.878 7.084 1.00 37.41 ATOM 699 CA MET 42 -7.874 -24.211 7.427 1.00 40.55 ATOM 700 HA MET 42 -8.723 -24.612 7.968 1.00 52.41 ATOM 701 CB MET 42 -7.526 -22.852 8.038 1.00 24.33 ATOM 702 HB1 MET 42 -8.283 -22.137 7.770 1.00 37.41 ATOM 703 HB2 MET 42 -6.590 -22.520 7.626 1.00 73.40 ATOM 704 CG MET 42 -7.392 -22.884 9.552 1.00 13.12 ATOM 705 HG1 MET 42 -6.682 -22.124 9.843 1.00 37.41 ATOM 706 HG2 MET 42 -7.012 -23.846 9.857 1.00 24.52 ATOM 707 SD MET 42 -8.957 -22.578 10.394 1.00 52.42 ATOM 708 CE MET 42 -8.693 -20.915 11.006 1.00 61.14 ATOM 709 HE1 MET 42 -9.517 -20.631 11.643 1.00 45.41 ATOM 710 HE2 MET 42 -8.630 -20.231 10.173 1.00 43.43 ATOM 711 HE3 MET 42 -7.773 -20.880 11.570 1.00 33.33 ATOM 712 C MET 42 -8.282 -24.034 5.967 1.00 35.34 ATOM 713 O MET 42 -8.104 -22.971 5.372 1.00 34.51 ATOM 714 N PRO 43 -8.843 -25.100 5.376 1.00 11.30 ATOM 715 CA PRO 43 -9.288 -25.087 3.979 1.00 14.35 ATOM 716 HA PRO 43 -8.497 -24.770 3.313 1.00 22.32 ATOM 717 CB PRO 43 -9.633 -26.552 3.703 1.00 30.44 ATOM 718 HB1 PRO 43 -8.771 -27.044 3.277 1.00 37.41 ATOM 719 HB2 PRO 43 -10.467 -26.636 3.016 1.00 53.43 ATOM 720 CG PRO 43 -9.961 -27.123 5.040 1.00 54.50 ATOM 721 HG1 PRO 43 -9.742 -28.181 5.052 1.00 37.41 ATOM 722 HG2 PRO 43 -11.003 -26.952 5.267 1.00 44.13 ATOM 723 CD PRO 43 -9.086 -26.399 6.025 1.00 1.24 ATOM 724 HD1 PRO 43 -8.167 -26.943 6.153 1.00 37.41 ATOM 725 HD2 PRO 43 -9.599 -26.282 6.967 1.00 11.21 ATOM 726 C PRO 43 -10.513 -24.203 3.770 1.00 52.12 ATOM 727 O PRO 43 -11.647 -24.680 3.797 1.00 1.22 ATOM 728 N GLY 44 -10.277 -22.911 3.560 1.00 63.43 ATOM 729 HN GLY 44 -9.352 -22.575 3.547 1.00 37.41 ATOM 730 CA GLY 44 -11.371 -21.982 3.348 1.00 43.30 ATOM 731 HA1 GLY 44 -12.206 -22.487 2.876 1.00 37.41 ATOM 732 HA2 GLY 44 -11.029 -21.199 2.687 1.00 22.32 ATOM 733 C GLY 44 -11.848 -21.344 4.638 1.00 62.51 ATOM 734 O GLY 44 -13.018 -21.463 5.001 1.00 43.22 ATOM 735 N ALA 45 -10.939 -20.668 5.333 1.00 35.03 ATOM 736 HN ALA 45 -10.014 -20.607 5.001 1.00 37.41 ATOM 737 CA ALA 45 -11.274 -20.010 6.590 1.00 51.41 ATOM 738 HA ALA 45 -12.334 -20.137 6.787 1.00 3.24 ATOM 739 CB ALA 45 -10.523 -20.659 7.743 1.00 70.55 ATOM 740 HB1 ALA 45 -10.947 -20.327 8.679 1.00 31.13 ATOM 741 HB2 ALA 45 -9.479 -20.380 7.703 1.00 4.52 ATOM 742 HB3 ALA 45 -10.609 -21.732 7.671 1.00 54.25 ATOM 743 C ALA 45 -10.964 -18.518 6.528 1.00 44.12 ATOM 744 O ALA 45 -9.847 -18.120 6.197 1.00 3.11 ATOM 745 N SER 46 -11.959 -17.697 6.847 1.00 31.21 ATOM 746 HN SER 46 -12.828 -18.073 7.124 1.00 37.41 ATOM 747 CA SER 46 -11.793 -16.249 6.823 1.00 11.41 ATOM 748 HA SER 46 -11.133 -15.990 6.003 1.00 72.31 ATOM 749 CB SER 46 -13.142 -15.563 6.595 1.00 22.25 ATOM 750 HB1 SER 46 -13.421 -15.676 5.557 1.00 37.41 ATOM 751 HB2 SER 46 -13.076 -14.509 6.828 1.00 1.15 ATOM 752 OG SER 46 -14.152 -16.146 7.400 1.00 74.32 ATOM 753 HG SER 46 -14.626 -16.814 6.897 1.00 4.43 ATOM 754 C SER 46 -11.170 -15.752 8.124 1.00 14.52 ATOM 755 O SER 46 -10.946 -16.526 9.054 1.00 43.45 ATOM 756 N GLY 47 -10.894 -14.452 8.182 1.00 24.20 ATOM 757 HN GLY 47 -11.085 -13.872 7.411 1.00 37.41 ATOM 758 CA GLY 47 -10.299 -13.873 9.372 1.00 13.34 ATOM 759 HA1 GLY 47 -10.208 -12.806 9.231 1.00 37.41 ATOM 760 HA2 GLY 47 -9.312 -14.291 9.513 1.00 24.53 ATOM 761 C GLY 47 -11.124 -14.132 10.617 1.00 31.24 ATOM 762 O GLY 47 -10.578 -14.403 11.686 1.00 32.14 ATOM 763 N ALA 48 -12.443 -14.048 10.480 1.00 53.34 ATOM 764 HN ALA 48 -12.826 -13.816 9.601 1.00 37.41 ATOM 765 CA ALA 48 -13.345 -14.276 11.602 1.00 2.20 ATOM 766 HA ALA 48 -13.089 -13.579 12.390 1.00 50.43 ATOM 767 CB ALA 48 -14.783 -14.005 11.187 1.00 74.41 ATOM 768 HB1 ALA 48 -14.862 -12.996 10.811 1.00 65.31 ATOM 769 HB2 ALA 48 -15.436 -14.121 12.040 1.00 44.34 ATOM 770 HB3 ALA 48 -15.076 -14.700 10.412 1.00 32.14 ATOM 771 C ALA 48 -13.205 -15.696 12.138 1.00 31.45 ATOM 772 O ALA 48 -13.378 -15.938 13.333 1.00 41.24 ATOM 773 N GLU 49 -12.892 -16.632 11.248 1.00 71.32 ATOM 774 HN GLU 49 -12.773 -16.387 10.301 1.00 37.41 ATOM 775 CA GLU 49 -12.731 -18.029 11.633 1.00 32.43 ATOM 776 HA GLU 49 -13.559 -18.304 12.277 1.00 13.05 ATOM 777 CB GLU 49 -12.744 -18.928 10.395 1.00 70.01 ATOM 778 HB1 GLU 49 -12.325 -19.897 10.645 1.00 37.41 ATOM 779 HB2 GLU 49 -12.133 -18.480 9.631 1.00 43.15 ATOM 780 CG GLU 49 -14.132 -19.147 9.816 1.00 3.01 ATOM 781 HG1 GLU 49 -14.027 -19.501 8.800 1.00 37.41 ATOM 782 HG2 GLU 49 -14.671 -18.209 9.811 1.00 24.52 ATOM 783 CD GLU 49 -14.937 -20.165 10.600 1.00 63.42 ATOM 784 OE1 GLU 49 -15.059 -21.315 10.127 1.00 2.02 ATOM 785 OE2 GLU 49 -15.444 -19.813 11.685 1.00 75.31 ATOM 786 C GLU 49 -11.434 -18.234 12.410 1.00 44.51 ATOM 787 O GLU 49 -11.375 -19.035 13.343 1.00 45.14 ATOM 788 N VAL 50 -10.395 -17.503 12.018 1.00 42.34 ATOM 789 HN VAL 50 -10.505 -16.869 11.274 1.00 37.41 ATOM 790 CA VAL 50 -9.098 -17.602 12.676 1.00 22.21 ATOM 791 HA VAL 50 -8.765 -18.632 12.613 1.00 53.45 ATOM 792 CB VAL 50 -8.048 -16.711 11.986 1.00 12.43 ATOM 793 HB VAL 50 -8.376 -15.682 12.047 1.00 25.33 ATOM 794 CG1 VAL 50 -6.705 -16.824 12.691 1.00 11.42 ATOM 795 HG11 VAL 50 -6.515 -17.858 12.948 1.00 44.13 ATOM 796 HG12 VAL 50 -6.714 -16.226 13.590 1.00 21.43 ATOM 797 HG13 VAL 50 -5.919 -16.475 12.043 1.00 12.41 ATOM 798 CG2 VAL 50 -7.921 -17.079 10.516 1.00 44.11 ATOM 799 HG21 VAL 50 -8.851 -16.904 10.014 1.00 42.35 ATOM 800 HG22 VAL 50 -7.656 -18.123 10.424 1.00 52.24 ATOM 801 HG23 VAL 50 -7.151 -16.477 10.055 1.00 20.41 ATOM 802 C VAL 50 -9.196 -17.209 14.146 1.00 40.43 ATOM 803 O VAL 50 -8.678 -17.902 15.022 1.00 55.12 ATOM 804 N LYS 51 -9.864 -16.091 14.410 1.00 52.02 ATOM 805 HN LYS 51 -10.248 -15.570 13.665 1.00 37.41 ATOM 806 CA LYS 51 -10.033 -15.604 15.774 1.00 71.13 ATOM 807 HA LYS 51 -9.055 -15.364 16.150 1.00 63.12 ATOM 808 CB LYS 51 -10.897 -14.341 15.783 1.00 72.01 ATOM 809 HB1 LYS 51 -11.945 -14.622 15.776 1.00 37.41 ATOM 810 HB2 LYS 51 -10.688 -13.771 14.887 1.00 33.42 ATOM 811 CG LYS 51 -10.638 -13.435 16.974 1.00 31.55 ATOM 812 HG1 LYS 51 -9.736 -12.876 16.785 1.00 37.41 ATOM 813 HG2 LYS 51 -10.503 -14.035 17.866 1.00 62.24 ATOM 814 CD LYS 51 -11.778 -12.454 17.187 1.00 13.22 ATOM 815 HD1 LYS 51 -12.217 -12.182 16.235 1.00 37.41 ATOM 816 HD2 LYS 51 -11.383 -11.568 17.661 1.00 2.54 ATOM 817 CE LYS 51 -12.858 -13.040 18.083 1.00 15.15 ATOM 818 HE1 LYS 51 -12.510 -13.018 19.105 1.00 37.41 ATOM 819 HE2 LYS 51 -13.052 -14.064 17.791 1.00 62.21 ATOM 820 NZ LYS 51 -14.132 -12.274 17.990 1.00 33.22 ATOM 821 HZ1 LYS 51 -14.848 -12.700 18.613 1.00 11.21 ATOM 822 HZ2 LYS 51 -14.492 -12.286 17.013 1.00 3.20 ATOM 823 HZ3 LYS 51 -13.982 -11.285 18.281 1.00 23.33 ATOM 824 C LYS 51 -10.667 -16.673 16.658 1.00 0.24 ATOM 825 O LYS 51 -10.462 -16.690 17.871 1.00 13.13 ATOM 826 N GLY 52 -11.437 -17.565 16.042 1.00 0.22 ATOM 827 HN GLY 52 -11.627 -17.490 15.084 1.00 37.41 ATOM 828 CA GLY 52 -12.087 -18.625 16.789 1.00 34.33 ATOM 829 HA1 GLY 52 -12.836 -19.080 16.158 1.00 37.41 ATOM 830 HA2 GLY 52 -12.577 -18.208 17.660 1.00 62.33 ATOM 831 C GLY 52 -11.116 -19.699 17.238 1.00 43.24 ATOM 832 O GLY 52 -11.292 -20.303 18.295 1.00 23.45 ATOM 833 N VAL 53 -10.087 -19.939 16.430 1.00 12.52 ATOM 834 HN VAL 53 -9.993 -19.425 15.597 1.00 37.41 ATOM 835 CA VAL 53 -9.084 -20.947 16.749 1.00 21.21 ATOM 836 HA VAL 53 -9.595 -21.867 16.978 1.00 73.14 ATOM 837 CB VAL 53 -8.145 -21.202 15.555 1.00 41.00 ATOM 838 HB VAL 53 -7.641 -20.277 15.310 1.00 15.43 ATOM 839 CG1 VAL 53 -7.090 -22.236 15.916 1.00 22.24 ATOM 840 HG11 VAL 53 -6.456 -21.867 16.706 1.00 70.50 ATOM 841 HG12 VAL 53 -6.479 -22.447 15.048 1.00 62.34 ATOM 842 HG13 VAL 53 -7.572 -23.140 16.233 1.00 35.20 ATOM 843 CG2 VAL 53 -8.941 -21.644 14.336 1.00 12.15 ATOM 844 HG21 VAL 53 -9.471 -22.560 14.558 1.00 20.01 ATOM 845 HG22 VAL 53 -8.267 -21.812 13.514 1.00 10.11 ATOM 846 HG23 VAL 53 -9.649 -20.877 14.061 1.00 12.22 ATOM 847 C VAL 53 -8.251 -20.532 17.957 1.00 52.44 ATOM 848 O VAL 53 -8.140 -21.275 18.932 1.00 12.24 ATOM 849 N CYS 54 -7.668 -19.340 17.884 1.00 34.14 ATOM 850 HN CYS 54 -7.789 -18.797 17.069 1.00 37.41 ATOM 851 CA CYS 54 -6.845 -18.825 18.972 1.00 4.32 ATOM 852 HA CYS 54 -6.044 -19.529 19.151 1.00 64.21 ATOM 853 CB CYS 54 -6.236 -17.476 18.584 1.00 32.42 ATOM 854 HB1 CYS 54 -5.663 -17.598 17.676 1.00 37.41 ATOM 855 HB2 CYS 54 -5.578 -17.140 19.373 1.00 14.24 ATOM 856 SG CYS 54 -7.455 -16.173 18.292 1.00 30.12 ATOM 857 HG CYS 54 -7.483 -15.392 19.362 1.00 70.15 ATOM 858 C CYS 54 -7.663 -18.678 20.251 1.00 24.12 ATOM 859 O CYS 54 -7.150 -18.866 21.355 1.00 64.11 ATOM 860 N THR 55 -8.939 -18.339 20.096 1.00 62.32 ATOM 861 HN THR 55 -9.310 -18.216 19.192 1.00 37.41 ATOM 862 CA THR 55 -9.827 -18.164 21.238 1.00 75.34 ATOM 863 HA THR 55 -9.304 -17.592 21.996 1.00 62.25 ATOM 864 CB THR 55 -11.097 -17.384 20.847 1.00 61.10 ATOM 865 HB THR 55 -11.602 -17.919 20.053 1.00 32.03 ATOM 866 OG1 THR 55 -10.744 -16.078 20.378 1.00 13.33 ATOM 867 HG1 THR 55 -11.433 -15.746 19.796 1.00 34.21 ATOM 868 CG2 THR 55 -12.045 -17.265 22.031 1.00 44.11 ATOM 869 HG21 THR 55 -12.547 -18.207 22.195 1.00 12.34 ATOM 870 HG22 THR 55 -12.781 -16.504 21.819 1.00 72.41 ATOM 871 HG23 THR 55 -11.496 -16.988 22.922 1.00 45.20 ATOM 872 C THR 55 -10.233 -19.509 21.830 1.00 73.03 ATOM 873 O THR 55 -10.333 -19.656 23.047 1.00 33.02 ATOM 874 N GLU 56 -10.465 -20.488 20.960 1.00 12.42 ATOM 875 HN GLU 56 -10.378 -20.311 19.994 1.00 37.41 ATOM 876 CA GLU 56 -10.860 -21.821 21.399 1.00 14.21 ATOM 877 HA GLU 56 -11.660 -21.711 22.109 1.00 41.30 ATOM 878 CB GLU 56 -11.336 -22.654 20.207 1.00 23.32 ATOM 879 HB1 GLU 56 -11.104 -23.699 20.373 1.00 37.41 ATOM 880 HB2 GLU 56 -10.824 -22.322 19.328 1.00 41.11 ATOM 881 CG GLU 56 -12.830 -22.552 19.950 1.00 23.32 ATOM 882 HG1 GLU 56 -13.074 -23.152 19.085 1.00 37.41 ATOM 883 HG2 GLU 56 -13.078 -21.520 19.751 1.00 22.21 ATOM 884 CD GLU 56 -13.658 -23.035 21.125 1.00 11.00 ATOM 885 OE1 GLU 56 -13.445 -24.183 21.569 1.00 45.31 ATOM 886 OE2 GLU 56 -14.519 -22.266 21.600 1.00 14.02 ATOM 887 C GLU 56 -9.704 -22.528 22.100 1.00 62.14 ATOM 888 O GLU 56 -9.893 -23.188 23.121 1.00 11.20 ATOM 889 N ALA 57 -8.506 -22.386 21.542 1.00 40.42 ATOM 890 HN ALA 57 -8.416 -21.861 20.711 1.00 37.41 ATOM 891 CA ALA 57 -7.318 -23.009 22.113 1.00 55.03 ATOM 892 HA ALA 57 -7.422 -24.080 22.014 1.00 53.14 ATOM 893 CB ALA 57 -6.077 -22.583 21.343 1.00 10.42 ATOM 894 HB1 ALA 57 -5.238 -23.179 21.659 1.00 74.41 ATOM 895 HB2 ALA 57 -5.869 -21.537 21.526 1.00 43.53 ATOM 896 HB3 ALA 57 -6.243 -22.734 20.287 1.00 41.45 ATOM 897 C ALA 57 -7.173 -22.662 23.590 1.00 4.43 ATOM 898 O ALA 57 -6.797 -23.506 24.402 1.00 4.23 ATOM 899 N GLY 58 -7.472 -21.412 23.932 1.00 32.03 ATOM 900 HN GLY 58 -7.755 -20.763 23.250 1.00 37.41 ATOM 901 CA GLY 58 -7.367 -20.975 25.312 1.00 31.12 ATOM 902 HA1 GLY 58 -7.448 -19.898 25.339 1.00 37.41 ATOM 903 HA2 GLY 58 -6.401 -21.259 25.709 1.00 51.10 ATOM 904 C GLY 58 -8.453 -21.564 26.191 1.00 1.20 ATOM 905 O GLY 58 -8.294 -21.654 27.408 1.00 34.10 ATOM 906 N MET 59 -9.560 -21.964 25.574 1.00 43.34 ATOM 907 HN MET 59 -9.647 -21.848 24.610 1.00 37.41 ATOM 908 CA MET 59 -10.676 -22.546 26.309 1.00 74.23 ATOM 909 HA MET 59 -10.863 -21.936 27.179 1.00 33.13 ATOM 910 CB MET 59 -11.933 -22.569 25.436 1.00 1.21 ATOM 911 HB1 MET 59 -12.754 -22.970 26.016 1.00 37.41 ATOM 912 HB2 MET 59 -11.761 -23.223 24.594 1.00 3.41 ATOM 913 CG MET 59 -12.321 -21.203 24.894 1.00 10.21 ATOM 914 HG1 MET 59 -12.617 -21.316 23.866 1.00 37.41 ATOM 915 HG2 MET 59 -11.484 -20.526 24.951 1.00 34.43 ATOM 916 SD MET 59 -13.700 -20.465 25.792 1.00 23.32 ATOM 917 CE MET 59 -13.085 -20.535 27.473 1.00 3.20 ATOM 918 HE1 MET 59 -12.114 -20.065 27.521 1.00 55.25 ATOM 919 HE2 MET 59 -13.003 -21.566 27.785 1.00 1.24 ATOM 920 HE3 MET 59 -13.768 -20.015 28.128 1.00 64.22 ATOM 921 C MET 59 -10.342 -23.959 26.775 1.00 21.45 ATOM 922 O MET 59 -10.619 -24.328 27.917 1.00 22.11 ATOM 923 N TYR 60 -9.746 -24.746 25.886 1.00 1.32 ATOM 924 HN TYR 60 -9.554 -24.399 24.982 1.00 37.41 ATOM 925 CA TYR 60 -9.376 -26.119 26.207 1.00 73.33 ATOM 926 HA TYR 60 -10.258 -26.635 26.538 1.00 44.42 ATOM 927 CB TYR 60 -8.829 -26.825 24.965 1.00 25.22 ATOM 928 HB1 TYR 60 -8.394 -27.777 25.252 1.00 37.41 ATOM 929 HB2 TYR 60 -8.055 -26.208 24.530 1.00 72.35 ATOM 930 CG TYR 60 -9.877 -27.095 23.910 1.00 33.41 ATOM 931 CD1 TYR 60 -9.978 -26.293 22.781 1.00 42.35 ATOM 932 HD1 TYR 60 -9.292 -25.469 22.657 1.00 21.45 ATOM 933 CD2 TYR 60 -10.767 -28.154 24.042 1.00 32.35 ATOM 934 HD2 TYR 60 -10.697 -28.796 24.905 1.00 1.05 ATOM 935 CE1 TYR 60 -10.935 -26.536 21.815 1.00 40.44 ATOM 936 HE1 TYR 60 -10.996 -25.900 20.944 1.00 44.13 ATOM 937 CE2 TYR 60 -11.727 -28.406 23.081 1.00 44.42 ATOM 938 HE2 TYR 60 -12.409 -29.234 23.203 1.00 22.53 ATOM 939 CZ TYR 60 -11.807 -27.593 21.969 1.00 62.20 ATOM 940 OH TYR 60 -12.761 -27.839 21.008 1.00 22.33 ATOM 941 HH TYR 60 -13.589 -27.485 21.320 1.00 44.53 ATOM 942 C TYR 60 -8.340 -26.158 27.326 1.00 13.30 ATOM 943 O TYR 60 -8.380 -27.029 28.194 1.00 60.21 ATOM 944 N ALA 61 -7.414 -25.205 27.299 1.00 61.23 ATOM 945 HN ALA 61 -7.424 -24.535 26.575 1.00 37.41 ATOM 946 CA ALA 61 -6.368 -25.127 28.311 1.00 34.24 ATOM 947 HA ALA 61 -5.932 -26.112 28.430 1.00 4.12 ATOM 948 CB ALA 61 -5.265 -24.183 27.859 1.00 44.12 ATOM 949 HB1 ALA 61 -4.468 -24.177 28.590 1.00 22.21 ATOM 950 HB2 ALA 61 -5.663 -23.184 27.750 1.00 71.13 ATOM 951 HB3 ALA 61 -4.875 -24.518 26.909 1.00 30.34 ATOM 952 C ALA 61 -6.936 -24.676 29.653 1.00 72.01 ATOM 953 O ALA 61 -6.593 -25.225 30.700 1.00 23.55 ATOM 954 N LEU 62 -7.806 -23.673 29.614 1.00 3.54 ATOM 955 HN LEU 62 -8.036 -23.263 28.746 1.00 37.41 ATOM 956 CA LEU 62 -8.421 -23.147 30.828 1.00 52.50 ATOM 957 HA LEU 62 -7.633 -22.769 31.467 1.00 53.13 ATOM 958 CB LEU 62 -9.380 -22.005 30.484 1.00 45.02 ATOM 959 HB1 LEU 62 -10.132 -21.927 31.264 1.00 37.41 ATOM 960 HB2 LEU 62 -9.888 -22.273 29.564 1.00 4.43 ATOM 961 CG LEU 62 -8.743 -20.627 30.301 1.00 53.35 ATOM 962 HG LEU 62 -7.828 -20.728 29.733 1.00 30.12 ATOM 963 CD1 LEU 62 -9.673 -19.709 29.522 1.00 41.11 ATOM 964 HD11 LEU 62 -10.594 -19.570 30.072 1.00 11.23 ATOM 965 HD12 LEU 62 -9.894 -20.147 28.559 1.00 41.13 ATOM 966 HD13 LEU 62 -9.196 -18.750 29.374 1.00 23.25 ATOM 967 CD2 LEU 62 -8.395 -20.016 31.650 1.00 34.13 ATOM 968 HD21 LEU 62 -9.295 -19.890 32.237 1.00 13.23 ATOM 969 HD22 LEU 62 -7.925 -19.053 31.502 1.00 30.24 ATOM 970 HD23 LEU 62 -7.711 -20.667 32.177 1.00 43.10 ATOM 971 C LEU 62 -9.168 -24.244 31.579 1.00 13.23 ATOM 972 O LEU 62 -8.965 -24.438 32.778 1.00 62.22 ATOM 973 N ARG 63 -10.032 -24.960 30.866 1.00 2.53 ATOM 974 HN ARG 63 -10.151 -24.757 29.907 1.00 37.41 ATOM 975 CA ARG 63 -10.808 -26.038 31.465 1.00 33.24 ATOM 976 HA ARG 63 -11.388 -25.624 32.279 1.00 2.01 ATOM 977 CB ARG 63 -11.766 -26.639 30.435 1.00 61.21 ATOM 978 HB1 ARG 63 -12.385 -25.843 30.052 1.00 37.41 ATOM 979 HB2 ARG 63 -12.396 -27.366 30.934 1.00 1.33 ATOM 980 CG ARG 63 -11.061 -27.302 29.263 1.00 72.52 ATOM 981 HG1 ARG 63 -10.192 -27.839 29.602 1.00 37.41 ATOM 982 HG2 ARG 63 -10.760 -26.544 28.575 1.00 31.13 ATOM 983 CD ARG 63 -11.972 -28.292 28.553 1.00 23.42 ATOM 984 HD1 ARG 63 -12.890 -28.439 29.109 1.00 37.41 ATOM 985 HD2 ARG 63 -11.452 -29.238 28.495 1.00 1.10 ATOM 986 NE ARG 63 -12.287 -27.867 27.192 1.00 30.40 ATOM 987 HE ARG 63 -11.789 -28.284 26.475 1.00 72.11 ATOM 988 CZ ARG 63 -13.214 -26.962 26.901 1.00 35.01 ATOM 989 NH1 ARG 63 -13.914 -26.389 27.871 1.00 23.10 ATOM 990 HH11 ARG 63 -13.781 -26.623 28.818 1.00 74.40 ATOM 991 HH12 ARG 63 -14.600 -25.696 27.638 1.00 3.33 ATOM 992 NH2 ARG 63 -13.444 -26.628 25.638 1.00 43.44 ATOM 993 HH21 ARG 63 -12.935 -27.046 24.910 1.00 74.22 ATOM 994 HH22 ARG 63 -14.143 -25.943 25.420 1.00 62.43 ATOM 995 C ARG 63 -9.892 -27.125 32.019 1.00 62.42 ATOM 996 O ARG 63 -10.271 -27.868 32.924 1.00 3.31 ATOM 997 N GLU 64 -8.685 -27.213 31.467 1.00 13.54 ATOM 998 HN GLU 64 -8.442 -26.633 30.718 1.00 37.41 ATOM 999 CA GLU 64 -7.716 -28.210 31.905 1.00 31.15 ATOM 1000 HA GLU 64 -8.246 -29.048 32.347 1.00 2.23 ATOM 1001 CB GLU 64 -6.902 -28.720 30.715 1.00 41.15 ATOM 1002 HB1 GLU 64 -6.010 -29.219 31.078 1.00 37.41 ATOM 1003 HB2 GLU 64 -6.606 -27.878 30.107 1.00 21.21 ATOM 1004 CG GLU 64 -7.660 -29.698 29.833 1.00 52.33 ATOM 1005 HG1 GLU 64 -8.364 -29.155 29.228 1.00 37.41 ATOM 1006 HG2 GLU 64 -8.196 -30.397 30.461 1.00 52.13 ATOM 1007 CD GLU 64 -6.745 -30.492 28.922 1.00 61.53 ATOM 1008 OE1 GLU 64 -5.674 -29.966 28.552 1.00 32.30 ATOM 1009 OE2 GLU 64 -7.099 -31.640 28.578 1.00 1.42 ATOM 1010 C GLU 64 -6.782 -27.632 32.964 1.00 24.35 ATOM 1011 O GLU 64 -5.708 -28.176 33.223 1.00 21.23 ATOM 1012 N ARG 65 -7.198 -26.527 33.573 1.00 51.41 ATOM 1013 HN ARG 65 -8.051 -26.119 33.351 1.00 37.41 ATOM 1014 CA ARG 65 -6.398 -25.874 34.602 1.00 15.53 ATOM 1015 HA ARG 65 -6.854 -24.923 34.824 1.00 31.33 ATOM 1016 CB ARG 65 -6.369 -26.726 35.873 1.00 53.55 ATOM 1017 HB1 ARG 65 -5.870 -26.173 36.657 1.00 37.41 ATOM 1018 HB2 ARG 65 -5.812 -27.634 35.676 1.00 41.25 ATOM 1019 CG ARG 65 -7.749 -27.127 36.369 1.00 42.15 ATOM 1020 HG1 ARG 65 -7.634 -27.794 37.211 1.00 37.41 ATOM 1021 HG2 ARG 65 -8.282 -27.636 35.580 1.00 55.44 ATOM 1022 CD ARG 65 -8.556 -25.916 36.811 1.00 62.33 ATOM 1023 HD1 ARG 65 -9.574 -26.234 36.982 1.00 37.41 ATOM 1024 HD2 ARG 65 -8.550 -25.172 36.029 1.00 34.30 ATOM 1025 NE ARG 65 -8.039 -25.336 38.047 1.00 32.04 ATOM 1026 HE ARG 65 -7.380 -25.859 38.562 1.00 75.53 ATOM 1027 CZ ARG 65 -8.411 -24.149 38.514 1.00 73.31 ATOM 1028 NH1 ARG 65 -9.298 -23.421 37.850 1.00 15.14 ATOM 1029 HH11 ARG 65 -9.705 -23.741 36.998 1.00 50.50 ATOM 1030 HH12 ARG 65 -9.570 -22.526 38.209 1.00 21.15 ATOM 1031 NH2 ARG 65 -7.896 -23.689 39.647 1.00 72.21 ATOM 1032 HH21 ARG 65 -7.225 -24.235 40.154 1.00 14.40 ATOM 1033 HH22 ARG 65 -8.175 -22.794 40.001 1.00 23.11 ATOM 1034 C ARG 65 -4.976 -25.626 34.110 1.00 65.30 ATOM 1035 O ARG 65 -4.028 -25.622 34.896 1.00 30.51 ATOM 1036 N ARG 66 -4.834 -25.421 32.805 1.00 42.24 ATOM 1037 HN ARG 66 -5.623 -25.367 32.224 1.00 37.41 ATOM 1038 CA ARG 66 -3.527 -25.175 32.207 1.00 2.34 ATOM 1039 HA ARG 66 -2.755 -25.511 32.894 1.00 44.42 ATOM 1040 CB ARG 66 -3.385 -25.955 30.899 1.00 11.02 ATOM 1041 HB1 ARG 66 -2.549 -25.548 30.338 1.00 37.41 ATOM 1042 HB2 ARG 66 -4.284 -25.833 30.317 1.00 22.24 ATOM 1043 CG ARG 66 -3.148 -27.443 31.100 1.00 2.21 ATOM 1044 HG1 ARG 66 -4.106 -27.937 31.179 1.00 37.41 ATOM 1045 HG2 ARG 66 -2.583 -27.602 32.010 1.00 1.53 ATOM 1046 CD ARG 66 -2.370 -28.044 29.940 1.00 31.51 ATOM 1047 HD1 ARG 66 -1.318 -27.956 30.171 1.00 37.41 ATOM 1048 HD2 ARG 66 -2.587 -27.498 29.029 1.00 61.42 ATOM 1049 NE ARG 66 -2.704 -29.450 29.728 1.00 24.43 ATOM 1050 HE ARG 66 -3.544 -29.789 30.118 1.00 12.32 ATOM 1051 CZ ARG 66 -1.942 -30.290 29.035 1.00 15.11 ATOM 1052 NH1 ARG 66 -0.810 -29.867 28.490 1.00 20.53 ATOM 1053 HH11 ARG 66 -0.506 -28.922 28.580 1.00 54.13 ATOM 1054 HH12 ARG 66 -0.241 -30.510 27.973 1.00 60.01 ATOM 1055 NH2 ARG 66 -2.313 -31.555 28.886 1.00 35.24 ATOM 1056 HH21 ARG 66 -3.168 -31.881 29.295 1.00 74.41 ATOM 1057 HH22 ARG 66 -1.740 -32.190 28.364 1.00 72.14 ATOM 1058 C ARG 66 -3.319 -23.685 31.949 1.00 70.32 ATOM 1059 O ARG 66 -4.277 -22.941 31.743 1.00 54.53 ATOM 1060 N VAL 67 -2.061 -23.258 31.962 1.00 45.52 ATOM 1061 HN VAL 67 -1.334 -23.894 32.157 1.00 37.41 ATOM 1062 CA VAL 67 -1.726 -21.858 31.728 1.00 14.32 ATOM 1063 HA VAL 67 -2.635 -21.264 31.741 1.00 22.44 ATOM 1064 CB VAL 67 -0.793 -21.313 32.826 1.00 51.23 ATOM 1065 HB VAL 67 0.125 -21.885 32.813 1.00 33.31 ATOM 1066 CG1 VAL 67 -0.448 -19.856 32.559 1.00 52.45 ATOM 1067 HG11 VAL 67 -0.061 -19.396 33.460 1.00 51.52 ATOM 1068 HG12 VAL 67 -1.326 -19.313 32.233 1.00 42.23 ATOM 1069 HG13 VAL 67 0.308 -19.810 31.798 1.00 41.23 ATOM 1070 CG2 VAL 67 -1.432 -21.475 34.197 1.00 63.53 ATOM 1071 HG21 VAL 67 -1.622 -22.522 34.389 1.00 73.31 ATOM 1072 HG22 VAL 67 -2.364 -20.929 34.232 1.00 73.03 ATOM 1073 HG23 VAL 67 -0.764 -21.091 34.956 1.00 64.23 ATOM 1074 C VAL 67 -1.059 -21.671 30.370 1.00 33.12 ATOM 1075 O VAL 67 -1.110 -20.589 29.785 1.00 54.13 ATOM 1076 N HIS 68 -0.433 -22.733 29.873 1.00 34.54 ATOM 1077 HN HIS 68 -0.439 -23.579 30.363 1.00 37.41 ATOM 1078 CA HIS 68 0.244 -22.687 28.582 1.00 32.44 ATOM 1079 HA HIS 68 0.303 -21.663 28.255 1.00 10.02 ATOM 1080 CB HIS 68 1.668 -23.229 28.710 1.00 0.42 ATOM 1081 HB1 HIS 68 2.270 -22.500 29.233 1.00 37.41 ATOM 1082 HB2 HIS 68 2.091 -23.392 27.727 1.00 62.12 ATOM 1083 CG HIS 68 1.753 -24.517 29.470 1.00 44.42 ATOM 1084 ND1 HIS 68 1.972 -24.575 30.830 1.00 31.01 ATOM 1085 HD1 HIS 68 2.092 -23.805 31.424 1.00 61.32 ATOM 1086 CD2 HIS 68 1.647 -25.800 29.052 1.00 55.40 ATOM 1087 HD2 HIS 68 1.473 -26.131 28.038 1.00 33.02 ATOM 1088 CE1 HIS 68 1.998 -25.838 31.216 1.00 75.32 ATOM 1089 HE1 HIS 68 2.152 -26.187 32.226 1.00 64.15 ATOM 1090 NE2 HIS 68 1.802 -26.602 30.156 1.00 41.43 ATOM 1091 HE2 HIS 68 1.868 -27.580 30.144 1.00 37.41 ATOM 1092 C HIS 68 -0.526 -23.489 27.536 1.00 4.45 ATOM 1093 O HIS 68 -0.961 -24.611 27.796 1.00 50.43 ATOM 1094 N VAL 69 -0.690 -22.905 26.354 1.00 50.33 ATOM 1095 HN VAL 69 -0.312 -22.010 26.198 1.00 37.41 ATOM 1096 CA VAL 69 -1.406 -23.564 25.269 1.00 75.15 ATOM 1097 HA VAL 69 -2.139 -24.241 25.701 1.00 11.41 ATOM 1098 CB VAL 69 -2.164 -22.546 24.396 1.00 41.23 ATOM 1099 HB VAL 69 -1.449 -21.926 23.880 1.00 33.12 ATOM 1100 CG1 VAL 69 -2.999 -23.260 23.344 1.00 65.32 ATOM 1101 HG11 VAL 69 -3.645 -23.987 23.817 1.00 73.14 ATOM 1102 HG12 VAL 69 -2.355 -23.754 22.634 1.00 5.53 ATOM 1103 HG13 VAL 69 -3.604 -22.536 22.818 1.00 44.04 ATOM 1104 CG2 VAL 69 -3.036 -21.648 25.260 1.00 3.24 ATOM 1105 HG21 VAL 69 -3.736 -22.251 25.822 1.00 75.12 ATOM 1106 HG22 VAL 69 -3.583 -20.959 24.632 1.00 4.21 ATOM 1107 HG23 VAL 69 -2.417 -21.086 25.944 1.00 2.40 ATOM 1108 C VAL 69 -0.454 -24.363 24.387 1.00 63.42 ATOM 1109 O VAL 69 0.695 -23.971 24.179 1.00 22.31 ATOM 1110 N THR 70 -0.938 -25.488 23.869 1.00 51.24 ATOM 1111 HN THR 70 -1.867 -25.752 24.059 1.00 37.41 ATOM 1112 CA THR 70 -0.130 -26.344 23.009 1.00 10.33 ATOM 1113 HA THR 70 0.890 -25.976 22.990 1.00 34.44 ATOM 1114 CB THR 70 -0.091 -27.791 23.535 1.00 62.11 ATOM 1115 HB THR 70 0.602 -28.362 22.932 1.00 33.32 ATOM 1116 OG1 THR 70 -1.391 -28.383 23.439 1.00 53.45 ATOM 1117 HG1 THR 70 -2.027 -27.918 23.997 1.00 2.33 ATOM 1118 CG2 THR 70 0.384 -27.829 24.980 1.00 75.42 ATOM 1119 HG21 THR 70 0.438 -28.855 25.311 1.00 10.45 ATOM 1120 HG22 THR 70 -0.311 -27.288 25.606 1.00 1.23 ATOM 1121 HG23 THR 70 1.363 -27.377 25.054 1.00 52.32 ATOM 1122 C THR 70 -0.662 -26.348 21.581 1.00 71.12 ATOM 1123 O THR 70 -1.819 -26.006 21.340 1.00 74.24 ATOM 1124 N GLN 71 0.190 -26.738 20.638 1.00 12.11 ATOM 1125 HN GLN 71 1.108 -26.997 20.895 1.00 37.41 ATOM 1126 CA GLN 71 -0.196 -26.786 19.233 1.00 73.31 ATOM 1127 HA GLN 71 -0.361 -25.772 18.898 1.00 62.14 ATOM 1128 CB GLN 71 0.923 -27.408 18.396 1.00 73.42 ATOM 1129 HB1 GLN 71 1.219 -28.340 18.858 1.00 37.41 ATOM 1130 HB2 GLN 71 1.769 -26.741 18.384 1.00 75.44 ATOM 1131 CG GLN 71 0.519 -27.696 16.959 1.00 64.24 ATOM 1132 HG1 GLN 71 0.256 -26.764 16.485 1.00 37.41 ATOM 1133 HG2 GLN 71 -0.334 -28.357 16.951 1.00 24.54 ATOM 1134 CD GLN 71 1.624 -28.366 16.166 1.00 71.35 ATOM 1135 OE1 GLN 71 2.074 -29.460 16.508 1.00 21.00 ATOM 1136 NE2 GLN 71 2.067 -27.712 15.098 1.00 21.32 ATOM 1137 HE21 GLN 71 1.673 -26.841 14.867 1.00 3.34 ATOM 1138 HE22 GLN 71 2.780 -28.133 14.575 1.00 40.21 ATOM 1139 C GLN 71 -1.486 -27.580 19.050 1.00 63.03 ATOM 1140 O GLN 71 -2.362 -27.188 18.280 1.00 33.03 ATOM 1141 N GLU 72 -1.593 -28.698 19.762 1.00 52.43 ATOM 1142 HN GLU 72 -0.850 -28.974 20.350 1.00 37.41 ATOM 1143 CA GLU 72 -2.776 -29.546 19.676 1.00 63.53 ATOM 1144 HA GLU 72 -2.802 -29.976 18.694 1.00 34.31 ATOM 1145 CB GLU 72 -2.695 -30.677 20.703 1.00 23.42 ATOM 1146 HB1 GLU 72 -3.681 -31.110 20.837 1.00 37.41 ATOM 1147 HB2 GLU 72 -2.362 -30.269 21.647 1.00 64.23 ATOM 1148 CG GLU 72 -1.745 -31.795 20.305 1.00 54.11 ATOM 1149 HG1 GLU 72 -0.748 -31.388 20.219 1.00 37.41 ATOM 1150 HG2 GLU 72 -2.055 -32.191 19.349 1.00 3.14 ATOM 1151 CD GLU 72 -1.724 -32.929 21.311 1.00 12.13 ATOM 1152 OE1 GLU 72 -2.815 -33.408 21.687 1.00 24.02 ATOM 1153 OE2 GLU 72 -0.618 -33.337 21.723 1.00 13.22 ATOM 1154 C GLU 72 -4.047 -28.732 19.898 1.00 31.51 ATOM 1155 O GLU 72 -5.034 -28.894 19.180 1.00 60.10 ATOM 1156 N ASP 73 -4.015 -27.858 20.898 1.00 74.41 ATOM 1157 HN ASP 73 -3.199 -27.779 21.448 1.00 37.41 ATOM 1158 CA ASP 73 -5.164 -27.018 21.216 1.00 72.23 ATOM 1159 HA ASP 73 -6.009 -27.666 21.406 1.00 14.34 ATOM 1160 CB ASP 73 -4.874 -26.166 22.452 1.00 24.54 ATOM 1161 HB1 ASP 73 -5.432 -25.239 22.400 1.00 37.41 ATOM 1162 HB2 ASP 73 -3.826 -25.937 22.503 1.00 11.33 ATOM 1163 CG ASP 73 -5.267 -26.863 23.740 1.00 4.14 ATOM 1164 OD1 ASP 73 -4.604 -26.621 24.771 1.00 72.41 ATOM 1165 OD2 ASP 73 -6.236 -27.650 23.718 1.00 71.12 ATOM 1166 C ASP 73 -5.523 -26.119 20.037 1.00 61.34 ATOM 1167 O ASP 73 -6.696 -25.837 19.792 1.00 71.00 ATOM 1168 N PHE 74 -4.505 -25.672 19.309 1.00 3.43 ATOM 1169 HN PHE 74 -3.586 -25.913 19.560 1.00 37.41 ATOM 1170 CA PHE 74 -4.712 -24.803 18.157 1.00 53.42 ATOM 1171 HA PHE 74 -5.383 -24.003 18.451 1.00 20.22 ATOM 1172 CB PHE 74 -3.382 -24.203 17.697 1.00 3.24 ATOM 1173 HB1 PHE 74 -3.410 -24.030 16.629 1.00 37.41 ATOM 1174 HB2 PHE 74 -2.581 -24.895 17.904 1.00 74.41 ATOM 1175 CG PHE 74 -3.049 -22.899 18.366 1.00 72.52 ATOM 1176 CD1 PHE 74 -2.480 -22.879 19.629 1.00 30.10 ATOM 1177 HD1 PHE 74 -2.274 -23.811 20.137 1.00 54.14 ATOM 1178 CD2 PHE 74 -3.305 -21.695 17.731 1.00 51.11 ATOM 1179 HD2 PHE 74 -3.750 -21.695 16.746 1.00 20.21 ATOM 1180 CE1 PHE 74 -2.174 -21.681 20.247 1.00 62.15 ATOM 1181 HE1 PHE 74 -1.744 -21.684 21.233 1.00 50.41 ATOM 1182 CE2 PHE 74 -3.001 -20.494 18.343 1.00 3.24 ATOM 1183 HE2 PHE 74 -3.205 -19.562 17.836 1.00 61.23 ATOM 1184 CZ PHE 74 -2.433 -20.487 19.602 1.00 33.15 ATOM 1185 HZ PHE 74 -2.195 -19.550 20.083 1.00 13.10 ATOM 1186 C PHE 74 -5.361 -25.569 17.008 1.00 52.22 ATOM 1187 O PHE 74 -6.412 -25.176 16.502 1.00 31.12 ATOM 1188 N GLU 75 -4.726 -26.664 16.601 1.00 12.31 ATOM 1189 HN GLU 75 -3.877 -26.907 17.036 1.00 37.41 ATOM 1190 CA GLU 75 -5.241 -27.484 15.511 1.00 20.10 ATOM 1191 HA GLU 75 -5.349 -26.855 14.637 1.00 63.04 ATOM 1192 CB GLU 75 -4.260 -28.613 15.186 1.00 55.23 ATOM 1193 HB1 GLU 75 -3.350 -28.194 14.806 1.00 37.41 ATOM 1194 HB2 GLU 75 -4.694 -29.242 14.418 1.00 62.12 ATOM 1195 CG GLU 75 -3.914 -29.482 16.383 1.00 72.23 ATOM 1196 HG1 GLU 75 -4.815 -29.793 16.884 1.00 37.41 ATOM 1197 HG2 GLU 75 -3.312 -28.910 17.052 1.00 45.50 ATOM 1198 CD GLU 75 -3.138 -30.726 15.995 1.00 1.14 ATOM 1199 OE1 GLU 75 -3.743 -31.818 15.963 1.00 0.45 ATOM 1200 OE2 GLU 75 -1.925 -30.607 15.724 1.00 43.51 ATOM 1201 C GLU 75 -6.605 -28.068 15.867 1.00 54.43 ATOM 1202 O GLU 75 -7.455 -28.260 14.998 1.00 72.32 ATOM 1203 N MET 76 -6.806 -28.347 17.150 1.00 15.04 ATOM 1204 HN MET 76 -6.084 -28.191 17.802 1.00 37.41 ATOM 1205 CA MET 76 -8.067 -28.908 17.622 1.00 54.14 ATOM 1206 HA MET 76 -8.249 -29.816 17.066 1.00 43.01 ATOM 1207 CB MET 76 -7.986 -29.216 19.118 1.00 64.42 ATOM 1208 HB1 MET 76 -8.949 -29.046 19.579 1.00 37.41 ATOM 1209 HB2 MET 76 -7.281 -28.544 19.581 1.00 45.34 ATOM 1210 CG MET 76 -7.555 -30.642 19.422 1.00 72.23 ATOM 1211 HG1 MET 76 -7.387 -30.732 20.485 1.00 37.41 ATOM 1212 HG2 MET 76 -6.634 -30.851 18.897 1.00 70.10 ATOM 1213 SD MET 76 -8.790 -31.860 18.930 1.00 71.35 ATOM 1214 CE MET 76 -10.197 -31.329 19.903 1.00 42.45 ATOM 1215 HE1 MET 76 -10.631 -30.446 19.458 1.00 74.01 ATOM 1216 HE2 MET 76 -9.874 -31.103 20.909 1.00 70.24 ATOM 1217 HE3 MET 76 -10.934 -32.118 19.930 1.00 42.05 ATOM 1218 C MET 76 -9.223 -27.950 17.350 1.00 35.44 ATOM 1219 O MET 76 -10.247 -28.342 16.791 1.00 52.54 ATOM 1220 N ALA 77 -9.053 -26.695 17.751 1.00 4.13 ATOM 1221 HN ALA 77 -8.210 -26.442 18.200 1.00 37.41 ATOM 1222 CA ALA 77 -10.081 -25.682 17.550 1.00 51.13 ATOM 1223 HA ALA 77 -10.962 -25.982 18.102 1.00 61.21 ATOM 1224 CB ALA 77 -9.616 -24.341 18.099 1.00 35.44 ATOM 1225 HB1 ALA 77 -8.675 -24.080 17.652 1.00 24.23 ATOM 1226 HB2 ALA 77 -9.494 -24.414 19.168 1.00 50.53 ATOM 1227 HB3 ALA 77 -10.348 -23.589 17.865 1.00 12.43 ATOM 1228 C ALA 77 -10.444 -25.554 16.074 1.00 4.30 ATOM 1229 O ALA 77 -11.592 -25.278 15.728 1.00 15.02 ATOM 1230 N VAL 78 -9.456 -25.755 15.207 1.00 11.21 ATOM 1231 HN VAL 78 -8.558 -25.978 15.539 1.00 37.41 ATOM 1232 CA VAL 78 -9.671 -25.662 13.768 1.00 34.01 ATOM 1233 HA VAL 78 -10.064 -24.676 13.547 1.00 3.24 ATOM 1234 CB VAL 78 -8.354 -25.843 12.991 1.00 50.33 ATOM 1235 HB VAL 78 -7.950 -26.815 13.215 1.00 32.42 ATOM 1236 CG1 VAL 78 -8.605 -25.776 11.492 1.00 62.21 ATOM 1237 HG11 VAL 78 -8.797 -26.775 11.128 1.00 60.35 ATOM 1238 HG12 VAL 78 -7.743 -25.380 10.981 1.00 2.23 ATOM 1239 HG13 VAL 78 -9.466 -25.162 11.283 1.00 61.11 ATOM 1240 CG2 VAL 78 -7.337 -24.795 13.416 1.00 3.24 ATOM 1241 HG21 VAL 78 -7.696 -23.815 13.145 1.00 14.35 ATOM 1242 HG22 VAL 78 -6.398 -24.981 12.915 1.00 15.15 ATOM 1243 HG23 VAL 78 -7.182 -24.835 14.471 1.00 22.44 ATOM 1244 C VAL 78 -10.676 -26.707 13.294 1.00 3.52 ATOM 1245 O VAL 78 -11.561 -26.412 12.492 1.00 62.05 ATOM 1246 N ALA 79 -10.532 -27.928 13.797 1.00 32.30 ATOM 1247 HN ALA 79 -9.799 -28.108 14.433 1.00 37.41 ATOM 1248 CA ALA 79 -11.428 -29.017 13.427 1.00 14.32 ATOM 1249 HA ALA 79 -11.460 -29.081 12.346 1.00 33.45 ATOM 1250 CB ALA 79 -10.897 -30.341 13.956 1.00 41.22 ATOM 1251 HB1 ALA 79 -10.872 -30.318 15.037 1.00 25.02 ATOM 1252 HB2 ALA 79 -9.898 -30.502 13.579 1.00 43.41 ATOM 1253 HB3 ALA 79 -11.537 -31.148 13.627 1.00 61.42 ATOM 1254 C ALA 79 -12.840 -28.766 13.947 1.00 51.04 ATOM 1255 O ALA 79 -13.816 -29.274 13.394 1.00 42.14 ATOM 1256 N LYS 80 -12.942 -27.980 15.013 1.00 32.10 ATOM 1257 HN LYS 80 -12.134 -27.612 15.432 1.00 37.41 ATOM 1258 CA LYS 80 -14.235 -27.661 15.608 1.00 45.22 ATOM 1259 HA LYS 80 -14.892 -28.516 15.494 1.00 31.31 ATOM 1260 CB LYS 80 -14.074 -27.371 17.102 1.00 61.30 ATOM 1261 HB1 LYS 80 -13.387 -26.545 17.224 1.00 37.41 ATOM 1262 HB2 LYS 80 -13.646 -28.247 17.567 1.00 70.22 ATOM 1263 CG LYS 80 -15.377 -27.012 17.795 1.00 24.14 ATOM 1264 HG1 LYS 80 -16.192 -27.580 17.360 1.00 37.41 ATOM 1265 HG2 LYS 80 -15.563 -25.957 17.653 1.00 52.33 ATOM 1266 CD LYS 80 -15.311 -27.296 19.287 1.00 72.23 ATOM 1267 HD1 LYS 80 -16.161 -26.827 19.763 1.00 37.41 ATOM 1268 HD2 LYS 80 -14.409 -26.872 19.681 1.00 51.23 ATOM 1269 CE LYS 80 -15.353 -28.790 19.572 1.00 54.40 ATOM 1270 HE1 LYS 80 -14.372 -29.205 19.397 1.00 37.41 ATOM 1271 HE2 LYS 80 -16.068 -29.265 18.911 1.00 30.22 ATOM 1272 NZ LYS 80 -15.751 -29.075 20.979 1.00 41.45 ATOM 1273 HZ1 LYS 80 -15.819 -30.103 21.123 1.00 20.35 ATOM 1274 HZ2 LYS 80 -16.679 -28.651 21.187 1.00 41.21 ATOM 1275 HZ3 LYS 80 -15.055 -28.694 21.644 1.00 41.13 ATOM 1276 C LYS 80 -14.872 -26.462 14.913 1.00 71.03 ATOM 1277 O LYS 80 -16.092 -26.398 14.758 1.00 63.04 ATOM 1278 N VAL 81 -14.039 -25.514 14.495 1.00 72.15 ATOM 1279 HN VAL 81 -13.071 -25.609 14.650 1.00 37.41 ATOM 1280 CA VAL 81 -14.522 -24.319 13.813 1.00 4.34 ATOM 1281 HA VAL 81 -15.434 -23.988 14.301 1.00 65.31 ATOM 1282 CB VAL 81 -13.494 -23.174 13.893 1.00 12.04 ATOM 1283 HB VAL 81 -12.584 -23.493 13.403 1.00 11.43 ATOM 1284 CG1 VAL 81 -14.014 -21.939 13.174 1.00 43.33 ATOM 1285 HG11 VAL 81 -15.028 -21.724 13.486 1.00 62.42 ATOM 1286 HG12 VAL 81 -13.990 -22.118 12.117 1.00 2.41 ATOM 1287 HG13 VAL 81 -13.382 -21.089 13.398 1.00 15.42 ATOM 1288 CG2 VAL 81 -13.163 -22.856 15.344 1.00 70.32 ATOM 1289 HG21 VAL 81 -13.888 -22.156 15.742 1.00 30.23 ATOM 1290 HG22 VAL 81 -12.182 -22.411 15.394 1.00 62.44 ATOM 1291 HG23 VAL 81 -13.176 -23.745 15.950 1.00 11.12 ATOM 1292 C VAL 81 -14.831 -24.608 12.349 1.00 40.22 ATOM 1293 O VAL 81 -15.732 -24.007 11.764 1.00 43.10 ATOM 1294 N MET 