REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1552.52, 81.4973, 98.9216, 45.53, 425.878, -267.666, -1937.31, 0.628987, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.317526E-03,0.485625,1.25342,42.6961,2.479003E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:50 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -6.819 -8.761 20.858 1.00 73.21 ATOM 2 CB MET 1 -6.601 -7.209 22.325 1.00 72.31 ATOM 3 HB1 MET 1 -7.667 -7.125 22.482 1.00 37.12 ATOM 4 HB2 MET 1 -6.300 -6.482 21.582 1.00 31.40 ATOM 5 CG MET 1 -5.898 -6.866 23.635 1.00 44.11 ATOM 6 HG1 MET 1 -4.831 -6.978 23.500 1.00 37.12 ATOM 7 HG2 MET 1 -6.237 -7.550 24.399 1.00 70.42 ATOM 8 SD MET 1 -6.240 -5.179 24.178 1.00 10.31 ATOM 9 CE MET 1 -5.290 -5.105 25.698 1.00 64.12 ATOM 10 HE1 MET 1 -4.247 -5.273 25.478 1.00 25.21 ATOM 11 HE2 MET 1 -5.641 -5.864 26.382 1.00 33.32 ATOM 12 HE3 MET 1 -5.410 -4.131 26.149 1.00 1.34 ATOM 13 C MET 1 -4.786 -8.759 21.526 1.00 1.50 ATOM 14 O MET 1 -4.099 -9.524 22.208 1.00 52.31 ATOM 15 N MET 1 -6.767 -9.652 22.749 1.00 4.30 ATOM 16 HT1 MET 1 -6.236 -9.593 23.641 1.00 37.12 ATOM 17 HT2 MET 1 -6.634 -10.601 22.346 1.00 37.12 ATOM 18 HT3 MET 1 -7.778 -9.517 22.951 1.00 37.12 ATOM 19 CA MET 1 -6.291 -8.617 21.792 1.00 74.31 ATOM 20 N GLY 2 -4.281 -8.015 20.542 1.00 72.35 ATOM 21 HN GLY 2 -4.879 -7.420 20.036 1.00 37.12 ATOM 22 CA GLY 2 -2.862 -8.072 20.199 1.00 61.23 ATOM 23 HA1 GLY 2 -2.687 -7.422 19.355 1.00 37.12 ATOM 24 HA2 GLY 2 -2.616 -9.084 19.910 1.00 51.21 ATOM 25 C GLY 2 -1.938 -7.650 21.343 1.00 54.43 ATOM 26 O GLY 2 -2.211 -6.681 22.056 1.00 75.31 ATOM 27 N HIS 3 -0.832 -8.370 21.499 1.00 43.50 ATOM 28 HN HIS 3 -0.645 -9.092 20.859 1.00 37.12 ATOM 29 CA HIS 3 0.115 -8.129 22.591 1.00 50.25 ATOM 30 HA HIS 3 -0.441 -8.158 23.519 1.00 35.50 ATOM 31 CB HIS 3 1.160 -9.251 22.610 1.00 14.44 ATOM 32 HB1 HIS 3 1.617 -9.319 21.632 1.00 37.12 ATOM 33 HB2 HIS 3 0.667 -10.186 22.831 1.00 4.44 ATOM 34 CG HIS 3 2.255 -9.064 23.615 1.00 2.15 ATOM 35 ND1 HIS 3 3.484 -8.542 23.288 1.00 63.53 ATOM 36 HD1 HIS 3 3.765 -8.258 22.391 1.00 41.43 ATOM 37 CD2 HIS 3 2.309 -9.339 24.939 1.00 41.11 ATOM 38 HD2 HIS 3 1.514 -9.763 25.540 1.00 30.04 ATOM 39 CE1 HIS 3 4.245 -8.505 24.361 1.00 63.01 ATOM 40 HE1 HIS 3 5.259 -8.138 24.402 1.00 71.20 ATOM 41 NE2 HIS 3 3.559 -8.982 25.378 1.00 65.03 ATOM 42 HE2 HIS 3 3.962 -9.286 26.222 1.00 37.12 ATOM 43 C HIS 3 0.816 -6.761 22.476 1.00 22.10 ATOM 44 O HIS 3 1.226 -6.347 21.392 1.00 52.40 ATOM 45 N HIS 4 0.935 -6.071 23.614 1.00 5.04 ATOM 46 HN HIS 4 0.493 -6.419 24.421 1.00 37.12 ATOM 47 CA HIS 4 1.706 -4.820 23.719 1.00 32.20 ATOM 48 HA HIS 4 1.651 -4.504 24.750 1.00 24.44 ATOM 49 CB HIS 4 3.183 -5.093 23.377 1.00 74.44 ATOM 50 HB1 HIS 4 3.267 -5.313 22.321 1.00 37.12 ATOM 51 HB2 HIS 4 3.520 -5.951 23.941 1.00 30.40 ATOM 52 CG HIS 4 4.106 -3.954 23.689 1.00 73.21 ATOM 53 ND1 HIS 4 4.761 -3.229 22.717 1.00 71.14 ATOM 54 HD1 HIS 4 4.697 -3.379 21.750 1.00 64.35 ATOM 55 CD2 HIS 4 4.486 -3.415 24.874 1.00 71.53 ATOM 56 HD2 HIS 4 4.163 -3.729 25.856 1.00 74.45 ATOM 57 CE1 HIS 4 5.504 -2.301 23.285 1.00 11.12 ATOM 58 HE1 HIS 4 6.126 -1.583 22.768 1.00 3.13 ATOM 59 NE2 HIS 4 5.355 -2.392 24.590 1.00 1.44 ATOM 60 HE2 HIS 4 5.724 -1.761 25.244 1.00 37.12 ATOM 61 C HIS 4 1.135 -3.680 22.840 1.00 21.53 ATOM 62 O HIS 4 1.814 -2.688 22.574 1.00 41.51 ATOM 63 N HIS 5 -0.120 -3.808 22.410 1.00 20.45 ATOM 64 HN HIS 5 -0.615 -4.628 22.619 1.00 37.12 ATOM 65 CA HIS 5 -0.777 -2.747 21.635 1.00 55.22 ATOM 66 HA HIS 5 -0.027 -2.295 21.000 1.00 11.15 ATOM 67 CB HIS 5 -1.883 -3.328 20.744 1.00 61.53 ATOM 68 HB1 HIS 5 -2.492 -2.519 20.361 1.00 37.12 ATOM 69 HB2 HIS 5 -2.502 -3.989 21.333 1.00 51.02 ATOM 70 CG HIS 5 -1.370 -4.105 19.570 1.00 61.23 ATOM 71 ND1 HIS 5 -2.117 -5.056 18.913 1.00 30.35 ATOM 72 HD1 HIS 5 -3.025 -5.337 19.154 1.00 54.42 ATOM 73 CD2 HIS 5 -0.190 -4.038 18.911 1.00 13.41 ATOM 74 HD2 HIS 5 0.644 -3.393 19.153 1.00 31.15 ATOM 75 CE1 HIS 5 -1.421 -5.541 17.903 1.00 4.14 ATOM 76 HE1 HIS 5 -1.755 -6.301 17.212 1.00 34.53 ATOM 77 NE2 HIS 5 -0.251 -4.939 17.879 1.00 43.45 ATOM 78 HE2 HIS 5 0.405 -5.014 17.151 1.00 37.12 ATOM 79 C HIS 5 -1.359 -1.657 22.551 1.00 50.31 ATOM 80 O HIS 5 -2.362 -1.869 23.232 1.00 23.52 ATOM 81 N HIS 6 -0.721 -0.486 22.562 1.00 71.02 ATOM 82 HN HIS 6 0.072 -0.373 21.999 1.00 37.12 ATOM 83 CA HIS 6 -1.172 0.631 23.401 1.00 44.23 ATOM 84 HA HIS 6 -1.326 0.234 24.397 1.00 31.42 ATOM 85 CB HIS 6 -0.087 1.723 23.480 1.00 73.03 ATOM 86 HB1 HIS 6 0.750 1.341 24.047 1.00 37.12 ATOM 87 HB2 HIS 6 -0.492 2.583 23.991 1.00 32.33 ATOM 88 CG HIS 6 0.435 2.187 22.147 1.00 71.02 ATOM 89 ND1 HIS 6 1.583 1.683 21.574 1.00 21.12 ATOM 90 HD1 HIS 6 2.162 0.994 21.962 1.00 74.15 ATOM 91 CD2 HIS 6 -0.025 3.126 21.283 1.00 75.33 ATOM 92 HD2 HIS 6 -0.913 3.730 21.405 1.00 32.44 ATOM 93 CE1 HIS 6 1.804 2.286 20.424 1.00 11.22 ATOM 94 HE1 HIS 6 2.634 2.095 19.760 1.00 41.30 ATOM 95 NE2 HIS 6 0.844 3.164 20.223 1.00 50.14 ATOM 96 HE2 HIS 6 0.675 3.619 19.370 1.00 37.12 ATOM 97 C HIS 6 -2.514 1.220 22.913 1.00 14.21 ATOM 98 O HIS 6 -2.550 2.185 22.152 1.00 1.13 ATOM 99 N HIS 7 -3.616 0.611 23.342 1.00 52.21 ATOM 100 HN HIS 7 -3.526 -0.199 23.890 1.00 37.12 ATOM 101 CA HIS 7 -4.961 1.098 23.004 1.00 21.44 ATOM 102 HA HIS 7 -4.881 2.159 22.809 1.00 1.41 ATOM 103 CB HIS 7 -5.490 0.406 21.736 1.00 32.10 ATOM 104 HB1 HIS 7 -6.571 0.406 21.754 1.00 37.12 ATOM 105 HB2 HIS 7 -5.139 -0.616 21.719 1.00 73.54 ATOM 106 CG HIS 7 -5.051 1.066 20.462 1.00 62.45 ATOM 107 ND1 HIS 7 -3.948 0.668 19.738 1.00 54.13 ATOM 108 HD1 HIS 7 -3.342 -0.069 19.967 1.00 71.31 ATOM 109 CD2 HIS 7 -5.584 2.111 19.782 1.00 11.23 ATOM 110 HD2 HIS 7 -6.466 2.674 20.055 1.00 53.21 ATOM 111 CE1 HIS 7 -3.818 1.439 18.677 1.00 24.34 ATOM 112 HE1 HIS 7 -3.044 1.360 17.930 1.00 45.33 ATOM 113 NE2 HIS 7 -4.796 2.319 18.680 1.00 54.03 ATOM 114 HE2 HIS 7 -4.999 2.940 17.945 1.00 37.12 ATOM 115 C HIS 7 -5.947 0.899 24.165 1.00 22.21 ATOM 116 O HIS 7 -6.242 -0.229 24.564 1.00 52.12 ATOM 117 N HIS 8 -6.449 2.012 24.696 1.00 24.11 ATOM 118 HN HIS 8 -6.150 2.877 24.340 1.00 37.12 ATOM 119 CA HIS 8 -7.446 1.999 25.771 1.00 31.35 ATOM 120 HA HIS 8 -8.072 1.127 25.629 1.00 60.23 ATOM 121 CB HIS 8 -6.764 1.906 27.147 1.00 4.30 ATOM 122 HB1 HIS 8 -6.131 1.031 27.167 1.00 37.12 ATOM 123 HB2 HIS 8 -7.522 1.806 27.910 1.00 41.33 ATOM 124 CG HIS 8 -5.919 3.095 27.493 1.00 22.21 ATOM 125 ND1 HIS 8 -6.293 4.036 28.429 1.00 14.43 ATOM 126 HD1 HIS 8 -7.129 4.031 28.944 1.00 33.44 ATOM 127 CD2 HIS 8 -4.708 3.489 27.033 1.00 4.45 ATOM 128 HD2 HIS 8 -4.110 2.987 26.286 1.00 64.21 ATOM 129 CE1 HIS 8 -5.356 4.956 28.525 1.00 2.04 ATOM 130 HE1 HIS 8 -5.378 5.814 29.180 1.00 70.12 ATOM 131 NE2 HIS 8 -4.385 4.648 27.692 1.00 43.44 ATOM 132 HE2 HIS 8 -3.505 5.084 27.669 1.00 37.12 ATOM 133 C HIS 8 -8.331 3.253 25.687 1.00 2.43 ATOM 134 O HIS 8 -7.829 4.373 25.557 1.00 23.51 ATOM 135 N SER 9 -9.644 3.062 25.752 1.00 52.25 ATOM 136 HN SER 9 -9.984 2.162 25.941 1.00 37.12 ATOM 137 CA SER 9 -10.603 4.161 25.554 1.00 21.43 ATOM 138 HA SER 9 -10.222 4.791 24.761 1.00 14.51 ATOM 139 CB SER 9 -11.960 3.596 25.122 1.00 34.31 ATOM 140 HB1 SER 9 -12.655 4.410 24.967 1.00 37.12 ATOM 141 HB2 SER 9 -12.340 2.942 25.894 1.00 54.10 ATOM 142 OG SER 9 -11.847 2.856 23.915 1.00 11.34 ATOM 143 HG SER 9 -12.718 2.535 23.657 1.00 64.14 ATOM 144 C SER 9 -10.776 5.016 26.819 1.00 64.33 ATOM 145 O SER 9 -11.086 4.501 27.896 1.00 25.55 ATOM 146 N HIS 10 -10.574 6.328 26.680 1.00 21.31 ATOM 147 HN HIS 10 -10.299 6.676 25.802 1.00 37.12 ATOM 148 CA HIS 10 -10.723 7.271 27.799 1.00 14.35 ATOM 149 HA HIS 10 -11.442 6.855 28.491 1.00 64.32 ATOM 150 CB HIS 10 -9.377 7.434 28.521 1.00 35.33 ATOM 151 HB1 HIS 10 -8.626 7.736 27.806 1.00 37.12 ATOM 152 HB2 HIS 10 -9.091 6.485 28.952 1.00 40.12 ATOM 153 CG HIS 10 -9.397 8.449 29.626 1.00 71.12 ATOM 154 ND1 HIS 10 -10.037 8.240 30.826 1.00 2.42 ATOM 155 HD1 HIS 10 -10.528 7.428 31.080 1.00 2.50 ATOM 156 CD2 HIS 10 -8.851 9.687 29.709 1.00 71.33 ATOM 157 HD2 HIS 10 -8.270 10.185 28.945 1.00 72.23 ATOM 158 CE1 HIS 10 -9.892 9.298 31.594 1.00 44.02 ATOM 159 HE1 HIS 10 -10.291 9.414 32.591 1.00 13.21 ATOM 160 NE2 HIS 10 -9.173 10.191 30.944 1.00 21.14 ATOM 161 HE2 HIS 10 -8.754 10.978 31.357 1.00 37.12 ATOM 162 C HIS 10 -11.237 8.643 27.319 1.00 42.10 ATOM 163 O HIS 10 -10.601 9.301 26.497 1.00 54.34 ATOM 164 N MET 11 -12.389 9.070 27.846 1.00 71.40 ATOM 165 HN MET 11 -12.861 8.491 28.481 1.00 37.12 ATOM 166 CA MET 11 -12.974 10.379 27.504 1.00 32.02 ATOM 167 HA MET 11 -12.814 10.552 26.448 1.00 51.53 ATOM 168 CB MET 11 -14.485 10.372 27.788 1.00 3.21 ATOM 169 HB1 MET 11 -14.886 11.354 27.578 1.00 37.12 ATOM 170 HB2 MET 11 -14.643 10.148 28.834 1.00 74.10 ATOM 171 CG MET 11 -15.260 9.355 26.960 1.00 65.14 ATOM 172 HG1 MET 11 -16.293 9.361 27.281 1.00 37.12 ATOM 173 HG2 MET 11 -14.839 8.374 27.132 1.00 61.44 ATOM 174 SD MET 11 -15.203 9.708 25.191 1.00 22.22 ATOM 175 CE MET 11 -16.101 8.303 24.532 1.00 73.04 ATOM 176 HE1 MET 11 -16.155 8.384 23.456 1.00 71.44 ATOM 177 HE2 MET 11 -17.099 8.289 24.943 1.00 24.54 ATOM 178 HE3 MET 11 -15.588 7.391 24.800 1.00 12.03 ATOM 179 C MET 11 -12.300 11.510 28.300 1.00 64.32 ATOM 180 O MET 11 -12.380 11.548 29.529 1.00 73.33 ATOM 181 N ALA 12 -11.649 12.438 27.600 1.00 32.34 ATOM 182 HN ALA 12 -11.660 12.393 26.622 1.00 37.12 ATOM 183 CA ALA 12 -10.903 13.520 28.258 1.00 55.42 ATOM 184 HA ALA 12 -11.110 13.469 29.320 1.00 65.42 ATOM 185 CB ALA 12 -9.409 13.301 28.069 1.00 74.23 ATOM 186 HB1 ALA 12 -9.161 13.378 27.020 1.00 71.33 ATOM 187 HB2 ALA 12 -9.140 12.318 28.429 1.00 22.53 ATOM 188 HB3 ALA 12 -8.861 14.048 28.623 1.00 61.21 ATOM 189 C ALA 12 -11.304 14.918 27.751 1.00 41.51 ATOM 190 O ALA 12 -10.928 15.323 26.650 1.00 25.34 ATOM 191 N LYS 13 -12.075 15.638 28.572 1.00 13.13 ATOM 192 HN LYS 13 -12.414 15.208 29.386 1.00 37.12 ATOM 193 CA LYS 13 -12.446 17.041 28.314 1.00 5.42 ATOM 194 HA LYS 13 -13.140 17.322 29.091 1.00 35.53 ATOM 195 CB LYS 13 -11.214 17.952 28.429 1.00 72.53 ATOM 196 HB1 LYS 13 -11.485 18.949 28.110 1.00 37.12 ATOM 197 HB2 LYS 13 -10.437 17.576 27.778 1.00 13.03 ATOM 198 CG LYS 13 -10.653 18.042 29.846 1.00 45.35 ATOM 199 HG1 LYS 13 -10.325 17.058 30.154 1.00 37.12 ATOM 200 HG2 LYS 13 -11.433 18.385 30.510 1.00 40.24 ATOM 201 CD LYS 13 -9.474 19.009 29.932 1.00 31.41 ATOM 202 HD1 LYS 13 -9.770 19.962 29.511 1.00 37.12 ATOM 203 HD2 LYS 13 -8.647 18.608 29.363 1.00 42.01 ATOM 204 CE LYS 13 -9.027 19.223 31.373 1.00 3.33 ATOM 205 HE1 LYS 13 -8.197 19.914 31.382 1.00 37.12 ATOM 206 HE2 LYS 13 -8.709 18.277 31.787 1.00 75.42 ATOM 207 NZ LYS 13 -10.122 19.774 32.216 1.00 20.04 ATOM 208 HZ1 LYS 13 -9.776 19.958 33.179 1.00 11.32 ATOM 209 HZ2 LYS 13 -10.912 19.100 32.271 1.00 13.14 ATOM 210 HZ3 LYS 13 -10.472 20.666 31.811 1.00 40.45 ATOM 211 C LYS 13 -13.146 17.262 26.954 1.00 61.14 ATOM 212 O LYS 13 -12.495 17.372 25.909 1.00 4.13 ATOM 213 N PRO 14 -14.492 17.340 26.953 1.00 30.32 ATOM 214 CA PRO 14 -15.278 17.662 25.756 1.00 62.42 ATOM 215 HA PRO 14 -14.883 17.164 24.881 1.00 63.44 ATOM 216 CB PRO 14 -16.680 17.103 26.081 1.00 73.33 ATOM 217 HB1 PRO 14 -16.949 16.358 25.345 1.00 37.12 ATOM 218 HB2 PRO 14 -17.407 17.905 26.058 1.00 50.34 ATOM 219 CG PRO 14 -16.583 16.499 27.453 1.00 14.53 ATOM 220 HG1 PRO 14 -16.469 15.426 27.374 1.00 37.12 ATOM 221 HG2 PRO 14 -17.470 16.737 28.023 1.00 52.44 ATOM 222 CD PRO 14 -15.369 17.104 28.103 1.00 20.13 ATOM 223 HD1 PRO 14 -14.921 16.409 28.799 1.00 37.12 ATOM 224 HD2 PRO 14 -15.621 18.032 28.597 1.00 73.23 ATOM 225 C PRO 14 -15.347 19.179 25.491 1.00 52.23 ATOM 226 O PRO 14 -15.893 19.934 26.298 1.00 21.21 ATOM 227 N THR 15 -14.785 19.621 24.367 1.00 42.23 ATOM 228 HN THR 15 -14.344 18.976 23.774 1.00 37.12 ATOM 229 CA THR 15 -14.809 21.046 23.985 1.00 72.25 ATOM 230 HA THR 15 -15.455 21.565 24.683 1.00 1.42 ATOM 231 CB THR 15 -13.399 21.684 24.072 1.00 62.21 ATOM 232 HB THR 15 -13.069 21.644 25.100 1.00 61.54 ATOM 233 OG1 THR 15 -13.443 23.060 23.658 1.00 40.32 ATOM 234 HG1 THR 15 -12.555 23.344 23.396 1.00 70.31 ATOM 235 CG2 THR 15 -12.393 20.925 23.213 1.00 2.41 ATOM 236 HG21 THR 15 -11.416 21.372 23.322 1.00 22.44 ATOM 237 HG22 THR 15 -12.694 20.972 22.175 1.00 15.40 ATOM 238 HG23 THR 15 -12.352 19.893 23.530 1.00 34.11 ATOM 239 C THR 15 -15.371 21.242 22.567 1.00 1.15 ATOM 240 O THR 15 -15.592 20.274 21.836 1.00 42.51 ATOM 241 N ALA 16 -15.598 22.497 22.180 1.00 40.13 ATOM 242 HN ALA 16 -15.349 23.230 22.781 1.00 37.12 ATOM 243 CA ALA 16 -16.204 22.812 20.879 1.00 61.15 ATOM 244 HA ALA 16 -16.634 21.901 20.486 1.00 50.40 ATOM 245 CB ALA 16 -17.334 23.819 21.059 1.00 62.30 ATOM 246 HB1 ALA 16 -17.821 23.991 20.109 1.00 13.43 ATOM 247 HB2 ALA 16 -16.931 24.751 21.431 1.00 31.41 ATOM 248 HB3 ALA 16 -18.053 23.430 21.766 1.00 50.35 ATOM 249 C ALA 16 -15.174 23.344 19.868 1.00 64.32 ATOM 250 O ALA 16 -14.660 24.453 20.012 1.00 24.14 ATOM 251 N ARG 17 -14.880 22.544 18.845 1.00 54.54 ATOM 252 HN ARG 17 -15.278 21.649 18.814 1.00 37.12 ATOM 253 CA ARG 17 -13.966 22.963 17.767 1.00 23.43 ATOM 254 HA ARG 17 -13.396 23.805 18.137 1.00 72.41 ATOM 255 CB ARG 17 -12.983 21.834 17.418 1.00 13.32 ATOM 256 HB1 ARG 17 -12.252 21.753 18.210 1.00 37.12 ATOM 257 HB2 ARG 17 -12.471 22.091 16.500 1.00 62.01 ATOM 258 CG ARG 17 -13.636 20.469 17.231 1.00 75.25 ATOM 259 HG1 ARG 17 -14.301 20.512 16.379 1.00 37.12 ATOM 260 HG2 ARG 17 -14.202 20.225 18.119 1.00 54.01 ATOM 261 CD ARG 17 -12.595 19.380 16.993 1.00 13.03 ATOM 262 HD1 ARG 17 -11.788 19.510 17.702 1.00 37.12 ATOM 263 HD2 ARG 17 -12.209 19.480 15.989 1.00 71.52 ATOM 264 NE ARG 17 -13.149 18.040 17.149 1.00 62.55 ATOM 265 HE ARG 17 -14.118 17.937 17.066 1.00 2.42 ATOM 266 CZ ARG 17 -12.432 16.981 17.412 1.00 44.32 ATOM 267 NH1 ARG 17 -11.141 17.065 17.501 1.00 72.23 ATOM 268 HH11 ARG 17 -10.686 17.943 17.369 1.00 15.14 ATOM 269 HH12 ARG 17 -10.603 16.250 17.699 1.00 13.14 ATOM 270 NH2 ARG 17 -13.009 15.837 17.580 1.00 31.21 ATOM 271 HH21 ARG 17 -14.002 15.767 17.503 1.00 62.02 ATOM 272 HH22 ARG 17 -12.460 15.031 17.803 1.00 33.22 ATOM 273 C ARG 17 -14.732 23.427 16.517 1.00 71.41 ATOM 274 O ARG 17 -14.151 24.032 15.612 1.00 35.24 ATOM 275 N GLY 18 -16.031 23.134 16.461 1.00 12.35 ATOM 276 HN GLY 18 -16.418 22.544 17.139 1.00 37.12 ATOM 277 CA GLY 18 -16.876 23.684 15.402 1.00 64.34 ATOM 278 HA1 GLY 18 -16.298 24.402 14.836 1.00 37.12 ATOM 279 HA2 GLY 18 -17.699 24.204 15.866 1.00 40.32 ATOM 280 C GLY 18 -17.445 22.649 14.432 1.00 62.44 ATOM 281 O GLY 18 -16.747 21.733 13.995 1.00 43.04 ATOM 282 N GLU 19 -18.726 22.809 14.102 1.00 23.21 ATOM 283 HN GLU 19 -19.244 23.499 14.566 1.00 37.12 ATOM 284 CA GLU 19 -19.398 21.998 13.073 1.00 75.41 ATOM 285 HA GLU 19 -18.785 21.131 12.869 1.00 71.35 ATOM 286 CB GLU 19 -20.774 21.536 13.593 1.00 42.32 ATOM 287 HB1 GLU 19 -21.341 22.409 13.883 1.00 37.12 ATOM 288 HB2 GLU 19 -20.621 20.918 14.467 1.00 51.02 ATOM 289 CG GLU 19 -21.612 20.735 12.590 1.00 1.22 ATOM 290 HG1 GLU 19 -21.662 21.290 11.664 1.00 37.12 ATOM 291 HG2 GLU 19 -22.612 20.626 12.988 1.00 64.34 ATOM 292 CD GLU 19 -21.054 19.347 12.297 1.00 51.34 ATOM 293 OE1 GLU 19 -21.485 18.377 12.958 1.00 51.53 ATOM 294 OE2 GLU 19 -20.199 19.213 11.397 1.00 74.24 ATOM 295 C GLU 19 -19.567 22.813 11.774 1.00 61.33 ATOM 296 O GLU 19 -19.932 22.275 10.726 1.00 5.32 ATOM 297 N ALA 20 -19.283 24.119 11.871 1.00 51.43 ATOM 298 HN ALA 20 -18.952 24.455 12.727 1.00 37.12 ATOM 299 CA ALA 20 -19.443 25.074 10.763 1.00 23.20 ATOM 300 HA ALA 20 -18.911 25.973 11.044 1.00 32.12 ATOM 301 CB ALA 20 -18.809 24.547 9.479 1.00 31.13 ATOM 302 HB1 ALA 20 -18.833 25.317 8.723 1.00 4.24 ATOM 303 HB2 ALA 20 -19.359 23.685 9.131 1.00 75.02 ATOM 304 HB3 ALA 20 -17.785 24.265 9.672 1.00 11.02 ATOM 305 C ALA 20 -20.920 25.443 10.538 1.00 62.42 ATOM 306 O ALA 20 -21.805 24.589 10.600 1.00 33.31 ATOM 307 N GLY 21 -21.182 26.724 10.284 1.00 5.23 ATOM 308 HN GLY 21 -20.436 27.355 10.196 1.00 37.12 ATOM 309 CA GLY 21 -22.556 27.201 10.144 1.00 3.44 ATOM 310 HA1 GLY 21 -22.640 28.153 10.649 1.00 37.12 ATOM 311 HA2 GLY 21 -23.222 26.499 10.626 1.00 5.05 ATOM 312 C GLY 21 -23.004 27.381 8.696 1.00 4.10 ATOM 313 O GLY 21 -24.058 26.877 8.299 1.00 22.13 ATOM 314 N SER 22 -22.211 28.105 7.906 1.00 63.14 ATOM 315 HN SER 22 -21.366 28.452 8.266 1.00 37.12 ATOM 316 CA SER 22 -22.565 28.396 6.506 1.00 71.32 ATOM 317 HA SER 22 -23.530 28.885 6.505 1.00 44.42 ATOM 318 CB SER 22 -21.529 29.340 5.873 1.00 23.55 ATOM 319 HB1 SER 22 -21.888 29.673 4.910 1.00 37.12 ATOM 320 HB2 SER 22 -20.595 28.813 5.744 1.00 21.33 ATOM 321 OG SER 22 -21.296 30.481 6.691 1.00 24.00 ATOM 322 HG SER 22 -20.450 30.370 7.151 1.00 64.11 ATOM 323 C SER 22 -22.659 27.107 5.673 1.00 65.40 ATOM 324 O SER 22 -21.880 26.173 5.870 1.00 3.50 ATOM 325 N ARG 23 -23.604 27.066 4.730 1.00 31.21 ATOM 326 HN ARG 23 -24.165 27.859 4.584 1.00 37.12 ATOM 327 CA ARG 23 -23.814 25.874 3.896 1.00 14.35 ATOM 328 HA ARG 23 -24.037 25.047 4.558 1.00 61.42 ATOM 329 CB ARG 23 -25.005 26.079 2.947 1.00 62.50 ATOM 330 HB1 ARG 23 -25.151 25.175 2.370 1.00 37.12 ATOM 331 HB2 ARG 23 -24.777 26.891 2.272 1.00 54.15 ATOM 332 CG ARG 23 -26.315 26.405 3.663 1.00 1.54 ATOM 333 HG1 ARG 23 -26.215 27.359 4.160 1.00 37.12 ATOM 334 HG2 ARG 23 -26.516 25.636 4.397 1.00 34.51 ATOM 335 CD ARG 23 -27.490 26.472 2.690 1.00 52.40 ATOM 336 HD1 ARG 23 -27.644 25.490 2.264 1.00 37.12 ATOM 337 HD2 ARG 23 -27.246 27.168 1.900 1.00 62.54 ATOM 338 NE ARG 23 -28.728 26.911 3.336 1.00 24.33 ATOM 339 HE ARG 23 -28.687 27.722 3.887 1.00 54.53 ATOM 340 CZ ARG 23 -29.886 26.322 3.196 1.00 54.41 ATOM 341 NH1 ARG 23 -29.985 25.202 2.553 1.00 21.41 ATOM 342 HH11 ARG 23 -29.172 24.780 2.156 1.00 1.55 ATOM 343 HH12 ARG 23 -30.872 24.757 2.462 1.00 21.00 ATOM 344 NH2 ARG 23 -30.941 26.841 3.736 1.00 44.33 ATOM 345 HH21 ARG 23 -30.865 27.692 4.257 1.00 60.53 ATOM 346 HH22 ARG 23 -31.829 26.401 3.625 1.00 21.00 ATOM 347 C ARG 23 -22.553 25.530 3.087 1.00 45.04 ATOM 348 O ARG 23 -22.224 24.357 2.896 1.00 0.33 ATOM 349 N ASP 24 -21.851 26.563 2.619 1.00 32.23 ATOM 350 HN ASP 24 -22.199 27.473 2.750 1.00 37.12 ATOM 351 CA ASP 24 -20.578 26.381 1.913 1.00 40.03 ATOM 352 HA ASP 24 -20.768 25.722 1.076 1.00 31.14 ATOM 353 CB ASP 24 -20.073 27.728 1.370 1.00 24.25 ATOM 354 HB1 ASP 24 -20.666 28.005 0.507 1.00 37.12 ATOM 355 HB2 ASP 24 -19.040 27.625 1.067 1.00 2.12 ATOM 356 CG ASP 24 -20.162 28.846 2.397 1.00 3.11 ATOM 357 OD1 ASP 24 -19.326 28.884 3.319 1.00 32.14 ATOM 358 OD2 ASP 24 -21.070 29.699 2.284 1.00 30.40 ATOM 359 C ASP 24 -19.524 25.712 2.821 1.00 14.50 ATOM 360 O ASP 24 -18.837 24.777 2.403 1.00 12.40 ATOM 361 N GLU 25 -19.409 26.191 4.064 1.00 25.02 ATOM 362 HN GLU 25 -19.901 27.005 4.305 1.00 37.12 ATOM 363 CA GLU 25 -18.543 25.557 5.070 1.00 44.23 ATOM 364 HA GLU 25 -17.518 25.664 4.742 1.00 33.30 ATOM 365 CB GLU 25 -18.705 26.239 6.438 1.00 24.34 ATOM 366 HB1 GLU 25 -18.163 25.660 7.174 1.00 37.12 ATOM 367 HB2 GLU 25 -19.754 26.238 6.701 1.00 43.33 ATOM 368 CG GLU 25 -18.207 27.679 6.510 1.00 60.44 ATOM 369 HG1 GLU 25 -18.779 28.281 5.816 1.00 37.12 ATOM 370 HG2 GLU 25 -17.163 27.701 6.229 1.00 1.24 ATOM 371 CD GLU 25 -18.349 28.271 7.910 1.00 10.42 ATOM 372 OE1 GLU 25 -19.309 29.033 8.156 1.00 54.12 ATOM 373 OE2 GLU 25 -17.507 27.963 8.783 1.00 14.55 ATOM 374 C GLU 25 -18.868 24.061 5.224 1.00 2.33 ATOM 375 O GLU 25 -17.974 23.211 5.202 1.00 31.22 ATOM 376 N ARG 26 -20.159 23.755 5.375 1.00 60.22 ATOM 377 HN ARG 26 -20.819 24.482 5.375 1.00 37.12 ATOM 378 CA ARG 26 -20.623 22.370 5.539 1.00 70.03 ATOM 379 HA ARG 26 -20.173 21.979 6.440 1.00 35.02 ATOM 380 CB ARG 26 -22.149 22.338 5.697 1.00 62.41 ATOM 381 HB1 ARG 26 -22.465 21.314 5.837 1.00 37.12 ATOM 382 HB2 ARG 26 -22.601 22.722 4.792 1.00 72.23 ATOM 383 CG ARG 26 -22.668 23.163 6.873 1.00 52.30 ATOM 384 HG1 ARG 26 -23.747 23.085 6.903 1.00 37.12 ATOM 385 HG2 ARG 26 -22.387 24.194 6.726 1.00 51.51 ATOM 386 CD ARG 26 -22.102 22.688 8.209 1.00 1.44 ATOM 387 HD1 ARG 26 -22.480 23.328 8.995 1.00 37.12 ATOM 388 HD2 ARG 26 -21.024 22.763 8.178 1.00 10.11 ATOM 389 NE ARG 26 -22.470 21.306 8.505 1.00 3.31 ATOM 390 HE ARG 26 -21.797 20.613 8.346 1.00 51.11 ATOM 391 CZ ARG 26 -23.631 20.942 8.975 1.00 42.02 ATOM 392 NH1 ARG 26 -24.554 21.821 9.213 1.00 12.22 ATOM 393 HH11 ARG 26 -24.378 22.782 9.048 1.00 51.31 ATOM 394 HH12 ARG 26 -25.450 21.526 9.542 1.00 40.25 ATOM 395 NH2 ARG 26 -23.865 19.697 9.210 1.00 41.10 ATOM 396 HH21 ARG 26 -23.155 19.018 9.034 1.00 5.12 ATOM 397 HH22 ARG 26 -24.753 19.417 9.567 1.00 13.14 ATOM 398 C ARG 26 -20.200 21.485 4.357 1.00 21.04 ATOM 399 O ARG 26 -20.007 20.278 4.508 1.00 31.14 ATOM 400 N ARG 27 -20.064 22.091 3.181 1.00 53.02 ATOM 401 HN ARG 27 -20.297 23.043 3.107 1.00 37.12 ATOM 402 CA ARG 27 -19.578 21.380 1.995 1.00 23.24 ATOM 403 HA ARG 27 -20.037 20.401 1.976 1.00 33.21 ATOM 404 CB ARG 27 -19.966 22.141 0.721 1.00 1.13 ATOM 405 HB1 ARG 27 -19.554 21.619 -0.131 1.00 37.12 ATOM 406 HB2 ARG 27 -19.532 23.131 0.765 1.00 50.25 ATOM 407 CG ARG 27 -21.469 22.297 0.502 1.00 63.30 ATOM 408 HG1 ARG 27 -21.900 22.805 1.353 1.00 37.12 ATOM 409 HG2 ARG 27 -21.915 21.317 0.400 1.00 43.14 ATOM 410 CD ARG 27 -21.754 23.107 -0.759 1.00 52.15 ATOM 411 HD1 ARG 27 -21.315 22.596 -1.605 1.00 37.12 ATOM 412 HD2 ARG 27 -21.295 24.082 -0.657 1.00 35.14 ATOM 413 NE ARG 27 -23.180 23.290 -1.007 1.00 11.03 ATOM 414 HE ARG 27 -23.797 23.171 -0.256 1.00 60.32 ATOM 415 CZ ARG 27 -23.670 23.618 -2.169 1.00 4.14 ATOM 416 NH1 ARG 27 -22.884 23.750 -3.186 1.00 10.32 ATOM 417 HH11 ARG 27 -21.909 23.596 -3.083 1.00 62.24 ATOM 418 HH12 ARG 27 -23.255 24.007 -4.077 1.00 42.03 ATOM 419 NH2 ARG 27 -24.942 23.803 -2.311 1.00 43.44 ATOM 420 HH21 ARG 27 -25.550 23.696 -1.527 1.00 45.34 ATOM 421 HH22 ARG 27 -25.313 24.044 -3.210 1.00 11.22 ATOM 422 C ARG 27 -18.048 21.218 2.042 1.00 41.51 ATOM 423 O ARG 27 -17.507 20.159 1.716 1.00 12.45 ATOM 424 N ALA 28 -17.361 22.285 2.455 1.00 42.41 ATOM 425 HN ALA 28 -17.855 23.093 2.715 1.00 37.12 ATOM 426 CA ALA 28 -15.896 22.299 2.530 1.00 20.40 ATOM 427 HA ALA 28 -15.513 22.211 1.521 1.00 44.11 ATOM 428 CB ALA 28 -15.410 23.626 3.103 1.00 53.13 ATOM 429 HB1 ALA 28 -15.743 23.720 4.128 1.00 73.41 ATOM 430 HB2 ALA 28 -15.814 24.441 2.518 1.00 65.53 ATOM 431 HB3 ALA 28 -14.331 23.661 3.071 1.00 44.33 ATOM 432 C ALA 28 -15.355 21.132 3.371 1.00 13.14 ATOM 433 O ALA 28 -14.500 20.369 2.916 1.00 31.32 ATOM 434 N LEU 29 -15.873 20.990 4.590 1.00 74.20 ATOM 435 HN LEU 29 -16.568 21.618 4.888 1.00 37.12 ATOM 436 CA LEU 29 -15.433 19.923 5.504 1.00 1.12 ATOM 437 HA LEU 29 -14.353 19.972 5.558 1.00 4.05 ATOM 438 CB LEU 29 -16.002 20.174 6.917 1.00 1.44 ATOM 439 HB1 LEU 29 -15.545 21.077 7.300 1.00 37.12 ATOM 440 HB2 LEU 29 -15.703 19.351 7.553 1.00 54.34 ATOM 441 CG LEU 29 -17.537 20.334 7.015 1.00 32.33 ATOM 442 HG LEU 29 -17.890 20.836 6.124 1.00 5.13 ATOM 443 CD1 LEU 29 -18.248 18.982 7.084 1.00 74.45 ATOM 444 HD11 LEU 29 -19.315 19.139 7.158 1.00 1.14 ATOM 445 HD12 LEU 29 -17.905 18.437 7.951 1.00 74.32 ATOM 446 HD13 LEU 29 -18.031 18.413 6.192 1.00 51.12 ATOM 447 CD2 LEU 29 -17.914 21.205 8.212 1.00 60.02 ATOM 448 HD21 LEU 29 -17.461 22.181 8.102 1.00 13.01 ATOM 449 HD22 LEU 29 -17.560 20.744 9.123 1.00 0.13 ATOM 450 HD23 LEU 29 -18.989 21.312 8.256 1.00 75.04 ATOM 451 C LEU 29 -15.818 18.524 4.983 1.00 71.31 ATOM 452 O LEU 29 -15.198 17.522 5.342 1.00 44.41 ATOM 453 N ALA 30 -16.834 18.468 4.121 1.00 45.10 ATOM 454 HN ALA 30 -17.304 19.295 3.887 1.00 37.12 ATOM 455 CA ALA 30 -17.274 17.203 3.520 1.00 55.11 ATOM 456 HA ALA 30 -17.328 16.463 4.307 1.00 54.12 ATOM 457 CB ALA 30 -18.672 17.363 2.930 1.00 33.13 ATOM 458 HB1 ALA 30 -18.645 18.084 2.126 1.00 1.13 ATOM 459 HB2 ALA 30 -19.350 17.706 3.697 1.00 34.03 ATOM 460 HB3 ALA 30 -19.014 16.411 2.548 1.00 24.45 ATOM 461 C ALA 30 -16.289 16.709 2.448 1.00 31.44 ATOM 462 O ALA 30 -16.003 15.512 2.353 1.00 55.54 ATOM 463 N MET 31 -15.769 17.640 1.645 1.00 51.54 ATOM 464 HN MET 31 -16.046 18.573 1.761 1.00 37.12 ATOM 465 CA MET 31 -14.807 17.303 0.582 1.00 2.13 ATOM 466 HA MET 31 -14.810 16.229 0.462 1.00 71.42 ATOM 467 CB MET 31 -15.242 17.944 -0.742 1.00 21.32 ATOM 468 HB1 MET 31 -14.496 17.731 -1.495 1.00 37.12 ATOM 469 HB2 MET 31 -15.308 19.014 -0.607 1.00 54.12 ATOM 470 CG MET 31 -16.589 17.443 -1.250 1.00 55.22 ATOM 471 HG1 MET 31 -16.829 17.962 -2.167 1.00 37.12 ATOM 472 HG2 MET 31 -17.344 17.664 -0.508 1.00 73.34 ATOM 473 SD MET 31 -16.599 15.665 -1.571 1.00 53.03 ATOM 474 CE MET 31 -15.372 15.540 -2.873 1.00 43.43 ATOM 475 HE1 MET 31 -15.257 14.505 -3.157 1.00 21.03 ATOM 476 HE2 MET 31 -14.426 15.923 -2.516 1.00 65.33 ATOM 477 HE3 MET 31 -15.693 16.115 -3.730 1.00 72.20 ATOM 478 C MET 31 -13.375 17.737 0.943 1.00 64.22 ATOM 479 O MET 31 -12.494 17.780 0.082 1.00 11.31 ATOM 480 N LYS 32 -13.158 18.065 2.219 1.00 74.14 ATOM 481 HN LYS 32 -13.925 18.118 2.826 1.00 37.12 ATOM 482 CA LYS 32 -11.813 18.351 2.752 1.00 74.10 ATOM 483 HA LYS 32 -11.931 18.599 3.796 1.00 34.32 ATOM 484 CB LYS 32 -10.934 17.094 2.648 1.00 63.21 ATOM 485 HB1 LYS 32 -9.933 17.339 2.974 1.00 37.12 ATOM 486 HB2 LYS 32 -10.899 16.776 1.613 1.00 51.14 ATOM 487 CG LYS 32 -11.444 15.932 3.492 1.00 25.15 ATOM 488 HG1 LYS 32 -12.459 15.709 3.197 1.00 37.12 ATOM 489 HG2 LYS 32 -11.431 16.226 4.533 1.00 62.51 ATOM 490 CD LYS 32 -10.592 14.678 3.324 1.00 22.54 ATOM 491 HD1 LYS 32 -9.569 14.909 3.591 1.00 37.12 ATOM 492 HD2 LYS 32 -10.631 14.361 2.292 1.00 42.05 ATOM 493 CE LYS 32 -11.089 13.540 4.210 1.00 71.12 ATOM 494 HE1 LYS 32 -11.020 13.848 5.246 1.00 37.12 ATOM 495 HE2 LYS 32 -10.463 12.674 4.052 1.00 1.42 ATOM 496 NZ LYS 32 -12.499 13.176 3.908 1.00 40.14 ATOM 497 HZ1 LYS 32 -12.828 12.440 4.563 1.00 13.32 ATOM 498 HZ2 LYS 32 -12.576 12.815 2.937 1.00 14.44 ATOM 499 HZ3 LYS 32 -13.114 14.009 4.007 1.00 40.01 ATOM 500 C LYS 32 -11.126 19.541 2.054 1.00 0.01 ATOM 501 O LYS 32 -9.911 19.527 1.836 1.00 43.12 ATOM 502 N ILE 33 -11.896 20.577 1.736 1.00 32.04 ATOM 503 HN ILE 33 -12.860 20.524 1.911 1.00 37.12 ATOM 504 CA ILE 33 -11.344 21.798 1.134 1.00 71.21 ATOM 505 HA ILE 33 -10.786 21.509 0.253 1.00 25.20 ATOM 506 CB ILE 33 -12.479 22.759 0.696 1.00 31.33 ATOM 507 HB ILE 33 -13.049 23.022 1.577 1.00 11.53 ATOM 508 CG1 ILE 33 -13.414 22.064 -0.312 1.00 55.42 ATOM 509 HG11 ILE 33 -14.186 22.758 -0.614 1.00 37.12 ATOM 510 HG12 ILE 33 -13.875 21.210 0.164 1.00 44.44 ATOM 511 CG2 ILE 33 -11.912 24.048 0.104 1.00 5.44 ATOM 512 HG21 ILE 33 -11.299 23.813 -0.755 1.00 22.44 ATOM 513 HG22 ILE 33 -11.311 24.555 0.846 1.00 51.34 ATOM 514 HG23 ILE 33 -12.725 24.692 -0.200 1.00 24.03 ATOM 515 CD1 ILE 33 -12.716 21.571 -1.565 1.00 63.31 ATOM 516 HD11 ILE 33 -12.266 22.407 -2.080 1.00 5.12 ATOM 517 HD12 ILE 33 -13.437 21.095 -2.215 1.00 72.04 ATOM 518 HD13 ILE 33 -11.950 20.859 -1.295 1.00 14.41 ATOM 519 C ILE 33 -10.398 22.519 2.120 1.00 45.12 ATOM 520 O ILE 33 -10.830 22.984 3.176 1.00 64.41 ATOM 521 N PRO 34 -9.091 22.616 1.791 1.00 0.40 ATOM 522 CA PRO 34 -8.073 23.174 2.698 1.00 42.24 ATOM 523 HA PRO 34 -8.255 22.884 3.722 1.00 65.32 ATOM 524 CB PRO 34 -6.800 22.485 2.197 1.00 41.53 ATOM 525 HB1 PRO 34 -6.702 21.516 2.666 1.00 37.12 ATOM 526 HB2 PRO 34 -5.935 23.092 2.430 1.00 2.13 ATOM 527 CG PRO 34 -7.003 22.357 0.723 1.00 33.12 ATOM 528 HG1 PRO 34 -6.462 21.498 0.352 1.00 37.12 ATOM 529 HG2 PRO 34 -6.663 23.255 0.225 1.00 44.33 ATOM 530 CD PRO 34 -8.490 22.169 0.514 1.00 64.41 ATOM 531 HD1 PRO 34 -8.716 21.128 0.329 1.00 37.12 ATOM 532 HD2 PRO 34 -8.835 22.781 -0.308 1.00 54.32 ATOM 533 C PRO 34 -7.921 24.706 2.627 1.00 50.43 ATOM 534 O PRO 34 -6.884 25.245 3.019 1.00 3.14 ATOM 535 N PHE 35 -8.946 25.410 2.149 1.00 64.04 ATOM 536 HN PHE 35 -9.756 24.944 1.860 1.00 37.12 ATOM 537 CA PHE 35 -8.892 26.878 2.063 1.00 23.14 ATOM 538 HA PHE 35 -8.242 27.218 2.860 1.00 42.23 ATOM 539 CB PHE 35 -8.283 27.325 0.719 1.00 31.10 ATOM 540 HB1 PHE 35 -7.240 27.040 0.699 1.00 37.12 ATOM 541 HB2 PHE 35 -8.347 28.402 0.646 1.00 33.31 ATOM 542 CG PHE 35 -8.947 26.742 -0.506 1.00 15.23 ATOM 543 CD1 PHE 35 -8.576 25.492 -0.980 1.00 23.10 ATOM 544 HD1 PHE 35 -7.815 24.932 -0.458 1.00 44.04 ATOM 545 CD2 PHE 35 -9.927 27.446 -1.190 1.00 62.03 ATOM 546 HD2 PHE 35 -10.226 28.421 -0.833 1.00 63.21 ATOM 547 CE1 PHE 35 -9.165 24.960 -2.109 1.00 52.41 ATOM 548 HE1 PHE 35 -8.865 23.986 -2.465 1.00 41.33 ATOM 549 CE2 PHE 35 -10.519 26.914 -2.319 1.00 61.14 ATOM 550 HE2 PHE 35 -11.281 27.472 -2.841 1.00 14.44 ATOM 551 CZ PHE 35 -10.139 25.670 -2.778 1.00 12.20 ATOM 552 HZ PHE 35 -10.605 25.253 -3.663 1.00 22.43 ATOM 553 C PHE 35 -10.278 27.514 2.285 1.00 5.11 ATOM 554 O PHE 35 -11.307 26.881 2.046 1.00 30.42 ATOM 555 N PRO 36 -10.315 28.782 2.755 1.00 4.14 ATOM 556 CA PRO 36 -11.569 29.469 3.135 1.00 24.10 ATOM 557 HA PRO 36 -12.039 28.966 3.968 1.00 73.12 ATOM 558 CB PRO 36 -11.093 30.858 3.594 1.00 45.40 ATOM 559 HB1 PRO 36 -11.050 30.887 4.673 1.00 37.12 ATOM 560 HB2 PRO 36 -11.775 31.617 3.240 1.00 71.51 ATOM 561 CG PRO 36 -9.739 31.023 2.996 1.00 13.12 ATOM 562 HG1 PRO 36 -9.142 31.683 3.610 1.00 37.12 ATOM 563 HG2 PRO 36 -9.824 31.418 1.992 1.00 4.23 ATOM 564 CD PRO 36 -9.140 29.649 2.969 1.00 1.33 ATOM 565 HD1 PRO 36 -8.661 29.425 3.912 1.00 37.12 ATOM 566 HD2 PRO 36 -8.434 29.558 2.155 1.00 2.04 ATOM 567 C PRO 36 -12.596 29.603 1.993 1.00 44.30 ATOM 568 O PRO 36 -12.255 29.954 0.861 1.00 21.41 ATOM 569 N THR 37 -13.865 29.356 2.322 1.00 24.11 ATOM 570 HN THR 37 -14.072 29.105 3.248 1.00 37.12 ATOM 571 CA THR 37 -14.966 29.445 1.352 1.00 14.12 ATOM 572 HA THR 37 -14.704 28.844 0.492 1.00 54.44 ATOM 573 CB THR 37 -16.278 28.893 1.950 1.00 34.11 ATOM 574 HB THR 37 -17.066 28.999 1.216 1.00 41.32 ATOM 575 OG1 THR 37 -16.632 29.641 3.126 1.00 5.55 ATOM 576 HG1 THR 37 -17.487 29.327 3.456 1.00 31.40 ATOM 577 CG2 THR 37 -16.143 27.416 2.311 1.00 71.02 ATOM 578 HG21 THR 37 -17.070 27.067 2.742 1.00 15.31 ATOM 579 HG22 THR 37 -15.343 27.290 3.028 1.00 12.41 ATOM 580 HG23 THR 37 -15.923 26.844 1.421 1.00 43.10 ATOM 581 C THR 37 -15.211 30.890 0.897 1.00 24.01 ATOM 582 O THR 37 -15.468 31.147 -0.279 1.00 32.14 ATOM 583 N ASP 38 -15.130 31.828 1.838 1.00 74.32 ATOM 584 HN ASP 38 -14.947 31.556 2.761 1.00 37.12 ATOM 585 CA ASP 38 -15.306 33.254 1.539 1.00 30.32 ATOM 586 HA ASP 38 -16.317 33.391 1.182 1.00 13.14 ATOM 587 CB ASP 38 -15.116 34.080 2.815 1.00 44.40 ATOM 588 HB1 ASP 38 -15.923 33.862 3.501 1.00 37.12 ATOM 589 HB2 ASP 38 -15.141 35.132 2.564 1.00 44.34 ATOM 590 CG ASP 38 -13.798 33.774 3.503 1.00 42.40 ATOM 591 OD1 ASP 38 -12.832 34.544 3.321 1.00 62.14 ATOM 592 OD2 ASP 38 -13.722 32.748 4.209 1.00 23.11 ATOM 593 C ASP 38 -14.331 33.723 0.447 1.00 3.11 ATOM 594 O ASP 38 -14.674 34.554 -0.394 1.00 14.42 ATOM 595 N LYS 39 -13.116 33.173 0.466 1.00 74.22 ATOM 596 HN LYS 39 -12.888 32.555 1.191 1.00 37.12 ATOM 597 CA LYS 39 -12.110 33.473 -0.556 1.00 2.35 ATOM 598 HA LYS 39 -11.964 34.546 -0.569 1.00 13.45 ATOM 599 CB LYS 39 -10.778 32.794 -0.196 1.00 4.04 ATOM 600 HB1 LYS 39 -10.925 31.722 -0.188 1.00 37.12 ATOM 601 HB2 LYS 39 -10.485 33.111 0.796 1.00 4.15 ATOM 602 CG LYS 39 -9.637 33.112 -1.159 1.00 32.31 ATOM 603 HG1 LYS 39 -9.672 34.163 -1.411 1.00 37.12 ATOM 604 HG2 LYS 39 -9.765 32.525 -2.057 1.00 50.44 ATOM 605 CD LYS 39 -8.269 32.795 -0.558 1.00 43.04 ATOM 606 HD1 LYS 39 -7.504 33.014 -1.290 1.00 37.12 ATOM 607 HD2 LYS 39 -8.230 31.747 -0.298 1.00 54.43 ATOM 608 CE LYS 39 -8.009 33.626 0.693 1.00 51.52 ATOM 609 HE1 LYS 39 -8.722 33.339 1.453 1.00 37.12 ATOM 610 HE2 LYS 39 -8.146 34.670 0.453 1.00 13.54 ATOM 611 NZ LYS 39 -6.637 33.434 1.224 1.00 33.14 ATOM 612 HZ1 LYS 39 -6.460 32.427 1.402 1.00 72.14 ATOM 613 HZ2 LYS 39 -6.522 33.957 2.117 1.00 21.24 ATOM 614 HZ3 LYS 39 -5.935 33.784 0.540 1.00 13.30 ATOM 615 C LYS 39 -12.593 33.026 -1.944 1.00 1.43 ATOM 616 O LYS 39 -12.430 33.743 -2.931 1.00 41.42 ATOM 617 N ILE 40 -13.216 31.849 -1.997 1.00 14.14 ATOM 618 HN ILE 40 -13.294 31.317 -1.178 1.00 37.12 ATOM 619 CA ILE 40 -13.795 31.321 -3.240 1.00 31.01 ATOM 620 HA ILE 40 -13.000 31.209 -3.965 1.00 62.14 ATOM 621 CB ILE 40 -14.443 29.933 -2.995 1.00 54.33 ATOM 622 HB ILE 40 -15.288 30.070 -2.332 1.00 25.11 ATOM 623 CG1 ILE 40 -13.441 28.975 -2.330 1.00 42.42 ATOM 624 HG11 ILE 40 -13.047 29.437 -1.436 1.00 37.12 ATOM 625 HG12 ILE 40 -12.629 28.780 -3.015 1.00 72.41 ATOM 626 CG2 ILE 40 -14.966 29.341 -4.302 1.00 21.31 ATOM 627 HG21 ILE 40 -15.433 28.386 -4.107 1.00 35.01 ATOM 628 HG22 ILE 40 -14.144 29.205 -4.991 1.00 14.30 ATOM 629 HG23 ILE 40 -15.691 30.013 -4.739 1.00 72.31 ATOM 630 CD1 ILE 40 -14.042 27.639 -1.936 1.00 15.44 ATOM 631 HD11 ILE 40 -14.405 27.133 -2.818 1.00 12.43 ATOM 632 HD12 ILE 40 -14.861 27.802 -1.251 1.00 74.12 ATOM 633 HD13 ILE 40 -13.287 27.033 -1.459 1.00 61.00 ATOM 634 C ILE 40 -14.867 32.272 -3.803 1.00 24.33 ATOM 635 O ILE 40 -15.016 32.421 -5.016 1.00 20.33 ATOM 636 N VAL 41 -15.612 32.904 -2.900 1.00 23.04 ATOM 637 HN VAL 41 -15.434 32.740 -1.948 1.00 37.12 ATOM 638 CA VAL 41 -16.695 33.821 -3.274 1.00 11.33 ATOM 639 HA VAL 41 -17.227 33.390 -4.111 1.00 51.03 ATOM 640 CB VAL 41 -17.691 33.998 -2.099 1.00 42.20 ATOM 641 HB VAL 41 -17.173 34.514 -1.299 1.00 32.14 ATOM 642 CG1 VAL 41 -18.883 34.859 -2.513 1.00 43.41 ATOM 643 HG11 VAL 41 -18.534 35.832 -2.828 1.00 54.44 ATOM 644 HG12 VAL 41 -19.556 34.975 -1.675 1.00 1.14 ATOM 645 HG13 VAL 41 -19.406 34.383 -3.331 1.00 12.34 ATOM 646 CG2 VAL 41 -18.150 32.644 -1.562 1.00 31.23 ATOM 647 HG21 VAL 41 -18.624 32.080 -2.353 1.00 22.21 ATOM 648 HG22 VAL 41 -18.855 32.797 -0.757 1.00 22.52 ATOM 649 HG23 VAL 41 -17.296 32.097 -1.191 1.00 13.20 ATOM 650 C VAL 41 -16.170 35.213 -3.669 1.00 3.14 ATOM 651 O VAL 41 -16.653 35.829 -4.622 1.00 41.34 ATOM 652 N ASN 42 -15.185 35.700 -2.925 1.00 11.02 ATOM 653 HN ASN 42 -14.753 35.113 -2.270 1.00 37.12 ATOM 654 CA ASN 42 -14.726 37.088 -3.051 1.00 53.30 ATOM 655 HA ASN 42 -15.578 37.676 -3.369 1.00 70.25 ATOM 656 CB ASN 42 -14.280 37.605 -1.678 1.00 53.24 ATOM 657 HB1 ASN 42 -13.783 38.558 -1.797 1.00 37.12 ATOM 658 HB2 ASN 42 -13.596 36.898 -1.233 1.00 62.24 ATOM 659 CG ASN 42 -15.464 37.792 -0.743 1.00 61.42 ATOM 660 OD1 ASN 42 -16.544 38.190 -1.165 1.00 44.00 ATOM 661 ND2 ASN 42 -15.290 37.476 0.522 1.00 61.31 ATOM 662 HD21 ASN 42 -14.418 37.133 0.801 1.00 64.13 ATOM 663 HD22 ASN 42 -16.042 37.606 1.133 1.00 43.21 ATOM 664 C ASN 42 -13.616 37.271 -4.100 1.00 21.30 ATOM 665 O ASN 42 -13.365 38.393 -4.541 1.00 40.25 ATOM 666 N LEU 43 -12.949 36.190 -4.503 1.00 24.11 ATOM 667 HN LEU 43 -13.118 35.326 -4.068 1.00 37.12 ATOM 668 CA LEU 43 -11.964 36.272 -5.592 1.00 61.01 ATOM 669 HA LEU 43 -11.457 37.225 -5.500 1.00 51.33 ATOM 670 CB LEU 43 -10.920 35.147 -5.492 1.00 0.24 ATOM 671 HB1 LEU 43 -10.366 35.115 -6.421 1.00 37.12 ATOM 672 HB2 LEU 43 -11.448 34.209 -5.381 1.00 44.31 ATOM 673 CG LEU 43 -9.911 35.270 -4.337 1.00 74.10 ATOM 674 HG LEU 43 -10.440 35.175 -3.399 1.00 30.45 ATOM 675 CD1 LEU 43 -8.879 34.147 -4.403 1.00 41.03 ATOM 676 HD11 LEU 43 -8.182 34.248 -3.583 1.00 11.32 ATOM 677 HD12 LEU 43 -8.343 34.200 -5.339 1.00 32.25 ATOM 678 HD13 LEU 43 -9.381 33.192 -4.329 1.00 52.11 ATOM 679 CD2 LEU 43 -9.224 36.637 -4.352 1.00 1.21 ATOM 680 HD21 LEU 43 -8.506 36.687 -3.545 1.00 50.11 ATOM 681 HD22 LEU 43 -9.964 37.413 -4.220 1.00 41.33 ATOM 682 HD23 LEU 43 -8.716 36.781 -5.295 1.00 5.22 ATOM 683 C LEU 43 -12.651 36.209 -6.967 1.00 54.55 ATOM 684 O LEU 43 -13.560 35.404 -7.182 1.00 70.45 ATOM 685 N PRO 44 -12.237 37.066 -7.918 1.00 1.22 ATOM 686 CA PRO 44 -12.777 37.033 -9.287 1.00 63.52 ATOM 687 HA PRO 44 -13.857 37.105 -9.288 1.00 54.42 ATOM 688 CB PRO 44 -12.176 38.286 -9.938 1.00 52.13 ATOM 689 HB1 PRO 44 -12.877 39.105 -9.860 1.00 37.12 ATOM 690 HB2 PRO 44 -11.960 38.091 -10.980 1.00 32.33 ATOM 691 CG PRO 44 -10.932 38.558 -9.159 1.00 12.22 ATOM 692 HG1 PRO 44 -10.701 39.614 -9.190 1.00 37.12 ATOM 693 HG2 PRO 44 -10.111 37.982 -9.563 1.00 33.32 ATOM 694 CD PRO 44 -11.226 38.128 -7.745 1.00 21.02 ATOM 695 HD1 PRO 44 -11.623 38.953 -7.171 1.00 37.12 ATOM 696 HD2 PRO 44 -10.335 37.736 -7.276 1.00 24.53 ATOM 697 C PRO 44 -12.351 35.766 -10.044 1.00 64.52 ATOM 698 O PRO 44 -11.340 35.146 -9.708 1.00 54.03 ATOM 699 N VAL 45 -13.117 35.394 -11.071 1.00 40.34 ATOM 700 HN VAL 45 -13.898 35.944 -11.304 1.00 37.12 ATOM 701 CA VAL 45 -12.840 34.181 -11.857 1.00 12.21 ATOM 702 HA VAL 45 -13.052 33.329 -11.225 1.00 3.22 ATOM 703 CB VAL 45 -13.767 34.101 -13.098 1.00 22.41 ATOM 704 HB VAL 45 -14.792 34.122 -12.751 1.00 11.21 ATOM 705 CG1 VAL 45 -13.561 35.304 -14.014 1.00 51.32 ATOM 706 HG11 VAL 45 -14.224 35.229 -14.864 1.00 33.31 ATOM 707 HG12 VAL 45 -12.536 35.324 -14.359 1.00 30.54 ATOM 708 HG13 VAL 45 -13.776 36.214 -13.471 1.00 25.22 ATOM 709 CG2 VAL 45 -13.556 32.792 -13.858 1.00 14.22 ATOM 710 HG21 VAL 45 -14.223 32.756 -14.706 1.00 73.41 ATOM 711 HG22 VAL 45 -13.763 31.957 -13.204 1.00 53.53 ATOM 712 HG23 VAL 45 -12.533 32.733 -14.203 1.00 43.42 ATOM 713 C VAL 45 -11.367 34.103 -12.305 1.00 22.22 ATOM 714 O VAL 45 -10.788 33.018 -12.402 1.00 44.22 ATOM 715 N ASP 46 -10.766 35.265 -12.552 1.00 23.11 ATOM 716 HN ASP 46 -11.287 36.091 -12.470 1.00 37.12 ATOM 717 CA ASP 46 -9.362 35.355 -12.953 1.00 72.31 ATOM 718 HA ASP 46 -9.253 34.822 -13.886 1.00 2.42 ATOM 719 CB ASP 46 -8.992 36.823 -13.176 1.00 3.12 ATOM 720 HB1 ASP 46 -7.991 36.881 -13.580 1.00 37.12 ATOM 721 HB2 ASP 46 -9.024 37.348 -12.229 1.00 13.21 ATOM 722 CG ASP 46 -9.946 37.504 -14.141 1.00 42.13 ATOM 723 OD1 ASP 46 -10.966 38.066 -13.684 1.00 12.02 ATOM 724 OD2 ASP 46 -9.697 37.463 -15.363 1.00 33.44 ATOM 725 C ASP 46 -8.426 34.717 -11.908 1.00 63.20 ATOM 726 O ASP 46 -7.646 33.813 -12.226 1.00 45.04 ATOM 727 N ASP 47 -8.518 35.188 -10.662 1.00 61.32 ATOM 728 HN ASP 47 -9.133 35.929 -10.479 1.00 37.12 ATOM 729 CA ASP 47 -7.728 34.633 -9.555 1.00 73.32 ATOM 730 HA ASP 47 -6.704 34.534 -9.893 1.00 74.02 ATOM 731 CB ASP 47 -7.761 35.581 -8.355 1.00 4.22 ATOM 732 HB1 ASP 47 -7.295 35.100 -7.506 1.00 37.12 ATOM 733 HB2 ASP 47 -8.790 35.808 -8.112 1.00 72.20 ATOM 734 CG ASP 47 -7.034 36.881 -8.633 1.00 13.31 ATOM 735 OD1 ASP 47 -5.809 36.944 -8.396 1.00 34.02 ATOM 736 OD2 ASP 47 -7.675 37.845 -9.091 1.00 12.10 ATOM 737 C ASP 47 -8.244 33.248 -9.140 1.00 31.12 ATOM 738 O ASP 47 -7.478 32.406 -8.676 1.00 44.51 ATOM 739 N PHE 48 -9.546 33.025 -9.312 1.00 34.43 ATOM 740 HN PHE 48 -10.106 33.754 -9.655 1.00 37.12 ATOM 741 CA PHE 48 -10.174 31.734 -8.995 1.00 13.12 ATOM 742 HA PHE 48 -10.110 31.591 -7.926 1.00 44.24 ATOM 743 CB PHE 48 -11.653 31.768 -9.406 1.00 32.44 ATOM 744 HB1 PHE 48 -11.719 32.001 -10.459 1.00 37.12 ATOM 745 HB2 PHE 48 -12.154 32.544 -8.845 1.00 1.13 ATOM 746 CG PHE 48 -12.395 30.479 -9.168 1.00 31.34 ATOM 747 CD1 PHE 48 -12.736 29.648 -10.228 1.00 62.21 ATOM 748 HD1 PHE 48 -12.458 29.930 -11.234 1.00 43.24 ATOM 749 CD2 PHE 48 -12.757 30.103 -7.886 1.00 71.43 ATOM 750 HD2 PHE 48 -12.497 30.740 -7.052 1.00 50.33 ATOM 751 CE1 PHE 48 -13.422 28.470 -10.010 1.00 15.45 ATOM 752 HE1 PHE 48 -13.681 27.832 -10.844 1.00 0.14 ATOM 753 CE2 PHE 48 -13.442 28.926 -7.664 1.00 52.01 ATOM 754 HE2 PHE 48 -13.719 28.646 -6.660 1.00 31.54 ATOM 755 CZ PHE 48 -13.776 28.108 -8.725 1.00 4.53 ATOM 756 HZ PHE 48 -14.312 27.189 -8.551 1.00 61.01 ATOM 757 C PHE 48 -9.451 30.569 -9.694 1.00 35.30 ATOM 758 O PHE 48 -9.173 29.535 -9.081 1.00 34.33 ATOM 759 N ASN 49 -9.148 30.751 -10.978 1.00 65.01 ATOM 760 HN ASN 49 -9.436 31.579 -11.421 1.00 37.12 ATOM 761 CA ASN 49 -8.404 29.752 -11.752 1.00 20.51 ATOM 762 HA ASN 49 -8.983 28.839 -11.755 1.00 4.32 ATOM 763 CB ASN 49 -8.234 30.238 -13.196 1.00 54.22 ATOM 764 HB1 ASN 49 -7.602 29.545 -13.735 1.00 37.12 ATOM 765 HB2 ASN 49 -7.766 31.211 -13.187 1.00 34.05 ATOM 766 CG ASN 49 -9.558 30.351 -13.933 1.00 60.02 ATOM 767 OD1 ASN 49 -10.497 29.601 -13.679 1.00 71.23 ATOM 768 ND2 ASN 49 -9.646 31.290 -14.852 1.00 14.15 ATOM 769 HD21 ASN 49 -8.866 31.859 -15.013 1.00 53.31 ATOM 770 HD22 ASN 49 -10.492 31.381 -15.334 1.00 31.54 ATOM 771 C ASN 49 -7.027 29.461 -11.123 1.00 11.13 ATOM 772 O ASN 49 -6.592 28.309 -11.056 1.00 33.15 ATOM 773 N GLU 50 -6.352 30.511 -10.653 1.00 30.52 ATOM 774 HN GLU 50 -6.741 31.405 -10.748 1.00 37.12 ATOM 775 CA GLU 50 -5.048 30.366 -9.990 1.00 12.52 ATOM 776 HA GLU 50 -4.417 29.765 -10.630 1.00 71.11 ATOM 777 CB GLU 50 -4.398 31.742 -9.795 1.00 22.24 ATOM 778 HB1 GLU 50 -3.506 31.627 -9.193 1.00 37.12 ATOM 779 HB2 GLU 50 -5.093 32.383 -9.269 1.00 22.11 ATOM 780 CG GLU 50 -4.009 32.429 -11.098 1.00 72.11 ATOM 781 HG1 GLU 50 -4.882 32.486 -11.733 1.00 37.12 ATOM 782 HG2 GLU 50 -3.249 31.837 -11.590 1.00 61.21 ATOM 783 CD GLU 50 -3.468 33.835 -10.883 1.00 20.53 ATOM 784 OE1 GLU 50 -2.386 33.981 -10.274 1.00 25.30 ATOM 785 OE2 GLU 50 -4.118 34.802 -11.323 1.00 53.12 ATOM 786 C GLU 50 -5.191 29.657 -8.633 1.00 24.12 ATOM 787 O GLU 50 -4.368 28.818 -8.268 1.00 5.32 ATOM 788 N LEU 51 -6.246 29.999 -7.897 1.00 42.34 ATOM 789 HN LEU 51 -6.851 30.696 -8.235 1.00 37.12 ATOM 790 CA LEU 51 -6.536 29.376 -6.598 1.00 42.42 ATOM 791 HA LEU 51 -5.730 29.625 -5.924 1.00 13.12 ATOM 792 CB LEU 51 -7.852 29.937 -6.037 1.00 32.42 ATOM 793 HB1 LEU 51 -8.648 29.662 -6.716 1.00 37.12 ATOM 794 HB2 LEU 51 -7.777 31.016 -6.023 1.00 40.42 ATOM 795 CG LEU 51 -8.237 29.458 -4.624 1.00 2.21 ATOM 796 HG LEU 51 -8.273 28.377 -4.617 1.00 23.11 ATOM 797 CD1 LEU 51 -7.190 29.892 -3.599 1.00 14.21 ATOM 798 HD11 LEU 51 -7.484 29.547 -2.618 1.00 1.21 ATOM 799 HD12 LEU 51 -7.111 30.970 -3.593 1.00 51.11 ATOM 800 HD13 LEU 51 -6.231 29.463 -3.856 1.00 11.34 ATOM 801 CD2 LEU 51 -9.624 29.975 -4.234 1.00 13.11 ATOM 802 HD21 LEU 51 -10.357 29.606 -4.937 1.00 72.43 ATOM 803 HD22 LEU 51 -9.628 31.056 -4.246 1.00 53.12 ATOM 804 HD23 LEU 51 -9.873 29.627 -3.241 1.00 14.11 ATOM 805 C LEU 51 -6.624 27.845 -6.724 1.00 44.14 ATOM 806 O LEU 51 -6.030 27.105 -5.934 1.00 51.55 ATOM 807 N LEU 52 -7.360 27.384 -7.736 1.00 25.11 ATOM 808 HN LEU 52 -7.838 28.027 -8.304 1.00 37.12 ATOM 809 CA LEU 52 -7.491 25.947 -8.021 1.00 0.23 ATOM 810 HA LEU 52 -7.892 25.470 -7.137 1.00 55.43 ATOM 811 CB LEU 52 -8.466 25.727 -9.188 1.00 25.51 ATOM 812 HB1 LEU 52 -8.477 24.673 -9.427 1.00 37.12 ATOM 813 HB2 LEU 52 -8.088 26.267 -10.046 1.00 62.43 ATOM 814 CG LEU 52 -9.914 26.176 -8.934 1.00 44.41 ATOM 815 HG LEU 52 -9.916 27.232 -8.700 1.00 15.45 ATOM 816 CD1 LEU 52 -10.772 25.972 -10.180 1.00 64.54 ATOM 817 HD11 LEU 52 -10.767 24.926 -10.457 1.00 52.42 ATOM 818 HD12 LEU 52 -10.374 26.562 -10.993 1.00 30.42 ATOM 819 HD13 LEU 52 -11.786 26.284 -9.974 1.00 20.03 ATOM 820 CD2 LEU 52 -10.508 25.430 -7.741 1.00 53.53 ATOM 821 HD21 LEU 52 -10.488 24.366 -7.932 1.00 14.05 ATOM 822 HD22 LEU 52 -11.529 25.748 -7.589 1.00 64.23 ATOM 823 HD23 LEU 52 -9.930 25.647 -6.853 1.00 54.50 ATOM 824 C LEU 52 -6.137 25.301 -8.360 1.00 0.04 ATOM 825 O LEU 52 -5.918 24.120 -8.092 1.00 44.32 ATOM 826 N ALA 53 -5.241 26.078 -8.964 1.00 64.13 ATOM 827 HN ALA 53 -5.477 27.009 -9.158 1.00 37.12 ATOM 828 CA ALA 53 -3.916 25.581 -9.363 1.00 23.23 ATOM 829 HA ALA 53 -4.037 24.569 -9.725 1.00 1.40 ATOM 830 CB ALA 53 -3.366 26.425 -10.510 1.00 72.34 ATOM 831 HB1 ALA 53 -4.039 26.372 -11.354 1.00 12.34 ATOM 832 HB2 ALA 53 -2.394 26.052 -10.801 1.00 44.31 ATOM 833 HB3 ALA 53 -3.274 27.454 -10.188 1.00 51.11 ATOM 834 C ALA 53 -2.921 25.566 -8.191 1.00 32.43 ATOM 835 O ALA 53 -1.912 24.856 -8.232 1.00 11.42 ATOM 836 N ARG 54 -3.200 26.353 -7.154 1.00 53.22 ATOM 837 HN ARG 54 -4.029 26.875 -7.166 1.00 37.12 ATOM 838 CA ARG 54 -2.297 26.465 -5.997 1.00 54.12 ATOM 839 HA ARG 54 -1.283 26.391 -6.368 1.00 10.03 ATOM 840 CB ARG 54 -2.470 27.832 -5.321 1.00 11.11 ATOM 841 HB1 ARG 54 -1.894 27.844 -4.406 1.00 37.12 ATOM 842 HB2 ARG 54 -3.514 27.970 -5.079 1.00 5.55 ATOM 843 CG ARG 54 -2.019 29.008 -6.185 1.00 45.30 ATOM 844 HG1 ARG 54 -2.572 28.994 -7.114 1.00 37.12 ATOM 845 HG2 ARG 54 -0.964 28.902 -6.394 1.00 14.34 ATOM 846 CD ARG 54 -2.248 30.349 -5.493 1.00 50.50 ATOM 847 HD1 ARG 54 -3.304 30.458 -5.288 1.00 37.12 ATOM 848 HD2 ARG 54 -1.932 31.139 -6.157 1.00 31.15 ATOM 849 NE ARG 54 -1.510 30.461 -4.235 1.00 24.14 ATOM 850 HE ARG 54 -1.394 29.650 -3.703 1.00 30.43 ATOM 851 CZ ARG 54 -1.012 31.576 -3.772 1.00 13.14 ATOM 852 NH1 ARG 54 -1.109 32.677 -4.451 1.00 25.40 ATOM 853 HH11 ARG 54 -1.567 32.677 -5.339 1.00 13.24 ATOM 854 HH12 ARG 54 -0.725 33.524 -4.088 1.00 12.05 ATOM 855 NH2 ARG 54 -0.407 31.577 -2.629 1.00 34.53 ATOM 856 HH21 ARG 54 -0.324 30.728 -2.111 1.00 32.04 ATOM 857 HH22 ARG 54 -0.022 32.425 -2.269 1.00 53.43 ATOM 858 C ARG 54 -2.519 25.339 -4.968 1.00 51.11 ATOM 859 O ARG 54 -1.564 24.818 -4.391 1.00 63.03 ATOM 860 N TYR 55 -3.775 24.975 -4.726 1.00 5.42 ATOM 861 HN TYR 55 -4.500 25.394 -5.236 1.00 37.12 ATOM 862 CA TYR 55 -4.099 23.946 -3.725 1.00 20.43 ATOM 863 HA TYR 55 -3.273 23.904 -3.028 1.00 11.12 ATOM 864 CB TYR 55 -5.365 24.338 -2.950 1.00 22.40 ATOM 865 HB1 TYR 55 -5.714 23.486 -2.382 1.00 37.12 ATOM 866 HB2 TYR 55 -6.132 24.635 -3.651 1.00 71.32 ATOM 867 CG TYR 55 -5.139 25.486 -1.984 1.00 21.11 ATOM 868 CD1 TYR 55 -4.797 25.242 -0.657 1.00 33.04 ATOM 869 HD1 TYR 55 -4.699 24.220 -0.319 1.00 43.53 ATOM 870 CD2 TYR 55 -5.257 26.811 -2.397 1.00 74.04 ATOM 871 HD2 TYR 55 -5.521 27.021 -3.424 1.00 42.05 ATOM 872 CE1 TYR 55 -4.582 26.279 0.227 1.00 35.43 ATOM 873 HE1 TYR 55 -4.318 26.068 1.254 1.00 20.33 ATOM 874 CE2 TYR 55 -5.043 27.853 -1.515 1.00 24.13 ATOM 875 HE2 TYR 55 -5.141 28.875 -1.854 1.00 2.02 ATOM 876 CZ TYR 55 -4.706 27.581 -0.205 1.00 71.44 ATOM 877 OH TYR 55 -4.491 28.614 0.677 1.00 64.12 ATOM 878 HH TYR 55 -5.195 29.270 0.583 1.00 2.43 ATOM 879 C TYR 55 -4.266 22.552 -4.354 1.00 70.34 ATOM 880 O TYR 55 -4.973 22.388 -5.351 1.00 14.35 ATOM 881 N PRO 56 -3.612 21.521 -3.769 1.00 41.52 ATOM 882 CA PRO 56 -3.708 20.137 -4.263 1.00 71.30 ATOM 883 HA PRO 56 -3.406 20.072 -5.302 1.00 12.50 ATOM 884 CB PRO 56 -2.706 19.359 -3.387 1.00 53.23 ATOM 885 HB1 PRO 56 -2.114 18.701 -4.007 1.00 37.12 ATOM 886 HB2 PRO 56 -3.242 18.773 -2.651 1.00 41.03 ATOM 887 CG PRO 56 -1.856 20.400 -2.732 1.00 12.34 ATOM 888 HG1 PRO 56 -0.997 20.620 -3.351 1.00 37.12 ATOM 889 HG2 PRO 56 -1.535 20.054 -1.759 1.00 31.03 ATOM 890 CD PRO 56 -2.728 21.618 -2.593 1.00 21.41 ATOM 891 HD1 PRO 56 -2.132 22.519 -2.629 1.00 37.12 ATOM 892 HD2 PRO 56 -3.297 21.573 -1.675 1.00 55.11 ATOM 893 C PRO 56 -5.126 19.555 -4.117 1.00 12.12 ATOM 894 O PRO 56 -5.474 18.975 -3.085 1.00 24.44 ATOM 895 N LEU 57 -5.947 19.735 -5.147 1.00 52.23 ATOM 896 HN LEU 57 -5.620 20.223 -5.934 1.00 37.12 ATOM 897 CA LEU 57 -7.333 19.251 -5.133 1.00 61.34 ATOM 898 HA LEU 57 -7.540 18.856 -4.149 1.00 2.35 ATOM 899 CB LEU 57 -8.299 20.413 -5.414 1.00 13.23 ATOM 900 HB1 LEU 57 -9.308 20.023 -5.402 1.00 37.12 ATOM 901 HB2 LEU 57 -8.093 20.788 -6.409 1.00 55.40 ATOM 902 CG LEU 57 -8.231 21.596 -4.435 1.00 11.35 ATOM 903 HG LEU 57 -7.224 21.992 -4.435 1.00 72.02 ATOM 904 CD1 LEU 57 -9.170 22.715 -4.881 1.00 63.32 ATOM 905 HD11 LEU 57 -10.188 22.352 -4.890 1.00 11.43 ATOM 906 HD12 LEU 57 -8.897 23.043 -5.874 1.00 33.53 ATOM 907 HD13 LEU 57 -9.090 23.545 -4.195 1.00 12.44 ATOM 908 CD2 LEU 57 -8.562 21.145 -3.011 1.00 31.42 ATOM 909 HD21 LEU 57 -7.835 20.415 -2.684 1.00 73.31 ATOM 910 HD22 LEU 57 -9.548 20.704 -2.987 1.00 2.13 ATOM 911 HD23 LEU 57 -8.534 21.999 -2.349 1.00 72.30 ATOM 912 C LEU 57 -7.562 18.141 -6.173 1.00 53.32 ATOM 913 O LEU 57 -6.917 18.111 -7.227 1.00 53.33 ATOM 914 N THR 58 -8.474 17.223 -5.866 1.00 12.40 ATOM 915 HN THR 58 -8.851 17.213 -4.959 1.00 37.12 ATOM 916 CA THR 58 -8.925 16.219 -6.839 1.00 11.31 ATOM 917 HA THR 58 -8.085 15.949 -7.467 1.00 20.44 ATOM 918 CB THR 58 -9.460 14.943 -6.149 1.00 11.22 ATOM 919 HB THR 58 -9.677 14.204 -6.909 1.00 0.42 ATOM 920 OG1 THR 58 -10.669 15.240 -5.432 1.00 64.20 ATOM 921 HG1 THR 58 -10.821 14.557 -4.764 1.00 15.43 ATOM 922 CG2 THR 58 -8.423 14.365 -5.190 1.00 23.25 ATOM 923 HG21 THR 58 -7.521 14.125 -5.733 1.00 33.42 ATOM 924 HG22 THR 58 -8.815 13.469 -4.732 1.00 14.12 ATOM 925 HG23 THR 58 -8.197 15.091 -4.421 1.00 32.24 ATOM 926 C THR 58 -10.042 16.794 -7.714 1.00 22.14 ATOM 927 O THR 58 -10.699 17.762 -7.325 1.00 64.04 ATOM 928 N GLU 59 -10.273 16.195 -8.882 1.00 33.41 ATOM 929 HN GLU 59 -9.726 15.419 -9.138 1.00 37.12 ATOM 930 CA GLU 59 -11.325 16.665 -9.800 1.00 1.43 ATOM 931 HA GLU 59 -11.007 17.620 -10.195 1.00 60.22 ATOM 932 CB GLU 59 -11.492 15.681 -10.966 1.00 3.43 ATOM 933 HB1 GLU 59 -12.315 16.013 -11.587 1.00 37.12 ATOM 934 HB2 GLU 59 -11.728 14.704 -10.567 1.00 44.21 ATOM 935 CG GLU 59 -10.252 15.551 -11.848 1.00 71.42 ATOM 936 HG1 GLU 59 -9.419 15.233 -11.234 1.00 37.12 ATOM 937 HG2 GLU 59 -10.028 16.518 -12.278 1.00 13.44 ATOM 938 CD GLU 59 -10.438 14.551 -12.976 1.00 34.00 ATOM 939 OE1 GLU 59 -10.048 13.379 -12.810 1.00 50.15 ATOM 940 OE2 GLU 59 -10.991 14.930 -14.031 1.00 52.33 ATOM 941 C GLU 59 -12.673 16.854 -9.076 1.00 11.22 ATOM 942 O GLU 59 -13.417 17.798 -9.354 1.00 42.40 ATOM 943 N SER 60 -12.970 15.952 -8.137 1.00 43.20 ATOM 944 HN SER 60 -12.353 15.207 -7.988 1.00 37.12 ATOM 945 CA SER 60 -14.194 16.038 -7.328 1.00 3.11 ATOM 946 HA SER 60 -15.036 16.071 -8.005 1.00 14.23 ATOM 947 CB SER 60 -14.330 14.801 -6.426 1.00 41.22 ATOM 948 HB1 SER 60 -15.265 14.854 -5.887 1.00 37.12 ATOM 949 HB2 SER 60 -13.512 14.778 -5.721 1.00 22.24 ATOM 950 OG SER 60 -14.309 13.595 -7.180 1.00 62.34 ATOM 951 HG SER 60 -14.309 13.800 -8.126 1.00 52.14 ATOM 952 C SER 60 -14.207 17.306 -6.461 1.00 1.53 ATOM 953 O SER 60 -15.249 17.936 -6.276 1.00 4.24 ATOM 954 N GLN 61 -13.039 17.684 -5.941 1.00 40.30 ATOM 955 HN GLN 61 -12.234 17.158 -6.142 1.00 37.12 ATOM 956 CA GLN 61 -12.920 18.872 -5.084 1.00 74.42 ATOM 957 HA GLN 61 -13.731 18.834 -4.367 1.00 65.01 ATOM 958 CB GLN 61 -11.591 18.857 -4.314 1.00 14.43 ATOM 959 HB1 GLN 61 -11.528 19.753 -3.711 1.00 37.12 ATOM 960 HB2 GLN 61 -10.776 18.856 -5.025 1.00 4.42 ATOM 961 CG GLN 61 -11.424 17.651 -3.394 1.00 71.22 ATOM 962 HG1 GLN 61 -11.420 16.753 -3.995 1.00 37.12 ATOM 963 HG2 GLN 61 -12.261 17.617 -2.709 1.00 32.22 ATOM 964 CD GLN 61 -10.138 17.701 -2.584 1.00 24.33 ATOM 965 OE1 GLN 61 -9.093 17.239 -3.030 1.00 71.33 ATOM 966 NE2 GLN 61 -10.205 18.244 -1.385 1.00 71.53 ATOM 967 HE21 GLN 61 -11.071 18.581 -1.077 1.00 73.04 ATOM 968 HE22 GLN 61 -9.386 18.281 -0.853 1.00 1.11 ATOM 969 C GLN 61 -13.052 20.174 -5.896 1.00 30.02 ATOM 970 O GLN 61 -13.753 21.096 -5.477 1.00 30.33 ATOM 971 N LEU 62 -12.381 20.252 -7.056 1.00 