82 -14.078 -25.533 11.762 1.00 11.51 ATOM 1295 HN MET 82 -13.362 -25.980 12.269 1.00 37.41 ATOM 1296 CA MET 82 -14.273 -25.903 10.365 1.00 13.11 ATOM 1297 HA MET 82 -14.772 -25.094 9.851 1.00 33.35 ATOM 1298 CB MET 82 -12.925 -26.159 9.690 1.00 44.42 ATOM 1299 HB1 MET 82 -13.090 -26.482 8.670 1.00 37.41 ATOM 1300 HB2 MET 82 -12.413 -26.947 10.225 1.00 31.34 ATOM 1301 CG MET 82 -12.016 -24.940 9.666 1.00 72.02 ATOM 1302 HG1 MET 82 -11.056 -25.233 9.267 1.00 37.41 ATOM 1303 HG2 MET 82 -11.888 -24.578 10.676 1.00 12.41 ATOM 1304 SD MET 82 -12.676 -23.602 8.653 1.00 1.23 ATOM 1305 CE MET 82 -12.418 -24.263 7.009 1.00 50.13 ATOM 1306 HE1 MET 82 -12.969 -25.185 6.900 1.00 14.15 ATOM 1307 HE2 MET 82 -11.366 -24.453 6.858 1.00 60.42 ATOM 1308 HE3 MET 82 -12.763 -23.551 6.277 1.00 32.50 ATOM 1309 C MET 82 -15.156 -27.141 10.249 1.00 31.54 ATOM 1310 O MET 82 -15.832 -27.340 9.240 1.00 10.13 ATOM 1311 N GLN 83 -15.144 -27.970 11.288 1.00 31.52 ATOM 1312 HN GLN 83 -14.581 -27.784 12.067 1.00 37.41 ATOM 1313 CA GLN 83 -15.943 -29.190 11.301 1.00 53.11 ATOM 1314 HA GLN 83 -15.765 -29.702 12.231 1.00 60.43 ATOM 1315 CB GLN 83 -17.432 -28.850 11.208 1.00 21.25 ATOM 1316 HB1 GLN 83 -18.000 -29.766 11.309 1.00 37.41 ATOM 1317 HB2 GLN 83 -17.647 -28.413 10.245 1.00 35.11 ATOM 1318 CG GLN 83 -17.903 -27.884 12.284 1.00 74.35 ATOM 1319 HG1 GLN 83 -17.400 -26.938 12.146 1.00 37.41 ATOM 1320 HG2 GLN 83 -17.649 -28.288 13.253 1.00 23.32 ATOM 1321 CD GLN 83 -19.400 -27.648 12.240 1.00 33.32 ATOM 1322 OE1 GLN 83 -19.858 -26.548 11.930 1.00 32.12 ATOM 1323 NE2 GLN 83 -20.172 -28.683 12.551 1.00 13.04 ATOM 1324 HE21 GLN 83 -19.751 -29.540 12.791 1.00 64.03 ATOM 1325 HE22 GLN 83 -21.143 -28.550 12.528 1.00 32.34 ATOM 1326 C GLN 83 -15.548 -30.112 10.152 1.00 22.14 ATOM 1327 O GLN 83 -16.399 -30.580 9.396 1.00 13.00 ATOM 1328 N LYS 84 -14.250 -30.370 10.027 1.00 54.41 ATOM 1329 HN LYS 84 -13.614 -29.986 10.673 1.00 37.41 ATOM 1330 CA LYS 84 -13.741 -31.237 8.971 1.00 5.52 ATOM 1331 HA LYS 84 -14.561 -31.540 8.329 1.00 25.23 ATOM 1332 CB LYS 84 -12.718 -30.485 8.116 1.00 61.54 ATOM 1333 HB1 LYS 84 -13.230 -29.695 7.586 1.00 37.41 ATOM 1334 HB2 LYS 84 -12.294 -31.171 7.390 1.00 63.03 ATOM 1335 CG LYS 84 -11.593 -29.859 8.922 1.00 54.23 ATOM 1336 HG1 LYS 84 -11.242 -30.557 9.673 1.00 37.41 ATOM 1337 HG2 LYS 84 -11.974 -28.974 9.411 1.00 62.11 ATOM 1338 CD LYS 84 -10.429 -29.454 8.033 1.00 12.53 ATOM 1339 HD1 LYS 84 -9.811 -28.753 8.575 1.00 37.41 ATOM 1340 HD2 LYS 84 -10.802 -28.981 7.134 1.00 33.11 ATOM 1341 CE LYS 84 -9.580 -30.654 7.646 1.00 63.25 ATOM 1342 HE1 LYS 84 -10.103 -31.220 6.890 1.00 37.41 ATOM 1343 HE2 LYS 84 -9.421 -31.278 8.516 1.00 44.14 ATOM 1344 NZ LYS 84 -8.252 -30.244 7.110 1.00 21.53 ATOM 1345 HZ1 LYS 84 -8.371 -29.654 6.260 1.00 65.13 ATOM 1346 HZ2 LYS 84 -7.697 -31.086 6.855 1.00 54.54 ATOM 1347 HZ3 LYS 84 -7.724 -29.702 7.826 1.00 33.31 ATOM 1348 C LYS 84 -13.104 -32.492 9.558 1.00 4.04 ATOM 1349 O LYS 84 -12.621 -32.483 10.691 1.00 0.00 ATOM 1350 N ASP 85 -13.105 -33.569 8.781 1.00 25.21 ATOM 1351 HN ASP 85 -13.505 -33.525 7.883 1.00 37.41 ATOM 1352 CA ASP 85 -12.524 -34.832 9.223 1.00 12.25 ATOM 1353 HA ASP 85 -12.792 -35.584 8.494 1.00 41.02 ATOM 1354 CB ASP 85 -11.001 -34.718 9.301 1.00 20.22 ATOM 1355 HB1 ASP 85 -10.716 -34.189 10.202 1.00 37.41 ATOM 1356 HB2 ASP 85 -10.646 -34.164 8.443 1.00 63.31 ATOM 1357 CG ASP 85 -10.318 -36.072 9.296 1.00 14.23 ATOM 1358 OD1 ASP 85 -10.681 -36.915 8.450 1.00 22.52 ATOM 1359 OD2 ASP 85 -9.422 -36.288 10.139 1.00 13.12 ATOM 1360 C ASP 85 -13.086 -35.242 10.581 1.00 11.02 ATOM 1361 O ASP 85 -12.409 -35.900 11.371 1.00 72.20 ATOM 1362 N SER 86 -14.327 -34.847 10.846 1.00 74.41 ATOM 1363 HN SER 86 -14.857 -34.380 10.162 1.00 37.41 ATOM 1364 HA SER 86 -14.232 -35.497 12.824 1.00 44.52 ATOM 1365 CB SER 86 -15.672 -33.931 12.681 1.00 24.15 ATOM 1366 HB1 SER 86 -14.977 -33.104 12.689 1.00 37.41 ATOM 1367 HB2 SER 86 -15.997 -34.137 13.690 1.00 72.15 ATOM 1368 OG SER 86 -16.801 -33.574 11.903 1.00 21.04 ATOM 1369 HG SER 86 -16.517 -33.087 11.125 1.00 21.13 ATOM 1370 CA SER 86 -14.979 -35.170 12.110 1.00 3.32 ATOM 1371 C SER 86 -15.993 -36.295 11.928 1.00 42.15 ATOM 1372 OT1 SER 86 -16.865 -36.175 11.039 1.00 37.41 ATOM 1373 OT2 SER 86 -15.910 -37.292 12.677 1.00 37.41 ATOM 1374 OH2 TIP3 1 -13.207 -42.901 5.018 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -13.896 -42.243 4.923 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -13.192 -43.098 5.955 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -16.433 -33.634 2.165 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.375 -33.576 2.326 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.157 -32.728 2.028 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -15.336 -35.386 5.776 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -15.196 -35.977 5.037 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -15.168 -34.513 5.420 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -13.494 -39.046 3.842 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -14.146 -38.351 3.931 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -13.029 -38.836 3.032 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -17.560 -40.040 5.568 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -17.480 -39.277 6.140 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -18.161 -39.761 4.877 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -19.136 -33.312 2.750 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -19.377 -32.650 3.398 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -19.334 -34.146 3.175 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -21.802 -33.131 6.229 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -21.715 -32.305 6.704 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -22.666 -33.461 6.478 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -15.629 -41.212 7.833 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -16.036 -40.731 7.113 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -15.588 -42.117 7.526 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -21.135 -40.580 8.138 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -21.698 -41.284 8.458 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -20.309 -40.700 8.605 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -15.551 -37.222 3.691 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -14.909 -36.765 3.148 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.381 -37.109 3.229 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -21.181 -36.171 6.142 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -21.527 -36.552 6.948 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -21.381 -35.237 6.213 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -23.551 -39.082 8.202 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -23.847 -39.248 7.307 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -22.620 -39.302 8.192 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -18.931 -33.709 6.092 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -19.832 -33.526 5.824 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -18.897 -33.450 7.013 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -19.715 -35.631 3.671 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -20.141 -35.858 4.497 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -19.134 -36.369 3.488 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -15.786 -30.825 2.107 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -15.942 -30.147 1.450 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -14.854 -30.753 2.310 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -25.475 -31.235 9.955 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -24.707 -31.694 10.296 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -25.496 -31.461 9.025 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -23.510 -36.374 8.722 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -23.838 -36.103 7.864 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -23.358 -37.315 8.634 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -17.775 -36.458 6.105 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -17.030 -35.870 5.985 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -18.532 -35.876 6.168 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -20.366 -37.664 9.361 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -19.413 -37.580 9.333 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -20.526 -38.375 9.980 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.636 -41.156 9.926 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -18.444 -42.087 9.815 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -17.779 -40.731 9.916 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -13.070 -30.175 2.336 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -13.092 -29.990 3.275 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -12.380 -29.606 1.995 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -13.602 -35.723 2.182 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -12.768 -36.101 1.901 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -13.490 -34.780 2.063 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -15.115 -32.845 4.489 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -15.763 -32.520 5.114 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -15.633 -33.285 3.814 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -14.718 -38.017 7.436 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -14.135 -38.751 7.627 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -14.154 -37.245 7.482 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -13.221 -40.114 8.120 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -14.084 -40.493 7.955 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -12.617 -40.853 8.046 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -15.223 -41.086 4.471 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -16.066 -40.818 4.837 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -14.780 -40.264 4.260 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -21.682 -30.782 7.669 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -21.497 -31.116 8.547 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -20.835 -30.473 7.347 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -19.086 -30.559 3.908 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -19.990 -30.394 3.642 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.657 -29.706 3.842 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -16.481 -28.989 4.203 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -16.663 -28.073 3.992 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -16.305 -29.399 3.356 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -19.584 -37.668 16.952 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -19.495 -36.724 16.820 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -20.223 -37.943 16.294 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -16.945 -35.474 18.673 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -17.386 -36.194 19.123 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -16.958 -34.753 19.303 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -19.834 -30.369 18.885 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -19.214 -31.046 18.612 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.042 -30.587 19.793 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -18.244 -43.354 16.778 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -17.598 -43.683 17.403 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -17.734 -42.836 16.155 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -19.787 -35.067 15.995 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -20.083 -35.389 15.144 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -20.111 -34.167 16.037 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -16.433 -33.634 21.021 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -17.375 -33.576 21.182 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -16.157 -32.728 20.884 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -18.181 -31.853 17.646 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -17.756 -32.560 17.161 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -17.864 -31.052 17.229 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -15.336 -35.386 24.632 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -15.196 -35.977 23.893 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -15.168 -34.513 24.276 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -20.863 -38.424 14.404 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -21.575 -37.889 14.053 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -20.172 -38.368 13.744 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -20.809 -39.966 11.443 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -20.108 -39.944 12.094 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -20.507 -40.594 10.787 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -19.136 -33.312 21.606 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -19.377 -32.650 22.254 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -19.334 -34.146 22.031 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -20.860 -32.315 16.476 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -20.386 -32.020 17.254 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -21.423 -31.577 16.243 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -12.781 -32.705 26.209 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -12.830 -33.660 26.172 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -13.607 -32.437 26.611 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -20.237 -40.755 15.506 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -20.646 -39.940 15.214 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -19.517 -40.895 14.891 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -19.233 -41.309 18.320 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -19.428 -40.704 17.605 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -19.051 -42.143 17.885 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -22.701 -36.355 13.761 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -23.445 -36.862 13.438 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -22.835 -36.306 14.707 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -18.803 -43.541 11.960 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -19.741 -43.429 11.809 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -18.506 -42.684 12.266 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -18.085 -41.674 13.621 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -17.193 -41.811 13.940 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -18.028 -40.883 13.084 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -20.575 -34.896 12.786 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -20.870 -34.070 13.168 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -21.278 -35.516 12.982 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -18.931 -33.709 24.948 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -19.832 -33.526 24.680 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -18.897 -33.450 25.869 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -13.200 -41.464 13.315 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -13.754 -41.860 12.643 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -13.099 -40.554 13.038 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -13.236 -35.664 26.152 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -14.088 -35.426 25.785 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -12.646 -35.681 25.399 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -25.090 -30.857 16.056 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -26.040 -30.752 16.108 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -24.739 -30.037 16.401 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -19.715 -35.631 22.527 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -20.141 -35.858 23.353 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -19.134 -36.369 22.344 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -17.056 -31.079 24.996 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -17.658 -31.634 24.501 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -16.775 -30.412 24.370 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -23.421 -33.590 10.048 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -23.182 -34.338 9.500 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -23.690 -33.978 10.880 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -24.484 -34.020 12.504 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -24.337 -34.540 13.294 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -24.487 -33.113 12.810 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -21.746 -32.322 13.253 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -22.563 -31.825 13.306 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -21.217 -31.847 12.613 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -24.408 -31.279 13.235 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -24.247 -30.479 12.734 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -24.605 -30.972 14.120 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -16.873 -40.081 19.341 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -17.670 -40.496 19.012 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -16.428 -40.772 19.832 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.383 -31.727 10.186 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -22.027 -32.358 10.508 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -20.621 -32.258 9.954 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -23.604 -39.785 10.846 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -23.784 -39.939 9.918 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -22.653 -39.677 10.890 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -15.056 -34.818 28.752 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -15.922 -34.923 29.146 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -14.680 -34.059 29.199 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -13.361 -38.508 16.090 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -14.087 -38.987 16.488 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -12.780 -38.302 16.822 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -13.602 -35.723 21.038 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -12.768 -36.101 20.757 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -13.490 -34.780 20.919 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.115 -32.845 23.345 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -15.763 -32.520 23.970 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -15.633 -33.285 22.670 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -14.744 -41.367 11.032 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.647 -40.700 10.352 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -14.884 -42.183 10.550 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -15.574 -39.987 16.653 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.724 -40.932 16.633 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -15.928 -39.706 17.497 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -15.496 -43.959 10.149 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -14.886 -44.331 10.786 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -16.333 -44.381 10.345 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -15.864 -42.404 15.115 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -15.584 -43.311 15.240 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -15.105 -41.970 14.726 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -19.337 -29.497 25.769 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -18.660 -30.129 25.529 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -19.015 -29.095 26.577 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -21.413 -29.437 21.819 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -21.870 -28.908 21.165 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -21.250 -28.834 22.544 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -19.086 -30.559 22.764 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -19.990 -30.394 22.498 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -18.657 -29.706 22.698 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -15.134 -31.554 26.922 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -15.916 -31.740 26.402 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.206 -30.625 27.139 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -13.698 -32.936 30.087 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -13.625 -31.997 30.257 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -12.793 -33.241 30.030 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -18.286 -30.205 30.750 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -17.911 -30.949 30.279 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -18.282 -30.475 31.668 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -14.904 -32.678 32.636 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -15.277 -33.504 32.946 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -14.627 -32.861 31.739 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -16.779 -31.910 29.276 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -16.496 -32.704 29.729 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -16.039 -31.677 28.715 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.070 -30.175 40.048 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -13.092 -29.990 40.987 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -12.380 -29.606 39.707 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -16.332 -30.085 35.620 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -15.679 -30.432 35.012 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.821 -29.596 36.266 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -14.352 -30.305 33.628 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -14.546 -31.053 33.063 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -14.391 -29.547 33.044 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -15.056 -15.962 -8.960 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -15.922 -16.067 -8.566 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -14.680 -15.203 -8.513 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -19.584 -18.812 -1.904 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -19.495 -17.868 -2.036 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -20.223 -19.087 -2.562 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -16.945 -16.618 -0.183 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -17.386 -17.338 0.267 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -16.958 -15.897 0.447 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -19.121 -22.730 2.249 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -18.978 -23.677 2.269 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -19.227 -22.523 1.320 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -19.787 -16.211 -2.861 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -20.083 -16.533 -3.712 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -20.111 -15.311 -2.819 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -16.480 -25.207 -0.097 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -16.695 -25.973 0.435 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -15.824 -24.735 0.416 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.433 -14.778 2.165 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -17.375 -14.720 2.326 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -16.157 -13.872 2.028 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -16.133 -26.492 3.582 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -16.869 -25.881 3.544 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -15.449 -26.077 3.056 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -18.181 -12.997 -1.210 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -17.756 -13.704 -1.695 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -17.864 -12.196 -1.627 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -17.022 -15.096 -2.701 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -17.279 -15.786 -3.313 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -16.951 -15.539 -1.856 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -17.457 -19.358 -3.500 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -18.189 -19.130 -2.927 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -17.010 -20.072 -3.045 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -17.560 -21.184 5.568 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -17.480 -20.421 6.140 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -18.161 -20.905 4.877 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -19.136 -14.456 2.750 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -19.377 -13.794 3.398 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -19.334 -15.290 3.175 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -18.586 -20.196 -5.815 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -18.007 -20.046 -5.068 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -18.172 -19.725 -6.538 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -13.698 -14.080 -7.625 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -13.625 -13.141 -7.455 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -12.793 -14.385 -7.682 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -21.802 -14.275 6.229 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -21.715 -13.449 6.704 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -22.666 -14.605 6.478 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -18.617 -11.423 -4.213 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -19.552 -11.323 -4.034 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -18.337 -12.132 -3.635 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -21.198 -27.780 5.200 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -20.778 -28.195 5.953 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -22.131 -27.958 5.317 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -17.872 -24.024 6.054 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -18.386 -24.150 6.851 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -18.027 -23.112 5.809 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -17.109 -19.163 -8.185 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -17.067 -19.386 -9.115 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -16.260 -18.765 -7.995 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -21.135 -21.724 8.138 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -21.698 -22.428 8.458 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -20.309 -21.844 8.605 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -19.969 -20.815 4.135 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -19.645 -21.446 3.492 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -20.409 -21.350 4.796 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -18.786 -25.653 2.183 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -19.463 -25.522 2.847 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -19.272 -25.808 1.373 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -15.499 -9.981 8.460 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.299 -9.557 7.625 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -14.843 -9.638 9.067 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -15.551 -18.366 3.691 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -14.909 -17.909 3.148 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -16.381 -18.253 3.229 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -21.181 -17.315 6.142 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -21.527 -17.696 6.948 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -21.381 -16.381 6.213 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -18.931 -14.853 6.092 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -19.832 -14.670 5.824 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -18.897 -14.594 7.013 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -13.200 -22.608 -5.541 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -13.754 -23.004 -6.213 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.099 -21.698 -5.818 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -14.904 -13.822 -5.076 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -15.277 -14.648 -4.766 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -14.627 -14.005 -5.973 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -17.744 -19.014 1.946 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -18.672 -19.246 1.919 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -17.293 -19.791 1.616 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.715 -16.775 3.671 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -20.141 -17.002 4.497 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -19.134 -17.513 3.488 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -17.512 -15.846 -7.255 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -17.159 -16.226 -6.451 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -18.461 -15.939 -7.169 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.056 -12.223 6.140 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.658 -12.778 5.645 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -16.775 -11.556 5.514 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -13.008 -11.366 -7.054 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -12.265 -10.780 -7.194 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -13.703 -10.798 -6.721 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -16.646 -17.173 -5.029 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -16.923 -17.901 -4.473 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -15.719 -17.054 -4.823 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -20.199 -25.249 4.437 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -19.501 -25.175 5.087 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -20.580 -26.113 4.592 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -21.679 -22.883 5.554 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -21.560 -22.309 6.311 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -21.024 -23.571 5.669 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -16.873 -21.225 0.485 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -17.670 -21.640 0.156 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -16.428 -21.916 0.976 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -15.786 -11.969 2.107 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -15.942 -11.291 1.450 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -14.854 -11.897 2.310 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -18.898 -13.999 8.684 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -19.249 -14.855 8.927 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -18.172 -13.856 9.291 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -17.775 -17.602 6.105 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -17.030 -17.014 5.985 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -18.532 -17.020 6.168 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -20.366 -18.808 9.361 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -19.413 -18.724 9.333 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -20.526 -19.519 9.980 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.214 -18.574 -8.565 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -14.487 -18.999 -9.378 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -14.174 -17.643 -8.782 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -25.046 -23.924 7.166 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -24.896 -24.653 6.563 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -25.044 -23.147 6.607 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -22.564 -23.776 8.653 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -22.800 -23.996 9.555 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -23.347 -23.983 8.144 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -19.848 -24.649 7.729 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -20.796 -24.617 7.861 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -19.536 -25.274 8.383 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -23.606 -28.804 7.761 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -22.894 -29.444 7.747 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -23.707 -28.537 6.847 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -23.253 -27.121 9.815 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -23.384 -27.597 8.994 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -23.852 -26.377 9.759 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -13.507 -11.752 5.258 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -13.994 -12.487 4.887 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -12.958 -12.145 5.936 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -13.093 -19.751 -6.375 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -13.614 -19.394 -7.094 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -13.126 -19.076 -5.697 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -15.574 -21.131 -2.203 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -15.724 -22.076 -2.223 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -15.928 -20.850 -1.359 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.864 -23.548 -3.741 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -15.584 -24.455 -3.616 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -15.105 -23.114 -4.130 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -15.252 -22.967 1.695 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -14.319 -22.755 1.661 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -15.487 -22.865 2.618 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -16.332 -11.229 -2.092 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -15.679 -11.576 -2.700 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -15.821 -10.740 -1.446 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -19.337 -10.641 6.913 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -18.660 -11.273 6.673 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -19.015 -10.239 7.721 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -19.086 -11.703 3.908 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -19.990 -11.538 3.642 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -18.657 -10.850 3.842 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -16.481 -10.133 4.203 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -16.663 -9.217 3.992 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -16.305 -10.543 3.356 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -15.847 -28.495 0.428 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.243 -27.947 -0.073 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -16.716 -28.175 0.188 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -14.120 -27.356 -1.238 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -13.508 -27.870 -1.765 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -13.737 -26.478 -1.215 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -26.732 -28.103 9.191 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -25.833 -28.377 9.006 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -27.118 -28.846 9.655 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -19.584 -18.812 16.952 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -19.495 -17.868 16.820 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -20.223 -19.087 16.294 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -20.651 -19.557 20.371 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -20.689 -20.203 21.076 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -20.974 -20.023 19.600 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -16.945 -16.618 18.673 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -17.386 -17.338 19.123 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -16.958 -15.897 19.303 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -19.834 -11.513 18.885 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -19.214 -12.190 18.612 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.042 -11.731 19.793 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -19.121 -22.730 21.105 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -18.978 -23.677 21.125 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -19.227 -22.523 20.176 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -19.787 -16.211 15.995 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -20.083 -16.533 15.144 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -20.111 -15.311 16.037 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -16.433 -14.778 21.021 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -17.375 -14.720 21.182 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -16.157 -13.872 20.884 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -23.130 -28.405 19.904 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -23.247 -29.354 19.850 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -23.985 -28.073 20.177 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -18.181 -12.997 17.646 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -17.756 -13.704 17.161 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -17.864 -12.196 17.229 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -17.022 -15.096 16.155 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -17.279 -15.786 15.543 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -16.951 -15.539 17.000 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -15.336 -16.530 24.632 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -15.196 -17.121 23.893 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -15.168 -15.657 24.276 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -20.863 -19.568 14.404 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -21.575 -19.033 14.053 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -20.172 -19.512 13.744 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -20.809 -21.110 11.443 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -20.108 -21.088 12.094 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -20.507 -21.738 10.787 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -17.457 -19.358 15.356 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.189 -19.130 15.929 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -17.010 -20.072 15.811 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.560 -21.184 24.424 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.480 -20.421 24.996 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -18.161 -20.905 23.733 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -19.136 -14.456 21.606 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -19.377 -13.794 22.254 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -19.334 -15.290 22.031 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -20.860 -13.459 16.476 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -20.386 -13.164 17.254 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -21.423 -12.721 16.243 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -12.781 -13.849 26.209 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -12.830 -14.804 26.172 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -13.607 -13.581 26.611 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -18.286 -11.349 11.894 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -17.911 -12.093 11.423 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -18.282 -11.619 12.812 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -18.617 -11.423 14.643 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.552 -11.323 14.822 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -18.337 -12.132 15.221 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -21.198 -27.780 24.056 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -20.778 -28.195 24.809 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -22.131 -27.958 24.173 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -17.872 -24.024 24.910 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -18.386 -24.150 25.707 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -18.027 -23.112 24.665 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -20.237 -21.899 15.506 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -20.646 -21.084 15.214 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -19.517 -22.039 14.891 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -21.135 -21.724 26.994 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -21.698 -22.428 27.314 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -20.309 -21.844 27.461 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.233 -22.453 18.320 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -19.428 -21.848 17.605 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -19.051 -23.287 17.885 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -24.654 -24.842 10.442 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -25.085 -25.287 11.172 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -25.372 -24.470 9.930 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -19.969 -20.815 22.991 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -19.645 -21.446 22.348 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -20.409 -21.350 23.652 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -23.191 -24.888 17.775 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -24.102 -24.831 18.064 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -22.686 -24.948 18.586 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -24.710 -23.259 14.258 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -23.778 -23.130 14.436 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -24.925 -22.589 13.609 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -18.786 -25.653 21.039 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -19.463 -25.522 21.703 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -19.272 -25.808 20.229 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -26.036 -22.064 11.825 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -26.578 -22.444 11.134 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -25.202 -21.870 11.396 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -21.871 -22.100 19.662 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -21.307 -22.647 19.115 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -22.019 -22.622 20.451 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -22.701 -17.499 13.761 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -23.445 -18.006 13.438 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -22.835 -17.450 14.707 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -20.575 -16.040 12.786 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -20.870 -15.214 13.168 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -21.278 -16.660 12.982 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -18.931 -14.853 24.948 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -19.832 -14.670 24.680 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -18.897 -14.594 25.869 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -17.744 -19.014 20.802 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -18.672 -19.246 20.775 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -17.293 -19.791 20.472 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -19.715 -16.775 22.527 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -20.141 -17.002 23.353 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -19.134 -17.513 22.344 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -17.056 -12.223 24.996 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -17.658 -12.778 24.501 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -16.775 -11.556 24.370 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -20.199 -25.249 23.293 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -19.501 -25.175 23.943 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -20.580 -26.113 23.448 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -21.746 -13.466 13.253 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -22.563 -12.969 13.306 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -21.217 -12.991 12.613 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -22.215 -23.869 15.225 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -21.403 -23.365 15.271 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -22.460 -24.014 16.139 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -21.679 -22.883 24.410 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -21.560 -22.309 25.167 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -21.024 -23.571 24.525 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -21.331 -26.788 16.163 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -21.678 -26.170 16.808 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -20.673 -26.287 15.682 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -25.674 -25.725 12.851 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -25.757 -24.836 13.197 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -24.784 -25.990 13.082 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -21.383 -12.871 10.186 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -22.027 -13.502 10.508 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -20.621 -13.402 9.954 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -20.472 -16.097 10.013 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -20.740 -15.917 10.914 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -20.678 -17.023 9.882 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -17.775 -17.602 24.961 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -17.030 -17.014 24.841 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -18.532 -17.020 25.024 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -23.604 -20.929 10.846 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -23.784 -21.083 9.918 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -22.653 -20.821 10.890 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -20.366 -18.808 28.217 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -19.413 -18.724 28.189 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -20.526 -19.519 28.836 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -18.636 -22.300 28.782 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -18.444 -23.231 28.671 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -17.779 -21.875 28.772 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -19.848 -24.649 26.585 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -20.796 -24.617 26.717 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -19.536 -25.274 27.239 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -18.214 -26.015 28.590 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -18.311 -26.967 28.584 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -18.536 -25.746 29.451 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -13.507 -11.752 24.114 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -13.994 -12.487 23.743 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -12.958 -12.145 24.792 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -15.056 -15.962 28.752 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -15.922 -16.067 29.146 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -14.680 -15.203 29.199 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -15.115 -13.989 23.345 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -15.763 -13.664 23.970 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -15.633 -14.429 22.670 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -19.086 -11.703 22.764 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -19.990 -11.538 22.498 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -18.657 -10.850 22.698 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -16.481 -10.133 23.059 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -16.663 -9.217 22.848 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -16.305 -10.543 22.212 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -20.989 -26.602 19.172 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -21.664 -27.231 19.427 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -20.425 -27.086 18.569 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -24.083 -28.041 16.807 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -23.209 -27.653 16.777 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -24.219 -28.256 17.730 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -21.061 -11.012 12.092 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -20.195 -10.646 11.914 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -21.308 -11.452 11.279 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -18.310 -28.771 28.229 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -18.234 -29.197 29.083 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -17.417 -28.757 27.887 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -15.134 -12.698 26.922 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -15.916 -12.884 26.402 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -15.206 -11.769 27.139 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -13.599 -25.523 40.494 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -13.550 -24.913 41.230 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -13.173 -25.062 39.771 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -13.207 -24.045 42.730 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -13.896 -23.387 42.635 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -13.192 -24.242 43.667 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -16.480 -25.207 37.615 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -16.695 -25.973 38.147 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -15.824 -24.735 38.128 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.494 -20.190 41.554 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -14.146 -19.495 41.643 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -13.029 -19.980 40.744 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -18.586 -20.196 31.897 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -18.007 -20.046 32.644 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -18.172 -19.725 31.174 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -13.698 -14.080 30.087 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -13.625 -13.141 30.257 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -12.793 -14.385 30.030 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -17.109 -19.163 29.527 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -17.067 -19.386 28.597 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -16.260 -18.765 29.717 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -18.803 -24.685 30.816 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -19.741 -24.573 30.665 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -18.506 -23.828 31.122 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -18.085 -22.818 32.477 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -17.193 -22.955 32.796 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -18.028 -22.027 31.940 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -13.200 -22.608 32.171 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -13.754 -23.004 31.499 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -13.099 -21.698 31.894 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -17.512 -15.846 30.457 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -17.159 -16.226 31.261 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -18.461 -15.939 30.543 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -16.646 -17.173 32.683 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.923 -17.901 33.239 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.719 -17.054 32.889 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -19.415 -25.597 33.246 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -19.195 -25.125 32.443 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -18.857 -25.202 33.917 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -16.873 -21.225 38.197 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.670 -21.640 37.868 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -16.428 -21.916 38.688 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -13.755 -17.705 33.122 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -12.905 -17.284 33.250 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -13.750 -18.445 33.730 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -13.361 -19.652 34.946 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -14.087 -20.131 35.344 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -12.780 -19.446 35.678 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -15.574 -21.131 35.509 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -15.724 -22.076 35.489 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -15.928 -20.850 36.353 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -15.864 -23.548 33.971 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -15.584 -24.455 34.096 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -15.105 -23.114 33.582 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -15.252 -22.967 39.407 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -14.319 -22.755 39.373 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -15.487 -22.865 40.330 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -15.223 -22.230 42.183 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -16.066 -21.962 42.549 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -14.780 -21.408 41.972 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -15.250 -26.285 34.020 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.068 -26.734 34.845 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.850 -26.870 33.556 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -15.847 -28.495 38.140 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -15.243 -27.947 37.639 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -16.716 -28.175 37.900 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -14.120 -27.356 36.474 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -13.508 -27.870 35.947 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -13.737 -26.478 36.497 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -17.173 -27.985 33.005 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -17.876 -27.371 32.795 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -17.618 -28.823 33.136 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -12.940 -9.394 -9.031 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -12.590 -10.048 -9.637 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -12.793 -8.557 -9.471 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -16.480 -6.351 -0.097 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -16.695 -7.117 0.435 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -15.824 -5.879 0.416 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -16.133 -7.636 3.582 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -16.869 -7.025 3.544 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -15.449 -7.221 3.056 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -13.494 -1.334 3.842 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.146 -0.639 3.931 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -13.029 -1.124 3.032 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -17.560 -2.328 5.568 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.480 -1.565 6.140 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -18.161 -2.049 4.877 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -14.888 -9.590 -6.002 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -15.787 -9.451 -5.707 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -14.636 -8.759 -6.404 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -15.629 -3.500 7.833 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -16.036 -3.019 7.113 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -15.588 -4.405 7.526 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.872 -5.168 6.054 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -18.386 -5.294 6.851 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -18.027 -4.256 5.809 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -18.786 -6.797 2.183 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -19.463 -6.666 2.847 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -19.272 -6.952 1.373 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -15.475 -6.120 6.389 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -16.391 -5.857 6.301 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -15.139 -6.123 5.492 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -16.873 -2.369 0.485 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -17.670 -2.784 0.156 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -16.428 -3.060 0.976 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -18.214 -7.159 9.734 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -18.311 -8.111 9.728 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -18.536 -6.890 10.595 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -13.221 -2.402 8.120 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -14.084 -2.781 7.955 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -12.617 -3.141 8.046 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -15.252 -4.111 1.695 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -14.319 -3.899 1.661 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -15.487 -4.009 2.618 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.223 -3.374 4.471 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -16.066 -3.106 4.837 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -14.780 -2.552 4.260 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -12.940 -9.394 9.825 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -12.590 -10.048 9.219 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -12.793 -8.557 9.385 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -15.250 -7.429 -3.692 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -15.068 -7.878 -2.867 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.850 -8.014 -4.156 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.420 -7.285 8.174 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -14.337 -7.014 8.138 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.297 -7.820 7.390 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -13.384 -7.362 -7.164 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -12.971 -8.083 -7.640 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -12.702 -6.692 -7.106 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -14.419 -9.195 5.993 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -15.232 -8.870 5.605 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -14.186 -9.955 5.460 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -15.847 -9.639 0.428 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -15.243 -9.091 -0.073 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -16.716 -9.319 0.188 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -14.120 -8.500 -1.238 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -13.508 -9.014 -1.765 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -13.737 -7.622 -1.215 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -18.526 -9.155 -0.400 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -18.450 -9.060 -1.349 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -18.802 -10.063 -0.271 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -17.173 -9.129 -4.707 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -17.876 -8.515 -4.917 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -17.618 -9.967 -4.576 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -18.310 -9.915 9.373 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -18.234 -10.341 10.227 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -17.417 -9.901 9.031 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -13.599 -6.667 21.638 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -13.550 -6.057 22.374 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -13.173 -6.206 20.915 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -18.244 -5.642 16.778 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -17.598 -5.971 17.403 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -17.734 -5.124 16.155 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -16.480 -6.351 18.759 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -16.695 -7.117 19.291 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -15.824 -5.879 19.272 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.133 -7.636 22.438 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -16.869 -7.025 22.400 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -15.449 -7.221 21.912 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -14.888 -9.590 12.854 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -15.787 -9.451 13.149 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -14.636 -8.759 12.452 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -18.786 -6.797 21.039 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -19.463 -6.666 21.703 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -19.272 -6.952 20.229 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -15.496 -6.247 10.149 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -14.886 -6.619 10.786 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -16.333 -6.669 10.345 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -15.250 -7.429 15.164 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -15.068 -7.878 15.989 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -15.850 -8.014 14.700 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -13.384 -7.362 11.692 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -12.971 -8.083 11.216 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -12.702 -6.692 11.750 