24.20 ATOM 972 HN LEU 62 -11.793 19.512 -7.322 1.00 37.12 ATOM 973 CA LEU 62 -12.507 21.432 -7.934 1.00 21.42 ATOM 974 HA LEU 62 -12.127 22.284 -7.386 1.00 5.13 ATOM 975 CB LEU 62 -11.697 21.282 -9.240 1.00 44.12 ATOM 976 HB1 LEU 62 -12.050 22.029 -9.938 1.00 37.12 ATOM 977 HB2 LEU 62 -11.909 20.305 -9.657 1.00 72.53 ATOM 978 CG LEU 62 -10.166 21.430 -9.118 1.00 21.54 ATOM 979 HG LEU 62 -9.946 22.228 -8.422 1.00 40.43 ATOM 980 CD1 LEU 62 -9.527 20.161 -8.575 1.00 15.12 ATOM 981 HD11 LEU 62 -9.748 19.335 -9.235 1.00 70.23 ATOM 982 HD12 LEU 62 -9.922 19.950 -7.590 1.00 3.13 ATOM 983 HD13 LEU 62 -8.456 20.293 -8.510 1.00 14.10 ATOM 984 CD2 LEU 62 -9.554 21.807 -10.467 1.00 43.21 ATOM 985 HD21 LEU 62 -9.957 22.756 -10.793 1.00 43.44 ATOM 986 HD22 LEU 62 -9.789 21.047 -11.196 1.00 32.44 ATOM 987 HD23 LEU 62 -8.481 21.890 -10.366 1.00 1.55 ATOM 988 C LEU 62 -13.977 21.702 -8.287 1.00 14.01 ATOM 989 O LEU 62 -14.425 22.850 -8.277 1.00 51.21 ATOM 990 N ALA 63 -14.718 20.638 -8.599 1.00 5.33 ATOM 991 HN ALA 63 -14.289 19.754 -8.633 1.00 37.12 ATOM 992 CA ALA 63 -16.148 20.745 -8.903 1.00 12.51 ATOM 993 HA ALA 63 -16.249 21.300 -9.825 1.00 64.54 ATOM 994 CB ALA 63 -16.742 19.357 -9.121 1.00 51.24 ATOM 995 HB1 ALA 63 -17.775 19.448 -9.429 1.00 31.11 ATOM 996 HB2 ALA 63 -16.691 18.793 -8.200 1.00 11.03 ATOM 997 HB3 ALA 63 -16.182 18.843 -9.888 1.00 31.00 ATOM 998 C ALA 63 -16.909 21.490 -7.793 1.00 50.34 ATOM 999 O ALA 63 -17.677 22.417 -8.064 1.00 52.44 ATOM 1000 N LEU 64 -16.670 21.089 -6.541 1.00 74.42 ATOM 1001 HN LEU 64 -16.058 20.339 -6.391 1.00 37.12 ATOM 1002 CA LEU 64 -17.300 21.739 -5.387 1.00 43.22 ATOM 1003 HA LEU 64 -18.373 21.678 -5.523 1.00 32.33 ATOM 1004 CB LEU 64 -16.929 21.021 -4.081 1.00 64.13 ATOM 1005 HB1 LEU 64 -15.852 20.994 -4.000 1.00 37.12 ATOM 1006 HB2 LEU 64 -17.296 20.003 -4.135 1.00 41.44 ATOM 1007 CG LEU 64 -17.494 21.678 -2.810 1.00 42.33 ATOM 1008 HG LEU 64 -17.183 22.713 -2.789 1.00 3.43 ATOM 1009 CD1 LEU 64 -19.020 21.655 -2.820 1.00 2.41 ATOM 1010 HD11 LEU 64 -19.369 20.633 -2.834 1.00 41.11 ATOM 1011 HD12 LEU 64 -19.383 22.170 -3.698 1.00 63.40 ATOM 1012 HD13 LEU 64 -19.393 22.151 -1.936 1.00 3.32 ATOM 1013 CD2 LEU 64 -16.945 21.005 -1.557 1.00 63.24 ATOM 1014 HD21 LEU 64 -15.866 21.049 -1.567 1.00 65.21 ATOM 1015 HD22 LEU 64 -17.263 19.972 -1.531 1.00 41.05 ATOM 1016 HD23 LEU 64 -17.316 21.517 -0.681 1.00 40.42 ATOM 1017 C LEU 64 -16.903 23.219 -5.288 1.00 73.25 ATOM 1018 O LEU 64 -17.759 24.089 -5.150 1.00 42.32 ATOM 1019 N VAL 65 -15.603 23.496 -5.362 1.00 11.44 ATOM 1020 HN VAL 65 -14.965 22.758 -5.472 1.00 37.12 ATOM 1021 CA VAL 65 -15.099 24.874 -5.286 1.00 62.03 ATOM 1022 HA VAL 65 -15.347 25.263 -4.306 1.00 32.44 ATOM 1023 CB VAL 65 -13.558 24.912 -5.449 1.00 51.00 ATOM 1024 HB VAL 65 -13.318 24.550 -6.439 1.00 5.04 ATOM 1025 CG1 VAL 65 -13.024 26.336 -5.325 1.00 34.43 ATOM 1026 HG11 VAL 65 -13.266 26.731 -4.349 1.00 52.23 ATOM 1027 HG12 VAL 65 -13.475 26.955 -6.085 1.00 53.52 ATOM 1028 HG13 VAL 65 -11.951 26.331 -5.456 1.00 10.34 ATOM 1029 CG2 VAL 65 -12.884 23.993 -4.435 1.00 11.51 ATOM 1030 HG21 VAL 65 -11.812 24.027 -4.571 1.00 73.24 ATOM 1031 HG22 VAL 65 -13.231 22.980 -4.579 1.00 60.24 ATOM 1032 HG23 VAL 65 -13.128 24.315 -3.434 1.00 41.25 ATOM 1033 C VAL 65 -15.756 25.768 -6.356 1.00 11.44 ATOM 1034 O VAL 65 -16.119 26.917 -6.095 1.00 13.42 ATOM 1035 N ARG 66 -15.916 25.220 -7.558 1.00 4.23 ATOM 1036 HN ARG 66 -15.555 24.322 -7.719 1.00 37.12 ATOM 1037 CA ARG 66 -16.612 25.913 -8.648 1.00 73.42 ATOM 1038 HA ARG 66 -16.102 26.851 -8.823 1.00 55.04 ATOM 1039 CB ARG 66 -16.545 25.065 -9.927 1.00 31.11 ATOM 1040 HB1 ARG 66 -17.163 25.526 -10.687 1.00 37.12 ATOM 1041 HB2 ARG 66 -16.935 24.079 -9.711 1.00 54.35 ATOM 1042 CG ARG 66 -15.131 24.911 -10.486 1.00 21.12 ATOM 1043 HG1 ARG 66 -14.456 24.677 -9.672 1.00 37.12 ATOM 1044 HG2 ARG 66 -14.832 25.844 -10.942 1.00 63.25 ATOM 1045 CD ARG 66 -15.042 23.802 -11.534 1.00 21.43 ATOM 1046 HD1 ARG 66 -15.269 22.859 -11.060 1.00 37.12 ATOM 1047 HD2 ARG 66 -14.031 23.772 -11.918 1.00 3.34 ATOM 1048 NE ARG 66 -15.963 24.006 -12.651 1.00 1.14 ATOM 1049 HE ARG 66 -16.633 24.714 -12.565 1.00 12.30 ATOM 1050 CZ ARG 66 -15.946 23.298 -13.751 1.00 52.13 ATOM 1051 NH1 ARG 66 -15.083 22.344 -13.916 1.00 21.24 ATOM 1052 HH11 ARG 66 -14.423 22.136 -13.200 1.00 41.34 ATOM 1053 HH12 ARG 66 -15.083 21.815 -14.762 1.00 74.14 ATOM 1054 NH2 ARG 66 -16.792 23.550 -14.694 1.00 61.53 ATOM 1055 HH21 ARG 66 -17.465 24.279 -14.580 1.00 40.24 ATOM 1056 HH22 ARG 66 -16.767 23.020 -15.538 1.00 74.13 ATOM 1057 C ARG 66 -18.077 26.206 -8.280 1.00 23.24 ATOM 1058 O ARG 66 -18.571 27.321 -8.486 1.00 2.12 ATOM 1059 N ASP 67 -18.754 25.205 -7.723 1.00 63.23 ATOM 1060 HN ASP 67 -18.302 24.344 -7.584 1.00 37.12 ATOM 1061 CA ASP 67 -20.156 25.343 -7.317 1.00 44.44 ATOM 1062 HA ASP 67 -20.718 25.664 -8.184 1.00 51.44 ATOM 1063 CB ASP 67 -20.700 23.985 -6.848 1.00 74.54 ATOM 1064 HB1 ASP 67 -20.245 23.728 -5.901 1.00 37.12 ATOM 1065 HB2 ASP 67 -20.440 23.232 -7.578 1.00 42.02 ATOM 1066 CG ASP 67 -22.211 23.991 -6.675 1.00 73.44 ATOM 1067 OD1 ASP 67 -22.919 23.452 -7.547 1.00 62.21 ATOM 1068 OD2 ASP 67 -22.701 24.558 -5.681 1.00 32.41 ATOM 1069 C ASP 67 -20.318 26.397 -6.203 1.00 53.12 ATOM 1070 O ASP 67 -21.208 27.255 -6.270 1.00 4.14 ATOM 1071 N ILE 68 -19.450 26.326 -5.190 1.00 11.24 ATOM 1072 HN ILE 68 -18.779 25.613 -5.197 1.00 37.12 ATOM 1073 CA ILE 68 -19.468 27.271 -4.066 1.00 23.34 ATOM 1074 HA ILE 68 -20.421 27.161 -3.560 1.00 74.45 ATOM 1075 CB ILE 68 -18.338 26.962 -3.046 1.00 1.01 ATOM 1076 HB ILE 68 -17.399 26.954 -3.583 1.00 3.21 ATOM 1077 CG1 ILE 68 -18.553 25.580 -2.401 1.00 10.43 ATOM 1078 HG11 ILE 68 -18.560 24.827 -3.176 1.00 37.12 ATOM 1079 HG12 ILE 68 -19.503 25.571 -1.888 1.00 31.23 ATOM 1080 CG2 ILE 68 -18.255 28.052 -1.972 1.00 62.11 ATOM 1081 HG21 ILE 68 -19.194 28.109 -1.439 1.00 21.32 ATOM 1082 HG22 ILE 68 -18.050 29.004 -2.439 1.00 2.21 ATOM 1083 HG23 ILE 68 -17.461 27.816 -1.277 1.00 52.04 ATOM 1084 CD1 ILE 68 -17.482 25.199 -1.394 1.00 41.25 ATOM 1085 HD11 ILE 68 -17.703 24.224 -0.986 1.00 52.34 ATOM 1086 HD12 ILE 68 -17.459 25.927 -0.596 1.00 34.20 ATOM 1087 HD13 ILE 68 -16.519 25.173 -1.884 1.00 64.52 ATOM 1088 C ILE 68 -19.330 28.723 -4.548 1.00 4.22 ATOM 1089 O ILE 68 -20.045 29.610 -4.081 1.00 61.03 ATOM 1090 N ARG 69 -18.408 28.956 -5.485 1.00 13.33 ATOM 1091 HN ARG 69 -17.832 28.218 -5.781 1.00 37.12 ATOM 1092 CA ARG 69 -18.231 30.285 -6.078 1.00 65.02 ATOM 1093 HA ARG 69 -17.898 30.956 -5.298 1.00 62.43 ATOM 1094 CB ARG 69 -17.170 30.245 -7.189 1.00 10.53 ATOM 1095 HB1 ARG 69 -17.465 29.515 -7.930 1.00 37.12 ATOM 1096 HB2 ARG 69 -16.222 29.946 -6.761 1.00 31.24 ATOM 1097 CG ARG 69 -16.976 31.586 -7.890 1.00 22.24 ATOM 1098 HG1 ARG 69 -16.573 32.295 -7.181 1.00 37.12 ATOM 1099 HG2 ARG 69 -17.937 31.936 -8.242 1.00 14.32 ATOM 1100 CD ARG 69 -16.031 31.482 -9.079 1.00 43.35 ATOM 1101 HD1 ARG 69 -15.060 31.164 -8.725 1.00 37.12 ATOM 1102 HD2 ARG 69 -15.940 32.458 -9.538 1.00 13.35 ATOM 1103 NE ARG 69 -16.507 30.524 -10.082 1.00 25.31 ATOM 1104 HE ARG 69 -16.722 29.622 -9.776 1.00 73.15 ATOM 1105 CZ ARG 69 -16.629 30.790 -11.356 1.00 12.12 ATOM 1106 NH1 ARG 69 -16.400 31.981 -11.809 1.00 72.22 ATOM 1107 HH11 ARG 69 -16.123 32.707 -11.187 1.00 52.34 ATOM 1108 HH12 ARG 69 -16.509 32.170 -12.783 1.00 21.42 ATOM 1109 NH2 ARG 69 -17.011 29.869 -12.179 1.00 22.32 ATOM 1110 HH21 ARG 69 -17.217 28.950 -11.848 1.00 10.12 ATOM 1111 HH22 ARG 69 -17.079 30.074 -13.154 1.00 24.21 ATOM 1112 C ARG 69 -19.553 30.808 -6.660 1.00 13.25 ATOM 1113 O ARG 69 -19.977 31.925 -6.363 1.00 35.34 ATOM 1114 N ARG 70 -20.201 29.983 -7.483 1.00 74.44 ATOM 1115 HN ARG 70 -19.827 29.090 -7.649 1.00 37.12 ATOM 1116 CA ARG 70 -21.453 30.367 -8.143 1.00 4.44 ATOM 1117 HA ARG 70 -21.259 31.272 -8.702 1.00 53.53 ATOM 1118 CB ARG 70 -21.891 29.269 -9.126 1.00 11.31 ATOM 1119 HB1 ARG 70 -22.052 28.355 -8.571 1.00 37.12 ATOM 1120 HB2 ARG 70 -21.093 29.105 -9.837 1.00 54.51 ATOM 1121 CG ARG 70 -23.169 29.581 -9.914 1.00 61.50 ATOM 1122 HG1 ARG 70 -23.981 29.731 -9.215 1.00 37.12 ATOM 1123 HG2 ARG 70 -23.397 28.736 -10.548 1.00 1.53 ATOM 1124 CD ARG 70 -23.035 30.827 -10.795 1.00 11.22 ATOM 1125 HD1 ARG 70 -23.785 30.782 -11.574 1.00 37.12 ATOM 1126 HD2 ARG 70 -22.053 30.827 -11.250 1.00 70.25 ATOM 1127 NE ARG 70 -23.211 32.072 -10.041 1.00 32.11 ATOM 1128 HE ARG 70 -23.638 32.012 -9.159 1.00 71.30 ATOM 1129 CZ ARG 70 -22.870 33.256 -10.474 1.00 32.41 ATOM 1130 NH1 ARG 70 -22.296 33.407 -11.625 1.00 41.44 ATOM 1131 HH11 ARG 70 -22.109 32.613 -12.201 1.00 15.11 ATOM 1132 HH12 ARG 70 -22.036 34.318 -11.938 1.00 73.25 ATOM 1133 NH2 ARG 70 -23.118 34.293 -9.747 1.00 2.34 ATOM 1134 HH21 ARG 70 -23.572 34.180 -8.865 1.00 42.51 ATOM 1135 HH22 ARG 70 -22.862 35.203 -10.071 1.00 61.45 ATOM 1136 C ARG 70 -22.570 30.656 -7.124 1.00 13.34 ATOM 1137 O ARG 70 -23.219 31.698 -7.192 1.00 65.04 ATOM 1138 N ARG 71 -22.783 29.740 -6.175 1.00 41.23 ATOM 1139 HN ARG 71 -22.232 28.927 -6.162 1.00 37.12 ATOM 1140 CA ARG 71 -23.815 29.928 -5.143 1.00 51.25 ATOM 1141 HA ARG 71 -24.765 30.065 -5.647 1.00 21.13 ATOM 1142 CB ARG 71 -23.910 28.697 -4.228 1.00 40.32 ATOM 1143 HB1 ARG 71 -24.576 28.926 -3.407 1.00 37.12 ATOM 1144 HB2 ARG 71 -22.928 28.488 -3.828 1.00 74.15 ATOM 1145 CG ARG 71 -24.421 27.429 -4.910 1.00 70.04 ATOM 1146 HG1 ARG 71 -24.481 26.639 -4.172 1.00 37.12 ATOM 1147 HG2 ARG 71 -23.719 27.142 -5.680 1.00 44.23 ATOM 1148 CD ARG 71 -25.800 27.618 -5.549 1.00 73.43 ATOM 1149 HD1 ARG 71 -26.325 28.406 -5.026 1.00 37.12 ATOM 1150 HD2 ARG 71 -26.355 26.697 -5.451 1.00 13.13 ATOM 1151 NE ARG 71 -25.712 27.963 -6.969 1.00 14.22 ATOM 1152 HE ARG 71 -25.016 27.525 -7.493 1.00 42.42 ATOM 1153 CZ ARG 71 -26.530 28.768 -7.590 1.00 50.04 ATOM 1154 NH1 ARG 71 -27.437 29.426 -6.942 1.00 32.05 ATOM 1155 HH11 ARG 71 -27.516 29.325 -5.951 1.00 45.42 ATOM 1156 HH12 ARG 71 -28.061 30.023 -7.433 1.00 33.15 ATOM 1157 NH2 ARG 71 -26.423 28.922 -8.869 1.00 44.22 ATOM 1158 HH21 ARG 71 -25.723 28.420 -9.373 1.00 71.21 ATOM 1159 HH22 ARG 71 -27.043 29.538 -9.350 1.00 52.41 ATOM 1160 C ARG 71 -23.526 31.170 -4.285 1.00 64.04 ATOM 1161 O ARG 71 -24.377 32.048 -4.133 1.00 61.20 ATOM 1162 N GLY 72 -22.315 31.233 -3.733 1.00 11.51 ATOM 1163 HN GLY 72 -21.672 30.513 -3.911 1.00 37.12 ATOM 1164 CA GLY 72 -21.928 32.346 -2.873 1.00 70.22 ATOM 1165 HA1 GLY 72 -20.917 32.180 -2.527 1.00 37.12 ATOM 1166 HA2 GLY 72 -22.585 32.366 -2.017 1.00 72.50 ATOM 1167 C GLY 72 -21.990 33.703 -3.571 1.00 32.11 ATOM 1168 O GLY 72 -22.423 34.693 -2.979 1.00 72.43 ATOM 1169 N LYS 73 -21.562 33.744 -4.834 1.00 74.43 ATOM 1170 HN LYS 73 -21.231 32.916 -5.248 1.00 37.12 ATOM 1171 CA LYS 73 -21.554 34.985 -5.619 1.00 41.34 ATOM 1172 HA LYS 73 -20.948 35.705 -5.087 1.00 23.35 ATOM 1173 CB LYS 73 -20.928 34.732 -7.002 1.00 25.54 ATOM 1174 HB1 LYS 73 -21.594 34.095 -7.568 1.00 37.12 ATOM 1175 HB2 LYS 73 -19.989 34.213 -6.867 1.00 51.24 ATOM 1176 CG LYS 73 -20.661 35.997 -7.829 1.00 61.44 ATOM 1177 HG1 LYS 73 -21.422 36.730 -7.598 1.00 37.12 ATOM 1178 HG2 LYS 73 -20.722 35.744 -8.878 1.00 32.04 ATOM 1179 CD LYS 73 -19.282 36.613 -7.558 1.00 30.24 ATOM 1180 HD1 LYS 73 -19.112 37.406 -8.273 1.00 37.12 ATOM 1181 HD2 LYS 73 -18.529 35.850 -7.690 1.00 14.23 ATOM 1182 CE LYS 73 -19.150 37.183 -6.150 1.00 60.14 ATOM 1183 HE1 LYS 73 -19.322 36.391 -5.433 1.00 37.12 ATOM 1184 HE2 LYS 73 -19.891 37.957 -6.014 1.00 44.31 ATOM 1185 NZ LYS 73 -17.799 37.761 -5.915 1.00 75.12 ATOM 1186 HZ1 LYS 73 -17.069 37.027 -6.046 1.00 75.14 ATOM 1187 HZ2 LYS 73 -17.730 38.130 -4.947 1.00 14.31 ATOM 1188 HZ3 LYS 73 -17.617 38.537 -6.585 1.00 34.04 ATOM 1189 C LYS 73 -22.971 35.560 -5.786 1.00 43.24 ATOM 1190 O LYS 73 -23.157 36.778 -5.831 1.00 51.42 ATOM 1191 N ASN 74 -23.970 34.680 -5.865 1.00 24.40 ATOM 1192 HN ASN 74 -23.761 33.718 -5.844 1.00 37.12 ATOM 1193 CA ASN 74 -25.375 35.106 -5.991 1.00 50.25 ATOM 1194 HA ASN 74 -25.443 35.727 -6.874 1.00 72.13 ATOM 1195 CB ASN 74 -26.292 33.891 -6.178 1.00 42.25 ATOM 1196 HB1 ASN 74 -27.322 34.202 -6.070 1.00 37.12 ATOM 1197 HB2 ASN 74 -26.064 33.154 -5.421 1.00 14.33 ATOM 1198 CG ASN 74 -26.127 33.244 -7.543 1.00 13.45 ATOM 1199 OD1 ASN 74 -25.063 33.302 -8.152 1.00 21.12 ATOM 1200 ND2 ASN 74 -27.182 32.631 -8.039 1.00 74.24 ATOM 1201 HD21 ASN 74 -28.007 32.626 -7.510 1.00 31.51 ATOM 1202 HD22 ASN 74 -27.099 32.212 -8.919 1.00 74.13 ATOM 1203 C ASN 74 -25.835 35.941 -4.783 1.00 22.31 ATOM 1204 O ASN 74 -26.863 36.621 -4.840 1.00 12.13 ATOM 1205 N LYS 75 -25.071 35.890 -3.693 1.00 41.43 ATOM 1206 HN LYS 75 -24.320 35.258 -3.671 1.00 37.12 ATOM 1207 CA LYS 75 -25.324 36.740 -2.522 1.00 51.23 ATOM 1208 HA LYS 75 -26.338 36.561 -2.191 1.00 30.21 ATOM 1209 CB LYS 75 -24.352 36.371 -1.391 1.00 3.33 ATOM 1210 HB1 LYS 75 -23.341 36.571 -1.721 1.00 37.12 ATOM 1211 HB2 LYS 75 -24.448 35.315 -1.186 1.00 71.30 ATOM 1212 CG LYS 75 -24.588 37.130 -0.087 1.00 14.32 ATOM 1213 HG1 LYS 75 -25.561 36.858 0.300 1.00 37.12 ATOM 1214 HG2 LYS 75 -24.570 38.190 -0.293 1.00 22.11 ATOM 1215 CD LYS 75 -23.528 36.820 0.977 1.00 14.32 ATOM 1216 HD1 LYS 75 -23.715 37.443 1.842 1.00 37.12 ATOM 1217 HD2 LYS 75 -22.554 37.056 0.574 1.00 73.12 ATOM 1218 CE LYS 75 -23.531 35.352 1.416 1.00 41.14 ATOM 1219 HE1 LYS 75 -24.554 35.033 1.550 1.00 37.12 ATOM 1220 HE2 LYS 75 -23.010 35.274 2.358 1.00 30.25 ATOM 1221 NZ LYS 75 -22.871 34.451 0.430 1.00 43.13 ATOM 1222 HZ1 LYS 75 -22.923 33.463 0.756 1.00 72.54 ATOM 1223 HZ2 LYS 75 -21.870 34.711 0.324 1.00 0.23 ATOM 1224 HZ3 LYS 75 -23.335 34.524 -0.494 1.00 64.52 ATOM 1225 C LYS 75 -25.171 38.228 -2.886 1.00 35.44 ATOM 1226 O LYS 75 -25.843 39.097 -2.326 1.00 54.05 ATOM 1227 N VAL 76 -24.283 38.506 -3.839 1.00 75.33 ATOM 1228 HN VAL 76 -23.767 37.771 -4.233 1.00 37.12 ATOM 1229 CA VAL 76 -24.043 39.871 -4.317 1.00 31.12 ATOM 1230 HA VAL 76 -24.097 40.539 -3.469 1.00 60.02 ATOM 1231 CB VAL 76 -22.629 39.989 -4.945 1.00 75.33 ATOM 1232 HB VAL 76 -22.601 39.357 -5.822 1.00 74.14 ATOM 1233 CG1 VAL 76 -22.332 41.421 -5.390 1.00 62.12 ATOM 1234 HG11 VAL 76 -22.393 42.087 -4.541 1.00 74.43 ATOM 1235 HG12 VAL 76 -23.053 41.723 -6.135 1.00 12.21 ATOM 1236 HG13 VAL 76 -21.338 41.469 -5.813 1.00 44.00 ATOM 1237 CG2 VAL 76 -21.562 39.485 -3.970 1.00 0.23 ATOM 1238 HG21 VAL 76 -21.742 38.442 -3.747 1.00 45.32 ATOM 1239 HG22 VAL 76 -21.603 40.060 -3.056 1.00 3.13 ATOM 1240 HG23 VAL 76 -20.584 39.591 -4.417 1.00 4.41 ATOM 1241 C VAL 76 -25.099 40.300 -5.355 1.00 23.35 ATOM 1242 O VAL 76 -25.376 41.487 -5.520 1.00 63.35 ATOM 1243 N ALA 77 -25.704 39.321 -6.027 1.00 41.40 ATOM 1244 HN ALA 77 -25.483 38.394 -5.805 1.00 37.12 ATOM 1245 CA ALA 77 -26.687 39.581 -7.092 1.00 21.43 ATOM 1246 HA ALA 77 -26.147 39.978 -7.942 1.00 33.01 ATOM 1247 CB ALA 77 -27.342 38.275 -7.527 1.00 31.24 ATOM 1248 HB1 ALA 77 -26.579 37.568 -7.822 1.00 31.01 ATOM 1249 HB2 ALA 77 -28.003 38.461 -8.361 1.00 4.41 ATOM 1250 HB3 ALA 77 -27.910 37.866 -6.705 1.00 42.15 ATOM 1251 C ALA 77 -27.765 40.600 -6.674 1.00 72.11 ATOM 1252 O ALA 77 -28.141 41.469 -7.460 1.00 14.42 ATOM 1253 N ALA 78 -28.252 40.493 -5.435 1.00 12.35 ATOM 1254 HN ALA 78 -27.925 39.774 -4.854 1.00 37.12 ATOM 1255 CA ALA 78 -29.273 41.419 -4.924 1.00 4.52 ATOM 1256 HA ALA 78 -30.137 41.345 -5.571 1.00 34.44 ATOM 1257 CB ALA 78 -29.701 41.011 -3.518 1.00 4.30 ATOM 1258 HB1 ALA 78 -30.507 41.652 -3.186 1.00 64.51 ATOM 1259 HB2 ALA 78 -28.864 41.107 -2.842 1.00 61.05 ATOM 1260 HB3 ALA 78 -30.039 39.984 -3.526 1.00 33.15 ATOM 1261 C ALA 78 -28.779 42.876 -4.925 1.00 22.12 ATOM 1262 O ALA 78 -29.491 43.787 -5.352 1.00 22.14 ATOM 1263 N GLN 79 -27.550 43.088 -4.456 1.00 2.34 ATOM 1264 HN GLN 79 -27.015 42.321 -4.164 1.00 37.12 ATOM 1265 CA GLN 79 -26.971 44.437 -4.369 1.00 12.45 ATOM 1266 HA GLN 79 -27.773 45.125 -4.132 1.00 4.24 ATOM 1267 CB GLN 79 -25.925 44.491 -3.242 1.00 53.12 ATOM 1268 HB1 GLN 79 -26.384 44.139 -2.330 1.00 37.12 ATOM 1269 HB2 GLN 79 -25.613 45.516 -3.102 1.00 14.03 ATOM 1270 CG GLN 79 -24.682 43.646 -3.507 1.00 60.11 ATOM 1271 HG1 GLN 79 -24.162 44.055 -4.363 1.00 37.12 ATOM 1272 HG2 GLN 79 -24.992 42.636 -3.729 1.00 23.31 ATOM 1273 CD GLN 79 -23.724 43.602 -2.327 1.00 51.51 ATOM 1274 OE1 GLN 79 -24.133 43.662 -1.172 1.00 24.42 ATOM 1275 NE2 GLN 79 -22.441 43.499 -2.602 1.00 52.33 ATOM 1276 HE21 GLN 79 -22.169 43.457 -3.541 1.00 23.11 ATOM 1277 HE22 GLN 79 -21.811 43.466 -1.852 1.00 63.14 ATOM 1278 C GLN 79 -26.334 44.866 -5.703 1.00 22.12 ATOM 1279 O GLN 79 -26.002 46.035 -5.896 1.00 32.54 ATOM 1280 N ASN 80 -26.161 43.911 -6.617 1.00 31.11 ATOM 1281 HN ASN 80 -26.426 42.992 -6.397 1.00 37.12 ATOM 1282 CA ASN 80 -25.580 44.184 -7.941 1.00 11.43 ATOM 1283 HA ASN 80 -25.110 45.159 -7.907 1.00 31.33 ATOM 1284 CB ASN 80 -24.511 43.124 -8.263 1.00 3.54 ATOM 1285 HB1 ASN 80 -24.996 42.175 -8.441 1.00 37.12 ATOM 1286 HB2 ASN 80 -23.844 43.024 -7.415 1.00 71.01 ATOM 1287 CG ASN 80 -23.678 43.470 -9.487 1.00 35.44 ATOM 1288 OD1 ASN 80 -23.460 44.636 -9.795 1.00 72.25 ATOM 1289 ND2 ASN 80 -23.194 42.461 -10.184 1.00 24.31 ATOM 1290 HD21 ASN 80 -23.393 41.551 -9.883 1.00 32.33 ATOM 1291 HD22 ASN 80 -22.646 42.664 -10.969 1.00 3.30 ATOM 1292 C ASN 80 -26.676 44.199 -9.028 1.00 14.12 ATOM 1293 O ASN 80 -26.388 44.334 -10.219 1.00 54.04 ATOM 1294 N TYR 81 -27.933 44.087 -8.591 1.00 25.21 ATOM 1295 HN TYR 81 -28.089 44.048 -7.625 1.00 37.12 ATOM 1296 CA TYR 81 -29.091 44.005 -9.493 1.00 73.10 ATOM 1297 HA TYR 81 -29.030 43.059 -10.010 1.00 72.42 ATOM 1298 CB TYR 81 -30.394 44.027 -8.671 1.00 32.00 ATOM 1299 HB1 TYR 81 -30.393 44.900 -8.031 1.00 37.12 ATOM 1300 HB2 TYR 81 -30.436 43.142 -8.054 1.00 24.13 ATOM 1301 CG TYR 81 -31.661 44.064 -9.512 1.00 11.21 ATOM 1302 CD1 TYR 81 -32.209 42.899 -10.041 1.00 72.32 ATOM 1303 HD1 TYR 81 -31.726 41.953 -9.843 1.00 24.12 ATOM 1304 CD2 TYR 81 -32.303 45.271 -9.783 1.00 5.12 ATOM 1305 HD2 TYR 81 -31.894 46.187 -9.382 1.00 1.23 ATOM 1306 CE1 TYR 81 -33.355 42.935 -10.811 1.00 71.33 ATOM 1307 HE1 TYR 81 -33.766 42.019 -11.213 1.00 14.14 ATOM 1308 CE2 TYR 81 -33.450 45.312 -10.551 1.00 23.40 ATOM 1309 HE2 TYR 81 -33.933 46.260 -10.750 1.00 4.15 ATOM 1310 CZ TYR 81 -33.971 44.143 -11.064 1.00 33.13 ATOM 1311 OH TYR 81 -35.112 44.183 -11.835 1.00 73.12 ATOM 1312 HH TYR 81 -35.754 43.549 -11.484 1.00 60.20 ATOM 1313 C TYR 81 -29.123 45.133 -10.542 1.00 24.53 ATOM 1314 O TYR 81 -29.414 44.889 -11.716 1.00 24.45 ATOM 1315 N ARG 82 -28.828 46.360 -10.122 1.00 53.21 ATOM 1316 HN ARG 82 -28.490 46.486 -9.207 1.00 37.12 ATOM 1317 CA ARG 82 -28.975 47.527 -11.000 1.00 31.33 ATOM 1318 HA ARG 82 -29.969 47.480 -11.427 1.00 63.54 ATOM 1319 CB ARG 82 -28.862 48.829 -10.192 1.00 34.23 ATOM 1320 HB1 ARG 82 -28.980 49.669 -10.862 1.00 37.12 ATOM 1321 HB2 ARG 82 -27.880 48.878 -9.742 1.00 64.12 ATOM 1322 CG ARG 82 -29.903 48.955 -9.081 1.00 61.34 ATOM 1323 HG1 ARG 82 -29.720 49.868 -8.534 1.00 37.12 ATOM 1324 HG2 ARG 82 -29.804 48.112 -8.412 1.00 3.21 ATOM 1325 CD ARG 82 -31.329 48.985 -9.627 1.00 61.20 ATOM 1326 HD1 ARG 82 -31.474 48.131 -10.272 1.00 37.12 ATOM 1327 HD2 ARG 82 -31.466 49.894 -10.195 1.00 40.31 ATOM 1328 NE ARG 82 -32.320 48.941 -8.554 1.00 64.44 ATOM 1329 HE ARG 82 -31.990 48.807 -7.643 1.00 44.30 ATOM 1330 CZ ARG 82 -33.607 49.061 -8.724 1.00 43.03 ATOM 1331 NH1 ARG 82 -34.110 49.269 -9.900 1.00 54.00 ATOM 1332 HH11 ARG 82 -33.515 49.340 -10.690 1.00 12.35 ATOM 1333 HH12 ARG 82 -35.103 49.360 -10.010 1.00 61.44 ATOM 1334 NH2 ARG 82 -34.394 48.974 -7.707 1.00 50.01 ATOM 1335 HH21 ARG 82 -34.015 48.811 -6.796 1.00 44.20 ATOM 1336 HH22 ARG 82 -35.378 49.079 -7.830 1.00 2.32 ATOM 1337 C ARG 82 -27.961 47.520 -12.157 1.00 41.14 ATOM 1338 O ARG 82 -26.864 48.077 -12.056 1.00 70.22 ATOM 1339 N LYS 83 -28.329 46.844 -13.243 1.00 12.00 ATOM 1340 HN LYS 83 -29.138 46.293 -13.200 1.00 37.12 ATOM 1341 CA LYS 83 -27.561 46.876 -14.491 1.00 24.51 ATOM 1342 HA LYS 83 -26.569 47.249 -14.268 1.00 31.41 ATOM 1343 CB LYS 83 -27.445 45.464 -15.090 1.00 24.30 ATOM 1344 HB1 LYS 83 -27.002 45.538 -16.075 1.00 37.12 ATOM 1345 HB2 LYS 83 -28.436 45.044 -15.186 1.00 75.21 ATOM 1346 CG LYS 83 -26.601 44.503 -14.260 1.00 23.11 ATOM 1347 HG1 LYS 83 -26.624 43.528 -14.726 1.00 37.12 ATOM 1348 HG2 LYS 83 -27.017 44.437 -13.264 1.00 21.24 ATOM 1349 CD LYS 83 -25.150 44.969 -14.159 1.00 55.54 ATOM 1350 HD1 LYS 83 -25.122 45.920 -13.646 1.00 37.12 ATOM 1351 HD2 LYS 83 -24.748 45.086 -15.156 1.00 13.20 ATOM 1352 CE LYS 83 -24.290 43.971 -13.397 1.00 55.01 ATOM 1353 HE1 LYS 83 -24.700 43.846 -12.405 1.00 37.12 ATOM 1354 HE2 LYS 83 -23.284 44.361 -13.322 1.00 0.10 ATOM 1355 NZ LYS 83 -24.243 42.647 -14.073 1.00 74.24 ATOM 1356 HZ1 LYS 83 -23.654 41.990 -13.526 1.00 4.21 ATOM 1357 HZ2 LYS 83 -23.839 42.741 -15.026 1.00 54.04 ATOM 1358 HZ3 LYS 83 -25.201 42.247 -14.154 1.00 73.45 ATOM 1359 C LYS 83 -28.229 47.817 -15.503 1.00 11.21 ATOM 1360 O LYS 83 -29.339 47.551 -15.969 1.00 52.10 ATOM 1361 N ARG 84 -27.558 48.919 -15.833 1.00 44.14 ATOM 1362 HN ARG 84 -26.671 49.075 -15.440 1.00 37.12 ATOM 1363 CA ARG 84 -28.111 49.905 -16.770 1.00 53.14 ATOM 1364 HA ARG 84 -29.016 49.490 -17.191 1.00 2.31 ATOM 1365 CB ARG 84 -28.466 51.201 -16.026 1.00 22.12 ATOM 1366 HB1 ARG 84 -27.550 51.684 -15.713 1.00 37.12 ATOM 1367 HB2 ARG 84 -29.045 50.952 -15.148 1.00 64.55 ATOM 1368 CG ARG 84 -29.267 52.194 -16.865 1.00 52.53 ATOM 1369 HG1 ARG 84 -28.712 52.417 -17.766 1.00 37.12 ATOM 1370 HG2 ARG 84 -29.406 53.103 -16.294 1.00 45.24 ATOM 1371 CD ARG 84 -30.635 51.637 -17.249 1.00 42.10 ATOM 1372 HD1 ARG 84 -31.219 51.497 -16.350 1.00 37.12 ATOM 1373 HD2 ARG 84 -30.497 50.683 -17.739 1.00 62.04 ATOM 1374 NE ARG 84 -31.354 52.526 -18.156 1.00 20.32 ATOM 1375 HE ARG 84 -30.902 52.786 -18.984 1.00 21.43 ATOM 1376 CZ ARG 84 -32.556 52.981 -17.946 1.00 50.14 ATOM 1377 NH1 ARG 84 -33.196 52.684 -16.860 1.00 53.22 ATOM 1378 HH11 ARG 84 -32.767 52.100 -16.173 1.00 74.12 ATOM 1379 HH12 ARG 84 -34.111 53.044 -16.706 1.00 64.10 ATOM 1380 NH2 ARG 84 -33.112 53.738 -18.830 1.00 25.24 ATOM 1381 HH21 ARG 84 -32.616 53.967 -19.668 1.00 44.12 ATOM 1382 HH22 ARG 84 -34.032 54.088 -18.683 1.00 31.23 ATOM 1383 C ARG 84 -27.131 50.195 -17.920 1.00 63.55 ATOM 1384 O ARG 84 -26.615 51.306 -18.059 1.00 51.01 ATOM 1385 N LYS 85 -26.871 49.177 -18.736 1.00 4.23 ATOM 1386 HN LYS 85 -27.309 48.316 -18.571 1.00 37.12 ATOM 1387 CA LYS 85 -25.957 49.308 -19.876 1.00 63.34 ATOM 1388 HA LYS 85 -25.886 50.357 -20.125 1.00 23.12 ATOM 1389 CB LYS 85 -24.554 48.789 -19.516 1.00 53.43 ATOM 1390 HB1 LYS 85 -23.931 48.832 -20.400 1.00 37.12 ATOM 1391 HB2 LYS 85 -24.638 47.758 -19.201 1.00 24.22 ATOM 1392 CG LYS 85 -23.859 49.572 -18.404 1.00 31.14 ATOM 1393 HG1 LYS 85 -24.449 49.498 -17.499 1.00 37.12 ATOM 1394 HG2 LYS 85 -23.783 50.608 -18.701 1.00 54.23 ATOM 1395 CD LYS 85 -22.458 49.034 -18.130 1.00 0.40 ATOM 1396 HD1 LYS 85 -21.883 49.079 -19.046 1.00 37.12 ATOM 1397 HD2 LYS 85 -22.533 48.007 -17.802 1.00 65.34 ATOM 1398 CE LYS 85 -21.741 49.843 -17.056 1.00 22.20 ATOM 1399 HE1 LYS 85 -22.304 49.777 -16.133 1.00 37.12 ATOM 1400 HE2 LYS 85 -21.689 50.874 -17.371 1.00 72.05 ATOM 1401 NZ LYS 85 -20.361 49.345 -16.817 1.00 44.33 ATOM 1402 HZ1 LYS 85 -19.892 49.922 -16.090 1.00 34.12 ATOM 1403 HZ2 LYS 85 -19.804 49.391 -17.694 1.00 63.41 ATOM 1404 HZ3 LYS 85 -20.389 48.358 -16.492 1.00 43.43 ATOM 1405 C LYS 85 -26.480 48.548 -21.105 1.00 71.45 ATOM 1406 O LYS 85 -26.353 47.325 -21.188 1.00 74.02 ATOM 1407 N LEU 86 -27.073 49.272 -22.051 1.00 30.13 ATOM 1408 HN LEU 86 -27.192 50.236 -21.909 1.00 37.12 ATOM 1409 CA LEU 86 -27.547 48.672 -23.303 1.00 62.03 ATOM 1410 HA LEU 86 -27.738 47.623 -23.117 1.00 73.55 ATOM 1411 CB LEU 86 -28.854 49.342 -23.763 1.00 42.43 ATOM 1412 HB1 LEU 86 -28.641 50.377 -23.986 1.00 37.12 ATOM 1413 HB2 LEU 86 -29.557 49.309 -22.942 1.00 12.12 ATOM 1414 CG LEU 86 -29.524 48.713 -25.000 1.00 50.21 ATOM 1415 HG LEU 86 -28.825 48.729 -25.824 1.00 4.24 ATOM 1416 CD1 LEU 86 -29.897 47.255 -24.734 1.00 2.11 ATOM 1417 HD11 LEU 86 -30.556 47.200 -23.877 1.00 50.11 ATOM 1418 HD12 LEU 86 -29.002 46.684 -24.537 1.00 74.41 ATOM 1419 HD13 LEU 86 -30.399 46.848 -25.600 1.00 44.52 ATOM 1420 CD2 LEU 86 -30.755 49.519 -25.414 1.00 30.23 ATOM 1421 HD21 LEU 86 -31.470 49.533 -24.603 1.00 34.24 ATOM 1422 HD22 LEU 86 -31.209 49.064 -26.284 1.00 63.44 ATOM 1423 HD23 LEU 86 -30.460 50.531 -25.651 1.00 45.15 ATOM 1424 C LEU 86 -26.463 48.787 -24.388 1.00 70.52 ATOM 1425 O LEU 86 -26.525 49.649 -25.269 1.00 14.32 ATOM 1426 N GLU 87 -25.456 47.925 -24.299 1.00 42.22 ATOM 1427 HN GLU 87 -25.484 47.238 -23.603 1.00 37.12 ATOM 1428 CA GLU 87 -24.295 47.978 -25.194 1.00 32.22 ATOM 1429 HA GLU 87 -24.521 48.665 -25.999 1.00 31.44 ATOM 1430 CB GLU 87 -23.084 48.516 -24.402 1.00 21.41 ATOM 1431 HB1 GLU 87 -22.730 47.735 -23.742 1.00 37.12 ATOM 1432 HB2 GLU 87 -23.416 49.349 -23.796 1.00 52.33 ATOM 1433 CG GLU 87 -21.906 48.998 -25.249 1.00 55.51 ATOM 1434 HG1 GLU 87 -21.290 49.652 -24.644 1.00 37.12 ATOM 1435 HG2 GLU 87 -22.293 49.558 -26.088 1.00 44.24 ATOM 1436 CD GLU 87 -21.037 47.870 -25.779 1.00 32.22 ATOM 1437 OE1 GLU 87 -20.339 47.223 -24.970 1.00 13.54 ATOM 1438 OE2 GLU 87 -21.036 47.636 -27.005 1.00 51.12 ATOM 1439 C GLU 87 -24.013 46.587 -25.794 1.00 11.50 ATOM 1440 O GLU 87 -23.467 45.711 -25.121 1.00 75.24 ATOM 1441 N THR 88 -24.440 46.388 -27.053 1.00 30.20 ATOM 1442 HN THR 88 -24.860 47.139 -27.526 1.00 37.12 ATOM 1443 CA THR 88 -24.304 45.091 -27.766 1.00 32.25 ATOM 1444 HA THR 88 -24.924 45.154 -28.650 1.00 30.31 ATOM 1445 CB THR 88 -22.848 44.813 -28.233 1.00 34.53 ATOM 1446 HB THR 88 -22.813 43.825 -28.669 1.00 43.33 ATOM 1447 OG1 THR 88 -21.939 44.851 -27.123 1.00 72.11 ATOM 1448 HG1 THR 88 -21.661 45.766 -26.973 1.00 11.30 ATOM 1449 CG2 THR 88 -22.406 45.819 -29.291 1.00 44.52 ATOM 1450 HG21 THR 88 -21.392 45.602 -29.596 1.00 52.54 ATOM 1451 HG22 THR 88 -22.450 46.817 -28.881 1.00 15.33 ATOM 1452 HG23 THR 88 -23.062 45.755 -30.148 1.00 34.03 ATOM 1453 C THR 88 -24.798 43.899 -26.928 1.00 62.25 ATOM 1454 O THR 88 -24.340 42.768 -27.103 1.00 73.23 ATOM 1455 N ILE 89 -25.764 44.152 -26.047 1.00 34.24 ATOM 1456 HN ILE 89 -26.113 45.062 -25.983 1.00 37.12 ATOM 1457 CA ILE 89 -26.312 43.114 -25.163 1.00 3.22 ATOM 1458 HA ILE 89 -25.485 42.677 -24.618 1.00 31.33 ATOM 1459 CB ILE 89 -27.303 43.724 -24.134 1.00 32.33 ATOM 1460 HB ILE 89 -28.119 44.175 -24.684 1.00 52.31 ATOM 1461 CG1 ILE 89 -26.610 44.813 -23.293 1.00 21.33 ATOM 1462 HG11 ILE 89 -27.321 45.223 -22.588 1.00 37.12 ATOM 1463 HG12 ILE 89 -26.270 45.603 -23.947 1.00 60.03 ATOM 1464 CG2 ILE 89 -27.893 42.639 -23.230 1.00 33.23 ATOM 1465 HG21 ILE 89 -27.097 42.140 -22.695 1.00 44.15 ATOM 1466 HG22 ILE 89 -28.426 41.919 -23.832 1.00 44.43 ATOM 1467 HG23 ILE 89 -28.575 43.088 -22.522 1.00 54.02 ATOM 1468 CD1 ILE 89 -25.410 44.321 -22.506 1.00 54.51 ATOM 1469 HD11 ILE 89 -25.018 45.131 -21.911 1.00 74.32 ATOM 1470 HD12 ILE 89 -24.647 43.977 -23.189 1.00 44.21 ATOM 1471 HD13 ILE 89 -25.707 43.509 -21.858 1.00 42.21 ATOM 1472 C ILE 89 -27.024 42.001 -25.955 1.00 64.13 ATOM 1473 O ILE 89 -26.719 40.818 -25.797 1.00 5.32 ATOM 1474 N VAL 90 -27.973 42.387 -26.806 1.00 72.43 ATOM 1475 HN VAL 90 -28.145 43.341 -26.927 1.00 37.12 ATOM 1476 CA VAL 90 -28.758 41.419 -27.577 1.00 65.11 ATOM 1477 HA VAL 90 -28.833 40.512 -26.988 1.00 51.34 ATOM 1478 CB VAL 90 -30.195 41.940 -27.841 1.00 40.44 ATOM 1479 HB VAL 90 -30.130 42.803 -28.491 1.00 14.13 ATOM 1480 CG1 VAL 90 -31.037 40.878 -28.548 1.00 15.54 ATOM 1481 HG11 VAL 90 -30.565 40.605 -29.481 1.00 65.13 ATOM 1482 HG12 VAL 90 -32.025 41.272 -28.748 1.00 33.30 ATOM 1483 HG13 VAL 90 -31.120 40.002 -27.919 1.00 75.34 ATOM 1484 CG2 VAL 90 -30.858 42.377 -26.535 1.00 55.51 ATOM 1485 HG21 VAL 90 -30.951 41.527 -25.874 1.00 70.24 ATOM 1486 HG22 VAL 90 -31.839 42.779 -26.744 1.00 52.41 ATOM 1487 HG23 VAL 90 -30.253 43.136 -26.059 1.00 31.14 ATOM 1488 C VAL 90 -28.079 41.081 -28.917 1.00 41.22 ATOM 1489 O VAL 90 -28.236 41.796 -29.909 1.00 35.45 ATOM 1490 N GLN 91 -27.313 39.993 -28.924 1.00 41.42 ATOM 1491 HN GLN 91 -27.203 39.494 -28.090 1.00 37.12 ATOM 1492 HA GLN 91 -26.524 40.342 -30.815 1.00 4.11 ATOM 1493 CB GLN 91 -25.223 38.996 -29.765 1.00 71.00 ATOM 1494 HB1 GLN 91 -24.772 38.557 -30.645 1.00 37.12 ATOM 1495 HB2 GLN 91 -25.323 38.232 -29.007 1.00 21.11 ATOM 1496 CG GLN 91 -24.280 40.072 -29.232 1.00 63.42 ATOM 1497 HG1 GLN 91 -23.404 39.592 -28.818 1.00 37.12 ATOM 1498 HG2 GLN 91 -24.787 40.623 -28.451 1.00 54.22 ATOM 1499 CD GLN 91 -23.837 41.053 -30.304 1.00 73.00 ATOM 1500 OE1 GLN 91 -24.467 42.081 -30.530 1.00 24.32 ATOM 1501 NE2 GLN 91 -22.748 40.739 -30.977 1.00 23.22 ATOM 1502 HE21 GLN 91 -22.291 39.901 -30.753 1.00 73.13 ATOM 1503 HE22 GLN 91 -22.445 41.354 -31.672 1.00 11.52 ATOM 1504 CA GLN 91 -26.626 39.509 -30.132 1.00 43.22 ATOM 1505 C GLN 91 -27.433 38.390 -30.823 1.00 4.03 ATOM 1506 OT1 GLN 91 -27.611 37.314 -30.203 1.00 37.12 ATOM 1507 OT2 GLN 91 -27.871 38.584 -31.983 1.00 37.12 ATOM 1508 OH2 TIP3 1 -25.026 16.435 13.337 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -24.902 17.384 13.141 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -24.504 16.289 14.132 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -29.811 21.106 8.950 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -30.257 21.844 8.478 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -29.667 20.435 8.252 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -26.934 16.056 -1.469 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.854 15.740 -1.642 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -26.408 15.630 -2.154 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -25.057 14.661 1.914 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -24.789 13.738 1.841 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -24.483 15.022 2.630 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -28.608 17.037 6.145 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -29.138 16.310 6.486 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -28.577 16.879 5.173 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -30.611 13.319 -3.641 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -31.391 13.456 -4.189 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -30.290 12.447 -3.896 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -26.935 14.715 9.635 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -26.484 15.585 9.584 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -26.813 14.335 8.762 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -31.697 35.742 -23.107 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -31.368 35.488 -23.998 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -31.004 35.449 -22.509 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -34.273 35.607 -34.433 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -33.357 35.857 -34.165 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -34.330 34.668 -34.224 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -32.597 37.286 -30.774 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -32.543 38.232 -31.042 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -32.073 37.245 -29.948 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -26.544 22.857 -7.075 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -26.373 21.901 -7.223 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -26.233 23.286 -7.897 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -29.504 32.931 -12.049 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -30.192 33.606 -12.196 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -29.918 32.302 -11.434 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -28.431 27.757 -10.770 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -28.744 28.543 -11.238 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -28.852 27.828 -9.878 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -33.047 26.873 -8.475 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -33.540 26.092 -8.754 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -32.217 26.507 -8.084 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.581 34.717 -8.502 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -31.691 35.646 -8.797 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.965 34.188 -9.232 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -35.200 34.521 -8.039 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -35.290 34.354 -8.998 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -36.092 34.829 -7.762 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -29.791 33.391 -6.871 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -29.506 34.222 -6.421 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -30.341 33.708 -7.619 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -35.334 34.085 -10.847 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -35.124 34.708 -11.577 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -36.078 33.570 -11.183 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.685 34.650 -12.649 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.470 34.419 -13.583 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -31.432 35.603 -12.577 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -31.250 29.660 -6.659 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -31.893 29.705 -7.398 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -31.410 30.486 -6.152 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -32.767 29.573 -8.938 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -33.662 29.881 -9.114 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -32.856 28.592 -8.881 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -29.785 28.060 -8.391 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -30.223 28.744 -7.847 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -30.067 27.219 -7.982 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -28.264 34.967 -15.555 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -29.228 34.979 -15.402 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -27.922 34.367 -14.862 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -26.075 28.469 -12.202 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -26.720 27.980 -11.662 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -25.436 27.788 -12.492 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -32.697 33.255 -10.550 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -33.661 33.434 -10.554 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -32.369 33.701 -11.364 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -28.100 30.808 -10.145 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -29.064 30.965 -10.020 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -27.894 31.258 -10.980 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -26.351 24.570 -9.313 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -25.910 25.435 -9.458 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -27.009 24.516 -10.034 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -27.450 17.091 -8.671 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -27.974 16.314 -8.456 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -26.858 17.205 -7.896 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -27.242 19.500 -9.899 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -28.049 19.649 -10.398 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -27.319 18.569 -9.587 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -36.999 35.033 -4.339 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -36.354 34.326 -4.450 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -37.712 34.623 -3.796 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -38.888 37.008 -9.781 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -37.945 36.833 -9.873 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -39.123 37.503 -10.594 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -35.366 37.460 -8.531 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -35.991 37.952 -7.946 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -35.290 36.583 -8.110 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -31.193 37.287 -12.789 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -30.632 37.624 -12.061 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.000 37.889 -13.539 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -35.219 23.419 0.678 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -35.539 23.644 -0.223 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -34.308 23.091 0.530 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -35.984 25.735 1.969 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -36.906 25.892 1.668 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -35.708 24.932 1.478 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.937 33.569 -3.025 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -39.696 33.984 -2.600 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.185 32.643 -3.103 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -28.413 21.110 4.239 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -28.837 20.843 5.081 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -27.773 20.375 4.051 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -32.359 24.222 5.485 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -32.930 24.992 5.688 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -32.365 24.170 4.510 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -37.033 22.069 2.450 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -36.298 22.473 1.951 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -36.657 21.899 3.337 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -27.868 25.364 6.828 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -27.537 24.503 6.503 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -28.461 25.127 7.574 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -33.062 24.385 -2.139 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -32.949 24.899 -2.953 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -34.031 24.249 -2.074 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -29.954 20.470 1.975 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -29.424 20.653 2.774 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -30.685 19.899 2.297 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -29.132 30.926 5.431 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -29.783 30.431 4.899 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -29.642 31.213 6.224 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -28.675 16.756 3.396 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -29.439 17.193 2.998 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -28.333 16.168 2.679 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -27.813 30.212 -4.324 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -28.687 30.283 -3.882 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -27.287 30.909 -3.919 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -30.284 30.649 -3.150 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -30.771 31.157 -3.839 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -30.546 31.065 -2.320 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -35.804 24.059 -1.969 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -35.916 24.778 -2.638 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -36.514 23.440 -2.171 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -32.535 22.934 0.114 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.599 23.498 -0.694 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.931 22.209 -0.151 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.389 29.500 4.443 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -32.055 29.326 5.145 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.849 30.108 3.820 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -31.715 25.716 -4.379 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -31.214 25.211 -3.726 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -31.375 26.644 -4.281 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -29.350 14.854 -1.720 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -29.930 14.688 -0.969 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -29.768 14.360 -2.460 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -26.170 31.229 11.710 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -26.278 31.759 10.893 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -25.380 30.686 11.538 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -31.470 32.011 -5.231 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -32.226 32.616 -5.384 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -30.728 32.433 -5.721 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -29.197 35.787 -5.806 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -29.866 36.454 -5.546 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -28.355 36.163 -5.500 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -28.407 21.322 14.027 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -28.104 20.486 14.422 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -28.416 21.144 13.062 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -33.392 25.578 8.937 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -32.693 25.401 9.597 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -33.968 24.787 8.981 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -30.943 25.876 -7.105 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -31.174 25.750 -6.162 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -30.116 25.347 -7.220 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -38.710 25.539 1.559 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -38.866 24.585 1.357 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -39.536 25.968 1.318 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -37.592 22.114 6.818 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -37.053 21.760 6.078 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -38.388 21.576 6.809 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -32.460 23.816 2.699 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -33.161 24.502 2.727 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -32.509 23.457 1.779 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -32.143 19.023 2.700 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -32.457 19.787 3.241 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -32.941 18.679 2.293 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -37.420 25.481 4.301 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -38.299 25.475 3.903 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -36.817 25.579 3.538 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -35.843 21.306 4.850 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -35.375 20.582 4.417 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -35.163 21.713 5.435 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -34.219 26.133 6.383 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -33.868 26.066 7.304 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -35.113 25.729 6.442 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -39.183 22.917 1.073 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -38.437 22.565 1.617 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -39.637 22.132 0.762 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -36.055 25.796 -4.078 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -35.313 25.973 -4.701 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -36.766 26.359 -4.395 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -33.029 28.685 6.465 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -33.554 27.860 6.475 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -33.440 29.241 7.172 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -26.618 29.733 5.946 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -27.544 29.940 5.697 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -26.700 28.986 6.573 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -33.732 26.086 3.557 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -34.061 26.320 4.447 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -34.524 26.172 2.978 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -30.776 28.206 -4.383 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -30.596 28.972 -3.805 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -30.935 28.606 -5.263 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -30.431 31.843 7.532 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.272 32.298 7.633 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -29.933 32.069 8.357 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -32.903 21.264 3.985 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -33.029 21.492 4.925 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -32.631 22.103 3.570 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -35.104 23.436 8.684 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -35.745 22.887 9.153 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -35.649 23.945 8.041 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -30.622 23.099 7.283 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -30.246 23.853 7.779 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -31.162 23.517 6.582 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -32.700 31.194 2.719 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -33.560 31.200 2.288 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -32.246 31.967 2.354 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -33.879 30.154 8.579 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -34.667 30.512 8.996 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.401 29.700 9.315 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -30.826 31.264 -10.112 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.487 31.988 -10.177 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -31.330 30.521 -9.719 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -34.002 26.472 -5.792 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -33.191 26.210 -5.311 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -33.674 26.848 -6.624 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -32.749 28.624 10.500 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -31.901 28.719 10.981 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -32.876 27.671 10.428 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -36.553 24.631 6.685 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -36.921 25.028 5.857 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -37.046 23.784 6.779 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -29.496 24.935 8.982 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -28.784 25.252 9.582 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -30.303 24.980 9.531 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -30.582 29.146 7.666 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -30.529 30.127 7.664 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -31.478 28.955 7.321 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -33.859 22.209 6.501 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -33.210 22.918 6.309 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -34.197 22.432 7.391 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -26.692 34.877 2.252 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -27.083 35.732 2.508 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -26.440 34.466 3.103 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -26.559 32.734 9.422 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -26.596 32.657 8.443 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -25.697 33.166 9.595 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -29.239 32.366 9.897 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -28.292 32.593 9.779 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -29.276 31.958 10.783 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -26.656 32.394 6.658 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -26.362 31.473 6.483 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -27.558 32.422 6.298 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -28.566 24.672 -7.410 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -28.082 23.926 -7.002 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -27.939 25.026 -8.055 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -28.215 23.118 2.097 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -28.236 22.512 1.329 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -28.316 22.527 2.869 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -28.975 27.825 5.905 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -28.714 26.975 6.307 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -29.521 28.261 6.592 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -27.191 19.724 -4.444 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -26.706 20.178 -5.151 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -28.115 19.812 -4.699 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -30.581 20.906 -0.596 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -30.368 20.748 0.358 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -30.467 20.041 -1.009 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -25.449 16.991 9.572 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -25.856 17.690 10.132 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -24.565 16.842 9.981 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -27.906 21.762 -0.396 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -27.494 20.943 -0.767 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -28.856 21.654 -0.589 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -26.795 22.672 5.955 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -27.395 22.336 5.264 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -26.068 22.006 5.984 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -26.248 20.159 -7.400 