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -14.419 -9.195 24.849 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.232 -8.870 24.461 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.186 -9.955 24.316 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -18.526 -9.155 18.456 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -18.450 -9.060 17.507 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -18.802 -10.063 18.585 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -17.173 -9.129 14.149 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -17.876 -8.515 13.939 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.618 -9.967 14.280 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -9.427 -38.798 3.108 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -9.385 -39.424 3.832 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -8.724 -38.175 3.290 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -8.503 -34.348 1.643 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -8.873 -35.150 1.274 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -7.562 -34.517 1.690 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -0.978 -30.369 0.029 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -0.358 -31.046 -0.244 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -1.186 -30.587 0.937 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -5.731 -36.891 3.883 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -6.471 -36.293 3.986 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -5.017 -36.337 3.567 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -7.323 -34.927 4.670 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -7.329 -34.048 4.292 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -8.177 -35.010 5.095 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 2.423 -33.634 2.165 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 1.481 -33.576 2.326 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 2.699 -32.728 2.028 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 0.675 -31.853 -1.210 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 1.100 -32.560 -1.695 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 0.992 -31.052 -1.627 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -5.589 -34.156 1.064 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -5.684 -34.734 0.307 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -4.860 -34.527 1.560 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -6.589 -38.815 2.016 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -6.024 -38.694 1.253 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -6.270 -38.178 2.655 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -0.280 -33.312 2.750 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -0.521 -32.650 3.398 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -0.478 -34.146 3.175 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -5.709 -34.416 6.733 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -6.021 -33.634 7.189 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -6.359 -34.569 6.047 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -12.122 -33.371 1.671 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -11.176 -33.515 1.652 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -12.235 -32.587 2.208 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 6.075 -32.705 7.353 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 6.026 -33.660 7.316 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 5.249 -32.437 7.755 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -2.946 -33.131 6.229 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -2.859 -32.305 6.704 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -3.810 -33.461 6.478 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -8.878 -30.570 -2.184 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -8.726 -30.918 -1.305 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -9.729 -30.926 -2.439 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -9.164 -41.072 4.788 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -9.202 -40.672 5.656 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -9.655 -41.889 4.878 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -2.325 -36.171 6.142 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -2.671 -36.552 6.948 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -2.525 -35.237 6.213 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -4.695 -39.082 8.202 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -4.991 -39.248 7.307 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -3.764 -39.302 8.192 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -0.075 -33.709 6.092 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -0.976 -33.526 5.824 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -0.041 -33.450 7.013 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -4.403 -31.730 3.970 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -4.040 -30.875 3.737 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -3.871 -32.022 4.711 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 1.800 -31.079 6.140 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 1.198 -31.634 5.645 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 2.081 -30.412 5.514 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -10.078 -43.846 5.547 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -10.971 -43.507 5.480 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -10.177 -44.701 5.965 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -10.427 -32.041 3.982 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -10.210 -32.973 3.951 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -10.180 -31.767 4.866 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 3.070 -30.825 2.107 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 2.914 -30.147 1.450 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 4.002 -30.753 2.310 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -0.042 -32.855 8.684 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -0.393 -33.711 8.927 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 0.684 -32.712 9.291 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -4.654 -36.374 8.722 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -4.982 -36.103 7.864 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -4.502 -37.315 8.634 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -6.530 -40.135 6.083 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -7.148 -39.460 6.364 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -6.186 -39.814 5.250 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -1.510 -37.664 9.361 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -0.557 -37.580 9.333 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -1.670 -38.375 9.980 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -6.190 -42.780 7.166 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -6.040 -43.509 6.563 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -6.188 -42.003 6.607 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -4.196 -38.971 4.898 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -3.445 -39.127 4.325 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -4.535 -38.119 4.622 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -7.712 -41.582 9.077 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -8.479 -42.114 8.867 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -7.033 -41.892 8.478 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -9.531 -43.661 8.782 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -9.320 -44.368 8.171 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -9.643 -44.099 9.626 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -12.633 -29.065 -2.449 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -13.280 -29.527 -2.982 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -12.278 -29.737 -1.866 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -11.763 -30.984 -0.644 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -12.097 -31.865 -0.472 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -11.541 -30.639 0.220 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 5.786 -30.175 2.336 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 5.764 -29.990 3.275 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 6.476 -29.606 1.995 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 5.349 -30.608 5.258 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 4.862 -31.343 4.887 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 5.898 -31.001 5.936 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 3.800 -34.818 9.896 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 2.934 -34.923 10.290 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 4.176 -34.059 10.343 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 3.741 -32.845 4.489 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 3.093 -32.520 5.114 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 3.223 -33.285 3.814 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -11.683 -37.909 1.807 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -11.499 -37.991 0.872 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -10.834 -38.033 2.231 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -12.085 -42.638 7.948 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -11.166 -42.760 8.184 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -12.535 -43.388 8.337 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 2.524 -30.085 -2.092 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 3.177 -30.432 -2.700 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 3.035 -29.596 -1.446 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -2.557 -29.437 2.963 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -3.014 -28.908 2.309 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -2.394 -28.834 3.688 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -0.230 -30.559 3.908 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -1.134 -30.394 3.642 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 0.199 -29.706 3.842 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -10.320 -30.302 1.668 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -10.339 -30.727 2.525 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -9.515 -30.620 1.259 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -8.179 -31.592 0.323 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -8.398 -32.508 0.492 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -7.355 -31.452 0.789 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -5.642 -31.122 1.171 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -5.429 -32.010 0.884 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -5.577 -31.156 2.126 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 3.722 -31.554 8.066 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 2.940 -31.740 7.546 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 3.650 -30.625 8.283 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -0.728 -37.668 16.952 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -0.639 -36.724 16.820 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -1.367 -37.943 16.294 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -1.795 -38.413 20.371 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -1.833 -39.059 21.076 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -2.118 -38.879 19.600 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -9.427 -38.798 21.964 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.385 -39.424 22.688 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -8.724 -38.175 22.146 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 1.911 -35.474 18.673 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 1.470 -36.194 19.123 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 1.898 -34.753 19.303 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -11.893 -40.688 15.892 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -12.341 -39.842 15.874 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -12.454 -41.268 15.377 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -11.183 -38.526 18.018 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -10.969 -39.296 18.545 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -10.445 -38.437 17.415 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -5.334 -39.538 18.355 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -4.718 -40.064 18.864 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -5.920 -40.178 17.951 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -0.931 -35.067 15.995 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -1.227 -35.389 15.144 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -1.255 -34.167 16.037 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -5.731 -36.891 22.739 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -6.471 -36.293 22.842 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -5.017 -36.337 22.423 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -7.323 -34.927 23.526 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -7.329 -34.048 23.148 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -8.177 -35.010 23.951 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 1.834 -33.952 16.155 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 1.577 -34.642 15.543 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 1.905 -34.395 17.000 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 3.520 -35.386 24.632 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 3.660 -35.977 23.893 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 3.688 -34.513 24.276 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -2.007 -38.424 14.404 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -2.719 -37.889 14.053 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -1.316 -38.368 13.744 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 1.399 -38.214 15.356 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 0.667 -37.986 15.929 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 1.846 -38.928 15.811 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 1.296 -40.040 24.424 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 1.376 -39.277 24.996 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 0.695 -39.761 23.733 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -6.956 -37.584 17.239 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -7.286 -37.954 16.420 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -6.368 -38.254 17.585 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -6.589 -38.815 20.872 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -6.024 -38.694 20.109 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -6.270 -38.178 21.511 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -5.709 -34.416 25.589 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -6.021 -33.634 26.045 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -6.359 -34.569 24.903 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -8.789 -38.218 24.818 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -8.719 -37.567 25.516 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -9.680 -38.115 24.483 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -7.966 -38.514 14.828 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -8.258 -37.746 14.337 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -8.640 -39.174 14.665 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 5.158 -32.936 11.231 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 5.231 -31.997 11.401 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 6.063 -33.241 11.174 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -11.873 -36.151 23.643 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -12.374 -36.179 22.828 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -11.867 -37.057 23.953 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 6.075 -32.705 26.209 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 6.026 -33.660 26.172 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 5.249 -32.437 26.611 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -9.624 -34.828 24.686 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -9.407 -35.189 25.546 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -10.479 -35.202 24.476 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 1.747 -38.019 10.671 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 1.789 -38.242 9.741 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 2.596 -37.621 10.861 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -11.281 -43.210 12.918 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -10.807 -42.619 12.333 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -11.999 -42.679 13.265 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -1.113 -39.671 22.991 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -0.789 -40.302 22.348 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -1.553 -40.206 23.652 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -5.854 -42.115 14.258 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -4.922 -41.986 14.436 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -6.069 -41.445 13.609 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -7.180 -40.920 11.825 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -7.722 -41.300 11.134 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -6.346 -40.726 11.396 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -9.045 -36.363 26.924 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -8.312 -36.109 27.485 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -9.825 -36.159 27.439 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -3.015 -40.956 19.662 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -2.451 -41.503 19.115 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -3.163 -41.478 20.451 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -3.845 -36.355 13.761 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -4.589 -36.862 13.438 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -3.979 -36.306 14.707 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 3.305 -37.222 22.547 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 3.947 -36.765 22.004 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 2.475 -37.109 22.085 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -2.325 -36.171 24.998 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -2.671 -36.552 25.804 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -2.525 -35.237 25.069 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -8.720 -37.060 19.530 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -7.975 -37.062 18.929 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -8.642 -37.884 20.012 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -1.719 -34.896 12.786 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -2.014 -34.070 13.168 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -2.422 -35.516 12.982 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -4.695 -39.082 27.058 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -4.991 -39.248 26.163 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -3.764 -39.302 27.048 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 5.620 -35.664 26.152 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 4.768 -35.426 25.785 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 6.210 -35.681 25.399 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 3.952 -32.678 13.780 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 3.579 -33.504 14.090 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 4.229 -32.861 12.883 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 1.112 -37.870 20.802 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 0.184 -38.102 20.775 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 1.563 -38.647 20.472 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -4.918 -35.879 16.511 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -5.159 -34.954 16.553 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -5.658 -36.338 16.907 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 1.344 -34.702 11.601 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 1.697 -35.082 12.405 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 0.395 -34.795 11.687 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 5.848 -30.222 11.802 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 6.591 -29.636 11.662 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 5.153 -29.654 12.135 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 2.210 -36.029 13.827 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 1.933 -36.757 14.383 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 3.137 -35.910 14.033 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -5.628 -34.020 12.504 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -5.481 -34.540 13.294 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -5.631 -33.113 12.810 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 1.983 -40.081 19.341 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 1.186 -40.496 19.012 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 2.428 -40.772 19.832 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -10.243 -41.489 11.027 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -10.288 -40.550 11.206 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -11.131 -41.725 10.757 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 3.070 -30.825 20.963 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 2.914 -30.147 20.306 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 4.002 -30.753 21.166 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -11.309 -36.344 28.145 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -11.165 -37.246 27.859 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -12.082 -36.058 27.657 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -4.654 -36.374 27.578 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -4.982 -36.103 26.720 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -4.502 -37.315 27.490 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -1.616 -34.953 10.013 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -1.884 -34.773 10.914 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -1.822 -35.879 9.882 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 1.081 -36.458 24.961 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 1.826 -35.870 24.841 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 0.324 -35.876 25.024 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -5.819 -38.028 12.583 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -6.278 -38.512 13.269 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -5.564 -38.696 11.947 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -4.748 -39.785 10.846 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -4.928 -39.939 9.918 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -3.797 -39.677 10.890 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -1.510 -37.664 28.217 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -0.557 -37.580 28.189 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -1.670 -38.375 28.836 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -4.196 -38.971 23.754 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -3.445 -39.127 23.181 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -4.535 -38.119 23.478 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 1.536 -38.367 26.860 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 1.255 -37.658 26.282 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 2.479 -38.440 26.709 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 5.786 -30.175 21.192 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 5.764 -29.990 22.131 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 6.476 -29.606 20.851 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 3.800 -34.818 28.752 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 2.934 -34.923 29.146 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 4.176 -34.059 29.199 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 5.101 -36.561 14.266 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 5.951 -36.140 14.394 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 5.106 -37.301 14.874 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 5.254 -35.723 21.038 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 6.088 -36.101 20.757 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 5.366 -34.780 20.919 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 3.741 -32.845 23.345 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 3.093 -32.520 23.970 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 3.223 -33.285 22.670 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -11.683 -37.909 20.663 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -11.499 -37.991 19.728 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -10.834 -38.033 21.087 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -7.137 -32.181 23.566 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -7.562 -31.372 23.283 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -6.232 -32.096 23.264 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 3.722 -31.554 26.922 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 2.940 -31.740 26.402 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 3.650 -30.625 27.139 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -8.503 -34.348 39.355 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -8.873 -35.150 38.986 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -7.562 -34.517 39.402 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -0.978 -30.369 37.741 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -0.358 -31.046 37.468 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -1.186 -30.587 38.649 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -0.931 -35.067 34.851 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -1.227 -35.389 34.000 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -1.255 -34.167 34.893 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -11.202 -35.256 33.164 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -11.474 -35.027 32.275 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -11.157 -34.418 33.624 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 0.675 -31.853 36.502 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 1.100 -32.560 36.017 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 0.992 -31.052 36.085 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 1.834 -33.952 35.011 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 1.577 -34.642 34.399 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 1.905 -34.395 35.856 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -5.589 -34.156 38.776 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -5.684 -34.734 38.019 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -4.860 -34.527 39.272 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -2.004 -32.315 35.332 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -1.530 -32.020 36.110 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -2.567 -31.577 35.099 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 5.158 -32.936 30.087 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 5.231 -31.997 30.257 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 6.063 -33.241 30.030 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 0.239 -30.279 33.499 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -0.696 -30.179 33.678 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 0.519 -30.988 34.077 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 1.747 -38.019 29.527 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 1.789 -38.242 28.597 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 2.596 -37.621 29.717 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -3.845 -36.355 32.617 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -4.589 -36.862 32.294 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -3.979 -36.306 33.563 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -1.719 -34.896 31.642 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -2.014 -34.070 32.024 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -2.422 -35.516 31.838 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 3.952 -32.678 32.636 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 3.579 -33.504 32.946 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 4.229 -32.861 31.739 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -6.345 -33.542 35.791 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -5.818 -32.769 35.590 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -7.225 -33.317 35.489 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -4.403 -31.730 41.682 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -4.040 -30.875 41.449 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -3.871 -32.022 42.423 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 1.344 -34.702 30.457 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 1.697 -35.082 31.261 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 0.395 -34.795 30.543 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 5.848 -30.222 30.658 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 6.591 -29.636 30.518 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 5.153 -29.654 30.991 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 2.210 -36.029 32.683 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 1.933 -36.757 33.239 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 3.137 -35.910 32.889 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -10.427 -32.041 41.694 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -10.210 -32.973 41.663 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -10.180 -31.767 42.578 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -9.175 -36.767 31.870 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -9.861 -36.415 32.437 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -8.652 -36.004 31.624 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -10.505 -32.767 34.717 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -11.337 -32.294 34.744 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -9.959 -32.257 34.118 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -6.968 -36.000 29.133 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -6.904 -36.794 29.664 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -6.315 -36.119 28.444 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -5.819 -38.028 31.439 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -6.278 -38.512 32.125 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -5.564 -38.696 30.803 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -11.282 -34.458 30.186 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -10.368 -34.379 30.459 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -11.275 -35.145 29.519 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -11.763 -30.984 37.068 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -12.097 -31.865 37.240 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -11.541 -30.639 37.932 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 2.524 -30.085 35.620 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 3.177 -30.432 35.012 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 3.035 -29.596 36.266 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -7.137 -32.181 42.422 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -7.562 -31.372 42.139 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -6.232 -32.096 42.120 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -9.735 -28.925 42.469 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -10.455 -28.485 42.018 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -10.101 -29.176 43.318 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -7.268 -29.325 41.499 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -8.133 -29.253 41.903 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -7.323 -28.778 40.715 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -2.557 -29.437 40.675 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -3.014 -28.908 40.021 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -2.394 -28.834 41.400 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -10.320 -30.302 39.380 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -10.339 -30.727 40.237 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -9.515 -30.620 38.971 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -8.179 -31.592 38.035 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -8.398 -32.508 38.204 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -7.355 -31.452 38.501 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -5.642 -31.122 38.883 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -5.429 -32.010 38.596 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -5.577 -31.156 39.838 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 4.504 -30.305 33.628 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 4.310 -31.053 33.063 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 4.465 -29.547 33.044 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -0.978 -11.513 -18.827 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -0.358 -12.190 -19.100 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -1.186 -11.731 -17.919 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 2.423 -14.778 -16.691 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 1.481 -14.720 -16.530 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 2.699 -13.872 -16.828 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -0.280 -14.456 -16.106 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -0.521 -13.794 -15.458 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -0.478 -15.290 -15.681 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -7.470 -13.488 -11.359 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -7.462 -13.624 -12.307 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -8.386 -13.606 -11.107 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 6.075 -13.849 -11.503 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 6.026 -14.804 -11.540 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 5.249 -13.581 -11.101 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -2.946 -14.275 -12.627 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -2.859 -13.449 -12.152 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -3.810 -14.605 -12.378 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -0.075 -14.853 -12.764 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -0.976 -14.670 -13.032 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -0.041 -14.594 -11.843 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -4.403 -12.874 -14.886 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -4.040 -12.019 -15.119 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -3.871 -13.166 -14.145 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 1.800 -12.223 -12.716 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 1.198 -12.778 -13.211 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 2.081 -11.556 -13.342 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 3.070 -11.969 -16.749 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 2.914 -11.291 -17.406 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 4.002 -11.897 -16.546 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 -6.619 -12.379 -8.901 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 -5.851 -12.838 -8.560 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 -6.640 -12.605 -9.831 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -0.042 -13.999 -10.172 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -0.393 -14.855 -9.929 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 0.684 -13.856 -9.565 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -11.309 -17.488 -9.567 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -11.165 -18.390 -9.853 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -12.082 -17.202 -10.055 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -4.654 -17.518 -10.134 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -4.982 -17.247 -10.992 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -4.502 -18.459 -10.222 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 5.786 -11.319 -16.520 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 5.764 -11.134 -15.581 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 6.476 -10.750 -16.861 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 5.349 -11.752 -13.598 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 4.862 -12.487 -13.969 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 5.898 -12.145 -12.920 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 3.741 -13.989 -14.367 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 3.093 -13.664 -13.742 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 3.223 -14.429 -15.042 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -2.826 -11.926 -11.187 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -2.641 -12.260 -10.309 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -1.979 -11.617 -11.509 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -2.557 -10.581 -15.893 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -3.014 -10.052 -16.547 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -2.394 -9.978 -15.168 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -0.230 -11.703 -14.948 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -1.134 -11.538 -15.214 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 0.199 -10.850 -15.014 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 3.722 -12.698 -10.790 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 2.940 -12.884 -11.310 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 3.650 -11.769 -10.573 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -11.893 -21.832 -2.964 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -12.341 -20.986 -2.982 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -12.454 -22.412 -3.479 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 5.257 -25.523 2.782 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 5.306 -24.913 3.518 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 5.683 -25.062 2.059 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.110 -24.629 -0.479 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -7.067 -23.769 -0.897 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -7.568 -25.181 -1.112 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 0.612 -24.498 -2.078 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 1.258 -24.827 -1.453 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 1.122 -23.980 -2.701 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 -5.334 -20.682 -0.501 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -4.718 -21.208 0.008 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 -5.920 -21.322 -0.905 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 2.376 -25.207 -0.097 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 2.161 -25.973 0.435 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 3.032 -24.735 0.416 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -4.274 -28.405 1.048 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -4.391 -29.354 0.994 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -5.129 -28.073 1.321 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 1.834 -15.096 -2.701 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 1.577 -15.786 -3.313 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 1.905 -15.539 -1.856 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -2.007 -19.568 -4.452 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -2.719 -19.033 -4.803 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -1.316 -19.512 -5.112 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -1.953 -21.110 -7.413 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -1.252 -21.088 -6.762 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -1.651 -21.738 -8.069 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 1.399 -19.358 -3.500 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 0.667 -19.130 -2.927 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 1.846 -20.072 -3.045 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 0.270 -20.196 -5.815 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 0.849 -20.046 -5.068 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 0.684 -19.725 -6.538 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -7.966 -19.658 -4.028 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -8.258 -18.890 -4.519 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -8.640 -20.318 -4.191 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 5.158 -14.080 -7.625 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 5.231 -13.141 -7.455 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 6.063 -14.385 -7.682 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -6.917 -22.315 -2.167 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -7.810 -22.656 -2.226 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -6.466 -22.692 -2.923 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -1.381 -21.899 -3.350 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -1.790 -21.084 -3.642 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -0.661 -22.039 -3.965 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -0.377 -22.453 -0.536 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -0.572 -21.848 -1.251 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -0.195 -23.287 -0.971 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -12.556 -25.100 -1.362 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -11.925 -25.129 -0.642 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -12.106 -25.525 -2.092 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -4.335 -24.888 -1.081 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -5.246 -24.831 -0.792 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -3.830 -24.948 -0.270 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -9.507 -23.259 -2.254 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -10.396 -23.159 -2.594 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -9.211 -24.101 -2.600 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -3.015 -22.100 0.806 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -2.451 -22.647 0.259 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -3.163 -22.622 1.595 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -8.013 -25.964 -2.776 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -8.330 -26.866 -2.811 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -7.232 -25.962 -3.328 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -3.845 -17.499 -5.095 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -4.589 -18.006 -5.418 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -3.979 -17.450 -4.149 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 0.771 -22.818 -5.235 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 1.663 -22.955 -4.916 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 0.828 -22.027 -5.772 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -1.719 -16.040 -6.070 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -2.014 -15.214 -5.688 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -2.422 -16.660 -5.874 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 3.952 -13.822 -5.076 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 3.579 -14.648 -4.766 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 4.229 -14.005 -5.973 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 -10.590 -19.824 -7.334 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 -9.974 -19.197 -6.955 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 -11.452 -19.508 -7.063 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 1.344 -15.846 -7.255 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 1.697 -16.226 -6.451 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 0.395 -15.939 -7.169 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 5.848 -11.366 -7.054 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 6.591 -10.780 -7.194 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 5.153 -10.798 -6.721 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 2.210 -17.173 -5.029 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 1.933 -17.901 -4.473 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 3.137 -17.054 -4.823 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -4.565 -14.734 -8.808 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -4.326 -15.482 -9.356 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -4.834 -15.122 -7.976 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -9.175 -17.911 -5.842 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -9.861 -17.559 -5.275 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -8.652 -17.148 -6.088 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -3.359 -23.869 -3.631 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.547 -23.365 -3.585 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -3.604 -24.014 -2.717 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -2.475 -26.788 -2.693 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -2.822 -26.170 -2.048 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -1.817 -26.287 -3.174 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -8.559 -15.297 -6.945 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -7.967 -14.598 -6.669 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -8.100 -15.730 -7.664 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 2.077 -13.054 -8.436 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 2.360 -13.848 -7.983 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 2.817 -12.821 -8.997 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -6.968 -17.144 -8.579 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -6.904 -17.938 -8.048 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -6.315 -17.263 -9.268 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 -1.616 -16.097 -8.843 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 -1.884 -15.917 -7.942 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 -1.822 -17.023 -8.974 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -5.819 -19.172 -6.273 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -6.278 -19.656 -5.587 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -5.564 -19.840 -6.909 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -11.282 -15.602 -7.526 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -10.368 -15.523 -7.253 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -11.275 -16.289 -8.193 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 5.101 -17.705 -4.590 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 5.951 -17.284 -4.462 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 5.106 -18.445 -3.982 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 5.495 -19.652 -2.766 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 4.769 -20.131 -2.368 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 6.076 -19.446 -2.034 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 3.282 -21.131 -2.203 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 3.132 -22.076 -2.223 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 2.928 -20.850 -1.359 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 2.992 -23.548 -3.741 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 3.272 -24.455 -3.616 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 3.751 -23.114 -4.130 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 4.437 -28.051 5.993 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 3.624 -27.726 5.605 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 4.670 -28.811 5.460 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 3.009 -28.495 0.428 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 3.613 -27.947 -0.073 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 2.140 -28.175 0.188 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 4.736 -27.356 -1.238 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 5.348 -27.870 -1.765 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 5.119 -26.478 -1.215 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -9.807 -27.968 -1.862 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -10.584 -28.202 -2.370 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -9.276 -28.765 -1.854 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.227 -28.041 -2.049 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -4.353 -27.653 -2.079 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.363 -28.256 -1.126 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 0.330 -28.011 -0.400 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 0.406 -27.916 -1.349 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 0.054 -28.919 -0.271 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -9.251 -11.302 -8.136 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -9.519 -11.015 -7.263 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -8.480 -11.848 -7.984 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -7.470 -13.488 26.353 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -7.462 -13.624 25.405 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -8.386 -13.606 26.605 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 6.075 -13.849 26.209 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 6.026 -14.804 26.172 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 5.249 -13.581 26.611 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 3.357 -9.981 27.316 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 3.557 -9.557 26.481 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 4.013 -9.638 27.923 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -11.216 -11.298 27.191 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -10.676 -11.515 27.950 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -11.697 -12.104 27.001 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 -6.619 -12.379 28.811 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 -5.851 -12.838 29.152 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 -6.640 -12.605 27.881 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 5.916 -28.250 28.681 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 6.266 -28.904 28.075 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 6.063 -27.413 28.241 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -10.091 -14.300 27.307 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -10.912 -14.125 26.847 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -10.343 -14.373 28.228 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -7.137 -13.325 23.566 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -7.562 -12.516 23.283 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -6.232 -13.240 23.264 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -9.735 -10.069 23.613 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -10.455 -9.629 23.162 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -10.101 -10.320 24.462 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -7.268 -10.469 22.643 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -8.133 -10.397 23.047 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -7.323 -9.922 21.859 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -1.795 -19.557 39.227 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -1.833 -20.203 39.932 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -2.118 -20.023 38.456 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -9.427 -19.942 40.820 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -9.385 -20.568 41.544 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -8.724 -19.319 41.002 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 1.911 -16.618 37.529 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 1.470 -17.338 37.979 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 1.898 -15.897 38.159 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -11.893 -21.832 34.748 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -12.341 -20.986 34.730 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -12.454 -22.412 34.233 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -11.183 -19.670 36.874 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -10.969 -20.440 37.401 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -10.445 -19.581 36.271 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 -3.406 -17.124 39.633 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 -3.102 -17.810 39.039 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 -2.684 -17.006 40.251 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 -0.265 -22.730 39.961 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 -0.122 -23.677 39.981 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 -0.371 -22.523 39.032 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -5.334 -20.682 37.211 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -4.718 -21.208 37.720 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -5.920 -21.322 36.807 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -0.931 -16.211 34.851 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -1.227 -16.533 34.000 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -1.255 -15.311 34.893 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -5.731 -18.035 41.595 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -6.471 -17.437 41.698 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -5.017 -17.481 41.279 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 2.376 -25.207 37.615 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 2.161 -25.973 38.147 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 3.032 -24.735 38.128 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 -11.202 -16.400 33.164 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 -11.474 -16.171 32.275 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 -11.157 -15.562 33.624 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 0.675 -12.997 36.502 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 1.100 -13.704 36.017 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 0.992 -12.196 36.085 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 1.834 -15.096 35.011 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 1.577 -15.786 34.399 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 1.905 -15.539 35.856 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -6.956 -18.728 36.095 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -7.286 -19.098 35.276 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -6.368 -19.398 36.441 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -8.789 -19.362 43.674 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -8.719 -18.711 44.372 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -9.680 -19.259 43.339 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -2.004 -13.459 35.332 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -1.530 -13.164 36.110 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -2.567 -12.721 35.099 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 5.158 -14.080 30.087 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 5.231 -13.141 30.257 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 6.063 -14.385 30.030 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 0.570 -11.349 30.750 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 0.945 -12.093 30.279 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 0.574 -11.619 31.668 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 0.239 -11.423 33.499 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -0.696 -11.323 33.678 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 0.519 -12.132 34.077 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -2.342 -27.780 42.912 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -1.922 -28.195 43.665 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -3.275 -27.958 43.029 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -1.113 -20.815 41.847 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -0.789 -21.446 41.204 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -1.553 -21.350 42.508 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 0.070 -25.653 39.895 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -0.607 -25.522 40.559 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -0.416 -25.808 39.085 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -3.015 -22.100 38.518 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -2.451 -22.647 37.971 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -3.163 -22.622 39.307 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 -3.845 -17.499 32.617 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 -4.589 -18.006 32.294 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 -3.979 -17.450 33.563 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -8.720 -18.204 38.386 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -7.975 -18.206 37.785 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -8.642 -19.028 38.868 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 -1.719 -16.040 31.642 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 -2.014 -15.214 32.024 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 -2.422 -16.660 31.838 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 -11.712 -19.743 43.701 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 -11.489 -20.161 44.533 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 -12.314 -20.356 43.279 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -4.695 -20.226 45.914 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -4.991 -20.392 45.019 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -3.764 -20.446 45.904 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 5.656 -22.608 32.171 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 5.102 -23.004 31.499 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 5.757 -21.698 31.894 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 3.952 -13.822 32.636 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 3.579 -14.648 32.946 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 4.229 -14.005 31.739 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 1.112 -19.014 39.658 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 0.184 -19.246 39.631 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 1.563 -19.791 39.328 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -6.345 -14.686 35.791 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -5.818 -13.913 35.590 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -7.225 -14.461 35.489 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -4.918 -17.023 35.367 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -5.159 -16.098 35.409 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -5.658 -17.482 35.763 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 5.848 -11.366 30.658 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 6.591 -10.780 30.518 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 5.153 -10.798 30.991 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -10.078 -24.990 43.259 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -10.971 -24.651 43.192 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -10.177 -25.845 43.677 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -4.565 -14.734 28.904 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -4.326 -15.482 28.356 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -4.834 -15.122 29.736 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -5.628 -15.164 31.360 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -5.481 -15.684 32.150 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -5.631 -14.257 31.666 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -1.343 -25.249 42.149 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -0.645 -25.175 42.799 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -1.724 -26.113 42.304 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -2.890 -13.466 32.109 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -3.707 -12.969 32.162 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -2.361 -12.991 31.469 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -2.823 -22.883 43.266 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -2.704 -22.309 44.023 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -2.168 -23.571 43.381 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -5.552 -12.423 32.091 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -5.391 -11.623 31.590 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -5.749 -12.116 32.976 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 1.983 -21.225 38.197 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 1.186 -21.640 37.868 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 2.428 -21.916 38.688 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -8.559 -15.297 30.767 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -7.967 -14.598 31.043 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -8.100 -15.730 30.048 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -10.505 -13.911 34.717 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -11.337 -13.438 34.744 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -9.959 -13.401 34.118 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 2.077 -13.054 29.276 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 2.360 -13.848 29.729 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 2.817 -12.821 28.715 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 -6.530 -21.279 43.795 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 -7.148 -20.604 44.076 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 -6.186 -20.958 42.962 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -6.190 -23.924 44.878 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -6.040 -24.653 44.275 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -6.188 -23.147 44.319 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -4.196 -20.115 