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -26.575 20.070 -8.323 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -26.050 19.240 -7.129 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -32.777 36.071 -3.682 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -33.055 35.426 -4.355 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -33.460 36.779 -3.726 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -28.854 19.736 6.725 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -29.040 18.816 6.454 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -27.933 19.704 7.042 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -27.091 19.498 -1.675 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -26.732 18.624 -1.480 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -27.044 19.565 -2.653 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -28.574 37.963 -3.215 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -27.955 37.400 -3.708 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -29.416 37.893 -3.718 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -31.480 24.987 10.913 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -31.590 24.117 11.314 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -30.978 25.501 11.589 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -28.562 24.140 14.458 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -28.727 23.197 14.255 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -29.293 24.609 14.029 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -30.182 28.773 11.630 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -29.656 28.563 10.827 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -29.788 29.608 11.959 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -29.970 26.279 12.852 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -29.020 26.362 13.067 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -30.234 27.191 12.605 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -26.693 23.473 11.246 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -27.166 24.300 11.014 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -25.777 23.767 11.423 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -28.166 21.057 11.286 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -28.841 20.970 10.578 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -27.724 21.912 11.090 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -26.075 19.240 10.914 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -26.865 19.808 11.050 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -25.583 19.311 11.752 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -34.361 47.844 -30.655 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -34.930 47.062 -30.500 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.928 47.996 -29.806 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -29.278 45.270 -36.000 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -29.762 45.459 -35.176 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -28.749 46.081 -36.156 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.900 40.591 -30.815 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -36.152 39.642 -30.737 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.742 40.716 -31.769 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -35.335 40.672 -33.563 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -34.598 40.851 -34.185 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -35.473 39.701 -33.629 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -35.701 37.911 -33.680 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -35.040 37.198 -33.769 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -36.280 37.790 -34.461 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.650 49.496 -33.109 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -32.323 48.791 -33.046 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -31.228 49.344 -33.986 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -32.050 39.781 -31.761 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -31.257 40.351 -31.678 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -32.071 39.539 -32.710 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -35.159 44.182 -28.212 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -35.338 44.739 -28.993 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -35.230 43.274 -28.546 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -34.410 41.413 -28.760 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -35.078 41.082 -29.413 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -33.720 41.821 -29.318 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -36.555 44.264 -21.487 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -37.165 43.958 -22.170 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -35.838 44.728 -21.991 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -36.376 36.646 -36.018 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -35.595 36.198 -35.638 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.632 36.092 -36.757 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -36.272 43.221 -33.161 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -36.022 42.280 -33.307 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -37.213 43.247 -33.360 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -36.215 37.911 -30.974 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -36.028 37.025 -30.645 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -36.111 37.837 -31.945 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -42.048 42.860 -32.038 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -42.859 43.186 -32.430 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -42.339 42.288 -31.326 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -31.258 49.161 -30.210 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -31.355 49.154 -31.179 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -30.366 48.813 -30.056 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -31.899 41.068 -37.775 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -31.266 40.351 -37.908 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -32.419 41.091 -38.610 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -33.853 44.321 -32.623 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -34.700 43.939 -32.958 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -33.495 43.621 -32.025 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -32.888 46.974 -32.755 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -33.419 47.352 -32.016 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -33.243 46.069 -32.862 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -31.270 51.412 -28.673 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -30.364 51.684 -28.881 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -31.392 50.578 -29.178 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -34.506 36.277 -29.054 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -34.633 37.131 -28.591 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.956 36.508 -29.828 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -33.899 38.743 -27.902 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -34.259 38.790 -26.984 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -34.032 39.644 -28.253 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -32.885 42.310 -31.034 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -33.031 41.370 -31.266 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -31.915 42.427 -31.131 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -35.121 48.352 -20.719 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -35.594 47.597 -20.316 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -34.209 48.021 -20.843 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -35.622 45.367 -30.693 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -34.973 44.999 -31.326 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -36.476 45.054 -31.022 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -34.538 42.454 -26.118 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -34.453 41.842 -26.873 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -34.748 43.311 -26.535 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -34.383 41.378 -23.615 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -34.512 41.844 -24.475 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -33.514 40.936 -23.713 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -32.876 34.894 -27.309 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -33.220 34.003 -27.177 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -33.535 35.319 -27.907 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -33.620 37.663 -23.200 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -32.929 36.954 -23.193 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -34.270 37.363 -22.557 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -26.836 47.007 -33.360 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -27.137 46.100 -33.127 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -27.500 47.593 -32.935 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -29.405 42.637 -36.951 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -30.324 42.518 -37.241 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -29.335 43.602 -36.761 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -29.139 42.590 -34.157 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -30.042 42.975 -34.280 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -28.788 42.520 -35.068 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -30.318 48.670 -35.332 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -29.429 48.595 -35.728 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -30.557 47.756 -35.123 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -28.216 44.765 -32.620 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -28.335 43.940 -33.127 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -29.035 45.270 -32.793 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -31.736 43.357 -34.347 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -32.254 42.589 -34.668 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -32.397 43.925 -33.916 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -33.092 41.099 -35.236 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -32.675 40.262 -34.927 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -32.822 41.165 -36.177 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.612 36.638 -24.634 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -27.810 36.195 -24.972 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -29.349 36.072 -24.951 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -31.778 38.880 -34.331 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -30.810 39.048 -34.356 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -31.850 37.926 -34.116 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -29.030 37.818 -27.835 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -29.962 37.551 -28.006 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -28.571 37.638 -28.687 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -34.788 51.760 -29.956 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -34.699 50.865 -30.307 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -34.853 52.317 -30.736 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -30.707 35.043 -25.570 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -29.998 34.620 -26.109 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -31.497 35.009 -26.148 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -29.463 51.083 -32.573 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -29.296 51.568 -33.388 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -30.366 50.711 -32.694 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -34.325 29.445 -36.980 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -33.456 29.288 -36.611 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -34.489 28.683 -37.539 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -30.210 41.899 -31.646 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.464 41.856 -31.005 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -29.806 42.267 -32.453 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -32.442 46.940 -15.935 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -31.541 47.006 -15.581 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -32.908 46.345 -15.308 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -36.444 46.483 -11.585 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -37.368 46.152 -11.539 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -35.916 45.688 -11.805 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.015 49.225 -11.948 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -36.075 48.252 -11.846 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -36.934 49.499 -12.156 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -28.500 39.868 -13.649 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -28.192 39.056 -13.173 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -29.389 39.619 -13.994 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.601 42.546 -16.697 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -30.544 41.613 -16.978 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -31.476 42.846 -17.028 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -36.424 46.205 -19.573 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -36.580 45.501 -20.246 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -35.955 45.752 -18.862 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -39.331 47.483 -16.869 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -39.076 47.649 -17.804 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -39.570 46.552 -16.852 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.829 45.175 -11.101 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -38.345 44.360 -10.850 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.467 45.312 -10.371 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -30.854 39.164 -14.790 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.693 39.358 -15.732 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -31.733 39.571 -14.607 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -40.856 45.372 -9.149 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -41.575 44.705 -9.203 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -40.683 45.459 -8.188 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -32.224 37.284 -9.512 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -32.470 37.982 -8.865 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -32.905 37.359 -10.206 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -34.582 37.891 -11.098 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -34.908 37.761 -10.178 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -35.265 38.452 -11.515 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -32.335 48.841 -17.956 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -33.212 49.141 -18.217 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -32.487 48.349 -17.122 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -32.048 39.871 -23.638 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -31.365 39.618 -24.303 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -32.578 39.052 -23.521 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -32.098 45.642 -18.335 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -32.467 44.789 -18.021 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -32.223 46.248 -17.574 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -38.578 49.780 -15.651 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -38.260 50.165 -16.489 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -38.904 48.886 -15.909 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -36.630 41.613 -13.482 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -36.242 41.405 -14.360 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -36.623 42.577 -13.442 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -32.377 51.573 -14.437 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -31.812 52.232 -13.987 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -33.164 51.486 -13.845 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -36.377 45.660 -8.796 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -36.989 46.282 -8.348 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -36.284 46.025 -9.692 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -30.566 45.369 -21.648 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -30.049 45.451 -20.821 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -30.666 44.422 -21.771 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -38.483 48.017 -19.416 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -38.173 48.719 -20.023 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -37.823 47.301 -19.523 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -39.813 55.793 -13.173 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -40.189 55.839 -14.054 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -40.586 55.604 -12.591 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -35.137 54.753 -20.320 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -35.051 54.298 -21.187 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -36.098 54.858 -20.198 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -32.026 53.314 -21.326 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -31.764 54.024 -21.942 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -32.864 52.985 -21.691 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.977 48.462 -19.293 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -30.095 49.177 -19.925 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -30.796 48.491 -18.744 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -37.376 35.823 -7.016 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -38.197 36.348 -7.073 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -37.269 35.654 -6.059 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -42.792 43.413 -9.336 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -43.725 43.577 -9.512 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -42.781 42.516 -8.920 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.622 41.380 -18.315 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.915 40.701 -18.424 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.844 41.640 -19.238 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -34.879 38.033 -14.388 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -34.692 37.148 -14.014 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -34.104 38.570 -14.133 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -33.215 40.343 -14.239 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -32.782 41.215 -14.101 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -34.040 40.561 -14.720 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -30.784 54.112 -9.288 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -31.696 54.153 -9.653 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -30.268 53.647 -9.988 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -41.965 55.187 -11.650 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -41.810 54.269 -11.331 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -42.674 55.513 -11.092 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -35.426 40.669 -15.789 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -35.245 40.914 -16.726 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -35.506 39.700 -15.807 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -36.713 39.049 -12.609 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -36.704 40.012 -12.821 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -36.201 38.639 -13.340 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -31.974 41.002 -21.118 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -32.825 41.478 -21.094 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -31.949 40.599 -22.019 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -32.497 39.730 -18.640 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -31.652 39.596 -18.172 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -32.231 39.997 -19.544 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -34.766 42.151 -20.992 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.367 42.921 -21.031 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -34.754 41.812 -21.918 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -35.190 41.244 -7.554 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -35.899 41.761 -7.982 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -35.662 40.473 -7.165 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -33.595 44.775 -14.382 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -32.921 44.080 -14.217 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -34.201 44.704 -13.625 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -41.059 48.296 -8.930 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -40.957 48.357 -7.958 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -40.972 47.341 -9.121 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -34.409 45.455 -22.549 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -33.881 46.011 -21.936 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -33.767 45.131 -23.188 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -33.875 52.418 -8.357 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -33.559 52.882 -9.153 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -33.083 51.952 -8.017 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -32.779 46.803 -20.782 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -32.627 46.477 -19.869 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -31.955 46.566 -21.256 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -37.213 50.074 -20.738 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -37.255 50.530 -21.587 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -36.360 49.575 -20.773 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -31.826 42.690 -14.236 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -31.280 42.748 -15.050 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -31.171 42.473 -13.527 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -41.464 52.692 -10.703 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -41.868 51.793 -10.672 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -40.641 52.565 -11.240 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -34.476 51.834 -24.915 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -34.256 52.145 -25.817 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -34.377 50.881 -24.965 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -34.734 38.963 -25.358 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -34.357 38.372 -24.677 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -35.032 39.737 -24.859 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -42.718 40.865 -8.388 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -42.824 40.231 -7.673 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -41.972 40.510 -8.915 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -37.762 42.104 -8.224 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -37.744 42.836 -7.564 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -38.335 41.424 -7.813 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -40.622 42.652 -10.951 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -40.220 43.455 -11.316 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -41.392 42.979 -10.446 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -37.480 42.804 -10.826 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -37.745 42.022 -11.328 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -37.599 42.538 -9.883 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -39.342 38.600 -11.975 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -39.815 38.654 -12.813 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -38.397 38.734 -12.221 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -36.683 39.092 -6.789 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -36.733 38.630 -5.916 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -37.601 39.401 -6.949 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.097 38.439 -3.569 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -34.009 39.023 -2.778 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -33.607 38.917 -4.272 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -40.487 40.118 -9.911 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -40.489 41.004 -10.345 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -40.155 39.513 -10.607 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -39.233 39.849 -7.485 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -39.654 39.962 -8.366 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.536 38.966 -7.188 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.482 45.695 -19.120 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -29.421 46.674 -19.155 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -30.359 45.530 -18.710 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -33.160 43.435 -17.166 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.597 43.731 -16.348 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -33.759 42.744 -17.525 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -31.634 37.233 -28.166 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -31.927 36.389 -27.772 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -32.372 37.856 -27.972 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -28.694 43.047 -18.593 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -29.223 42.934 -17.773 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -28.785 44.000 -18.804 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -29.759 42.103 -12.641 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -29.157 41.385 -12.913 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -29.170 42.830 -12.394 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -29.982 39.898 -17.425 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -29.741 40.088 -18.361 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -29.110 39.728 -16.986 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -29.496 40.778 -19.949 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -30.304 40.929 -20.491 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -29.221 41.677 -19.670 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -39.300 52.256 -12.226 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -39.284 52.476 -13.177 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -38.956 51.342 -12.187 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -36.900 49.169 -8.889 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -37.391 48.437 -8.466 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -37.609 49.784 -9.192 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -35.249 52.541 -6.043 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -34.903 52.620 -6.965 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -34.465 52.292 -5.519 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -29.817 38.048 -10.517 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -29.826 38.976 -10.249 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -30.588 37.655 -10.048 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -39.232 50.440 -9.268 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -39.699 51.206 -8.886 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -39.909 49.743 -9.308 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -34.591 51.389 -12.916 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -35.088 50.622 -12.561 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -35.277 52.074 -13.056 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -38.556 49.648 -12.896 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -39.135 48.894 -12.740 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -38.494 49.707 -13.875 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -34.317 35.794 -12.772 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -34.277 36.549 -12.141 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -33.392 35.500 -12.852 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -30.953 34.341 -15.239 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -30.841 33.564 -15.800 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -31.637 34.879 -15.706 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -26.301 36.266 -16.892 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -27.062 35.859 -16.415 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -26.702 36.985 -17.397 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -32.918 35.760 -16.455 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -32.929 36.720 -16.559 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -33.790 35.480 -16.753 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -34.417 53.579 -22.751 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -34.602 52.951 -23.487 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -33.838 54.249 -23.153 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -33.136 34.035 -6.248 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -32.425 34.317 -6.852 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -33.945 34.082 -6.801 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -25.051 36.861 4.215 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -25.240 35.951 4.527 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -25.905 37.164 3.846 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -31.843 34.547 0.820 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -32.025 35.229 0.148 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -31.069 34.874 1.283 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -35.285 43.019 -3.705 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -34.745 43.106 -2.890 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -36.029 42.472 -3.437 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -31.330 40.051 0.141 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -31.616 39.882 1.070 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -30.771 39.278 -0.083 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -37.178 44.182 -6.597 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.516 44.274 -5.903 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.794 44.662 -7.363 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -33.374 39.281 -8.066 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -34.116 38.646 -8.165 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -33.810 40.159 -8.089 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -31.294 43.810 -0.799 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -30.626 43.199 -0.427 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -30.809 44.649 -0.913 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -33.487 42.267 -5.654 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -34.068 42.021 -6.404 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -34.109 42.579 -4.962 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -31.046 49.651 -3.985 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -30.737 48.808 -3.586 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -30.243 50.033 -4.371 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -33.363 51.127 -4.393 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -32.603 50.621 -4.029 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -33.726 51.614 -3.612 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -34.667 52.542 -2.450 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -35.530 52.737 -2.887 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -34.688 53.065 -1.643 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -36.630 37.771 -4.441 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -36.773 36.825 -4.244 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -35.780 37.983 -4.003 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -33.873 42.979 -1.263 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -34.209 43.227 -0.395 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -32.920 43.237 -1.232 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -33.508 40.202 -1.589 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -33.736 41.152 -1.572 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -32.729 40.135 -0.999 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -39.863 37.167 -7.287 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -40.657 36.631 -7.206 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -39.614 37.090 -8.242 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -38.106 48.581 -5.047 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -37.986 48.286 -4.138 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -37.313 49.145 -5.223 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -32.523 39.677 -5.476 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -32.719 39.483 -6.418 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -32.687 40.644 -5.393 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -31.542 45.406 -5.093 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.291 44.793 -5.078 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -30.766 44.829 -5.277 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -31.857 51.319 -6.797 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -32.261 51.322 -5.910 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -31.068 51.893 -6.708 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -27.845 50.506 -6.858 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -27.984 50.033 -6.011 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -28.415 51.287 -6.792 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -30.050 47.142 -3.545 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -29.967 46.746 -2.652 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -30.542 46.469 -4.061 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -40.650 48.801 -6.185 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -39.744 48.870 -5.814 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -41.023 49.704 -6.070 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -32.096 36.669 -1.071 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -32.779 37.333 -0.907 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -32.294 36.340 -1.976 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -36.884 53.054 -3.926 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -36.367 52.978 -4.756 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -37.812 52.951 -4.212 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -39.499 52.890 -4.779 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -39.964 53.293 -4.038 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -40.151 52.265 -5.159 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.344 42.042 0.137 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -28.608 41.591 -0.328 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -30.059 41.368 0.164 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -42.323 50.118 -10.485 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -43.087 49.646 -10.823 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -41.852 49.453 -9.938 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -38.755 54.300 -7.081 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -37.803 54.410 -7.171 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -38.869 53.889 -6.202 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -32.505 48.003 -5.772 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -32.067 48.576 -5.113 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -32.207 47.100 -5.541 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -41.557 51.389 -5.991 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -41.212 51.815 -6.816 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -42.503 51.577 -6.008 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -40.550 46.098 -6.516 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -40.729 47.034 -6.272 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -40.784 45.598 -5.725 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -38.136 47.183 -7.416 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -38.901 46.597 -7.250 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -38.023 47.670 -6.573 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -40.580 52.610 -8.149 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -39.953 53.337 -7.921 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -40.906 52.845 -9.048 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -27.534 42.731 2.164 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.333 43.681 2.081 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -28.234 42.575 1.495 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -31.838 39.597 2.790 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -30.970 39.935 3.105 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -32.391 39.600 3.575 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -27.578 37.337 3.237 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -27.739 37.970 2.500 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.294 37.513 3.859 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -29.703 37.967 -0.669 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -30.459 37.356 -0.815 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -29.232 37.978 -1.531 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.803 37.676 -4.695 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.471 37.089 -4.276 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -31.321 38.467 -4.973 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -35.794 49.923 -5.412 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -34.982 50.043 -4.888 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -35.895 50.773 -5.885 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -28.372 51.582 -29.908 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -28.591 51.658 -30.855 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -27.403 51.739 -29.871 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -31.861 55.243 -23.336 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -30.973 55.015 -23.699 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -31.798 56.189 -23.128 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -26.657 52.347 -24.893 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -25.828 52.797 -25.164 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -26.564 51.443 -25.244 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -28.820 48.426 -32.131 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -28.959 49.369 -32.360 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -28.575 48.446 -31.179 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -33.569 52.370 -27.545 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -32.682 52.053 -27.842 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -34.144 52.226 -28.329 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -33.142 55.350 -13.149 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -33.576 55.596 -13.992 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -33.041 56.203 -12.675 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -31.505 56.522 -16.256 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -31.271 57.063 -15.467 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -32.463 56.344 -16.146 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -30.614 56.805 -10.260 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -30.577 55.957 -9.782 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.863 56.757 -10.893 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -30.930 53.755 -13.510 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -31.703 54.344 -13.358 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -30.342 54.278 -14.096 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -38.808 52.478 -14.934 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -38.863 51.522 -15.132 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -38.640 52.893 -15.805 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -35.894 54.198 -9.980 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -36.196 53.341 -9.656 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -36.560 54.451 -10.653 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -32.665 57.690 -11.751 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -33.265 58.159 -11.163 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -31.925 57.402 -11.158 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -36.025 58.033 -19.926 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -35.393 58.173 -20.652 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -36.856 57.784 -20.376 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -29.366 64.790 -22.089 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.634 65.351 -21.810 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -29.542 65.061 -22.996 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -37.693 55.298 -19.292 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -38.099 55.800 -20.033 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -37.281 55.981 -18.745 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -35.629 53.815 -16.092 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -35.837 53.633 -15.145 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -36.476 53.644 -16.559 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -35.670 57.949 -17.211 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -35.672 57.956 -18.196 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -36.109 58.771 -16.970 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -35.878 56.140 -25.486 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -36.432 56.000 -26.255 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -35.042 55.666 -25.703 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -33.652 54.745 -26.173 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -33.566 53.949 -26.743 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -32.863 54.725 -25.617 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -28.682 56.537 -20.827 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -28.650 57.448 -21.196 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -29.416 56.567 -20.176 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -34.195 56.147 -15.677 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -34.712 55.336 -15.861 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -34.687 56.855 -16.151 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -34.048 58.566 -22.053 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -34.242 59.476 -22.314 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.146 58.399 -22.414 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -38.289 57.072 -21.289 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -39.084 57.375 -21.740 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -37.604 57.033 -22.006 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -32.996 56.473 -20.295 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -33.758 55.856 -20.258 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -33.316 57.210 -20.838 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -30.802 57.698 -13.864 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -30.131 57.218 -13.334 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -31.516 57.889 -13.224 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.827 62.968 -20.655 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -31.371 63.573 -20.142 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -30.250 63.558 -21.190 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -36.536 53.294 -13.579 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -37.403 52.952 -13.882 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -36.770 53.999 -12.936 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -37.466 55.297 -11.930 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -38.353 55.318 -12.365 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -37.337 56.199 -11.622 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -30.859 60.276 -20.864 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -31.158 60.077 -19.968 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -30.851 61.265 -20.899 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -31.408 58.259 -22.682 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -31.247 58.969 -22.024 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -30.531 58.075 -23.048 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -28.622 59.056 -21.853 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -29.310 59.640 -21.472 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -27.870 59.641 -22.005 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -30.670 56.184 -18.909 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -30.882 56.323 -17.959 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -31.534 56.316 -19.368 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -25.798 52.776 -10.080 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -25.787 51.849 -10.430 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -26.323 52.716 -9.273 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -29.331 54.452 -24.101 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -28.499 54.729 -23.666 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -29.054 53.762 -24.718 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -33.240 54.076 -10.577 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -34.192 54.214 -10.361 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -33.174 54.324 -11.521 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -37.955 53.251 -17.449 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -38.200 52.400 -17.874 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -37.964 53.901 -18.186 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -38.421 50.681 -18.318 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -39.030 49.934 -18.436 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -37.838 50.635 -19.105 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -36.279 57.186 -23.036 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -36.188 56.802 -23.944 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -35.398 57.548 -22.843 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -29.699 53.040 -6.973 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -29.429 53.845 -6.521 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -30.073 53.359 -7.828 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -10.823 -3.530 19.892 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -11.402 -3.873 20.608 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -10.875 -4.204 19.204 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -10.523 -8.704 27.412 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -10.642 -8.324 28.311 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -11.341 -8.432 26.930 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -4.411 -13.851 27.330 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -4.383 -14.420 28.131 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -4.349 -12.936 27.687 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -11.236 -2.036 26.816 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -10.783 -2.881 26.690 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -11.668 -1.865 25.947 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -11.026 -11.320 26.738 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -11.980 -11.289 26.588 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -10.798 -10.402 27.013 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -15.475 -7.610 25.740 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -15.602 -6.658 25.532 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -16.319 -8.014 25.517 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -13.972 -3.492 23.753 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -13.514 -3.940 23.012 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -13.305 -2.854 24.093 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -15.005 -3.460 20.389 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -15.802 -3.611 19.873 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -14.979 -2.486 20.515 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -15.772 -4.948 25.209 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -15.880 -4.361 25.962 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -15.090 -4.510 24.658 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -12.858 -8.333 26.091 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -12.714 -8.339 25.141 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -13.798 -8.059 26.187 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -5.628 -2.722 20.137 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -5.716 -2.606 21.114 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -6.551 -2.648 19.807 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -11.078 -7.662 29.918 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -11.962 -7.947 30.243 