42.610 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -3.445 -20.271 42.037 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -4.535 -19.263 42.334 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -7.712 -22.726 46.789 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -8.479 -23.258 46.579 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -7.033 -23.036 46.190 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -4.972 -28.098 42.802 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -5.070 -27.151 42.696 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -5.715 -28.470 42.326 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -3.708 -23.776 46.365 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.944 -23.996 47.267 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -4.491 -23.983 45.856 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -9.531 -24.805 46.494 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -9.320 -25.512 45.883 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -9.643 -25.243 47.338 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -4.850 -10.238 30.703 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -3.917 -10.080 30.847 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -5.114 -9.563 30.078 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -11.282 -15.602 30.186 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -10.368 -15.523 30.459 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -11.275 -16.289 29.519 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 5.101 -17.705 33.122 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 5.951 -17.284 33.250 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 5.106 -18.445 33.730 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 5.495 -19.652 34.946 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 4.769 -20.131 35.344 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 6.076 -19.446 35.678 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 5.763 -19.751 31.337 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 5.242 -19.394 30.618 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 5.730 -19.076 32.015 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 3.282 -21.131 35.509 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 3.132 -22.076 35.489 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 2.928 -20.850 36.353 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 -11.683 -19.053 39.519 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -11.499 -19.135 38.584 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 -10.834 -19.177 39.943 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 3.604 -22.967 39.407 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 4.537 -22.755 39.373 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 3.369 -22.865 40.330 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -12.085 -23.782 45.660 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -11.166 -23.904 45.896 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -12.535 -24.532 46.049 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -12.283 -27.475 42.019 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -12.948 -27.721 42.662 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -12.726 -26.853 41.442 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 3.009 -28.495 38.140 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 3.613 -27.947 37.639 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 2.140 -28.175 37.900 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 4.736 -27.356 36.474 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 5.348 -27.870 35.947 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 5.119 -26.478 36.497 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 0.330 -28.011 37.312 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 0.406 -27.916 36.363 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 0.054 -28.919 37.441 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -2.205 -11.012 30.948 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -1.339 -10.646 30.770 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -2.452 -11.452 30.135 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -9.849 -27.454 45.367 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -10.215 -28.219 45.810 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -8.936 -27.425 45.654 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 -0.728 0.044 -20.760 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 -0.639 0.988 -20.892 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 -1.367 -0.231 -21.418 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -1.795 -0.701 -17.341 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -1.833 -1.347 -16.636 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -2.118 -1.167 -18.112 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 1.911 2.238 -19.039 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 1.470 1.518 -18.589 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 1.898 2.959 -18.409 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 -3.406 1.732 -16.935 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 -3.102 1.046 -17.529 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 -2.684 1.850 -16.317 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -0.265 -3.874 -16.607 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -0.122 -4.821 -16.587 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -0.371 -3.667 -17.536 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 0.612 -5.642 -20.934 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 1.258 -5.971 -20.309 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 1.122 -5.124 -21.557 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 2.376 -6.351 -18.953 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 2.161 -7.117 -18.421 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 3.032 -5.879 -18.440 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 2.423 4.078 -16.691 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 1.481 4.136 -16.530 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 2.699 4.984 -16.828 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -4.274 -9.549 -17.808 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -4.391 -10.498 -17.862 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -5.129 -9.217 -17.535 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -0.280 4.400 -16.106 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -0.521 5.062 -15.458 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -0.478 3.566 -15.681 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 6.075 5.007 -11.503 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 6.026 4.052 -11.540 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 5.249 5.275 -11.101 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -0.377 -3.597 -19.392 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -0.572 -2.992 -20.107 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -0.195 -4.431 -19.827 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -1.113 -1.959 -14.721 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -0.789 -2.590 -15.364 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -1.553 -2.494 -14.060 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 0.070 -6.797 -16.673 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -0.607 -6.666 -16.009 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -0.416 -6.952 -17.483 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -3.015 -3.244 -18.050 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.451 -3.791 -18.597 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -3.163 -3.766 -17.261 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 -4.389 -4.856 -15.636 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -5.224 -4.402 -15.526 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -3.865 -4.580 -14.884 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -2.325 1.541 -12.714 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -2.671 1.160 -11.908 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -2.525 2.475 -12.643 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -4.695 -1.370 -10.654 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -4.991 -1.536 -11.549 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -3.764 -1.590 -10.664 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -0.075 4.003 -12.764 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -0.976 4.186 -13.032 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -0.041 4.262 -11.843 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 5.656 -3.752 -24.397 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 5.102 -4.148 -25.069 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 5.757 -2.842 -24.674 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 5.620 2.048 -11.560 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 4.768 2.286 -11.927 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 6.210 2.031 -12.313 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 -0.859 2.081 -15.185 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -1.285 1.854 -14.359 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 -0.278 1.343 -15.368 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 1.800 6.633 -12.716 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 1.198 6.078 -13.211 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 2.081 7.300 -13.342 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -2.823 -4.027 -13.302 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.704 -3.453 -12.545 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -2.168 -4.715 -13.187 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 1.983 -2.369 -18.371 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 1.186 -2.784 -18.700 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 2.428 -3.060 -17.880 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -0.042 4.857 -10.172 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -0.393 4.001 -9.929 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 0.684 5.000 -9.565 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -4.654 1.338 -10.134 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -4.982 1.609 -10.992 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -4.502 0.397 -10.222 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.510 0.048 -9.495 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -0.557 0.132 -9.523 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.670 -0.663 -8.876 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -6.190 -5.068 -11.690 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -6.040 -5.797 -12.293 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -6.188 -4.291 -12.249 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 -5.778 -6.698 -14.198 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 -5.242 -6.247 -14.850 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 -6.630 -6.806 -14.620 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -4.196 -1.259 -13.958 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -3.445 -1.415 -14.531 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -4.535 -0.407 -14.234 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 -4.972 -9.242 -13.766 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 -5.070 -8.295 -13.872 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 -5.715 -9.614 -14.242 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -3.708 -4.920 -10.203 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -3.944 -5.140 -9.301 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -4.491 -5.127 -10.712 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -4.750 -9.948 -11.095 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -4.038 -10.588 -11.109 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -4.851 -9.681 -12.009 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -4.397 -8.265 -9.041 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -4.528 -8.741 -9.862 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -4.996 -7.521 -9.097 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 3.800 2.894 -8.960 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 2.934 2.789 -8.566 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 4.176 3.653 -8.513 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 5.495 -0.796 -21.622 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 4.769 -1.275 -21.224 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 6.076 -0.590 -20.890 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 5.254 1.989 -16.674 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 6.088 1.611 -16.955 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 5.366 2.932 -16.793 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 3.741 4.867 -14.367 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 3.093 5.192 -13.742 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 3.223 4.427 -15.042 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 3.282 -2.275 -21.059 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 3.132 -3.220 -21.079 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 2.928 -1.994 -20.215 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 2.992 -4.692 -22.597 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 3.272 -5.599 -22.472 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 3.751 -4.258 -22.986 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 5.916 -9.394 -9.031 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 6.266 -10.048 -9.637 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 6.063 -8.557 -9.471 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 3.606 -7.429 -22.548 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 3.788 -7.878 -21.723 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.006 -8.014 -23.012 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 -2.133 -7.746 -18.540 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 -2.808 -8.375 -18.285 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 -1.569 -8.230 -19.143 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 3.009 -9.639 -18.428 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 3.613 -9.091 -18.929 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 2.140 -9.319 -18.668 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 4.736 -8.500 -20.094 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 5.348 -9.014 -20.621 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 5.119 -7.622 -20.071 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 0.330 -9.155 -19.256 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 0.406 -9.060 -20.205 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 0.054 -10.063 -19.127 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -7.876 -9.247 -9.665 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -6.977 -9.521 -9.850 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 -8.262 -9.990 -9.201 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 3.722 6.158 -10.790 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 2.940 5.972 -11.310 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 3.650 7.087 -10.573 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -1.795 -0.701 1.515 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -1.833 -1.347 2.220 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -2.118 -1.167 0.744 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -9.427 -1.086 3.108 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -9.385 -1.712 3.832 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -8.724 -0.463 3.290 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 1.911 2.238 -0.183 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 1.470 1.518 0.267 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 1.898 2.959 0.447 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -11.893 -2.976 -2.964 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -12.341 -2.130 -2.982 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -12.454 -3.556 -3.479 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 -11.183 -0.814 -0.838 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 -10.969 -1.584 -0.311 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 -10.445 -0.725 -1.441 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -3.406 1.732 1.921 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -3.102 1.046 1.327 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -2.684 1.850 2.539 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -10.490 -3.376 0.283 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -9.836 -3.926 0.715 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -10.466 -3.650 -0.633 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -5.334 -1.826 -0.501 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -4.718 -2.352 0.008 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.920 -2.466 -0.905 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 5.649 -5.189 5.018 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 4.960 -4.531 4.923 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 5.664 -5.386 5.955 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -0.931 2.645 -2.861 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -1.227 2.323 -3.712 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -1.255 3.545 -2.819 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 1.834 3.760 -2.701 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 1.577 3.070 -3.313 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 1.905 3.317 -1.856 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 5.362 -1.334 3.842 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 4.710 -0.639 3.931 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 5.827 -1.124 3.032 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 1.296 -2.328 5.568 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 1.376 -1.565 6.140 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 0.695 -2.049 4.877 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -6.956 0.128 -1.617 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -7.286 -0.242 -2.436 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -6.368 -0.542 -1.271 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -6.589 -1.103 2.016 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -6.024 -0.982 1.253 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -6.270 -0.466 2.655 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -8.789 -0.506 5.962 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -8.719 0.145 6.660 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -9.680 -0.403 5.627 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -7.966 -0.802 -4.028 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -8.258 -0.034 -4.519 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -8.640 -1.462 -4.191 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 3.227 -3.500 7.833 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 2.820 -3.019 7.113 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 3.268 -4.405 7.526 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 0.984 -5.168 6.054 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 0.470 -5.294 6.851 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 0.829 -4.256 5.809 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -6.914 -3.680 2.921 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -7.556 -3.721 3.630 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -6.877 -2.754 2.683 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -6.917 -3.459 -2.167 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -7.810 -3.800 -2.226 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -6.466 -3.836 -2.923 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 -9.164 -3.360 4.788 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 -9.202 -2.960 5.656 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 -9.655 -4.177 4.878 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -5.798 -5.986 -8.414 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -6.229 -6.431 -7.684 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -6.516 -5.614 -8.926 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -12.556 -6.244 -1.362 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -11.925 -6.273 -0.642 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -12.106 -6.669 -2.092 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 -11.281 -5.498 -5.938 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 -10.807 -4.907 -6.523 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 -11.999 -4.967 -5.591 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -1.113 -1.959 4.135 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -0.789 -2.590 3.492 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -1.553 -2.494 4.796 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -9.507 -4.403 -2.254 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -10.396 -4.303 -2.594 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -9.211 -5.245 -2.600 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -5.854 -4.403 -4.598 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -4.922 -4.274 -4.420 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -6.069 -3.733 -5.247 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -7.180 -3.208 -7.031 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -7.722 -3.588 -7.722 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -6.346 -3.014 -7.460 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -3.015 -3.244 0.806 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -2.451 -3.791 0.259 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -3.163 -3.766 1.595 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -4.389 -4.856 3.220 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -5.224 -4.402 3.330 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -3.865 -4.580 3.972 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -3.845 1.357 -5.095 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -4.589 0.850 -5.418 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -3.979 1.406 -4.149 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 -8.720 0.652 0.674 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 -7.975 0.650 0.073 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 -8.642 -0.172 1.156 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -1.719 2.816 -6.070 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -2.014 3.642 -5.688 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -2.422 2.196 -5.874 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 -11.712 -0.887 5.989 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 -11.489 -1.305 6.821 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 -12.314 -1.500 5.567 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 1.112 -0.158 1.946 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 0.184 -0.390 1.919 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.563 -0.935 1.616 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -4.918 1.833 -2.345 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -5.159 2.758 -2.303 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -5.658 1.374 -1.949 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 1.344 3.010 -7.255 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 1.697 2.630 -6.451 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 0.395 2.917 -7.169 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 2.210 1.683 -5.029 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 1.933 0.955 -4.473 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 3.137 1.802 -4.823 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -2.823 -4.027 5.554 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -2.704 -3.453 6.311 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -2.168 -4.715 5.669 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 3.381 -6.120 6.389 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 2.465 -5.857 6.301 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 3.717 -6.123 5.492 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 1.983 -2.369 0.485 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 1.186 -2.784 0.156 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 2.428 -3.060 0.976 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -1.616 2.759 -8.843 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -1.884 2.939 -7.942 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -1.822 1.833 -8.974 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -10.477 -1.432 8.709 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -10.069 -2.289 8.588 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -10.737 -1.417 9.630 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -5.819 -0.316 -6.273 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -6.278 -0.800 -5.587 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -5.564 -0.984 -6.909 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -6.530 -2.423 6.083 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -7.148 -1.748 6.364 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -6.186 -2.102 5.250 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -4.748 -2.073 -8.010 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -4.928 -2.227 -8.938 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -3.797 -1.965 -7.966 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -6.190 -5.068 7.166 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -6.040 -5.797 6.563 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -6.188 -4.291 6.607 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 -5.778 -6.698 4.658 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 -5.242 -6.247 4.006 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 -6.630 -6.806 4.236 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 0.220 -3.444 9.926 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 0.412 -4.375 9.815 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 1.077 -3.019 9.916 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 -7.712 -3.870 9.077 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -8.479 -4.402 8.867 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 -7.033 -4.180 8.478 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 -4.972 -9.242 5.090 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 -5.070 -8.295 4.984 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 -5.715 -9.614 4.614 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -3.708 -4.920 8.653 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -3.944 -5.140 9.555 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -4.491 -5.127 8.144 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.992 -5.793 7.729 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -1.940 -5.761 7.861 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 -0.680 -6.418 8.383 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -9.531 -5.949 8.782 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -9.320 -6.656 8.171 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -9.643 -6.387 9.626 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -4.750 -9.948 7.761 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -4.038 -10.588 7.747 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -4.851 -9.681 6.847 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -4.397 -8.265 9.815 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -4.528 -8.741 8.994 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -4.996 -7.521 9.759 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 5.101 1.151 -4.590 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 5.951 1.572 -4.462 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 5.106 0.411 -3.982 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 5.495 -0.796 -2.766 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 4.769 -1.275 -2.368 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 6.076 -0.590 -2.034 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 5.763 -0.895 -6.375 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 5.242 -0.538 -7.094 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 5.730 -0.220 -5.697 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 -11.683 -0.197 1.807 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -11.499 -0.279 0.872 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 -10.834 -0.321 2.231 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 3.604 -4.111 1.695 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 4.537 -3.899 1.661 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 3.369 -4.009 2.618 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 3.633 -3.374 4.471 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 2.790 -3.106 4.837 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 4.076 -2.552 4.260 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -12.085 -4.926 7.948 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -11.166 -5.048 8.184 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -12.535 -5.676 8.337 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 5.916 -9.394 9.825 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 6.266 -10.048 9.219 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 6.063 -8.557 9.385 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 5.436 -7.285 8.174 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 4.519 -7.014 8.138 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 5.559 -7.820 7.390 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -12.247 -7.357 -4.037 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -13.172 -7.148 -4.167 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -11.793 -6.873 -4.727 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 4.437 -9.195 5.993 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 3.624 -8.870 5.605 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 4.670 -9.955 5.460 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -10.970 -9.314 -6.059 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 -10.531 -8.703 -6.650 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -11.604 -8.776 -5.585 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -9.109 -7.398 -7.616 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -8.618 -8.028 -8.144 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -8.486 -7.102 -6.953 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 -7.876 -9.247 9.191 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 -6.977 -9.521 9.006 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 -8.262 -9.990 9.655 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 5.257 -6.667 21.638 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 5.306 -6.057 22.374 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 5.683 -6.206 20.915 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -0.265 -3.874 21.105 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -0.122 -4.821 21.125 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -0.371 -3.667 20.176 