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -11.046 -6.698 30.132 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -9.487 -9.957 22.527 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -9.568 -10.565 23.294 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -9.333 -10.555 21.763 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -12.842 -4.641 21.482 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -13.625 -4.242 21.026 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -13.030 -5.587 21.492 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -7.839 -8.953 26.729 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -8.800 -8.745 26.760 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -7.728 -9.659 27.405 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -4.547 -15.083 29.795 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -5.345 -15.437 30.199 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -4.420 -14.206 30.242 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -12.377 -1.405 24.431 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -13.124 -0.832 24.737 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -12.100 -0.998 23.589 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -11.037 -5.013 30.627 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -11.207 -4.700 31.544 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -10.864 -4.201 30.131 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -14.062 1.468 30.117 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -13.730 2.303 29.718 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -14.648 1.087 29.420 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -13.578 -8.437 30.834 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -14.202 -9.022 30.392 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.090 -8.034 31.543 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -11.418 -3.764 33.029 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -11.141 -2.821 33.043 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -11.338 -4.046 33.943 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -12.564 -0.727 30.864 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -13.325 -1.240 31.160 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -12.939 0.160 30.658 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -8.620 -8.786 30.320 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -8.528 -8.699 31.276 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -9.517 -8.419 30.131 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -14.691 9.362 -19.329 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -14.425 9.016 -20.187 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -15.673 9.300 -19.337 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -13.929 11.967 -20.317 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -13.542 12.577 -19.654 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -14.122 11.159 -19.812 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -13.066 13.673 -18.335 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -13.237 14.540 -18.770 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -12.454 13.885 -17.617 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -16.312 11.666 -26.358 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -17.210 11.366 -26.520 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -15.809 11.331 -27.106 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -11.878 12.565 -15.175 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -11.490 13.310 -14.660 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -11.725 11.781 -14.611 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -10.370 8.432 -14.988 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -9.422 8.326 -15.096 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -10.750 8.070 -15.821 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -13.892 8.868 -16.733 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -14.224 8.855 -17.654 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -13.858 9.830 -16.511 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -14.980 13.293 -22.441 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -14.466 12.745 -21.802 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.832 13.415 -22.011 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -15.083 15.197 -10.953 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -15.772 14.857 -10.341 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -15.435 14.997 -11.850 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -15.314 13.872 -25.083 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -15.677 13.069 -25.513 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -15.112 13.583 -24.167 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -11.553 7.398 -17.204 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -12.386 7.904 -17.104 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -11.756 6.732 -17.864 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -18.177 8.468 -7.538 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -17.795 8.136 -8.384 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -17.796 7.872 -6.852 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -13.668 12.999 -10.023 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -13.951 13.805 -10.499 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -12.926 12.650 -10.561 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -11.744 11.747 -11.579 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -11.928 11.142 -12.338 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -11.111 12.415 -11.959 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -17.420 9.051 -19.276 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -18.204 8.795 -19.775 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -17.747 9.208 -18.383 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -16.010 14.790 -13.482 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -16.775 15.404 -13.541 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -16.289 14.015 -13.983 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -15.221 9.103 -11.476 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -14.363 9.221 -11.002 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -14.958 8.905 -12.397 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -20.741 16.782 -7.316 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -20.134 16.318 -6.725 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -20.350 16.648 -8.214 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -12.952 9.716 -10.166 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -12.492 10.454 -10.612 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -12.439 9.568 -9.366 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -17.214 7.039 -5.429 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -16.910 7.678 -4.746 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -16.944 6.184 -5.088 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -15.910 11.407 -9.942 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -15.792 10.641 -10.539 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -15.020 11.821 -9.906 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -9.433 14.633 -16.188 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -8.956 13.830 -15.936 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -10.057 14.789 -15.430 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -14.099 8.343 -14.032 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -14.183 8.504 -14.999 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -13.699 7.468 -13.973 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -13.283 16.286 -14.239 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -12.419 15.792 -14.193 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -13.955 15.586 -14.245 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -16.892 13.985 -9.204 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -17.330 13.913 -8.327 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -16.690 13.058 -9.447 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -20.027 19.507 -13.706 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -19.814 19.602 -14.656 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -20.960 19.820 -13.637 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -14.657 17.653 -12.317 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -14.078 17.201 -12.973 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -14.744 17.004 -11.590 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -12.027 10.179 -13.750 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -11.333 9.599 -14.146 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -12.843 9.644 -13.811 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -13.541 16.026 -19.724 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -14.144 16.761 -19.477 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -13.661 15.938 -20.700 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -10.661 10.038 0.187 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -10.656 9.537 -0.658 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -9.817 10.517 0.179 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -17.123 10.982 4.216 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -17.509 10.708 5.082 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -16.344 10.391 4.105 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -15.813 11.502 1.572 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -16.575 11.354 2.157 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -16.214 11.782 0.717 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -13.343 12.652 1.308 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -14.250 12.279 1.405 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -13.141 12.536 0.371 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -17.842 15.468 7.806 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -17.778 14.746 8.469 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -17.000 15.940 7.887 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -16.713 13.660 4.350 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -16.526 13.951 3.438 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -16.853 12.687 4.271 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -14.376 14.963 4.941 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -15.253 14.528 4.884 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -14.583 15.879 5.214 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -20.592 14.437 10.419 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -20.480 15.047 11.177 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -21.345 13.867 10.682 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -16.623 12.481 -0.921 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -16.732 13.426 -1.103 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -16.592 12.067 -1.810 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -22.616 12.962 11.617 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -22.912 12.118 11.260 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -23.434 13.525 11.612 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -10.548 12.836 9.923 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -10.333 11.897 9.932 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -11.169 12.933 9.165 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -17.735 16.310 11.273 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -17.667 17.289 11.267 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -18.559 16.136 11.776 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -24.261 18.096 3.099 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -23.860 17.217 3.276 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -24.434 18.089 2.140 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -17.237 11.020 -7.631 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -16.787 11.053 -8.504 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -17.643 10.125 -7.605 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -13.529 20.161 12.466 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -14.367 19.810 12.836 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -13.577 21.125 12.636 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -9.502 11.904 6.693 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -8.581 11.926 7.015 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -9.699 10.946 6.605 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -16.374 8.689 -3.407 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -16.061 8.586 -2.504 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -16.507 9.656 -3.506 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -20.452 16.210 8.333 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -20.640 15.505 8.995 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -19.533 16.027 8.047 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -11.810 13.068 7.512 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -10.955 12.738 7.152 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -11.780 14.044 7.349 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -11.061 12.849 -3.708 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -10.464 12.283 -3.208 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -11.794 12.247 -3.974 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -12.158 9.731 5.381 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -12.914 10.309 5.614 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -11.972 9.943 4.443 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -21.164 16.784 0.305 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -20.911 16.188 1.019 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -20.590 16.517 -0.450 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -21.248 18.688 8.977 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -20.795 17.859 8.705 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -20.779 18.958 9.811 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -21.912 20.138 -2.660 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -22.320 20.018 -3.523 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -22.406 19.523 -2.069 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -13.764 11.864 6.027 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -13.243 12.287 6.750 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -14.661 11.805 6.382 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -15.216 11.523 -5.874 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -14.817 12.297 -6.339 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -15.926 11.221 -6.482 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -13.264 17.675 8.077 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -12.831 18.064 8.870 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -14.150 17.412 8.396 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -14.810 9.685 3.661 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -14.034 9.116 3.691 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -14.733 10.154 2.814 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -21.639 13.771 6.187 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -20.697 13.930 5.994 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -22.004 14.659 6.341 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -19.858 9.531 -5.658 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -20.214 8.698 -5.338 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -19.304 9.272 -6.428 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -16.685 11.443 -3.530 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -17.590 11.645 -3.857 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -16.113 11.572 -4.318 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -19.593 16.142 -1.808 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -18.660 15.891 -1.869 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -19.695 16.857 -2.477 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -26.424 18.372 7.342 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -27.086 17.807 6.893 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -26.058 17.799 8.047 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -22.942 17.198 10.762 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -22.575 17.530 11.606 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -22.244 17.378 10.116 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -18.130 13.406 -6.717 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -18.533 13.199 -5.857 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -17.851 12.530 -7.062 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -17.504 11.014 9.309 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -17.510 10.540 10.167 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.623 11.953 9.552 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -19.163 11.911 -4.551 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -19.960 12.106 -4.047 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -19.379 11.069 -5.025 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -17.956 10.222 6.729 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -18.847 9.901 6.884 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -17.651 10.517 7.619 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -10.831 7.616 -4.564 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -11.393 7.628 -5.343 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -10.352 6.758 -4.627 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -19.831 18.334 -3.511 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -20.361 18.965 -2.991 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -19.978 18.614 -4.441 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -27.706 15.275 1.310 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -26.815 14.977 1.585 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -27.630 15.395 0.351 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -12.957 11.023 -4.378 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -13.762 11.164 -4.922 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -12.985 10.088 -4.155 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -11.452 10.514 2.836 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -10.489 10.671 2.944 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -11.538 10.230 1.900 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -24.960 14.296 11.576 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -25.752 14.328 11.004 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -25.072 15.059 12.184 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -22.349 16.475 6.286 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -22.559 17.420 6.134 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -21.704 16.488 7.023 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -17.578 19.059 11.207 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -17.367 19.712 10.531 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -18.569 19.137 11.317 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -23.178 15.644 3.724 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -23.055 15.800 4.685 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -22.313 15.270 3.434 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -20.706 14.579 3.194 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.528 13.662 2.965 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -20.166 14.733 3.997 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -19.069 14.539 5.483 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -18.275 14.112 5.093 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -18.741 14.921 6.322 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -25.096 17.003 0.401 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -24.997 16.186 0.928 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -25.804 16.788 -0.238 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -23.465 16.478 -7.475 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -22.538 16.741 -7.274 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -23.372 15.750 -8.096 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -10.031 16.870 9.733 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -9.864 17.206 8.823 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -10.640 17.521 10.116 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -16.094 5.334 16.171 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -16.248 4.558 15.620 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -16.994 5.568 16.512 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -18.593 6.200 16.701 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -19.522 6.044 16.896 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -18.542 7.167 16.533 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -18.494 13.719 18.980 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -18.248 14.630 18.768 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -18.877 13.777 19.883 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -18.638 10.055 18.680 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -18.572 9.473 17.894 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -17.838 10.627 18.619 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -13.943 2.002 17.630 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -14.521 1.211 17.742 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -13.036 1.630 17.574 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -18.151 8.860 16.211 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -17.190 8.704 16.098 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -18.389 9.447 15.461 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -20.270 8.254 22.599 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -21.205 8.345 22.803 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -20.082 9.006 21.997 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -17.530 17.352 19.531 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -18.486 17.502 19.379 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -17.476 17.127 20.473 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -15.749 16.677 17.448 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -16.252 16.968 16.645 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -16.366 16.854 18.187 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -15.472 8.007 16.029 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -15.644 7.044 16.136 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -15.041 8.076 15.170 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -20.071 10.471 21.005 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -19.450 10.230 20.279 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -20.700 11.072 20.584 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -19.204 9.145 27.039 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -19.929 8.773 26.522 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -18.795 9.801 26.437 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -16.630 11.802 18.166 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -17.137 12.559 18.524 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -16.611 11.963 17.199 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -10.422 14.933 11.702 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -10.522 14.155 11.116 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -10.248 15.673 11.085 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -18.038 11.112 25.357 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -17.884 11.712 26.121 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -17.145 10.858 25.071 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -21.705 15.399 20.236 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -21.020 14.798 20.598 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -21.242 16.262 20.141 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.018 -1.681 23.428 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -16.874 -2.116 23.514 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -15.367 -2.418 23.480 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -12.198 4.909 19.627 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -12.504 5.797 19.910 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -12.452 4.860 18.683 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -17.411 4.526 24.660 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -16.525 4.614 24.261 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -18.002 5.004 24.035 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -13.600 4.642 17.195 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -14.438 5.039 16.884 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -13.817 3.686 17.308 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.834 4.583 23.638 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -14.657 5.029 22.800 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -14.770 3.625 23.416 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -12.343 0.176 22.032 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -12.149 -0.246 21.164 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -11.571 0.766 22.183 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -14.066 2.988 20.232 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -13.340 3.627 20.079 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -14.205 2.575 19.358 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -15.452 -0.129 18.367 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -15.364 -0.292 19.330 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -16.243 -0.610 18.116 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -18.696 10.750 14.202 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -18.065 11.332 14.670 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -19.430 11.350 13.945 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -18.471 7.782 29.601 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -18.614 8.005 28.666 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -18.243 6.834 29.591 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -8.390 3.304 15.827 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -8.712 3.239 14.900 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -9.163 3.653 16.317 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -10.251 14.231 14.338 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -11.036 13.685 14.284 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -10.143 14.588 13.426 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -17.614 15.244 22.577 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -18.080 15.624 23.348 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -16.686 15.256 22.828 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -22.703 15.823 17.575 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -22.528 15.654 18.523 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -22.274 15.086 17.121 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -11.276 14.404 19.279 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -11.614 14.730 20.135 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -10.393 14.057 19.494 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -8.534 14.567 9.029 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -8.939 15.418 9.286 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -9.148 13.897 9.380 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -14.455 8.755 18.512 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -14.850 9.630 18.631 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -14.787 8.460 17.638 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -17.977 13.739 9.959 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -18.955 13.777 10.041 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -17.662 14.434 10.564 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -20.634 12.703 13.552 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -21.283 12.782 12.818 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -21.180 12.807 14.367 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -13.458 3.807 28.804 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -13.881 3.986 27.954 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -12.512 4.006 28.648 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -16.693 12.299 15.450 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -15.901 12.340 14.903 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -17.244 13.059 15.135 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -16.529 4.515 27.301 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -17.229 4.584 26.617 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -16.974 4.785 28.134 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -18.324 14.054 14.254 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -18.418 14.999 14.070 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -19.160 13.661 13.926 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -12.943 18.779 20.746 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -13.626 18.369 20.209 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -13.060 18.382 21.630 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -20.344 12.014 31.450 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -19.939 11.245 31.892 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -20.117 11.890 30.507 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -20.141 16.045 12.630 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -20.478 16.979 12.600 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -20.665 15.633 13.328 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -16.015 19.311 13.438 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -16.556 19.128 12.640 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -16.282 20.220 13.703 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -19.185 10.823 29.229 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -18.961 10.309 30.031 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -19.329 10.139 28.542 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -17.733 9.755 11.800 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -18.066 10.157 12.628 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -17.980 8.830 11.871 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -15.263 8.476 30.803 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -15.106 8.052 29.947 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -15.385 7.727 31.419 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -18.580 6.119 22.738 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -18.720 5.797 21.843 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -19.127 6.936 22.787 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -14.304 5.621 26.289 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -15.148 5.267 26.645 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -14.340 5.405 25.337 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -9.854 0.397 29.551 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -10.077 -0.552 29.496 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -10.172 0.765 28.700 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -15.646 0.540 28.105 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -15.768 1.041 27.273 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -16.257 -0.198 28.028 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -10.259 16.206 24.266 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -10.314 17.159 24.406 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -10.489 15.821 25.145 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -9.890 5.082 21.207 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -10.233 5.819 21.726 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -10.646 4.818 20.635 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -12.936 7.428 20.358 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -13.528 7.857 19.691 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -13.124 7.903 21.176 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -14.393 2.022 22.701 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -13.847 1.217 22.632 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -14.440 2.357 21.771 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -11.218 3.615 16.304 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -12.004 4.154 16.537 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -11.329 2.795 16.826 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -8.051 -2.535 30.265 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -7.624 -3.330 29.859 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -8.990 -2.603 29.990 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -11.323 1.180 17.703 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -11.500 0.474 18.359 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -10.353 1.137 17.563 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -8.982 3.346 29.078 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -9.338 2.957 29.899 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -9.744 3.817 28.690 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -10.190 3.245 13.787 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -10.681 3.456 14.611 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -10.788 2.682 13.292 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -19.973 11.950 23.388 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -19.960 11.278 22.675 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -19.329 11.616 24.045 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -11.049 0.719 27.055 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -10.992 -0.246 26.894 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -11.997 0.901 27.061 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -22.338 15.620 22.986 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -22.931 16.388 23.039 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -22.230 15.470 22.028 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -19.685 13.930 21.459 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -19.867 13.240 22.132 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -18.941 14.450 21.846 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -14.538 0.042 25.034 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -15.194 -0.411 24.465 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -14.969 0.892 25.264 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -8.279 -2.341 19.484 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -8.432 -1.429 19.817 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -9.067 -2.839 19.781 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -8.914 0.258 20.053 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -8.760 0.772 19.228 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -9.187 0.930 20.709 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -15.010 -0.778 21.012 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -14.183 -0.320 21.240 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -15.465 -0.894 21.875 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -22.021 13.036 15.900 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -22.903 12.773 16.178 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -21.425 12.650 16.586 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -10.715 -2.262 29.516 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -11.439 -1.858 30.045 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -11.051 -2.243 28.594 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -19.005 9.474 31.697 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -18.765 8.722 31.109 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -19.834 9.172 32.145 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -15.087 10.732 34.644 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -14.725 11.639 34.714 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -15.593 10.740 33.805 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.213 5.230 29.899 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -16.699 5.819 30.483 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -17.074 4.345 30.284 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -15.076 8.264 35.760 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -15.753 8.302 36.440 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -15.089 9.166 35.358 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -15.303 5.924 31.848 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -14.845 6.096 32.701 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -15.396 4.948 31.821 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -10.280 2.428 31.342 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -10.295 1.584 30.846 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -9.824 2.207 32.182 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -13.745 13.961 30.232 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -14.675 13.872 29.938 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -13.379 13.059 30.151 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -13.744 13.119 35.008 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -14.041 13.769 35.682 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -13.711 13.639 34.179 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -13.995 6.699 28.874 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.092 6.529 27.914 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -13.998 5.810 29.271 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -22.906 11.189 32.072 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -23.585 11.865 32.014 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -22.082 11.650 31.808 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -15.983 2.233 25.894 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -16.019 2.961 26.548 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -16.576 2.531 25.182 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -21.470 8.939 32.671 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -22.060 9.701 32.473 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -22.045 8.304 33.105 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -10.384 5.153 31.144 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -11.259 5.548 31.332 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -10.521 4.188 31.279 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -12.113 10.953 35.499 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -12.592 11.801 35.370 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -12.793 10.279 35.372 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -13.697 6.737 33.945 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -14.232 7.260 34.590 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -12.939 6.412 34.476 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -16.500 10.565 32.238 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -15.967 9.925 31.716 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -17.412 10.209 32.188 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.432 13.299 32.412 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -16.504 12.316 32.404 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -17.347 13.607 32.608 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -17.748 12.543 27.696 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -18.303 11.959 28.265 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -17.174 13.018 28.333 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -14.527 15.194 36.603 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -15.338 15.173 37.120 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -14.423 16.139 36.357 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -9.454 11.420 35.599 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -10.419 11.241 35.486 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -9.334 11.455 36.550 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -11.618 5.917 35.598 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -11.806 4.968 35.796 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -11.710 6.358 36.450 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -12.461 6.881 31.487 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -12.866 6.879 32.386 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -13.215 7.001 30.890 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -11.933 3.333 36.328 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -11.027 2.979 36.195 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -12.434 2.582 36.658 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -15.833 3.203 31.490 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -15.161 2.651 31.040 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -16.193 2.627 32.173 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -10.744 -1.136 32.934 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -9.904 -0.695 32.726 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -11.354 -0.836 32.233 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -11.200 15.962 36.112 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -12.006 15.426 36.171 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -11.381 16.734 36.691 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -18.966 14.258 32.209 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -19.596 13.516 32.101 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -19.039 14.755 31.373 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -8.483 14.024 31.550 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -7.847 14.690 31.869 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -7.954 13.453 30.954 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -31.919 36.332 -33.237 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -30.961 36.156 -33.086 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -32.256 36.577 -32.344 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -26.139 36.194 -28.182 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -26.645 36.418 -29.003 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -26.247 36.992 -27.613 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.458 36.015 -28.832 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -24.410 36.127 -28.605 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -23.375 35.077 -29.037 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -19.224 36.566 -32.857 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -19.075 37.115 -33.661 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -19.791 35.854 -33.165 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -29.348 36.250 -32.273 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -28.901 37.125 -32.183 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -29.044 35.758 -31.502 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -24.964 26.813 -9.981 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -24.201 26.606 -9.390 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -24.622 26.634 -10.885 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -13.086 29.607 -14.600 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -12.699 29.774 -15.483 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -12.311 29.467 -14.028 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -20.777 29.996 -15.236 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -20.778 30.266 -16.181 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -20.147 29.252 -15.200 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -17.628 32.190 -14.437 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -16.936 31.592 -14.789 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -18.088 32.524 -15.238 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -19.564 23.516 -17.402 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -20.040 24.212 -17.918 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -20.226 23.210 -16.750 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -10.742 19.665 -18.792 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -10.729 18.723 -19.094 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -10.311 19.637 -17.910 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -22.515 20.595 -13.733 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -22.933 21.343 -13.244 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -23.056 19.812 -13.481 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -15.731 30.247 -14.619 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -15.938 29.545 -15.271 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -14.763 30.137 -14.454 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -18.138 27.414 -12.552 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -18.425 26.479 -12.499 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -18.431 27.701 -13.437 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -11.814 18.591 -14.934 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -12.514 19.247 -14.815 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -12.278 17.730 -14.866 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -19.042 22.090 -13.364 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -19.693 22.288 -14.060 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -19.116 21.129 -13.239 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -19.386 20.284 -16.290 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -19.455 20.015 -17.217 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -18.419 20.328 -16.125 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -16.025 31.288 -19.592 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -15.423 30.937 -18.890 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -15.453 31.841 -20.137 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -14.433 30.019 -17.809 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -14.831 29.489 -17.099 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -13.484 30.071 -17.565 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -16.273 28.360 -16.462 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -16.505 28.410 -17.415 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -15.838 27.474 -16.365 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -11.805 30.107 -16.976 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -11.375 30.942 -17.294 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -11.144 29.420 -17.149 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -25.998 24.227 -13.045 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -26.459 24.057 -13.875 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -26.715 24.468 -12.416 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -20.723 30.680 -17.889 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -20.542 29.774 -18.201 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -20.074 31.233 -18.373 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -18.743 27.954 -15.321 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -18.705 26.978 -15.468 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -17.850 28.266 -15.582 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -15.246 25.869 -16.232 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -14.451 25.823 -15.646 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -15.259 24.998 -16.682 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -18.761 33.391 -16.723 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -18.617 32.838 -17.521 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -19.502 33.975 -16.972 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -13.965 15.905 -22.428 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -14.174 14.957 -22.536 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -14.231 16.305 -23.284 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -25.870 31.062 -12.962 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -25.039 30.971 -13.485 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -26.072 30.142 -12.683 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -27.300 33.231 -13.666 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -26.778 32.410 -13.490 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -28.096 33.130 -13.094 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -22.607 33.275 -16.310 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -22.600 32.422 -16.767 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -23.562 33.439 -16.118 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -12.573 35.728 -17.210 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -12.284 35.650 -18.146 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -11.875 35.261 -16.711 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -21.508 24.490 -13.564 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -22.172 23.929 -13.113 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -21.316 24.011 -14.387 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -20.766 25.633 -18.597 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -20.432 26.544 -18.455 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -21.457 25.735 -19.258 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -18.110 25.456 -16.082 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -18.534 24.794 -16.670 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -17.172 25.456 -16.356 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -23.819 