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -7.110 -5.773 18.377 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -7.067 -4.913 17.959 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -7.568 -6.325 17.744 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 0.612 -5.642 16.778 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 1.258 -5.971 17.403 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 1.122 -5.124 16.155 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 5.649 -5.189 23.874 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 4.960 -4.531 23.779 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 5.664 -5.386 24.811 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -8.300 -6.855 22.451 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -8.519 -6.325 21.685 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -8.968 -6.628 23.099 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -8.706 -4.963 20.404 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -8.093 -4.330 20.777 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -8.194 -5.435 19.747 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -1.953 -2.254 11.443 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -1.252 -2.232 12.094 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -1.651 -2.882 10.787 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 1.296 -2.328 24.424 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 1.376 -1.565 24.996 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 0.695 -2.049 23.733 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 3.227 -3.500 26.689 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 2.820 -3.019 25.969 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 3.268 -4.405 26.382 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -7.005 -8.646 20.682 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -7.866 -8.733 20.274 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -7.027 -7.790 21.109 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -2.680 -6.431 11.341 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -2.934 -6.412 12.264 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -2.937 -7.303 11.040 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 -6.914 -3.680 21.777 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -7.556 -3.721 22.486 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -6.877 -2.754 21.539 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -6.917 -3.459 16.689 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -7.810 -3.800 16.630 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -6.466 -3.836 15.933 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -1.381 -3.043 15.506 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -1.790 -2.228 15.214 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -0.661 -3.183 14.891 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -2.279 -2.868 26.994 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -2.842 -3.572 27.314 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -1.453 -2.988 27.461 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -0.377 -3.597 18.320 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -0.572 -2.992 17.605 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -0.195 -4.431 17.885 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -5.798 -5.986 10.442 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -6.229 -6.431 11.172 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -6.516 -5.614 9.930 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -12.556 -6.244 17.494 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -11.925 -6.273 18.214 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -12.106 -6.669 16.764 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -1.113 -1.959 22.991 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -0.789 -2.590 22.348 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.553 -2.494 23.652 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -4.335 -6.032 17.775 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -5.246 -5.975 18.064 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -3.830 -6.092 18.586 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -9.507 -4.403 16.602 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -10.396 -4.303 16.262 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -9.211 -5.245 16.256 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -5.854 -4.403 14.258 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -4.922 -4.274 14.436 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -6.069 -3.733 13.609 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 0.070 -6.797 21.039 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -0.607 -6.666 21.703 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -0.416 -6.952 20.229 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -3.015 -3.244 19.662 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -2.451 -3.791 19.115 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -3.163 -3.766 20.451 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -8.013 -7.108 16.080 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -8.330 -8.010 16.045 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -7.232 -7.106 15.528 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -4.389 -4.856 22.076 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -5.224 -4.402 22.186 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -3.865 -4.580 22.828 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 0.053 -5.829 11.960 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -0.885 -5.717 11.809 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 0.350 -4.972 12.266 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 0.771 -3.962 13.621 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 1.663 -4.099 13.940 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 0.828 -3.171 13.084 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 5.656 -3.752 13.315 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 5.102 -4.148 12.643 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 5.757 -2.842 13.038 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -3.359 -5.013 15.225 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -2.547 -4.509 15.271 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -3.604 -5.158 16.139 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -2.823 -4.027 24.410 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -2.704 -3.453 25.167 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -2.168 -4.715 24.525 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -6.818 -6.869 12.851 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -6.901 -5.980 13.197 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -5.928 -7.134 13.082 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 1.983 -2.369 19.341 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 1.186 -2.784 19.012 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 2.428 -3.060 19.832 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -10.243 -3.777 11.027 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -10.288 -2.838 11.206 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -11.131 -4.013 10.757 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -6.190 -5.068 26.022 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -6.040 -5.797 25.419 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -6.188 -4.291 25.463 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -5.778 -6.698 23.514 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -5.242 -6.247 22.862 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -6.630 -6.806 23.092 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -4.196 -1.259 23.754 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -3.445 -1.415 23.181 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -4.535 -0.407 23.478 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 0.220 -3.444 28.782 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 0.412 -4.375 28.671 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 1.077 -3.019 28.772 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 1.536 -0.655 26.860 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 1.255 0.054 26.282 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 2.479 -0.728 26.709 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -3.708 -4.920 27.509 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -3.944 -5.140 28.411 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -4.491 -5.127 27.000 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -4.397 -8.265 28.671 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -4.528 -8.741 27.850 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -4.996 -7.521 28.615 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 4.112 -3.655 11.032 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 4.209 -2.988 10.352 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 3.972 -4.471 10.550 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 3.282 -2.275 16.653 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 3.132 -3.220 16.633 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 2.928 -1.994 17.497 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 5.635 -2.402 26.976 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 4.772 -2.781 26.811 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 6.239 -3.141 26.902 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 3.360 -6.247 10.149 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 3.970 -6.619 10.786 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 2.523 -6.669 10.345 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 2.992 -4.692 15.115 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 3.272 -5.599 15.240 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 3.751 -4.258 14.726 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 3.604 -4.111 20.551 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 4.537 -3.899 20.517 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 3.369 -4.009 21.474 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 3.633 -3.374 23.327 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 2.790 -3.106 23.693 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 4.076 -2.552 23.116 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 5.916 -9.394 28.681 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 6.266 -10.048 28.075 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 6.063 -8.557 28.241 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -10.864 -6.614 19.695 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -10.419 -7.406 19.997 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -10.398 -5.898 20.126 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 5.436 -7.285 27.030 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 4.519 -7.014 26.994 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 5.559 -7.820 26.246 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 5.472 -7.362 11.692 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 5.885 -8.083 11.216 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 6.154 -6.692 11.750 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -12.247 -7.357 14.819 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -13.172 -7.148 14.689 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -11.793 -6.873 14.129 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -12.283 -8.619 23.163 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -12.948 -8.865 23.806 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -12.726 -7.997 22.586 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 4.437 -9.195 24.849 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 3.624 -8.870 24.461 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 4.670 -9.955 24.316 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -10.970 -9.314 12.797 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -10.531 -8.703 12.206 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -11.604 -8.776 13.271 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -9.109 -7.398 11.240 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -8.618 -8.028 10.712 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -8.486 -7.102 11.903 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -7.876 -9.247 28.047 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -6.977 -9.521 27.862 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -8.262 -9.990 28.511 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -1.953 -2.254 30.299 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -1.252 -2.232 30.950 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -1.651 -2.882 29.643 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 3.968 -9.590 31.710 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 3.069 -9.451 32.005 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 4.220 -8.759 31.308 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -2.680 -6.431 30.197 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -2.934 -6.412 31.120 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -2.937 -7.303 29.896 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -5.798 -5.986 29.298 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.229 -6.431 30.028 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -6.516 -5.614 28.786 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 0.053 -5.829 30.816 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -0.885 -5.717 30.665 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 0.350 -4.972 31.122 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 4.112 -3.655 29.888 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 4.209 -2.988 29.208 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 3.972 -4.471 29.406 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 3.360 -6.247 29.005 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 3.970 -6.619 29.642 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 2.523 -6.669 29.201 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 5.472 -7.362 30.548 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 5.885 -8.083 30.072 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 6.154 -6.692 30.606 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 7.640 -30.154 8.335 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 8.180 -30.371 9.094 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 7.159 -30.960 8.145 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 9.121 -28.925 4.757 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 8.401 -28.485 4.306 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 8.755 -29.176 5.606 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 11.386 -32.344 26.353 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 11.394 -32.480 25.405 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 10.470 -32.462 26.605 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 6.734 -33.371 20.527 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 7.680 -33.515 20.508 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 6.621 -32.587 21.064 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 9.978 -30.570 16.672 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 10.130 -30.918 17.551 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 9.127 -30.926 16.417 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 14.453 -31.730 22.826 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 14.816 -30.875 22.593 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 14.985 -32.022 23.567 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 12.622 -30.857 16.056 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 11.672 -30.752 16.108 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 12.973 -30.037 16.401 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 8.429 -32.041 22.838 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 8.646 -32.973 22.807 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 8.676 -31.767 23.722 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 8.351 -32.767 15.861 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 7.519 -32.294 15.888 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 8.897 -32.257 15.262 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 7.640 -30.154 27.191 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 8.180 -30.371 27.950 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 7.159 -30.960 27.001 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 12.237 -31.235 28.811 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 13.005 -31.694 29.152 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 12.216 -31.461 27.881 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 7.093 -30.984 18.212 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 6.759 -31.865 18.384 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 7.315 -30.639 19.076 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 8.765 -33.156 27.307 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 7.944 -32.981 26.847 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 8.513 -33.229 28.228 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 11.719 -32.181 23.566 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 11.294 -31.372 23.283 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 12.624 -32.096 23.264 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 16.299 -29.437 21.819 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 15.842 -28.908 21.165 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 16.462 -28.834 22.544 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 8.536 -30.302 20.524 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 8.517 -30.727 21.381 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 9.341 -30.620 20.115 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 10.677 -31.592 19.179 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 10.458 -32.508 19.348 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 11.501 -31.452 19.645 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 13.214 -31.122 20.027 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 13.427 -32.010 19.740 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 13.279 -31.156 20.982 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 7.787 -31.078 13.695 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 7.102 -31.116 13.027 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 7.790 -30.165 13.983 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 9.605 -30.158 10.720 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 9.337 -29.871 11.593 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 10.376 -30.704 10.872 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 6.223 -29.065 35.263 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 5.576 -29.527 34.730 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 6.578 -29.737 35.846 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 7.787 -31.078 32.551 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 7.102 -31.116 31.883 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 7.790 -30.165 32.839 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 9.605 -30.158 29.576 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 9.337 -29.871 30.449 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 10.376 -30.704 29.728 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 7.640 -11.298 -10.521 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 8.180 -11.515 -9.762 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 7.159 -12.104 -10.711 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 6.223 -10.209 -21.305 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 5.576 -10.671 -21.838 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 6.578 -10.881 -20.722 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 7.093 -12.128 -19.500 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 6.759 -13.009 -19.328 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 7.315 -11.783 -18.636 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 9.121 -10.069 -14.099 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 8.401 -9.629 -14.550 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 8.755 -10.320 -13.250 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 11.588 -10.469 -15.069 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 10.723 -10.397 -14.665 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 11.533 -9.922 -15.853 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 8.536 -11.446 -17.188 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 8.517 -11.871 -16.331 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 9.341 -11.764 -17.597 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 10.353 -15.492 1.643 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 9.983 -16.294 1.274 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 11.294 -15.661 1.690 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 6.963 -21.832 -2.964 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 6.515 -20.986 -2.982 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 6.402 -22.412 -3.479 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 7.673 -19.670 -0.838 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 7.887 -20.440 -0.311 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 8.411 -19.581 -1.441 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 11.746 -24.629 -0.479 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 11.789 -23.769 -0.897 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 11.288 -25.181 -1.112 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 8.366 -22.232 0.283 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 9.020 -22.782 0.715 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 8.390 -22.506 -0.633 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 10.556 -25.711 3.595 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 10.337 -25.181 2.829 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 9.888 -25.484 4.243 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 13.125 -18.035 3.883 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 12.385 -17.437 3.986 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 13.839 -17.481 3.567 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 10.150 -23.819 1.548 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 10.763 -23.186 1.921 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 10.662 -24.291 0.891 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 11.533 -16.071 4.670 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 11.527 -15.192 4.292 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 10.679 -16.154 5.095 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 12.267 -19.959 2.016 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 12.832 -19.838 1.253 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 12.586 -19.322 2.655 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 11.386 -13.488 7.497 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 11.394 -13.624 6.549 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 10.470 -13.606 7.749 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 9.978 -11.714 -2.184 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 10.130 -12.062 -1.305 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 9.127 -12.070 -2.439 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 9.232 -15.972 5.830 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 9.449 -16.333 6.690 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 8.377 -16.346 5.620 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 11.942 -22.536 2.921 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 11.300 -22.577 3.630 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 11.979 -21.610 2.683 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 6.300 -25.100 -1.362 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 6.931 -25.129 -0.642 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 6.750 -25.525 -2.092 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 9.349 -23.259 -2.254 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 8.460 -23.159 -2.594 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 9.645 -24.101 -2.600 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 9.811 -17.507 8.068 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 10.544 -17.253 8.629 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 9.031 -17.303 8.583 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 10.136 -18.204 0.674 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 10.881 -18.206 0.073 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 10.214 -19.028 1.156 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 14.161 -20.226 8.202 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 13.865 -20.392 7.307 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 15.092 -20.446 8.192 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 9.421 -27.851 0.844 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 9.192 -27.792 -0.083 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 8.978 -28.643 1.151 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 8.351 -13.911 -2.995 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 7.519 -13.438 -2.968 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 8.897 -13.401 -3.594 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 7.640 -11.298 8.335 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 8.180 -11.515 9.094 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 7.159 -12.104 8.145 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 7.547 -17.488 9.289 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 7.691 -18.390 9.003 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 6.774 -17.202 8.801 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 14.202 -17.518 8.722 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 13.874 -17.247 7.864 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 14.354 -18.459 8.634 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 12.326 -21.279 6.083 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 11.708 -20.604 6.364 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 12.670 -20.958 5.250 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 12.666 -23.924 7.166 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 12.816 -24.653 6.563 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 12.668 -23.147 6.607 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 13.078 -25.554 4.658 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 13.614 -25.103 4.006 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 12.226 -25.662 4.236 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 14.660 -20.115 4.898 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 15.411 -20.271 4.325 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 14.321 -19.263 4.622 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 11.144 -22.726 9.077 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 10.377 -23.258 8.867 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 11.823 -23.036 8.478 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 9.325 -24.805 8.782 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 9.536 -25.512 8.171 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 9.213 -25.243 9.626 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 7.093 -12.128 -0.644 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 6.759 -13.009 -0.472 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 7.315 -11.783 0.220 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 7.992 -25.470 0.839 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 8.437 -26.262 1.141 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 8.458 -24.754 1.270 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 6.573 -27.475 4.307 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 5.908 -27.721 4.950 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 6.130 -26.853 3.730 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 8.765 -14.300 8.451 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 7.944 -14.125 7.991 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 8.513 -14.373 9.372 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 11.719 -13.325 4.710 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 11.294 -12.516 4.427 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 12.624 -13.240 4.408 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 9.121 -10.069 4.757 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 8.401 -9.629 4.306 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 8.755 -10.320 5.606 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 11.588 -10.469 3.787 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 10.723 -10.397 4.191 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 11.533 -9.922 3.003 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 8.536 -11.446 1.668 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 8.517 -11.871 2.525 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 9.341 -11.764 1.259 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 10.677 -12.736 0.323 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 10.458 -13.652 0.492 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 11.501 -12.596 0.789 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 7.787 -12.222 -5.161 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 7.102 -12.260 -5.829 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 7.790 -11.309 -4.873 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 9.007 -27.454 7.655 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 8.641 -28.219 8.098 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 9.920 -27.425 7.942 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 10.980 -28.103 9.191 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 11.879 -28.377 9.006 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 10.594 -28.846 9.655 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 9.429 -19.942 21.964 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 9.471 -20.568 22.688 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 10.132 -19.319 22.146 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 10.353 -15.492 20.499 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 9.983 -16.294 20.130 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 11.294 -15.661 20.546 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 7.673 -19.670 18.018 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 7.887 -20.440 18.545 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 8.411 -19.581 17.415 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 11.746 -24.629 18.377 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 11.789 -23.769 17.959 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 11.288 -25.181 17.744 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 13.522 -20.682 18.355 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 14.138 -21.208 18.864 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 12.936 -21.322 17.951 