23.558 -10.076 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -23.343 23.411 -9.220 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -24.734 23.736 -9.807 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -21.027 22.267 -15.361 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -21.732 21.791 -14.867 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -20.522 21.549 -15.804 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -13.973 21.442 -16.349 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -13.393 21.498 -15.550 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -13.342 21.518 -17.098 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -18.819 24.743 -12.874 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -19.774 24.904 -13.036 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -18.752 23.761 -12.828 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -17.064 28.711 -19.070 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -16.862 29.654 -19.259 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -16.591 28.226 -19.759 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -12.997 25.439 -14.735 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -12.461 24.837 -15.292 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -12.333 26.019 -14.308 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -24.290 26.333 -12.576 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -24.826 25.537 -12.783 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -23.416 26.133 -12.948 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -23.337 26.473 -7.906 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -22.606 26.751 -7.323 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -23.408 25.506 -7.747 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -10.441 32.356 -17.492 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -9.534 32.318 -17.863 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -10.523 33.273 -17.163 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -19.719 34.434 -20.135 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -19.830 35.226 -20.663 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -20.156 34.649 -19.284 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -18.706 32.095 -19.159 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -18.980 32.875 -19.696 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -17.786 31.915 -19.445 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -23.556 22.857 -12.647 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -24.429 23.230 -12.876 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -23.496 22.982 -11.666 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -15.730 23.409 -17.283 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -16.212 22.949 -17.999 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -14.963 22.831 -17.101 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -19.591 28.110 -18.072 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -19.351 28.024 -17.133 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -18.741 28.313 -18.519 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -17.614 21.754 -18.395 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -17.370 21.283 -17.581 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -18.353 22.338 -18.126 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -16.493 18.553 -14.165 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -15.805 18.352 -13.494 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -17.120 17.811 -14.089 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -18.965 18.152 -11.597 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -19.426 18.684 -12.289 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -18.551 18.814 -11.028 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -19.467 16.279 -9.633 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -19.315 16.916 -10.361 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -18.733 15.653 -9.706 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -20.734 19.242 -5.965 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -20.789 18.481 -6.570 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -21.457 19.837 -6.261 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -25.244 33.841 -15.752 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -26.022 33.507 -15.277 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -25.574 34.631 -16.224 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -9.977 26.356 -16.590 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -9.055 26.152 -16.846 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -10.433 25.488 -16.617 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -11.933 22.034 -18.080 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -12.424 22.261 -18.906 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -11.414 21.237 -18.322 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -28.073 25.105 -11.410 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -28.145 26.068 -11.207 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -28.989 24.811 -11.483 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -13.479 22.217 -20.274 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -13.320 21.285 -20.543 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -14.032 22.574 -20.973 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -13.220 19.990 -12.014 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -12.320 19.597 -11.908 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -13.823 19.220 -11.949 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -25.294 24.194 -5.072 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -24.413 24.337 -5.497 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -25.792 23.663 -5.732 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -14.934 18.423 -19.418 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -15.698 18.778 -19.880 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -14.176 18.918 -19.789 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -15.327 36.315 -16.709 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -15.079 37.219 -16.487 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -14.483 35.894 -16.965 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -25.279 34.949 -12.811 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -26.083 34.464 -13.086 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.565 34.315 -12.948 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -23.564 30.557 -14.253 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -23.148 29.847 -14.757 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -22.856 31.223 -14.157 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -21.466 32.279 -13.932 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -20.944 31.551 -14.341 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -21.645 32.891 -14.675 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -18.251 16.446 -13.574 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -18.481 16.973 -12.773 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -19.089 16.346 -14.039 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -9.636 19.607 -16.313 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -9.084 18.790 -16.316 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -10.403 19.371 -15.746 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -16.625 20.495 -16.070 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -15.705 20.520 -16.404 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -16.604 19.798 -15.365 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -14.845 16.525 -25.003 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -14.835 16.839 -25.909 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -15.075 15.569 -25.082 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -9.267 34.443 -21.820 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -8.850 34.703 -20.970 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -10.213 34.524 -21.652 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -23.862 18.360 -12.860 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -24.197 18.365 -11.954 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -24.232 17.560 -13.246 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -22.930 20.723 -6.848 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -23.797 20.487 -7.191 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -22.834 21.674 -7.079 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -10.298 21.717 5.496 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -10.686 22.163 4.713 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -10.991 21.082 5.781 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -14.877 30.410 4.903 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -15.654 30.266 4.320 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -14.602 31.344 4.722 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -23.568 29.441 3.209 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -24.006 30.297 3.222 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -22.662 29.636 2.859 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -9.037 29.035 9.445 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -9.467 29.915 9.545 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -8.395 29.170 8.713 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -13.764 23.654 10.410 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -13.318 24.479 10.718 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -14.641 23.948 10.145 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -25.857 23.364 0.338 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -26.563 22.769 -0.010 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.095 23.487 1.266 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -8.858 35.191 6.768 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -9.709 35.604 6.553 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -8.953 34.270 6.451 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -13.166 30.152 6.929 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -13.802 30.224 6.176 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -12.576 29.395 6.672 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -19.498 31.823 3.222 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -20.080 31.065 2.978 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -18.636 31.415 3.369 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -22.785 19.021 5.257 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -21.918 19.279 4.904 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -23.309 18.785 4.458 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -23.952 33.258 10.053 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -23.626 32.380 9.782 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -23.293 33.874 9.694 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -21.304 33.826 9.186 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -20.813 34.287 9.874 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -20.895 34.142 8.350 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -23.565 30.116 11.446 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -23.277 30.793 12.096 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -23.069 30.341 10.633 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -28.709 28.199 9.383 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -27.915 28.191 8.804 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -29.426 28.545 8.801 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -12.774 25.923 11.470 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -12.197 26.428 10.858 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -12.679 26.381 12.316 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -10.452 31.368 9.404 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -11.255 30.876 9.663 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -10.770 32.283 9.263 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -15.482 29.737 8.772 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -16.118 28.977 8.769 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -14.924 29.583 7.994 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -12.741 29.861 9.596 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -12.751 30.050 8.632 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -13.675 29.921 9.856 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -12.342 21.604 9.043 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -12.908 22.216 9.564 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -11.599 22.173 8.739 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -27.177 21.739 8.514 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -27.086 22.136 7.625 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -28.136 21.593 8.612 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -12.297 19.091 10.201 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.216 19.976 9.783 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -12.673 19.283 11.085 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -26.888 18.915 3.805 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -27.367 18.087 3.629 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -25.949 18.688 3.654 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -11.936 19.856 6.807 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -12.142 20.431 7.572 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -12.436 19.034 6.986 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -25.118 20.464 6.096 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -24.275 20.033 5.865 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -25.612 19.772 6.586 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -26.549 27.608 7.721 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -25.641 27.363 8.001 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -26.919 26.775 7.358 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -14.788 32.920 8.145 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -14.560 31.990 8.024 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -15.145 32.965 9.059 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -12.034 33.547 8.706 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -11.841 33.390 7.760 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -12.980 33.751 8.720 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -11.606 15.678 6.952 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -10.819 16.257 6.992 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -12.337 16.254 7.248 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -20.876 32.791 5.364 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -21.135 31.939 5.780 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -20.321 32.523 4.595 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -23.018 34.358 4.803 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -22.244 33.772 4.948 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -22.646 35.257 4.833 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -23.042 18.277 -1.027 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -23.845 17.970 -0.568 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -22.313 17.798 -0.572 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -25.750 17.576 -6.552 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -24.895 17.183 -6.863 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -25.629 17.682 -5.599 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -15.554 16.960 9.619 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -16.325 16.601 10.101 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -15.007 17.351 10.311 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -11.887 32.490 6.208 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -12.478 32.739 5.454 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -12.276 31.660 6.548 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -12.626 29.897 18.983 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -13.375 30.009 19.611 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -11.938 30.475 19.331 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -17.802 28.247 17.740 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -17.678 29.185 17.494 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -17.175 28.107 18.482 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -17.207 17.792 15.455 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -18.169 17.992 15.434 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -16.842 18.285 14.693 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -23.566 25.006 18.039 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -24.155 25.748 18.211 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -23.804 24.348 18.727 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -20.384 27.779 16.823 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -19.554 27.903 17.327 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -20.438 28.571 16.255 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -20.306 17.752 20.108 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -20.820 18.550 19.927 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -19.951 17.894 21.019 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -24.777 28.080 12.987 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -24.040 27.461 13.170 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -24.370 28.781 12.441 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -14.738 30.230 20.698 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -15.074 31.066 20.284 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -14.872 30.365 21.644 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -19.387 16.107 24.609 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -20.064 15.409 24.463 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -19.139 15.998 25.548 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -13.622 30.375 16.455 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -13.189 30.229 17.321 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -13.517 29.517 15.993 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -15.104 26.944 13.813 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -15.878 26.755 14.383 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -15.451 26.850 12.901 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -16.348 27.335 25.769 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -16.735 28.211 25.701 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -16.741 26.841 25.021 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -11.109 25.694 25.486 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -12.056 25.865 25.314 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -10.755 25.435 24.611 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -16.312 23.860 26.250 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -15.814 24.620 26.592 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -16.095 23.136 26.870 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -24.776 22.966 19.495 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -25.688 22.747 19.708 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -24.648 22.613 18.590 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -24.065 19.598 20.192 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -23.787 20.518 20.275 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -24.389 19.529 19.270 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -15.475 32.529 19.482 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -15.551 32.418 18.509 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -15.615 33.471 19.622 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -15.531 32.249 16.726 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -14.868 31.521 16.611 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -15.303 32.884 16.038 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -24.022 24.166 11.926 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -23.886 24.857 12.598 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -23.202 24.202 11.382 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -15.497 21.876 27.954 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -15.643 21.159 27.296 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -15.973 21.563 28.754 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -24.104 17.963 22.412 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -23.999 18.491 21.584 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -24.995 17.603 22.349 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -13.222 22.891 13.316 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -13.539 23.476 14.035 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -13.242 23.454 12.524 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -20.269 20.274 23.648 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -21.239 20.198 23.745 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -20.019 20.960 24.298 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -24.156 22.436 16.861 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -24.956 22.576 16.291 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -23.654 23.261 16.770 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -19.213 21.110 28.186 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -19.266 20.138 28.023 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -18.464 21.206 28.799 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -26.458 22.780 15.558 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -27.094 23.491 15.340 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -26.839 21.991 15.139 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -19.221 18.036 22.575 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -19.469 18.919 22.943 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -19.267 17.436 23.341 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -24.834 19.873 17.469 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -24.468 20.750 17.214 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -25.555 19.723 16.831 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -19.996 18.328 15.347 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -20.739 18.445 15.970 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -20.422 18.362 14.465 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -19.636 25.503 14.487 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -19.815 26.315 13.960 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -20.427 25.420 15.068 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -15.789 27.803 19.715 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -15.462 28.667 20.033 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -14.999 27.385 19.307 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -17.583 26.193 23.545 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -18.299 26.413 22.937 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -17.828 25.295 23.888 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -17.404 26.957 15.347 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -18.219 26.450 15.163 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -17.525 27.280 16.269 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -22.006 20.935 27.913 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -21.098 21.222 28.139 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -22.025 19.997 28.160 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -17.773 30.685 16.230 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -17.119 31.341 16.544 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -17.343 30.278 15.441 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -27.739 26.037 10.749 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -27.478 26.334 11.650 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -28.026 26.864 10.300 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -21.857 25.694 16.028 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -21.399 26.475 16.428 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -22.462 25.384 16.737 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -15.147 26.595 22.356 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -15.999 26.446 22.820 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -15.412 26.893 21.464 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -16.740 29.334 14.137 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -17.080 28.490 14.502 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -15.881 29.096 13.761 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -18.939 28.702 11.051 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -18.839 29.667 11.074 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -18.589 28.448 10.160 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -20.334 27.830 13.275 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -19.850 28.169 12.493 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -20.312 28.580 13.913 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -27.200 26.792 13.313 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -26.401 27.373 13.263 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -27.024 26.212 14.067 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -20.169 29.925 15.072 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -19.328 30.243 15.472 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -20.737 30.706 15.068 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -20.114 22.090 25.733 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -21.017 22.247 26.036 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -19.642 21.783 26.538 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -16.163 19.839 19.321 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -16.662 19.004 19.264 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -15.990 19.950 20.283 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -22.725 26.340 13.505 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -21.936 26.870 13.268 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -22.541 26.034 14.418 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -25.037 21.641 12.530 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -25.900 22.050 12.338 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -24.397 22.366 12.384 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -23.248 32.373 12.948 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -24.013 32.452 13.529 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -23.455 32.956 12.201 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -16.031 32.822 10.554 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -15.939 32.737 11.507 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -16.800 32.261 10.335 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -16.677 27.149 11.515 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -17.456 27.711 11.670 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -16.576 27.150 10.547 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -16.961 23.737 33.823 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -17.548 24.463 34.050 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -17.013 23.134 34.601 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -22.874 19.612 24.261 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -23.382 19.069 23.619 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -23.524 19.828 24.963 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -11.339 27.516 9.687 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -11.927 28.302 9.705 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -10.437 27.898 9.628 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -22.898 18.168 27.832 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -22.408 17.894 27.025 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -23.656 18.675 27.489 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -21.284 17.888 25.655 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -21.693 18.565 25.072 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -20.746 17.346 25.051 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -18.349 23.793 24.455 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -17.645 23.721 25.141 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -19.066 23.215 24.788 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -16.697 20.944 30.204 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -16.384 20.088 30.560 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -16.372 21.602 30.852 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -12.990 25.972 29.639 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -13.671 26.064 28.950 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -12.150 25.908 29.135 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -21.091 13.986 24.859 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -21.757 14.449 24.301 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -20.859 13.186 24.340 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -19.735 18.493 27.838 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -20.111 17.902 28.514 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -20.229 18.269 27.022 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -19.450 14.590 27.027 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -18.893 13.789 27.118 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -20.180 14.309 26.433 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -19.081 15.377 29.638 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -19.212 15.094 28.706 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -19.820 16.002 29.799 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -28.790 31.087 12.380 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -27.828 31.024 12.164 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -28.806 31.395 13.291 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.201 27.189 18.964 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.815 28.086 18.893 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -12.714 26.775 19.699 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -13.739 25.454 24.577 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -13.757 24.500 24.331 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -14.228 25.895 23.855 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -10.864 27.619 14.385 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -11.740 27.755 14.806 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -10.278 27.425 15.121 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -14.469 25.826 27.136 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -14.050 25.668 26.258 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -15.152 26.508 26.947 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -13.204 23.355 27.904 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -13.994 22.781 28.004 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -13.572 24.252 27.824 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -26.572 19.368 15.146 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -25.797 19.356 14.544 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -26.856 18.447 15.182 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -22.559 18.437 16.632 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -23.337 18.877 17.017 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -22.618 17.515 16.959 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -24.441 19.142 13.326 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -23.481 18.994 13.460 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -24.505 20.101 13.085 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -20.401 12.067 17.861 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -19.788 12.759 18.186 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -19.930 11.232 18.041 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -21.276 17.060 29.744 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -21.963 17.310 29.083 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -21.698 17.225 30.594 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -22.284 31.194 9.199 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -21.779 32.035 9.184 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -22.168 30.832 8.299 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -14.615 20.411 35.727 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -14.746 20.941 36.543 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -14.290 21.058 35.068 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.110 21.633 38.138 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -15.466 21.305 38.971 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -14.161 21.816 38.338 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -15.318 22.683 31.955 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -15.059 23.433 31.406 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -15.951 23.070 32.611 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -16.550 13.966 29.774 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -16.484 13.704 30.720 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -17.330 14.555 29.745 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -24.284 20.329 26.530 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -23.487 20.679 26.992 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -24.961 20.996 26.690 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.694 18.622 31.393 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -16.533 18.145 31.406 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -15.160 18.185 32.093 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -13.355 21.761 33.683 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -14.067 22.176 33.145 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -13.030 21.028 33.118 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.113 17.436 33.297 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -14.086 16.462 33.142 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.097 17.520 34.276 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -11.649 24.740 31.727 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -12.342 25.027 31.092 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -10.928 25.387 31.593 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -11.306 23.591 34.175 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -11.365 24.140 33.362 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -12.125 23.059 34.158 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -10.702 22.233 30.942 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -11.138 23.026 31.313 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -10.214 22.576 30.162 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -16.938 22.051 35.963 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -16.564 22.191 36.851 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -16.611 21.177 35.704 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -11.450 20.747 36.151 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -10.611 20.929 35.673 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.140 20.992 35.515 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -12.910 19.560 32.096 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -13.192 18.767 32.609 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -13.664 19.739 31.509 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -13.969 17.809 36.009 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -14.357 18.711 35.905 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -13.172 17.957 36.561 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -14.184 14.766 32.826 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -15.058 14.315 32.818 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -13.810 14.569 31.943 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -23.106 45.471 -32.636 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -23.867 45.195 -32.073 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -22.720 44.639 -32.933 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -26.345 49.633 -36.977 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -25.414 49.550 -36.677 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -26.347 50.418 -37.529 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -28.761 39.912 -36.810 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -28.932 39.778 -35.856 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -28.878 40.873 -36.940 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -18.927 47.601 -31.253 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -19.584 47.350 -31.944 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -19.172 48.513 -31.020 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -17.447 42.964 -33.360 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -17.737 42.116 -32.960 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -17.229 42.735 -34.267 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -30.284 46.467 -33.514 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -31.219 46.565 -33.229 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -29.820 47.213 -33.072 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -22.589 38.620 -36.495 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -23.240 38.671 -35.763 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -22.261 37.711 -36.457 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -25.245 44.504 -31.201 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -25.035 43.577 -30.939 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -26.180 44.473 -31.457 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -21.018 47.372 -32.924 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -21.413 48.265 -32.867 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -21.780 46.767 -32.871 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -19.824 50.077 -30.126 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -19.391 49.650 -29.347 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -19.480 50.980 -30.122 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -25.406 41.778 -38.479 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -25.418 42.563 -39.075 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -26.330 41.503 -38.432 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -27.822 47.627 -35.924 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -27.291 48.328 -36.373 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -27.322 47.437 -35.106 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -22.707 37.515 -33.033 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -23.230 38.275 -33.369 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -22.898 36.802 -33.672 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -18.404 36.879 -30.264 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -18.503 35.967 -29.974 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -18.696 36.864 -31.210 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -24.378 41.454 -35.920 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -23.404 41.569 -35.958 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -24.688 41.736 -36.803 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -18.464 42.598 -27.096 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -18.989 41.792 -26.882 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -18.925 43.316 -26.616 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -25.767 43.987 -39.993 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -26.336 44.711 -39.712 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -25.349 44.309 -40.797 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -26.603 37.480 -34.117 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -26.996 37.967 -33.349 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -26.961 36.586 -34.032 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -33.430 41.212 -40.096 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -33.447 40.924 -41.014 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -34.231 41.736 -39.996 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -18.098 44.579 -31.249 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -18.309 45.457 -31.600 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -17.818 44.064 -32.042 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -20.926 39.634 -39.819 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.142 39.523 -40.753 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -21.791 39.818 -39.396 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -27.099 37.693 -36.829 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -27.690 38.450 -37.023 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -26.989 37.720 -35.859 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -23.466 39.829 -38.813 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -24.143 40.516 -38.634 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -23.294 39.424 -37.934 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -18.389 40.691 -32.090 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -18.680 41.217 -31.308 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -17.739 40.054 -31.716 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -20.544 39.923 -33.600 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -20.870 39.161 -33.098 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -19.753 40.224 -33.095 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -24.395 39.158 -34.437 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -24.515 40.046 -34.849 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -25.305 38.826 -34.315 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -18.744 48.694 -28.046 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -19.513 48.260 -27.595 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -18.189 47.940 -28.340 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -24.278 47.438 -34.075 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -23.802 46.708 -33.626 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -25.218 47.302 -33.819 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -17.918 50.346 -25.838 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -18.172 49.951 -26.695 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -17.775 49.567 -25.253 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -21.435 53.067 -29.012 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -22.360 53.246 -29.311 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -20.903 53.692 -29.511 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -17.734 46.372 -29.153 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -18.153 46.889 -29.879 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -17.611 45.487 -29.542 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -16.086 52.014 -24.571 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -16.739 51.399 -24.970 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -15.535 52.285 -25.311 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -24.140 49.471 -30.796 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -23.514 49.218 -30.082 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -24.422 48.628 -31.176 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -16.762 39.040 -30.642 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -17.256 38.203 -30.521 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -16.215 39.107 -29.857 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.238 38.544 -41.247 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.483 39.067 -40.456 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -23.089 37.660 -40.907 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -18.870 42.273 -29.930 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -18.669 43.158 -30.297 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -18.735 42.375 -28.971 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -19.311 38.550 -37.919 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -20.017 38.919 -38.497 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -18.503 38.706 -38.411 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -24.012 36.238 -35.216 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -24.769 36.763 -34.916 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -24.269 35.941 -36.116 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -17.731 47.908 -24.664 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -18.690 47.679 -24.606 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -17.378 47.271 -25.320 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -15.924 42.805 -25.995 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -16.841 42.649 -26.304 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -15.402 42.805 -26.799 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -17.346 45.899 -26.442 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -17.361 46.018 -27.416 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -18.152 45.376 -26.255 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -16.170 44.763 -24.047 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -16.365 45.404 -24.754 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -15.960 43.934 -24.531 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -22.017 37.812 -30.426 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -22.224 37.649 -31.376 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -22.605 37.197 -29.944 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -20.083 40.502 -26.500 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -20.004 39.807 -27.183 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -21.051 40.655 -26.427 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -20.144 38.491 -28.576 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -19.336 38.160 -29.007 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -20.844 38.361 -29.255 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -26.652 38.247 -26.476 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -27.619 38.115 -26.555 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -26.563 39.100 -26.003 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -21.657 36.850 -26.870 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -22.274 36.626 -27.594 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -21.009 37.451 -27.287 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -22.425 35.662 -24.550 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -21.637 35.725 -24.000 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -22.175 36.136 -25.383 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -29.162 39.767 -34.034 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -29.079 40.728 -33.885 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -28.688 39.361 -33.262 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -28.491 34.277 -26.947 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -27.738 34.428 -26.342 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -28.145 34.509 -27.816 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -22.177 49.113 -28.935 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -21.384 49.461 -29.386 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -21.810 48.498 -28.246 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -17.603 52.949 -22.424 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -17.007 52.599 -23.118 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -18.417 53.157 -22.897 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -26.038 48.892 -27.808 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -26.496 49.169 -26.993 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -25.267 49.494 -27.859 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -25.564 51.539 -29.661 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.169 50.883 -30.276 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -25.090 51.389 -28.817 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -21.806 49.922 -32.224 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -21.103 50.129 -31.581 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -22.636 50.012 -31.712 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -23.793 53.438 -32.758 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -24.030 54.048 -33.460 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -23.679 52.574 -33.219 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -23.804 49.158 -36.057 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -24.007 48.524 -35.322 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -23.051 48.762 -36.506 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -19.415 37.908 -35.235 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -19.827 38.733 -34.927 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -19.347 38.025 -36.208 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -25.221 35.933 -37.687 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -25.906 36.599 -37.442 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -25.488 35.631 -38.558 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -21.658 41.137 -35.828 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -21.178 40.881 -35.015 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -21.803 40.291 -36.291 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -26.292 35.173 -25.595 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -26.072 35.565 -26.467 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -25.611 34.467 -25.472 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -24.120 33.616 -25.257 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -23.710 32.770 -25.052 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -23.444 34.281 -24.999 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -19.571 46.086 -20.827 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -19.206 45.645 -21.630 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -19.649 45.359 -20.174 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -17.836 45.914 -17.749 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -18.234 46.746 -18.064 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -18.400 45.213 -18.146 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -12.779 44.045 -18.842 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -12.336 44.632 -19.461 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -13.709 44.366 -18.830 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -25.229 45.370 -19.177 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -24.670 46.118 -19.409 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -26.066 45.551 -19.627 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -19.668 51.699 -18.518 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -19.092 51.336 -19.216 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -19.039 52.023 -17.831 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -20.608 40.211 -14.824 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -19.925 40.456 -15.504 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -20.549 39.240 -14.775 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -22.659 37.229 -18.817 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -22.129 37.965 -19.178 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -23.383 37.120 -19.471 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -16.113 41.011 -16.882 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -15.792 41.888 -16.589 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -15.323 40.578 -17.244 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -22.203 42.280 -15.792 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -21.950 42.380 -16.744 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -21.642 41.542 -15.475 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -24.153 39.641 -12.323 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -23.857 39.452 -11.407 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -24.132 38.759 -12.769 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -19.204 48.160 -19.060 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -19.375 47.446 -19.714 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -18.799 48.875 -19.592 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -21.265 47.079 -15.474 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -21.679 47.502 -14.698 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -21.184 46.131 -15.216 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -16.788 46.405 -15.130 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -16.972 45.620 -14.568 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -17.054 46.121 -16.030 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -21.863 36.719 -10.713 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -20.914 36.756 -10.536 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -21.919 36.540 -11.680 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -17.074 49.758 -17.638 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.475 50.524 -17.522 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -17.236 49.728 -18.596 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.422 44.782 -18.558 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -16.230 45.312 -18.406 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -15.311 44.277 -17.726 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.915 40.515 -19.451 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.493 39.887 -19.934 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -19.517 41.069 -20.160 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -19.981 41.552 -23.862 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -20.812 42.058 -23.910 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -19.910 41.124 -24.736 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -14.329 43.495 -13.340 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -14.206 44.477 -13.324 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -13.431 43.144 -13.529 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -16.485 41.889 -8.605 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -16.773 42.787 -8.876 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -15.881 41.602 -9.325 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -22.155 48.795 -13.505 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -22.512 49.223 -12.691 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -21.346 49.318 -13.713 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -24.597 46.835 -11.283 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -25.458 47.240 -11.492 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -24.828 46.007 -10.826 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -19.084 42.301 -21.389 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -18.785 43.158 -21.749 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -19.396 41.812 -22.184 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -15.660 52.135 -17.549 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -14.723 52.337 -17.455 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -15.853 52.321 -18.501 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -22.902 50.058 -11.232 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.463 50.926 -11.374 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -22.647 49.808 -10.314 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -24.005 42.904 -19.609 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -24.781 42.338 -19.413 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -24.319 43.811 -19.405 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -18.094 45.999 -11.444 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -19.059 45.901 -11.472 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -17.777 45.480 -12.218 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -20.206 50.889 -22.285 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -20.359 49.915 -22.338 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -19.526 50.983 -21.600 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -14.249 51.861 -22.051 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -13.640 52.605 -22.244 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -14.694 51.691 -22.894 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -21.778 35.751 -13.231 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -22.588 36.227 -13.516 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -21.092 36.050 -13.867 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -18.676 44.602 -22.955 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -17.745 44.645 -23.260 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -19.184 44.423 -23.769 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -21.582 42.427 -18.389 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -21.113 41.680 -18.816 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -22.379 42.564 -18.948 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -18.193 40.245 -7.208 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -17.535 40.679 -7.799 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -18.301 40.885 -6.467 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -14.838 43.365 -16.168 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -13.915 43.085 -16.329 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -14.889 43.471 -15.200 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -22.728 41.059 -26.059 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -23.317 40.347 -25.778 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -23.292 41.622 -26.640 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -27.564 39.628 -16.231 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -27.818 39.685 -15.289 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -26.708 40.094 -16.275 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -30.200 38.800 -25.383 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -30.076 38.654 -26.334 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -29.624 38.131 -24.963 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -19.501 43.057 -12.927 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -19.818 42.146 -12.872 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -19.864 43.486 -12.116 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -20.035 37.037 -15.048 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -20.106 37.160 -16.002 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -19.195 36.541 -14.936 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -25.214 41.193 -16.381 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -24.472 40.618 -16.608 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -25.584 41.464 -17.253 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -21.958 39.186 -20.765 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -22.748 38.661 -21.000 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -22.111 40.057 -21.209 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -22.632 41.637 -21.734 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -23.171 42.181 -21.127 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -22.557 42.185 -22.544 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -18.878 40.699 -16.832 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -19.116 40.652 -17.781 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -17.897 40.792 -16.835 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -24.341 37.674 -21.019 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -25.111 38.252 -20.894 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -24.566 37.145 -21.815 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -22.073 41.352 -12.745 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -22.680 40.632 -12.473 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -21.477 40.927 -13.400 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -19.760 44.688 -25.712 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -19.940 45.602 -25.365 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -20.574 44.466 -26.219 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -17.119 44.335 -13.390 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -16.321 43.786 -13.271 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -17.861 43.692 -13.373 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -20.457 48.183 -22.342 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -20.163 47.442 -21.776 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -20.490 47.795 -23.245 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -15.841 47.502 -11.233 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -16.693 47.009 -11.271 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -16.096 48.421 -11.369 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -14.490 46.178 -13.321 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -15.099 46.415 -14.044 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -14.790 46.723 -12.569 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -19.413 43.991 -19.101 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -20.175 43.565 -18.658 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -19.145 43.344 -19.784 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -15.928 46.115 -21.483 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -15.698 45.504 -20.768 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -15.889 45.568 -22.290 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -17.996 50.332 -20.292 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -17.703 49.712 -21.015 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -17.340 51.063 -20.330 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -20.730 40.556 -8.418 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -19.854 40.316 -8.055 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -20.802 41.507 -8.248 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -21.042 35.082 -17.761 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -21.632 35.815 -18.034 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -21.614 34.510 -17.200 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -24.934 36.392 -23.423 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -25.508 35.961 -24.088 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -24.027 36.218 -23.746 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -12.387 42.215 -16.832 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -12.769 41.385 -17.198 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -12.362 42.829 -17.604 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -24.005 37.236 -13.583 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -24.022 37.300 -14.567 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -24.617 36.491 -13.377 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -25.642 50.279 -11.060 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -26.091 49.481 -11.381 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -24.689 50.077 -11.160 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -23.540 46.847 -5.631 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -23.337 46.851 -6.596 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -24.497 46.625 -5.593 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -17.101 48.564 -22.062 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -16.644 47.743 -21.776 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -17.292 48.411 -23.010 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -20.215 43.696 -7.061 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -20.878 44.004 -6.406 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -19.658 44.482 -7.223 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -22.433 43.043 -24.127 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -22.629 43.925 -24.491 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -22.553 42.438 -24.886 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -20.585 44.425 -10.851 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -20.798 44.322 -9.915 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -21.166 45.165 -11.149 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -22.775 39.329 -9.938 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -22.514 38.397 -10.064 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -22.055 39.709 -9.388 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -21.191 44.523 -14.605 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -20.494 44.143 -14.034 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -21.526 43.756 -15.110 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -15.197 39.106 -7.848 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -14.969 39.748 -7.147 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -15.009 39.585 -8.678 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -17.078 44.489 -9.398 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -17.539 44.973 -10.115 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -16.150 44.438 -9.706 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -15.953 36.545 -7.553 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -15.171 35.972 -7.416 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -15.570 37.425 -7.769 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -21.991 52.337 -26.403 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -21.194 52.283 -25.826 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -21.639 52.623 -27.276 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -14.483 43.915 -10.449 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -13.747 43.423 -10.020 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -14.432 43.650 -11.388 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -12.413 42.439 -9.175 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -11.501 42.481 -9.552 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -12.266 42.441 -8.203 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -13.404 39.813 -17.654 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -12.930 39.348 -18.357 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -13.292 39.232 -16.867 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -15.371 37.284 -11.537 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -15.088 37.899 -12.255 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -16.328 37.262 -11.609 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -14.430 40.793 -10.046 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -13.652 41.302 -9.724 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -14.146 40.451 -10.907 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -8.553 35.025 -19.242 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -8.220 34.233 -18.770 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -8.272 35.779 -18.675 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -26.261 41.240 -13.032 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -27.073 40.735 -13.242 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -25.651 40.570 -12.658 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -26.293 41.589 -18.850 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -27.133 42.092 -18.790 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -26.515 40.814 -19.417 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -27.716 37.705 -12.251 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -28.381 37.638 -11.534 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -27.159 36.926 -12.134 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -22.235 49.533 -8.618 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -21.513 49.088 -8.131 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -22.713 50.021 -7.939 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -24.819 48.766 -14.459 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -23.851 48.746 -14.344 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -25.163 48.680 -13.562 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -21.917 46.654 -11.662 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -22.877 46.689 -11.454 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -21.800 47.336 -12.343 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -24.069 54.270 -14.070 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -24.008 54.331 -13.086 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -24.995 53.998 -14.236 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -21.531 52.352 -11.899 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -21.616 52.574 -12.852 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -20.592 52.466 -11.714 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -19.873 50.210 -14.165 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -19.040 49.699 -14.315 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -19.562 51.110 -13.937 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -17.790 48.928 -15.190 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -17.436 49.221 -16.062 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -17.396 48.035 -15.062 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -17.947 34.338 -12.722 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -18.133 33.508 -13.194 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -17.799 34.984 -13.433 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -23.858 37.363 -16.309 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -24.714 36.931 -16.523 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -23.370 37.354 -17.156 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -27.098 39.483 -20.440 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -28.014 39.808 -20.332 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -27.121 38.981 -21.288 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -17.668 35.528 -15.295 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -16.839 35.817 -15.737 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -17.942 34.734 -15.799 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -27.048 38.019 -22.718 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -27.754 37.688 -23.305 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -26.259 37.514 -22.991 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -16.146 52.372 -20.214 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -16.729 52.840 -20.855 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -15.344 52.143 -20.747 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -19.202 40.354 -1.340 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -18.485 40.555 -0.708 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -19.931 40.026 -0.770 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -23.334 43.968 5.438 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -22.991 43.240 4.879 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -23.114 43.701 6.334 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -24.772 45.638 3.846 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -24.354 44.947 4.411 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -24.222 46.414 3.983 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -27.342 46.956 -0.282 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -26.582 47.429 -0.663 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -26.958 46.423 0.437 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -24.439 45.614 0.491 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -24.391 44.806 -0.068 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -25.171 45.432 1.111 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -17.675 41.219 0.885 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -17.549 41.870 1.618 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -17.620 40.344 1.334 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -10.455 38.558 2.272 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -10.647 39.507 2.162 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -11.329 38.126 2.198 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -16.254 41.556 5.097 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -16.750 40.956 5.691 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -15.452 41.798 5.608 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -28.176 39.089 1.245 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -27.709 39.713 0.654 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -28.759 38.577 0.636 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -13.606 42.120 5.649 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -12.916 42.621 6.089 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -13.384 42.188 4.698 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -25.081 41.647 2.936 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -25.377 40.744 3.085 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -25.902 42.133 2.714 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -17.487 43.293 -1.027 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -17.490 42.612 -0.324 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -17.259 42.805 -1.830 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -27.043 40.749 -0.686 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -26.269 41.256 -0.400 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -26.680 40.103 -1.334 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -13.006 37.149 2.475 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -13.093 37.524 3.372 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -12.937 36.180 2.630 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -21.832 32.015 1.047 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -21.621 31.105 1.365 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -21.040 32.534 1.280 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -19.737 42.366 -3.072 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -19.831 43.133 -2.467 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -19.647 41.595 -2.467 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -14.839 41.451 -6.444 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -13.931 41.770 -6.628 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -15.374 41.792 -7.193 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -16.050 42.519 -4.212 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -16.971 42.482 -4.539 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -15.531 42.084 -4.922 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -21.701 45.907 0.334 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -21.651 46.629 -0.329 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -22.661 45.821 0.517 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -21.048 43.797 2.059 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -20.094 43.797 2.226 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -21.222 44.674 1.657 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -12.491 44.313 -4.672 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -13.193 44.317 -3.991 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -12.751 45.030 -5.294 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -19.808 34.653 7.029 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -20.208 34.037 6.373 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -18.925 34.254 7.223 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -13.201 38.051 5.133 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -13.774 38.696 4.658 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.418 38.185 6.062 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -12.879 46.093 -6.809 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -12.057 46.433 -7.174 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -13.531 46.215 -7.534 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -22.480 42.105 0.423 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -23.106 42.621 -0.114 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -22.003 42.776 0.950 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -18.514 42.231 -5.425 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -19.084 42.763 -6.019 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -18.999 42.232 -4.563 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -17.070 42.936 2.888 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -16.344 43.591 2.793 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -16.861 42.471 3.727 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -20.170 34.249 0.978 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -20.230 34.875 1.742 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -19.261 33.928 1.009 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -18.103 39.650 6.104 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -18.766 40.008 5.503 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -18.476 38.798 6.386 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -19.754 37.208 6.103 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -20.686 37.357 5.867 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -19.759 36.331 6.556 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -21.673 44.904 -5.059 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -22.379 45.554 -5.254 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -21.104 45.357 -4.419 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -26.755 45.465 2.070 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -27.468 45.979 2.469 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -26.049 45.451 2.769 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -20.012 44.322 -1.224 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -19.077 44.185 -0.955 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -20.375 44.921 -0.546 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -12.032 40.565 -4.132 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -12.535 39.746 -4.353 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -12.497 40.925 -3.361 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -14.764 44.452 2.783 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -14.311 45.283 2.936 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -14.053 43.781 2.803 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -24.621 47.681 -1.259 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -24.580 46.954 -0.603 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -23.683 47.913 -1.410 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -20.886 39.907 0.747 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -21.568 40.611 0.663 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -20.208 40.299 1.307 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -22.374 37.121 4.640 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -22.163 38.085 4.656 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -23.359 37.094 4.539 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -20.655 47.758 -7.127 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -19.869 47.188 -7.261 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -21.394 47.236 -7.506 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -25.732 48.187 -3.715 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -24.917 48.310 -4.211 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -25.433 48.031 -2.794 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -18.098 36.957 3.985 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -18.636 37.145 4.788 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -17.408 36.359 4.298 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -21.386 47.837 -4.288 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -20.833 48.131 -5.031 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -22.227 47.566 -4.712 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -18.165 38.566 -3.220 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -18.670 39.262 -2.755 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -17.521 38.259 -2.549 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -21.877 47.925 -1.586 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -21.465 48.776 -1.393 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -21.678 47.774 -2.541 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -11.240 35.952 5.126 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -11.773 35.269 4.661 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -11.863 36.693 5.250 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -14.479 40.847 1.132 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -13.958 40.927 0.300 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -15.395 40.741 0.827 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -22.894 46.706 -8.283 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -23.063 47.484 -8.842 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -23.064 45.943 -8.879 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -29.903 46.279 -0.924 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -28.948 46.470 -0.757 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -30.369 46.868 -0.320 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -18.552 45.936 -7.433 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -18.096 45.436 -8.146 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -17.830 46.278 -6.889 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -14.424 46.357 -9.099 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -14.299 45.496 -9.542 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -14.836 46.918 -9.785 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -21.626 39.714 4.989 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -21.875 40.467 4.406 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -21.781 40.045 5.877 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -20.492 35.997 2.962 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -21.165 36.441 3.519 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -19.649 36.419 3.225 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -17.549 33.252 7.599 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -16.577 33.355 7.601 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -17.707 32.497 8.192 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -14.317 43.720 -2.533 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -14.942 43.272 -3.155 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -14.893 44.212 -1.934 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -10.492 43.293 -3.068 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -9.805 43.067 -3.702 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -11.197 43.704 -3.613 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -13.168 41.443 -1.262 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -12.213 41.579 -1.099 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -13.470 42.291 -1.647 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -22.452 41.985 3.721 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -23.332 41.865 3.289 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -21.972 42.591 3.119 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -17.195 38.985 2.377 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -17.674 38.290 2.876 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -16.381 39.133 2.900 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -14.814 39.700 3.626 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -15.237 40.461 4.080 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -14.538 40.061 2.756 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -29.297 40.506 3.313 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -28.788 41.329 3.350 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -28.897 40.012 2.568 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -25.689 34.207 4.763 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -24.708 34.115 4.809 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -26.017 33.628 5.482 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -10.563 35.264 1.961 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -11.326 34.921 2.479 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -9.967 35.642 2.635 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -28.195 48.852 -4.692 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -27.302 48.644 -4.328 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -28.776 48.165 -4.305 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -27.354 47.441 -7.652 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -26.863 47.036 -6.912 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -27.432 48.377 -7.401 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -17.833 31.026 9.442 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -16.951 30.628 9.268 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -18.461 30.416 8.988 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -19.794 52.080 -24.712 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -19.994 51.678 -23.835 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -19.143 51.469 -25.112 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -23.486 51.097 -34.137 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -23.653 50.504 -34.896 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -22.859 50.599 -33.580 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -24.952 56.450 -23.866 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -25.798 56.111 -23.514 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -25.084 56.456 -24.840 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -23.884 53.696 -30.032 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -24.639 53.099 -29.873 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -23.819 53.740 -31.012 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -25.207 55.747 -26.506 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -25.117 55.662 -27.460 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -24.937 54.873 -26.160 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -28.321 48.918 -29.479 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -27.502 48.768 -28.967 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -28.412 49.900 -29.499 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -23.925 50.699 -27.571 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -23.232 50.186 -28.040 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -23.417 51.325 -27.012 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -24.164 53.489 -25.264 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -23.401 53.064 -25.721 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -23.762 53.919 -24.483 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -12.613 54.013 -22.444 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -11.786 54.060 -21.956 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -12.644 54.835 -22.943 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -27.247 56.730 -16.288 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -27.267 56.444 -17.234 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -26.286 56.747 -16.069 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -28.776 56.564 -12.249 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -28.226 57.201 -12.752 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -28.188 55.785 -12.124 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -27.970 58.357 -14.182 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -28.896 58.582 -14.350 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -27.677 57.914 -15.002 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -18.145 52.353 -16.406 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -18.168 52.526 -15.450 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -17.190 52.371 -16.634 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -21.575 53.286 -14.533 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -21.533 53.238 -15.521 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -22.464 53.670 -14.355 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -22.984 54.811 -23.075 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -22.192 55.340 -22.927 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -23.690 55.481 -23.252 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -29.409 53.831 -19.802 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -29.732 54.660 -19.397 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -29.203 54.077 -20.709 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -23.433 53.196 -19.290 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -23.285 52.834 -20.181 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -24.382 53.424 -19.283 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -24.639 56.173 -15.942 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -24.035 56.086 -16.686 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -24.255 55.593 -15.251 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -27.143 54.384 -12.003 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -26.496 53.943 -11.417 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -26.806 54.215 -12.907 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -26.144 52.071 -22.222 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -26.403 52.285 -23.149 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -25.161 52.103 -22.234 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -19.039 52.841 -13.743 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -18.692 53.678 -13.414 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -19.927 53.076 -14.110 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -26.743 54.185 -14.742 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -27.714 54.211 -14.854 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -26.415 54.838 -15.384 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -29.298 55.225 -15.250 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -30.099 55.564 -15.698 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -28.581 55.812 -15.574 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -27.013 55.741 -18.780 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -27.540 56.051 -19.539 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -26.650 54.880 -19.077 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -29.425 53.010 -11.362 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -28.583 53.475 -11.544 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -29.976 53.190 -12.155 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -26.146 53.315 -19.753 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -26.247 52.845 -20.605 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -26.429 52.657 -19.082 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -21.636 53.195 -17.239 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -22.345 53.271 -17.918 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -20.884 52.805 -17.727 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -27.094 55.175 -22.582 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -27.631 55.727 -21.971 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -26.624 54.563 -21.998 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -23.406 52.347 -21.996 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -23.239 53.244 -22.370 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -22.626 51.833 -22.257 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -23.730 53.985 -11.423 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -22.965 53.384 -11.364 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -24.386 53.604 -10.802 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -2.858 -6.912 11.734 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -3.006 -6.122 12.299 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -3.157 -6.639 10.865 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -8.252 -11.486 20.624 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -8.433 -11.847 19.748 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -7.412 -11.915 20.891 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 0.860 -12.741 22.902 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 1.121 -13.543 22.405 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 1.522 -12.686 23.629 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -4.950 -13.377 23.897 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -5.616 -13.459 24.603 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -4.371 -12.646 24.196 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 1.299 -9.128 18.893 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 1.012 -9.933 19.374 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 2.080 -8.822 19.387 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 3.783 -8.913 20.458 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 3.954 -9.859 20.674 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 4.155 -8.806 19.550 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -2.282 -15.850 19.498 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -1.765 -15.671 20.315 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -2.644 -16.730 19.637 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -8.573 -3.019 14.708 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -9.372 -3.129 14.187 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -7.846 -3.233 14.082 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 0.153 -8.380 14.678 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -0.417 -8.769 13.977 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 0.590 -9.151 15.089 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 5.411 -10.907 25.977 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 5.850 -11.287 26.758 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 6.122 -10.863 25.299 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 5.158 -13.373 14.883 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 4.468 -13.890 14.399 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 5.852 -13.236 14.227 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 3.584 -13.890 19.825 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 2.721 -13.753 19.372 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 4.219 -14.032 19.090 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 4.016 -11.492 16.612 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 4.244 -12.084 17.347 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 4.339 -11.966 15.819 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 4.072 -15.204 25.248 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 4.736 -15.782 24.856 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 3.221 -15.683 25.106 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -5.373 -11.492 18.031 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -5.137 -12.356 17.667 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -4.782 -11.393 18.804 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -3.604 -11.991 20.068 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -3.438 -12.652 19.360 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -3.107 -12.343 20.843 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -3.459 -13.841 18.073 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -3.066 -13.948 17.203 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -3.126 -14.617 18.584 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 8.495 -7.323 30.193 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 8.424 -8.136 29.650 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 8.834 -7.634 31.040 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -4.530 -5.169 20.456 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -4.342 -5.141 21.403 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -5.043 -4.348 20.288 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 2.230 -3.754 16.830 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 2.985 -3.467 16.266 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 2.531 -3.568 17.744 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 0.561 -5.807 15.229 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 0.337 -6.754 15.032 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 1.520 -5.768 15.131 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 4.679 -14.186 27.789 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 4.596 -14.543 26.880 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 4.649 -14.987 28.364 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 2.593 -12.866 24.997 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 2.727 -12.533 25.902 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 3.194 -13.637 24.939 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -6.707 -12.864 26.122 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -5.947 -13.287 26.585 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -7.456 -12.972 26.746 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 5.260 -13.976 17.586 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 5.191 -13.865 16.614 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 6.132 -14.361 17.717 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 0.148 -14.768 29.348 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 0.230 -14.868 28.379 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -0.657 -15.288 29.574 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 1.050 -13.671 18.863 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 0.659 -13.247 18.059 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 0.422 -14.367 19.092 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -9.061 -12.937 27.664 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -9.832 -12.403 27.357 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -9.439 -13.800 27.867 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 1.838 -15.023 21.721 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 2.344 -15.592 22.316 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 2.495 -14.732 21.047 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 6.223 -4.270 28.280 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 6.105 -3.372 27.900 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 7.129 -4.256 28.645 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -2.722 -13.450 22.161 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -3.407 -13.750 22.786 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -2.101 -14.203 22.102 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -0.878 -15.518 21.818 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -0.942 -16.098 22.607 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 0.083 -15.333 21.734 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -0.190 -12.261 16.934 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 0.435 -11.591 16.578 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -1.014 -11.776 17.045 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 