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 13.125 -18.035 22.739 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 12.385 -17.437 22.842 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 13.839 -17.481 22.423 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 11.533 -16.071 23.526 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 11.527 -15.192 23.148 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 10.679 -16.154 23.951 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 14.582 -28.405 19.904 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 14.465 -29.354 19.850 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 13.727 -28.073 20.177 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 11.900 -18.728 17.239 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 11.570 -19.098 16.420 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 12.488 -19.398 17.585 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 12.267 -19.959 20.872 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 12.832 -19.838 20.109 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 12.586 -19.322 21.511 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 13.147 -15.560 25.589 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 12.835 -14.778 26.045 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 12.497 -15.713 24.903 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 11.386 -13.488 26.353 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 11.394 -13.624 25.405 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 10.470 -13.606 26.605 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 10.890 -19.658 14.828 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 10.598 -18.890 14.337 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 10.216 -20.318 14.665 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 6.983 -17.295 23.643 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 6.482 -17.323 22.828 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 6.989 -18.201 23.953 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 6.734 -14.515 20.527 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 7.680 -14.659 20.508 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 6.621 -13.731 21.064 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 9.978 -11.714 16.672 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 10.130 -12.062 17.551 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 9.127 -12.070 16.417 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 9.232 -15.972 24.686 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 9.449 -16.333 25.546 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 8.377 -16.346 24.476 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 16.514 -27.780 24.056 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 16.934 -28.195 24.809 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 15.581 -27.958 24.173 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 11.942 -22.536 21.777 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 11.300 -22.577 22.486 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 11.979 -21.610 21.539 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 11.939 -22.315 16.689 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 11.046 -22.656 16.630 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 12.390 -22.692 15.933 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 16.577 -21.724 26.994 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 16.014 -22.428 27.314 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 17.403 -21.844 27.461 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 13.058 -24.842 10.442 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 12.627 -25.287 11.172 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 12.340 -24.470 9.930 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 14.521 -24.888 17.775 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 13.610 -24.831 18.064 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 15.026 -24.948 18.586 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 13.002 -23.259 14.258 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 13.934 -23.130 14.436 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 12.787 -22.589 13.609 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 11.676 -22.064 11.825 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 11.134 -22.444 11.134 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 12.510 -21.870 11.396 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 10.843 -25.964 16.080 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 10.526 -26.866 16.045 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 11.624 -25.962 15.528 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 14.467 -23.712 22.076 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 13.632 -23.258 22.186 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 14.991 -23.436 22.828 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 10.136 -18.204 19.530 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 10.881 -18.206 18.929 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 10.214 -19.028 20.012 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 14.161 -20.226 27.058 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 13.865 -20.392 26.163 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 15.092 -20.446 27.048 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 12.511 -14.686 16.935 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 13.038 -13.913 16.734 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 11.631 -14.461 16.633 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 8.266 -19.824 11.522 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 8.882 -19.197 11.901 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 7.404 -19.508 11.793 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 12.622 -12.001 16.056 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 11.672 -11.896 16.108 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 12.973 -11.181 16.401 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 8.429 -13.185 22.838 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 8.646 -14.117 22.807 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 8.676 -12.911 23.722 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 13.228 -15.164 12.504 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 13.375 -15.684 13.294 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 13.225 -14.257 12.810 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 9.681 -17.911 13.014 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 8.995 -17.559 13.581 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 10.204 -17.148 12.768 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 16.033 -22.883 24.410 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 16.152 -22.309 25.167 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 16.688 -23.571 24.525 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 12.038 -25.725 12.851 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 11.955 -24.836 13.197 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 12.928 -25.990 13.082 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 10.297 -15.297 11.911 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 10.889 -14.598 12.187 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 10.756 -15.730 11.192 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 7.640 -11.298 27.191 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 8.180 -11.515 27.950 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 7.159 -12.104 27.001 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 11.888 -17.144 10.277 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 11.952 -17.938 10.808 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 12.541 -17.263 9.588 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 14.202 -17.518 27.578 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 13.874 -17.247 26.720 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 14.354 -18.459 27.490 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 14.108 -20.929 10.846 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 13.928 -21.083 9.918 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 15.059 -20.821 10.890 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 14.660 -20.115 23.754 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 15.411 -20.271 23.181 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 14.321 -19.263 23.478 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 13.884 -28.098 23.946 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 13.786 -27.151 23.840 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 13.141 -28.470 23.470 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 15.148 -23.776 27.509 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 14.912 -23.996 28.411 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 14.365 -23.983 27.000 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 17.864 -24.649 26.585 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 16.916 -24.617 26.717 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 18.176 -25.274 27.239 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 14.106 -28.804 26.617 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 14.818 -29.444 26.603 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 14.005 -28.537 25.703 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 14.459 -27.121 28.671 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 14.328 -27.597 27.850 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 13.860 -26.377 28.615 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 7.173 -19.053 20.663 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 7.357 -19.135 19.728 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 8.022 -19.177 21.087 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 8.765 -14.300 27.307 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 7.944 -14.125 26.847 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 8.513 -14.373 28.228 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 9.121 -10.069 23.613 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 8.401 -9.629 23.162 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 8.755 -10.320 24.462 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 8.536 -11.446 20.524 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 8.517 -11.871 21.381 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.341 -11.764 20.115 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 10.677 -12.736 19.179 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 10.458 -13.652 19.348 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 11.501 -12.596 19.645 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 13.629 -28.041 16.807 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 14.503 -27.653 16.777 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 13.493 -28.256 17.730 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 9.747 -26.254 11.240 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 10.238 -26.884 10.712 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 10.370 -25.958 11.903 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 10.980 -28.103 28.047 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 11.879 -28.377 27.862 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.594 -28.846 28.511 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 9.605 -11.302 10.720 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 9.337 -11.015 11.593 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 10.376 -11.848 10.872 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 6.963 -21.832 34.748 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 6.515 -20.986 34.730 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 6.402 -22.412 34.233 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 7.654 -16.400 33.164 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 7.382 -16.171 32.275 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 7.699 -15.562 33.624 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 16.903 -21.110 30.299 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 17.604 -21.088 30.950 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 17.205 -21.738 29.643 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 10.890 -19.658 33.684 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 10.598 -18.890 33.193 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 10.216 -20.318 33.521 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 16.176 -25.287 30.197 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 15.922 -25.268 31.120 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 15.919 -26.159 29.896 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 13.058 -24.842 29.298 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 12.627 -25.287 30.028 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 12.340 -24.470 28.786 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 6.300 -25.100 36.350 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 6.931 -25.129 37.070 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 6.750 -25.525 35.620 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 7.575 -24.354 31.774 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 8.049 -23.763 31.189 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 6.857 -23.823 32.121 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 13.002 -23.259 33.114 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 13.934 -23.130 33.292 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 12.787 -22.589 32.465 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.676 -22.064 30.681 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 11.134 -22.444 29.990 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 12.510 -21.870 30.252 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 14.291 -14.734 28.904 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 14.530 -15.482 28.356 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 14.022 -15.122 29.736 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.228 -15.164 31.360 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.375 -15.684 32.150 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 13.225 -14.257 31.666 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 9.681 -17.911 31.870 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 8.995 -17.559 32.437 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 10.204 -17.148 31.624 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 12.038 -25.725 31.707 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.955 -24.836 32.053 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 12.928 -25.990 31.938 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 10.297 -15.297 30.767 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.889 -14.598 31.043 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 10.756 -15.730 30.048 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 11.888 -17.144 29.133 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 11.952 -17.938 29.664 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 12.541 -17.263 28.444 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 13.037 -19.172 31.439 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 12.578 -19.656 32.125 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 13.292 -19.840 30.803 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 14.108 -20.929 29.702 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 13.928 -21.083 28.774 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 15.059 -20.821 29.746 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 7.574 -15.602 30.186 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 8.488 -15.523 30.459 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 7.581 -16.289 29.519 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 6.609 -26.213 33.675 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 5.684 -26.004 33.545 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 7.063 -25.729 32.985 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 7.886 -28.170 31.653 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 8.325 -27.559 31.062 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 7.252 -27.632 32.127 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 9.747 -26.254 30.096 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 10.238 -26.884 29.568 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.370 -25.958 30.759 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 10.353 3.364 -17.213 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.983 2.562 -17.582 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 11.294 3.195 -17.166 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 6.963 -2.976 -21.820 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 6.515 -2.130 -21.838 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 6.402 -3.556 -22.335 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 7.673 -0.814 -19.694 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.887 -1.584 -19.167 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 8.411 -0.725 -20.297 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 11.746 -5.773 -19.335 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 11.789 -4.913 -19.753 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 11.288 -6.325 -19.968 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 13.522 -1.826 -19.357 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 14.138 -2.352 -18.848 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 12.936 -2.466 -19.761 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 11.900 0.128 -20.473 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 11.570 -0.242 -21.292 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.488 -0.542 -20.127 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 12.267 -1.103 -16.840 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 12.832 -0.982 -17.603 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 12.586 -0.466 -16.201 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 10.067 -0.506 -12.894 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 10.137 0.145 -12.196 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 9.176 -0.403 -13.229 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 6.983 1.561 -14.069 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 6.482 1.533 -14.884 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 6.989 0.655 -13.759 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 6.734 4.341 -17.185 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 7.680 4.197 -17.204 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 6.621 5.125 -16.648 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 9.232 2.884 -13.026 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.449 2.523 -12.166 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 8.377 2.510 -13.236 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 11.851 -8.646 -17.030 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 10.990 -8.733 -17.438 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 11.829 -7.790 -16.603 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 11.942 -3.680 -15.935 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 11.300 -3.721 -15.226 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 11.979 -2.754 -16.173 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 11.939 -3.459 -21.023 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 11.046 -3.800 -21.082 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 12.390 -3.836 -21.779 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 9.349 -4.403 -21.110 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 8.460 -4.303 -21.450 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 9.645 -5.245 -21.456 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.811 1.349 -10.788 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 10.544 1.603 -10.227 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.031 1.553 -10.273 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 10.843 -7.108 -21.632 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 10.526 -8.010 -21.667 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 11.624 -7.106 -22.184 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 14.467 -4.856 -15.636 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 13.632 -4.402 -15.526 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 14.991 -4.580 -14.884 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 10.136 0.652 -18.182 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 10.881 0.650 -18.783 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 10.214 -0.172 -17.700 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 9.421 -8.995 -18.012 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 9.192 -8.936 -18.939 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 8.978 -9.787 -17.705 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 7.547 1.368 -9.567 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 7.691 0.466 -9.853 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 6.774 1.654 -10.055 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 8.379 -1.432 -10.147 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 8.787 -2.289 -10.268 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 8.119 -1.417 -9.226 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 12.326 -2.423 -12.773 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 11.708 -1.748 -12.492 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 12.670 -2.102 -13.606 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 12.666 -5.068 -11.690 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 12.816 -5.797 -12.293 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 12.668 -4.291 -12.249 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 13.078 -6.698 -14.198 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 13.614 -6.247 -14.850 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.226 -6.806 -14.620 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 11.144 -3.870 -9.779 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 10.377 -4.402 -9.989 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 11.823 -4.180 -10.378 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 9.325 -5.949 -10.074 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 9.536 -6.656 -10.685 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 9.213 -6.387 -9.230 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 6.609 -7.357 -22.893 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 5.684 -7.148 -23.023 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 7.063 -6.873 -23.583 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 6.573 -8.619 -14.549 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 5.908 -8.865 -13.906 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 6.130 -7.997 -15.126 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 9.049 -9.112 -20.718 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 8.272 -9.346 -21.226 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 9.580 -9.909 -20.710 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.007 -8.598 -11.201 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 8.641 -9.363 -10.758 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 9.920 -8.569 -10.914 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 6.963 -2.976 -2.964 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 6.515 -2.130 -2.982 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 6.402 -3.556 -3.479 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 8.366 -3.376 0.283 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 9.020 -3.926 0.715 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 8.390 -3.650 -0.633 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 10.556 -6.855 3.595 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 10.337 -6.325 2.829 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 9.888 -6.628 4.243 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 10.150 -4.963 1.548 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.763 -4.330 1.921 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 10.662 -5.435 0.891 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 7.575 -5.498 -5.938 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 8.049 -4.907 -6.523 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 6.857 -4.967 -5.591 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 9.349 -4.403 -2.254 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 8.460 -4.303 -2.594 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 9.645 -5.245 -2.600 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 10.843 -7.108 -2.776 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 10.526 -8.010 -2.811 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 11.624 -7.106 -3.328 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 8.266 -0.968 -7.334 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 8.882 -0.341 -6.955 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 7.404 -0.652 -7.063 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 8.613 -3.777 -7.829 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 8.568 -2.838 -7.650 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 7.725 -4.013 -8.099 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 9.421 -8.995 0.844 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 9.192 -8.936 -0.083 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 8.978 -9.787 1.151 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 7.574 3.254 -7.526 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 8.488 3.333 -7.253 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 7.581 2.567 -8.193 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 7.992 -6.614 0.839 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 8.437 -7.406 1.141 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 8.458 -5.898 1.270 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 6.296 -3.615 1.908 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 6.788 -3.836 1.118 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 6.658 -2.774 2.189 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 6.609 -7.357 -4.037 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 5.684 -7.148 -4.167 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 7.063 -6.873 -4.727 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 6.573 -8.619 4.307 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 5.908 -8.865 4.950 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 6.130 -7.997 3.730 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.049 -9.112 -1.862 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.272 -9.346 -2.370 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 9.580 -9.909 -1.854 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 7.886 -9.314 -6.059 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 8.325 -8.703 -6.650 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.252 -8.776 -5.585 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 9.747 -7.398 -7.616 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 10.238 -8.028 -8.144 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 10.370 -7.102 -6.953 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 9.007 -8.598 7.655 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 8.641 -9.363 8.098 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.920 -8.569 7.942 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 6.963 -2.976 15.892 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 6.515 -2.130 15.874 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 6.402 -3.556 15.377 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 11.746 -5.773 18.377 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 11.789 -4.913 17.959 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 11.288 -6.325 17.744 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 8.366 -3.376 19.139 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 9.020 -3.926 19.571 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 8.390 -3.650 18.223 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 10.150 -4.963 20.404 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 10.763 -4.330 20.777 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 10.662 -5.435 19.747 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 11.851 -8.646 20.682 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 10.990 -8.733 20.274 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 11.829 -7.790 21.109 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 7.575 -5.498 12.918 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 8.049 -4.907 12.333 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 6.857 -4.967 13.265 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.349 -4.403 16.602 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.460 -4.303 16.262 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.645 -5.245 16.256 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 10.843 -7.108 16.080 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 10.526 -8.010 16.045 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 11.624 -7.106 15.528 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 12.038 -6.869 12.851 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 11.955 -5.980 13.197 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 12.928 -7.134 13.082 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 9.421 -8.995 19.700 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 9.192 -8.936 18.773 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 8.978 -9.787 20.007 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 6.771 -4.926 26.804 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 7.690 -5.048 27.040 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 6.321 -5.676 27.193 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 7.992 -6.614 19.695 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 8.437 -7.406 19.997 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 8.458 -5.898 20.126 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 6.296 -3.615 20.764 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 6.788 -3.836 19.974 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 6.658 -2.774 21.045 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 6.573 -8.619 23.163 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.908 -8.865 23.806 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 6.130 -7.997 22.586 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 7.886 -9.314 12.797 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 8.325 -8.703 12.206 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 7.252 -8.776 13.271 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 9.747 -7.398 11.240 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 10.238 -8.028 10.712 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 10.370 -7.102 11.903 0.00 0.00 WAT1 END