3.286 -14.797 13.537 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 3.292 -15.565 12.954 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 2.352 -14.581 13.638 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -5.887 -10.283 25.292 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -6.447 -9.705 25.856 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -6.028 -11.180 25.660 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -1.149 -12.792 24.829 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -0.550 -12.777 24.047 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -1.908 -12.221 24.560 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 7.611 -7.388 27.102 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 6.983 -7.132 27.809 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 7.887 -8.290 27.348 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 4.492 -9.045 17.833 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 4.695 -8.434 17.119 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 4.345 -9.901 17.382 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.417 -7.139 18.702 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.797 -6.421 18.188 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.574 -7.941 18.150 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 1.521 -10.207 16.327 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 1.456 -9.666 17.146 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 2.413 -10.605 16.374 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -1.560 -9.148 12.669 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -1.983 -8.300 12.400 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -1.935 -9.796 12.072 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -6.758 -9.332 17.138 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -6.242 -10.103 17.473 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -7.170 -9.657 16.332 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 1.605 -16.275 24.785 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 0.837 -16.739 24.405 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 1.229 -15.787 25.547 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -3.186 -4.549 13.104 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -3.659 -3.760 13.429 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -2.253 -4.384 13.352 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 0.067 -14.835 26.584 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -0.844 -15.186 26.527 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 0.032 -14.013 26.069 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 0.492 -11.346 20.337 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 0.714 -12.121 19.786 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 0.506 -11.693 21.249 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -6.569 -3.584 12.859 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -6.211 -4.465 12.689 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -6.360 -3.077 12.035 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -3.727 -1.966 18.254 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -4.286 -1.641 17.515 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -4.374 -2.295 18.915 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -1.689 -3.550 33.815 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -1.178 -2.910 34.325 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -2.632 -3.307 33.997 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.645 -3.785 13.834 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.355 -3.077 14.445 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.217 -4.595 14.191 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -0.405 -7.591 28.533 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -0.097 -8.466 28.860 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -0.819 -7.176 29.317 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -3.328 -11.159 24.281 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -3.374 -10.673 23.432 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -3.864 -10.622 24.891 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 0.467 -10.112 29.157 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 0.609 -10.884 29.742 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 0.102 -10.503 28.332 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -4.380 -12.611 30.790 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -3.849 -12.062 31.409 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -4.533 -12.027 30.025 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -1.098 -16.939 24.165 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -1.482 -17.805 24.344 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -1.661 -16.314 24.679 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 1.324 -12.543 30.267 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 1.561 -12.708 31.185 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 0.807 -13.348 30.004 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -2.507 -15.084 25.647 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -2.180 -14.221 25.321 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -3.292 -14.852 26.187 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -0.522 -8.566 25.914 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -0.492 -9.504 26.174 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -0.635 -8.089 26.758 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 0.120 -11.247 26.706 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -0.428 -11.794 26.103 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 0.888 -11.812 26.911 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -2.068 -16.255 29.828 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -2.956 -15.842 29.768 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -2.183 -16.974 30.454 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -1.493 -0.597 16.685 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -2.198 -1.260 16.774 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -0.761 -1.080 16.232 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -11.380 -0.824 19.693 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -11.297 -1.801 19.677 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -10.467 -0.510 19.862 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -6.076 -2.641 22.829 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -6.212 -3.474 23.316 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -6.263 -1.948 23.487 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 9.049 -5.219 26.116 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 8.249 -4.670 26.116 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 8.734 -6.096 26.430 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 3.582 -7.207 27.886 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 3.403 -8.149 28.091 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 4.400 -7.004 28.393 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 9.686 -6.724 22.383 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 9.927 -5.918 22.891 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 10.532 -7.085 22.096 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 7.306 -7.946 23.014 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 8.267 -7.761 22.949 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 6.919 -7.435 22.282 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 6.389 -6.172 24.937 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 6.700 -6.576 25.769 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 6.805 -6.713 24.241 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 7.408 -10.492 24.153 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 8.356 -10.710 24.017 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 7.298 -9.631 23.702 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -5.831 -12.111 21.639 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -5.048 -12.050 21.046 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -5.544 -12.729 22.348 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 2.531 -12.492 27.782 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 2.097 -12.582 28.662 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 3.266 -13.148 27.811 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 4.340 -11.494 21.084 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 4.032 -12.332 20.683 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 5.110 -11.749 21.605 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 4.381 -16.480 29.270 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 4.912 -17.161 29.697 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 3.473 -16.704 29.503 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -9.053 -11.513 24.723 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -9.771 -11.530 25.386 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -8.358 -12.069 25.109 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 1.318 -6.107 26.837 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 2.167 -6.477 27.177 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 0.635 -6.524 27.401 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -7.863 -1.518 16.868 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -8.216 -2.110 16.159 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -8.058 -1.998 17.701 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 0.564 -2.010 15.577 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 1.148 -2.625 16.074 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 1.179 -1.526 14.982 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 5.633 -3.538 17.580 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 5.265 -3.465 16.685 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 5.403 -2.689 18.003 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -5.603 -2.315 10.672 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -4.801 -1.839 10.976 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.669 -2.096 9.738 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 5.923 -6.752 29.232 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 5.894 -5.791 29.003 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 6.682 -6.831 29.838 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 3.018 -9.853 28.143 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 3.052 -10.799 27.899 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 2.173 -9.766 28.632 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -7.591 -10.793 28.687 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -8.009 -10.263 29.402 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -8.174 -11.573 28.590 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -1.698 -11.493 34.754 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -0.837 -11.371 35.165 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -2.190 -12.028 35.387 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -2.963 -10.859 32.417 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -2.860 -9.905 32.442 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -2.490 -11.173 33.220 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -6.709 -7.394 28.797 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -7.325 -7.809 29.437 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -7.034 -7.696 27.928 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -1.724 -3.933 31.039 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -1.400 -4.848 30.907 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -1.633 -3.783 32.003 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -4.924 -11.335 28.351 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -5.879 -11.161 28.501 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -4.511 -10.441 28.392 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -1.106 -6.691 31.087 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -1.624 -6.638 31.927 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -0.233 -6.986 31.370 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -2.132 -6.253 33.539 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -2.765 -6.494 34.223 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -1.921 -5.312 33.727 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -6.580 -4.606 29.329 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -6.578 -5.570 29.168 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -5.632 -4.368 29.383 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -5.768 -2.978 32.026 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -6.660 -2.960 31.646 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -5.185 -3.119 31.256 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -4.280 -2.999 34.308 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -4.807 -3.008 33.474 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -4.909 -2.723 34.980 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -5.762 15.072 -15.054 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -6.011 14.280 -14.533 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -6.246 15.805 -14.619 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -4.696 13.633 -11.870 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -3.774 13.822 -11.582 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -5.141 13.325 -11.052 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -3.384 14.413 -16.289 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -4.150 14.792 -15.803 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -3.042 15.150 -16.802 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -4.583 12.405 -6.251 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -4.895 12.875 -5.441 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -5.165 12.731 -6.953 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -8.748 13.615 -9.117 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -7.800 13.487 -9.315 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -9.147 12.742 -9.303 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -7.880 12.028 -12.020 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -7.287 12.077 -12.802 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -8.681 12.550 -12.296 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -7.101 16.090 -18.500 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -6.680 15.240 -18.267 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -7.960 15.832 -18.879 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -6.249 12.558 -9.836 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -5.911 11.699 -9.491 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -6.808 12.305 -10.604 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -5.267 10.164 -8.948 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -4.722 9.933 -8.170 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -5.211 9.391 -9.515 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -6.040 12.543 -13.996 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -5.414 12.820 -13.288 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -5.463 12.167 -14.695 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -9.613 14.954 -18.876 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -9.677 14.057 -19.224 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -9.603 14.833 -17.896 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -7.745 9.333 -3.945 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -8.309 8.945 -4.630 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -6.860 8.950 -4.118 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -9.545 11.109 -10.047 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -8.858 11.196 -10.739 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -10.384 11.217 -10.531 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -11.053 17.147 -19.655 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -11.935 16.723 -19.713 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -10.445 16.403 -19.457 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -16.995 7.703 -9.881 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -17.384 7.130 -10.547 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -16.338 8.236 -10.377 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -2.188 14.167 -10.867 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -1.361 13.959 -11.311 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -1.949 14.182 -9.909 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -1.490 14.386 -8.275 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -1.734 15.215 -7.831 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -1.440 13.738 -7.554 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -6.039 16.067 -11.545 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -6.516 16.313 -12.364 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -5.592 15.229 -11.771 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -6.345 13.683 -17.349 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -6.233 14.275 -16.579 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -5.827 12.894 -17.119 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -4.417 11.911 -16.143 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -3.873 11.256 -16.590 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -3.897 12.747 -16.216 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -13.941 11.561 -16.597 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -13.962 12.204 -17.323 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -13.218 11.886 -16.015 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -8.783 11.175 2.788 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -8.324 11.949 3.195 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -8.543 11.226 1.841 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -9.392 5.400 -5.218 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -9.154 4.473 -5.289 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -8.600 5.878 -5.549 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -9.743 9.181 6.452 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -9.662 8.255 6.779 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -10.669 9.235 6.110 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -0.939 16.343 -3.219 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -1.464 16.529 -2.410 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -0.783 15.370 -3.183 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -5.523 11.093 0.759 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -5.392 10.766 1.679 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -6.468 10.972 0.597 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -7.538 9.908 4.948 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -8.256 9.476 5.460 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -7.981 10.206 4.125 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -3.475 14.209 -1.953 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -3.741 13.792 -1.101 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -3.113 15.079 -1.685 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -7.696 13.180 4.251 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -7.212 14.030 4.307 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -7.883 12.955 5.173 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -1.951 13.049 -5.823 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -2.879 12.786 -6.010 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -2.007 14.026 -5.666 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -1.199 10.502 -6.394 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -0.248 10.477 -6.536 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -1.376 11.426 -6.118 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -3.849 9.799 -6.541 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -4.137 10.727 -6.380 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -2.865 9.852 -6.534 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -1.073 13.636 -3.179 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -1.923 13.623 -2.694 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -1.262 13.162 -4.004 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -5.218 13.799 -4.002 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -5.330 14.738 -4.197 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -4.591 13.789 -3.240 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -5.312 8.261 -4.809 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -4.653 7.980 -4.162 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -4.799 8.807 -5.452 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -7.524 11.695 -2.503 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -6.895 12.212 -3.025 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -7.617 10.855 -3.002 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -6.441 14.208 7.324 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -6.476 13.233 7.289 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -7.117 14.447 8.002 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -2.329 15.671 -5.551 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -3.058 16.290 -5.782 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -1.881 16.099 -4.793 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -7.228 6.786 -6.149 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -6.529 7.230 -5.624 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -7.006 6.994 -7.061 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 2.078 1.776 14.114 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 1.995 2.597 13.622 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 1.991 2.050 15.053 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -0.986 -2.429 11.463 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -0.825 -2.916 12.301 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -0.595 -2.990 10.787 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -5.306 3.288 10.659 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -5.428 3.238 9.708 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -4.579 2.658 10.842 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -4.440 -2.238 14.029 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -4.661 -1.733 14.840 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -5.293 -2.638 13.757 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -4.355 17.196 -6.549 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -3.876 17.142 -7.408 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -5.246 17.498 -6.794 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -10.062 9.023 -2.340 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -9.164 9.177 -2.679 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -10.501 8.514 -3.055 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -9.603 6.569 7.231 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -9.451 5.814 6.655 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -10.006 6.191 8.018 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -6.796 11.486 7.037 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -6.920 10.896 6.258 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -6.275 10.960 7.652 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.247 14.109 3.151 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -5.008 14.002 3.734 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.923 15.012 3.346 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -8.220 17.287 5.078 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -7.965 17.980 4.436 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -7.523 16.609 4.990 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -6.188 15.378 4.920 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -6.177 15.064 5.860 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -5.330 15.841 4.811 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -4.326 13.498 0.512 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -4.662 12.571 0.547 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -4.150 13.723 1.456 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -5.279 10.472 3.403 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -4.621 10.842 3.998 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -5.983 10.144 3.995 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 0.728 18.209 -4.303 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 0.051 17.596 -3.940 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 1.562 17.758 -4.148 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -3.354 -1.107 11.772 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -2.497 -1.580 11.646 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -3.672 -1.418 12.649 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -0.040 6.156 19.189 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -1.020 6.124 19.144 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 0.150 7.024 19.561 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 3.821 7.923 20.336 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 3.793 6.967 20.139 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 4.442 8.279 19.695 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -4.828 8.732 26.447 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -4.408 9.598 26.528 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -4.145 8.103 26.777 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -7.832 3.388 21.920 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -8.480 4.085 21.673 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -7.050 3.888 22.240 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -2.562 6.133 24.191 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -1.891 5.496 24.545 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -2.708 5.838 23.268 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 3.368 0.430 23.391 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 3.054 0.733 24.270 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 4.249 0.852 23.300 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -1.906 10.247 22.283 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -2.328 11.111 22.225 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -1.158 10.303 21.679 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -1.544 8.664 24.516 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -1.753 9.256 23.761 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -1.964 7.814 24.276 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -1.167 -0.183 19.378 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -1.307 -0.232 18.409 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -0.206 -0.349 19.488 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -0.678 3.342 17.748 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -1.041 4.236 17.710 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -1.246 2.825 17.131 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 2.175 4.855 18.253 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 1.423 5.456 18.439 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 2.807 5.029 18.984 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 1.739 5.046 26.397 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 2.423 4.406 26.686 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 1.766 5.749 27.079 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -8.450 5.871 18.880 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -8.766 5.474 19.709 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -9.152 6.515 18.646 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.553 4.472 23.011 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -5.637 5.186 23.683 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -4.809 4.767 22.444 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 0.708 8.965 25.971 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 0.623 9.903 26.173 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -0.121 8.751 25.475 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 1.791 2.648 16.722 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 2.167 3.452 17.153 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.831 2.717 16.899 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -5.928 17.090 26.277 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -6.102 17.933 25.818 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -5.361 17.342 27.030 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 4.097 -2.558 15.265 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 5.006 -2.199 15.135 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 3.532 -1.982 14.708 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -8.058 15.022 22.920 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -7.629 15.701 22.367 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -8.785 15.501 23.371 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 2.469 7.151 24.728 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 2.166 6.286 25.084 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 1.768 7.779 24.999 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 3.917 3.603 27.340 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 4.184 3.390 28.242 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 4.599 4.242 27.033 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 2.708 1.683 25.721 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 2.276 0.989 26.259 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 3.153 2.259 26.381 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 2.352 -0.910 13.765 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 2.228 -1.010 12.814 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 2.301 0.066 13.913 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -0.868 4.573 25.572 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.106 4.659 25.658 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -1.166 4.351 26.481 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -2.177 1.974 15.952 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -2.723 1.956 15.134 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -1.888 1.041 16.067 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -10.051 1.789 22.254 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -9.232 2.327 22.201 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -10.617 2.281 22.890 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -5.902 1.734 15.717 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -5.281 1.894 14.975 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -6.650 2.330 15.536 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -3.529 4.335 16.943 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -4.387 4.574 16.555 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -3.160 3.674 16.327 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -2.765 6.050 18.918 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -3.032 5.372 18.256 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -3.265 6.854 18.645 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 5.415 4.512 24.078 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 5.164 5.303 23.551 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 5.602 4.868 24.968 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 6.626 -1.593 15.180 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 7.361 -2.064 15.588 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 7.038 -0.837 14.749 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 1.828 7.375 27.917 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 1.448 7.986 27.245 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 2.658 7.794 28.174 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 3.208 0.610 17.863 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 4.103 1.003 17.793 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 2.643 1.211 17.329 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -5.210 6.451 24.849 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -5.265 7.250 25.408 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -4.248 6.337 24.693 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -1.669 4.275 28.153 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -1.240 5.066 28.551 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -1.493 3.554 28.801 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 4.224 6.573 22.720 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 4.104 7.263 22.034 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 3.500 6.745 23.361 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -6.475 4.466 17.485 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -7.051 5.035 18.045 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -7.082 4.116 16.805 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -3.495 5.751 21.584 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -3.810 6.664 21.587 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -3.155 5.621 20.672 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 4.819 7.951 25.929 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 3.972 7.741 25.478 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 5.170 8.700 25.435 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -6.723 14.531 25.658 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -7.157 14.521 24.788 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.345 15.435 25.727 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -10.693 7.565 18.672 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -11.110 8.011 17.929 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -11.393 7.527 19.351 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 1.456 -0.813 19.669 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 1.896 -1.677 19.808 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 2.035 -0.351 19.029 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 5.775 5.533 26.668 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 6.677 5.717 26.953 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 5.399 6.425 26.467 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -5.655 4.220 13.194 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -6.261 4.965 13.201 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -5.627 3.941 12.248 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -6.288 12.604 27.633 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.370 13.226 26.874 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -6.595 11.744 27.271 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -2.800 6.967 27.054 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -2.074 7.005 27.718 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -2.341 6.823 26.211 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -4.407 8.042 17.980 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -5.335 7.780 18.028 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -4.390 8.740 17.318 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -3.908 2.300 13.869 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -4.447 3.100 13.660 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -3.625 1.970 12.990 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -0.713 6.734 28.831 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -0.886 7.387 29.553 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 0.227 6.883 28.598 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -1.466 2.243 29.926 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -0.689 1.698 29.660 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -2.196 1.593 30.002 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 1.547 -0.763 26.644 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 1.041 -1.008 25.862 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 1.888 -1.619 26.982 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 0.170 0.320 28.874 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -0.438 -0.426 29.061 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 0.704 0.010 28.120 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.344 -0.236 31.698 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -8.131 -1.165 31.462 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -8.797 0.113 30.898 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -1.823 -1.439 29.595 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -1.707 -2.207 30.186 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -2.392 -0.831 30.096 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -4.110 -3.464 29.784 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.804 -2.757 29.196 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -3.292 -3.762 30.242 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -11.535 15.506 21.905 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -10.926 16.125 21.434 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -11.103 15.369 22.769 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -13.106 17.383 23.224 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -12.656 16.666 22.725 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -12.792 17.265 24.145 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 7.166 2.908 16.164 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 8.099 3.094 16.016 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 6.705 3.628 15.717 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 3.929 5.128 20.347 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 4.415 4.272 20.290 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 4.015 5.386 21.289 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 5.964 1.287 17.973 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 6.729 0.735 18.239 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 6.331 1.885 17.279 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 5.675 1.840 23.533 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 6.308 1.703 22.797 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 5.686 2.813 23.685 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 2.741 3.722 23.721 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 2.612 3.053 24.415 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 3.681 3.957 23.789 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 8.122 -1.868 29.505 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 8.341 -2.815 29.616 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 7.931 -1.561 30.419 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 7.974 -0.329 19.064 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 8.935 -0.155 19.217 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 7.927 -1.284 18.925 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 6.340 -1.703 27.367 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 6.935 -1.577 28.136 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 6.486 -0.903 26.819 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -8.595 1.064 17.468 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -8.240 0.223 17.098 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -8.340 1.742 16.811 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -6.772 15.386 28.561 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -6.839 15.734 27.655 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -6.627 14.433 28.436 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -6.340 19.712 25.149 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -6.060 19.423 24.245 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -6.984 20.411 24.981 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -8.851 13.605 20.632 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -8.608 14.090 21.453 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -8.971 12.695 20.924 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -5.303 -0.882 16.298 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -6.221 -1.196 16.464 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -5.416 0.071 16.085 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 4.746 -1.325 18.973 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 4.165 -0.706 18.472 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 5.454 -0.758 19.312 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -9.118 15.383 16.546 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -8.593 16.050 16.053 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -9.555 14.855 15.837 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -3.229 1.553 11.282 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -3.333 0.584 11.446 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -2.378 1.626 10.835 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.259 -8.696 28.652 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -5.075 -8.176 28.804 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -3.553 -8.131 28.983 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 2.038 -3.449 27.158 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 1.681 -4.335 26.930 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 2.398 -3.562 28.046 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -8.891 5.170 35.099 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -9.765 5.604 35.081 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -9.082 4.267 35.414 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -8.350 11.824 33.165 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -8.533 12.720 32.805 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -8.786 11.825 34.049 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -6.193 5.300 34.577 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -7.175 5.335 34.684 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -5.855 5.481 35.461 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -6.935 21.928 35.800 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -7.494 22.703 35.986 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -6.802 21.961 34.833 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -3.720 0.772 30.350 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -3.993 1.556 30.864 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -4.567 0.328 30.123 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -8.498 1.864 33.385 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -8.298 1.014 32.936 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -7.750 2.452 33.128 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -6.404 3.409 32.587 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -5.528 3.257 32.175 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -6.209 3.982 33.360 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -6.279 7.675 31.352 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -6.920 6.936 31.284 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -6.647 8.252 32.056 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -1.117 8.630 30.692 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -1.642 8.248 31.435 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -1.065 9.564 30.901 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.473 7.686 32.811 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.371 7.651 33.764 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -3.162 7.018 32.618 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -7.284 9.302 33.391 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -7.491 10.261 33.328 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -7.437 9.089 34.318 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -7.251 10.159 26.753 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -7.978 9.869 26.186 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -6.542 9.506 26.591 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -7.670 5.357 31.009 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -7.329 4.656 31.602 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -8.645 5.228 31.021 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -8.436 15.616 36.043 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -9.418 15.613 36.073 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -8.180 14.879 36.605 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -8.372 6.857 24.843 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -8.072 5.962 25.106 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -7.601 7.248 24.418 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -4.506 5.910 32.420 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -5.072 5.758 33.205 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -4.994 6.593 31.903 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -3.873 3.377 31.425 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -2.949 3.262 31.138 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -3.911 4.305 31.744 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -6.177 17.016 30.622 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -6.239 16.417 31.397 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.509 16.464 29.868 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -10.475 17.748 34.009 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -10.855 17.079 34.611 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -9.511 17.642 34.116 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -9.367 2.472 35.864 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -9.141 2.258 34.926 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -8.865 1.830 36.378 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -6.547 15.541 32.859 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -6.190 14.915 33.499 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -6.984 16.229 33.410 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -6.171 -0.264 29.861 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -6.513 -1.121 29.566 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -6.711 -0.049 30.639 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -6.905 12.191 30.258 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -6.073 11.845 30.598 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -6.728 12.342 29.301 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 0.373 26.916 -10.121 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 0.404 26.474 -9.259 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 0.967 26.379 -10.688 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -11.272 23.932 -16.232 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -11.468 23.264 -16.926 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -10.793 23.428 -15.543 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -1.274 34.279 -16.440 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -1.102 35.042 -15.855 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -1.994 34.591 -17.032 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -3.893 35.089 -13.992 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.586 34.188 -14.239 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.060 35.027 -13.016 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -10.033 22.883 -13.967 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -9.219 22.328 -14.023 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -9.733 23.699 -13.544 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -12.403 21.482 -14.145 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -11.565 21.984 -14.022 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -12.510 20.983 -13.307 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.642 21.574 -14.225 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -7.578 21.723 -15.194 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -6.768 21.874 -13.877 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.298 22.371 -13.034 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -4.329 22.528 -12.984 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -5.644 22.757 -12.197 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -2.671 22.954 -12.434 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -2.201 22.806 -11.582 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -2.199 23.687 -12.835 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 3.525 24.324 -5.492 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 2.696 23.828 -5.660 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 3.672 24.823 -6.321 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -7.263 25.787 -16.937 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -6.740 26.524 -17.342 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -6.746 24.997 -17.129 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -5.295 29.338 -15.256 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -6.020 28.690 -15.084 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -4.689 29.211 -14.519 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 3.125 30.636 -13.228 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 2.870 31.471 -13.632 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 3.194 30.024 -13.965 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -3.462 35.244 -17.716 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -4.352 35.202 -17.321 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -3.587 34.896 -18.626 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -0.671 32.210 -9.097 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -1.220 32.746 -9.717 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -0.562 31.345 -9.556 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -6.259 29.656 -19.810 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -5.819 30.518 -19.644 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -6.886 29.844 -20.512 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -7.338 16.991 -13.809 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -7.731 17.120 -14.697 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -7.620 17.790 -13.308 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 3.781 22.723 -8.635 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 4.447 22.480 -7.985 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 3.664 23.689 -8.509 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -10.763 18.972 -12.410 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -10.945 18.711 -13.333 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -9.787 19.064 -12.376 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 2.339 25.471 -11.434 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 3.093 25.985 -11.077 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 2.743 24.850 -12.044 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -1.178 22.967 -10.128 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -0.295 22.687 -9.817 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -1.507 23.546 -9.419 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -6.220 22.958 -10.540 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -6.386 21.995 -10.491 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -6.051 23.220 -9.614 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -0.064 29.652 -10.009 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -0.045 28.680 -10.147 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 0.807 29.850 -9.610 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -7.031 27.334 -14.638 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -7.138 26.763 -15.426 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -7.637 26.957 -13.991 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 2.205 30.436 -8.689 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 2.990 30.272 -8.122 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 1.588 30.912 -8.100 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -4.374 31.545 -16.620 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -4.749 30.758 -16.173 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -3.823 31.970 -15.934 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -5.843 27.923 -17.748 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -5.981 28.466 -18.558 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -5.477 28.549 -17.103 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -5.283 32.119 -19.095 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.726 32.816 -19.494 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -4.835 31.914 -18.237 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 3.657 29.410 -10.785 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 3.427 29.887 -11.610 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 3.112 29.847 -10.097 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 3.032 33.303 -5.668 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 2.890 34.017 -6.324 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 3.794 33.616 -5.135 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 4.400 26.872 -10.249 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 5.349 27.012 -10.171 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 4.040 27.777 -10.441 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 1.204 22.003 -9.031 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 1.179 21.042 -9.105 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 2.166 22.222 -9.040 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -8.362 17.190 -16.344 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -7.753 17.024 -17.099 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -8.856 16.348 -16.250 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -3.617 34.106 -20.149 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -4.111 33.991 -20.999 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -2.691 34.049 -20.409 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 1.745 29.306 -5.663 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 1.235 30.108 -5.891 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 2.651 29.505 -5.977 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 0.557 25.498 -7.615 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 0.825 24.662 -7.165 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -0.381 25.338 -7.867 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -6.138 20.287 -11.072 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -5.734 19.525 -10.600 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -5.447 20.585 -11.685 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 4.257 22.822 -3.224 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 4.125 23.303 -4.064 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 4.542 23.511 -2.596 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 3.367 25.400 -8.100 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 2.424 25.653 -8.096 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 3.763 25.963 -8.801 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -5.575 18.003 -9.741 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -6.239 17.965 -9.029 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -5.840 17.277 -10.359 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 1.218 23.100 -6.514 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 1.175 22.702 -7.409 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 0.954 22.362 -5.913 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 0.756 20.874 -5.002 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 0.639 19.903 -4.916 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 1.055 21.154 -4.116 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -3.206 16.852 -8.996 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -2.936 16.209 -9.665 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -3.894 17.392 -9.442 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -12.847 38.036 -15.682 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -12.112 38.047 -15.015 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -12.666 37.235 -16.220 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -10.107 34.814 -16.215 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -9.984 35.767 -15.997 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -9.274 34.395 -15.921 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 4.097 30.319 -6.727 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 4.236 31.227 -6.423 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 4.947 29.863 -6.520 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -10.721 26.902 -14.033 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -10.607 27.852 -13.852 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -10.431 26.799 -14.967 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -8.094 19.372 -12.690 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -8.034 20.112 -13.337 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -7.470 19.632 -11.976 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -12.772 19.615 -20.628 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -12.025 19.682 -19.990 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -12.495 18.921 -21.244 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 0.855 31.759 -6.694 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 0.316 32.261 -7.334 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 1.485 32.415 -6.337 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -0.566 35.403 -4.600 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.272 35.684 -5.493 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -0.240 36.106 -4.014 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -2.702 32.710 -14.743 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -2.128 33.152 -15.417 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -2.077 32.272 -14.152 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -7.664 33.698 -15.291 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -6.988 34.343 -15.616 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -7.498 33.644 -14.334 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -8.021 21.744 -16.935 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -7.949 21.646 -17.887 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -8.661 21.047 -16.669 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -4.640 33.435 -22.506 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -4.311 32.873 -23.210 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -5.587 33.587 -22.741 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 3.502 26.953 -0.255 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 3.456 27.915 -0.441 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 3.216 26.876 0.686 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -1.567 24.334 0.940 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -1.065 24.003 0.157 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -2.113 23.566 1.219 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -6.078 30.684 1.832 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -5.126 30.904 1.913 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -6.318 30.343 2.725 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -2.510 34.279 -1.125 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -1.564 34.055 -1.250 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -2.489 35.106 -0.605 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -1.694 26.290 2.846 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -0.794 26.102 3.149 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -1.817 25.689 2.080 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -4.974 17.904 -0.729 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -5.485 17.072 -0.568 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -5.303 18.223 -1.598 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 2.718 26.615 2.342 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 2.018 25.924 2.345 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 2.805 26.866 3.264 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -4.910 20.505 5.665 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -5.779 20.934 5.518 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -4.862 20.396 6.624 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 1.781 31.878 -0.632 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 2.187 31.022 -0.409 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 2.098 32.061 -1.546 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -3.603 28.214 3.066 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -2.846 27.590 2.969 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -3.973 28.285 2.154 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -6.161 29.853 4.390 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -6.264 30.561 5.056 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -5.239 29.568 4.489 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -6.058 15.454 -0.351 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -5.405 14.811 0.004 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -6.780 14.908 -0.667 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 0.234 34.042 -1.294 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 0.839 33.475 -0.764 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 0.666 34.918 -1.296 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 3.113 29.493 -1.277 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 3.694 29.969 -1.904 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 2.507 28.981 -1.852 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 1.569 27.527 -2.494 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 1.628 27.239 -3.430 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 2.179 26.934 -2.022 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 4.806 24.823 -1.323 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 4.325 25.591 -0.926 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 5.152 24.344 -0.562 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -6.826 25.722 5.629 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -6.863 25.542 4.666 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -5.931 26.095 5.763 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 4.378 26.256 -3.632 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 4.548 25.648 -2.886 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 3.989 25.686 -4.324 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -8.956 27.354 6.183 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -9.537 26.727 6.665 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -8.200 26.803 5.893 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -11.602 28.099 6.262 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -10.677 28.172 5.958 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -11.636 27.221 6.694 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 6.498 32.131 -4.768 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 7.347 32.482 -5.126 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 5.973 32.937 -4.579 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 4.770 30.704 -3.184 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 5.199 29.820 -3.221 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 5.408 31.294 -3.640 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -7.480 29.434 7.246 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -8.021 28.806 6.718 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -6.572 29.042 7.227 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -3.849 16.666 4.072 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -2.939 17.024 4.105 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -4.382 17.411 3.715 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 1.295 26.695 -5.136 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 1.031 26.335 -6.004 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 1.492 27.646 -5.321 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -7.618 21.253 5.550 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -8.579 21.451 5.482 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -7.427 21.346 6.511 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 0.022 23.472 -1.057 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 0.494 22.668 -1.341 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 0.228 24.120 -1.756 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 0.728 24.737 2.495 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 0.736 23.831 2.860 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 0.068 24.693 1.776 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -7.907 24.329 7.861 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -8.026 25.031 8.549 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -7.523 24.808 7.096 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -3.987 19.731 1.044 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -4.391 19.158 0.350 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -4.421 19.437 1.877 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -9.276 27.250 12.119 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -9.865 27.311 12.899 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -9.280 28.140 11.749 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -0.152 22.099 3.013 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -0.472 21.684 3.830 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -0.963 22.239 2.487 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -2.747 22.053 1.963 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -3.220 21.373 1.437 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -2.807 21.721 2.884 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 1.708 21.988 -2.656 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 2.686 21.979 -2.735 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 1.449 22.858 -3.034 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 0.835 24.428 -3.549 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -0.096 24.416 -3.870 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 1.246 25.157 -4.055 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -10.851 25.810 7.540 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -10.924 24.848 7.700 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -10.982 26.210 8.426 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 8.503 33.661 -5.739 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 8.028 34.426 -6.137 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 9.430 33.853 -5.896 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -1.432 27.025 10.830 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -1.789 26.270 11.309 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -0.516 27.079 11.119 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -0.756 28.804 -1.935 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -1.050 28.412 -1.103 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 0.074 28.317 -2.152 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -7.774 19.429 3.470 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -8.535 19.591 2.874 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -7.837 20.139 4.144 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 6.053 28.336 -3.223 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 6.492 28.004 -2.433 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 5.421 27.616 -3.469 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -9.147 32.538 6.107 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -8.927 31.848 6.747 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -10.133 32.544 6.089 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 0.303 20.373 0.813 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 0.360 20.959 1.593 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 0.896 20.776 0.170 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -1.596 18.431 0.998 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -2.399 18.991 0.926 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -0.851 19.059 0.843 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -5.127 18.955 3.403 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -6.101 19.022 3.271 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -4.965 19.467 4.224 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 6.474 29.509 -5.712 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 6.476 28.981 -4.892 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 6.690 30.413 -5.415 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -8.360 26.244 9.728 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -8.664 26.240 10.660 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -8.316 27.187 9.502 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -4.987 28.368 7.153 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -4.309 28.355 7.862 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -4.667 27.708 6.505 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -2.394 20.678 4.351 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -3.201 20.651 4.901 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -2.150 19.735 4.236 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -4.189 26.598 5.220 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -4.125 27.245 4.481 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -3.541 25.919 4.993 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -7.148 21.744 8.182 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -7.309 22.716 8.134 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -7.538 21.481 9.023 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -10.392 23.120 7.871 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -10.338 22.689 6.992 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -9.511 23.541 7.984 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 5.116 34.424 -4.242 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 5.097 35.196 -4.852 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 5.282 34.812 -3.374 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -3.630 30.951 5.351 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -3.341 30.305 6.004 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -4.409 31.381 5.768 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -7.420 33.262 3.948 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -7.961 32.929 4.693 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -7.094 34.118 4.257 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -5.996 31.709 6.528 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -6.204 32.565 6.973 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -6.551 31.055 6.997 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -3.419 31.062 2.586 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -3.241 30.105 2.601 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -3.416 31.316 3.536 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -1.491 18.103 3.723 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -0.589 17.801 3.873 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -1.570 18.144 2.742 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -8.330 11.644 0.095 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -8.657 12.551 0.102 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -7.992 11.519 -0.828 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -2.522 16.669 -0.983 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -2.014 17.061 -0.243 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -3.399 17.108 -0.926 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 7.276 35.863 -6.812 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 6.356 36.101 -6.570 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 7.564 36.581 -7.382 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -9.839 17.766 7.166 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -10.269 18.600 6.916 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -9.190 17.600 6.438 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -8.611 24.187 21.461 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -8.064 24.161 22.283 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -8.011 24.530 20.790 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -9.539 21.613 21.801 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -9.437 21.588 22.772 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -9.230 22.505 21.553 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -12.757 25.644 21.343 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -13.452 26.092 21.866 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -13.261 25.081 20.718 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -5.721 19.045 19.794 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -6.212 18.972 18.946 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -4.816 19.242 19.525 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -9.645 17.173 20.979 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -8.676 17.127 20.896 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -9.872 18.071 20.660 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -5.965 18.918 22.586 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -5.824 19.285 21.693 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -6.305 18.027 22.421 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -13.295 27.745 15.701 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -13.908 27.395 15.012 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -13.492 27.211 16.486 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -10.574 25.818 28.329 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -10.580 25.941 27.359 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -10.130 24.952 28.458 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -7.419 23.829 23.878 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -6.916 24.082 24.661 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -7.960 23.069 24.177 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -11.410 20.884 14.064 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -11.769 21.780 13.928 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -11.932 20.329 13.458 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -6.832 18.259 17.419 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -7.160 18.054 16.518 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -6.157 17.563 17.587 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -5.161 16.178 17.952 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -5.942 15.634 18.203 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.532 15.542 17.600 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -11.011 23.125 26.373 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 -11.791 23.124 26.979 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -10.961 24.051 26.057 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -3.025 28.472 9.080 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -2.437 27.869 9.582 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -3.135 29.230 9.659 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -9.210 21.860 24.559 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -9.255 21.210 25.288 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -9.867 22.538 24.810 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -9.378 19.278 17.676 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -9.648 19.536 18.590 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -8.439 19.013 17.768 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -6.897 16.753 20.842 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -6.414 17.502 20.431 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -6.995 16.104 20.111 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 -9.687 20.848 27.053 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 -10.233 20.320 27.642 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 -10.175 21.703 26.974 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 -5.629 20.242 27.781 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 -5.183 19.415 28.067 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 -5.770 20.113 26.817 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 -7.366 22.328 27.278 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 -8.099 21.698 27.149 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 -6.620 21.770 27.573 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -4.541 17.911 28.614 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -5.083 17.595 29.371 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -3.655 17.576 28.800 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 -10.885 24.520 22.995 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 -11.527 24.971 22.402 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 -10.084 24.417 22.440 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -10.426 19.674 20.135 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -10.157 20.402 20.747 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 -11.363 19.488 20.377 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -7.513 15.054 18.735 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -8.107 15.148 17.953 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -8.004 14.455 19.337 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 -7.756 17.236 15.017 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -7.488 16.948 14.137 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 -8.347 18.013 14.847 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -9.293 19.425 14.919 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -9.995 19.999 14.536 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -9.366 19.572 15.883 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -7.703 17.543 34.329 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -7.143 18.218 34.779 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -7.930 16.902 35.048 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -9.576 21.448 34.234 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -8.636 21.665 34.058 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -10.035 22.314 34.173 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 -8.764 26.356 33.187 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 -9.272 26.657 32.399 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 -8.545 27.170 33.652 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -7.975 24.685 31.113 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -7.079 24.330 31.294 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -8.195 25.197 31.914 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -5.311 21.265 30.346 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -5.387 20.922 29.433 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -5.368 20.468 30.909 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 -11.715 18.325 37.470 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -11.534 18.525 38.397 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 -11.524 19.169 36.999 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -9.183 23.490 29.019 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -8.698 23.927 29.763 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -8.474 23.236 28.389 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -6.990 21.700 33.088 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -6.508 20.938 32.712 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -6.598 22.477 32.634 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -5.550 23.570 31.653 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -4.671 23.948 31.761 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -5.405 22.785 31.067 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -5.759 19.285 32.194 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -5.858 18.443 31.700 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -5.687 19.010 33.122 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -10.203 26.948 30.896 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -9.983 26.614 29.999 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -11.019 27.449 30.765 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -8.712 24.146 35.084 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -9.682 24.071 35.026 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -8.498 24.889 34.496 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -12.432 21.787 38.521 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -11.782 22.428 38.826 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -12.030 21.403 37.714 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -6.000 19.368 35.423 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -6.428 20.231 35.630 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -5.204 19.368 35.966 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -9.182 43.224 -13.940 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -8.592 42.587 -13.479 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -8.597 43.698 -14.535 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -10.510 38.158 -18.870 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -10.254 39.070 -19.040 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -9.730 37.772 -18.416 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -12.259 40.255 -12.634 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -11.647 39.539 -12.933 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -11.965 41.047 -13.131 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -3.680 39.836 -17.020 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 -3.713 40.247 -16.135 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -2.859 39.292 -17.001 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -9.662 40.126 -16.198 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -9.817 39.212 -15.867 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -10.527 40.546 -16.154 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -7.064 40.266 -15.287 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -7.305 40.666 -14.425 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -7.901 40.293 -15.803 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -0.767 35.423 -12.113 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -1.440 34.850 -11.695 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -0.312 35.835 -11.363 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -7.390 41.508 -12.852 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -6.517 41.863 -12.581 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -7.528 40.741 -12.250 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -2.040 33.268 -7.038 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -2.690 33.896 -7.414 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -1.592 32.887 -7.826 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 -4.504 40.519 -14.348 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 -5.378 40.540 -14.793 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 -4.480 39.636 -13.912 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -1.679 37.990 -16.844 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -1.523 37.541 -15.988 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -1.826 37.268 -17.466 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -4.281 37.322 -10.573 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -4.211 36.373 -10.865 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -4.895 37.288 -9.798 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -11.207 35.592 -19.588 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -10.299 35.254 -19.441 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -11.110 36.564 -19.521 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -5.827 38.137 -16.530 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -6.283 38.838 -16.014 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -5.061 38.601 -16.929 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 -8.217 37.207 -17.581 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 -7.325 37.567 -17.391 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 -8.712 37.339 -16.735 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -5.373 40.641 -19.046 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -4.780 40.416 -18.301 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -4.779 40.848 -19.764 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -4.648 38.077 -13.154 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -4.455 37.882 -12.210 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -4.318 37.301 -13.628 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -7.013 42.353 -9.868 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -6.711 41.622 -9.302 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -6.291 42.474 -10.504 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -0.775 36.083 -9.333 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -1.284 36.904 -9.503 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -1.389 35.359 -9.590 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -9.823 42.668 -10.136 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -8.877 42.591 -9.889 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -9.812 42.693 -11.098 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -4.806 41.995 -11.974 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -4.056 41.780 -11.391 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -4.552 41.614 -12.843 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -5.542 39.975 -9.261 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -6.005 39.842 -10.114 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -5.882 39.257 -8.698 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -3.730 35.182 -8.038 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -3.454 34.909 -8.935 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -4.517 35.754 -8.193 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -7.144 39.206 -11.371 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -7.484 38.688 -10.597 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -6.691 38.549 -11.917 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -2.101 38.537 -9.580 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -2.886 38.125 -10.011 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -2.168 39.482 -9.822 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 3.076 38.300 -4.841 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 2.219 38.115 -4.412 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 3.147 39.259 -4.825 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -3.287 35.641 -5.351 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -2.350 35.464 -5.135 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -3.370 35.381 -6.294 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -11.783 42.510 -14.161 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -10.850 42.824 -14.075 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -11.917 42.422 -15.129 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -14.397 38.858 -13.505 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -14.043 38.561 -14.364 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -13.692 39.439 -13.145 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -7.760 32.673 -18.019 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 -6.954 32.356 -18.485 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -7.458 32.838 -17.110 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -1.494 36.330 -14.613 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -1.010 36.169 -13.773 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -2.392 35.990 -14.435 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -7.170 33.790 -23.428 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -7.882 33.979 -22.773 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -7.544 34.074 -24.265 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 -5.700 35.457 -15.991 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 -5.022 35.432 -15.280 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 -5.784 36.415 -16.210 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 2.532 35.352 -7.398 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 2.399 35.179 -8.340 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 1.724 35.848 -7.128 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -9.657 40.001 -2.835 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -10.418 40.190 -3.421 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -9.003 39.600 -3.418 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -1.412 39.571 -2.603 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -2.154 38.940 -2.424 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -1.782 40.179 -3.282 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -10.584 41.407 1.838 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -9.661 41.579 2.054 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -10.623 41.506 0.858 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -6.572 34.018 7.877 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -6.190 34.597 8.541 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -7.348 34.517 7.539 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -7.689 37.336 0.672 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -8.152 37.927 1.279 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -8.400 36.991 0.089 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -4.224 32.639 0.371 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -3.591 33.167 -0.159 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -3.666 32.192 1.038 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 4.665 36.419 -6.044 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 4.208 37.164 -5.587 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 3.980 36.055 -6.645 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -5.703 35.486 -0.467 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -5.324 35.492 -1.372 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -6.161 36.341 -0.393 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -2.774 39.238 -6.976 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -2.638 38.938 -7.900 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -3.589 38.763 -6.687 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -4.891 37.834 -6.052 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -5.238 37.409 -6.875 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -4.460 37.100 -5.567 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -10.030 36.491 -0.452 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -10.752 37.098 -0.632 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -10.302 36.028 0.373 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 0.246 39.382 -0.447 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 -0.401 39.532 -1.173 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 0.414 40.262 -0.096 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -10.435 41.711 -0.862 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -10.408 42.479 -1.481 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -10.017 40.980 -1.377 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -2.793 40.732 -4.649 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -2.807 40.202 -5.472 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -3.722 40.923 -4.477 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 -7.279 39.307 -6.598 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 -7.532 38.864 -7.429 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 -6.494 38.818 -6.295 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -3.292 37.707 -2.189 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -2.863 37.295 -1.413 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -3.859 36.999 -2.550 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -12.194 42.196 -6.395 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -12.199 43.037 -5.888 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -11.987 41.515 -5.721 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 0.237 36.687 -6.893 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -0.160 36.458 -7.767 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 0.135 37.660 -6.831 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 0.437 38.000 -3.860 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 -0.176 38.541 -3.309 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 0.222 38.268 -4.781 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -4.421 35.303 -2.896 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -3.749 34.746 -2.452 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -4.134 35.322 -3.837 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -3.142 41.147 -9.697 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -4.001 40.698 -9.507 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -3.027 41.755 -8.960 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 -6.566 35.821 2.786 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 -7.357 36.153 3.265 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 -6.533 36.368 1.981 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -12.975 42.303 2.927 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -12.066 42.063 2.644 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -13.553 41.820 2.298 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -8.968 36.720 3.716 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -9.423 37.491 3.314 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -9.550 36.461 4.461 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -1.640 36.780 -0.220 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -1.456 37.463 0.437 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -0.774 36.626 -0.652 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 0.883 36.849 -1.369 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 0.921 37.690 -0.864 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 0.956 37.130 -2.300 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 2.528 32.250 -3.190 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 2.492 32.641 -4.083 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 3.311 31.658 -3.220 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 -0.205 39.319 -6.165 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 -0.041 40.262 -6.046 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 -1.146 39.275 -6.460 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 8.151 -9.737 28.624 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 8.911 -10.301 28.443 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 7.389 -10.353 28.611 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 7.345 -5.655 21.372 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 7.571 -4.728 21.610 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 8.189 -6.136 21.481 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 12.142 -1.763 21.150 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 13.088 -1.881 21.291 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 11.747 -2.576 21.488 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 6.142 -11.845 28.470 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 5.825 -12.755 28.281 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 5.426 -11.447 28.978 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 12.575 -3.042 24.596 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 12.824 -3.725 25.263 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 13.359 -2.485 24.527 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 5.178 -4.545 20.144 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 5.892 -5.112 20.516 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 5.447 -4.410 19.207 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 8.750 -4.587 29.428 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 8.735 -5.518 29.732 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 9.645 -4.476 29.042 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 2.885 -3.217 19.455 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 3.342 -4.024 19.766 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 3.615 -2.572 19.317 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 8.446 -3.284 22.187 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 8.667 -2.328 22.193 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 9.091 -3.682 22.805 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 10.095 -11.081 23.914 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 10.144 -11.735 24.613 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 10.902 -11.242 23.380 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 12.476 -11.849 22.739 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 13.314 -12.071 23.159 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 12.619 -12.044 21.806 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 13.228 -4.992 26.369 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 14.167 -5.025 26.678 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 13.020 -5.911 26.156 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 10.484 -1.252 24.780 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 10.126 -1.457 25.681 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 11.255 -1.847 24.692 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 10.338 -4.514 23.822 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 11.140 -4.015 24.075 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 9.939 -4.781 24.682 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 15.833 -5.372 27.085 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 16.671 -5.525 26.631 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 16.072 -5.342 28.019 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 6.622 0.109 25.397 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 7.547 0.445 25.401 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 6.138 0.760 24.843 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 9.739 -1.877 27.274 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 10.190 -2.709 27.517 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 9.246 -1.629 28.083 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 9.283 -0.674 22.401 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 10.031 -0.337 21.884 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 9.652 -0.799 23.305 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 7.522 -1.485 32.147 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 8.049 -1.253 32.919 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 6.659 -1.710 32.505 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 9.149 1.097 25.259 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 9.717 1.708 25.737 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 9.713 0.313 25.109 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 5.149 2.681 20.204 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 5.780 2.269 20.816 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 5.359 2.279 19.340 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 7.179 0.913 21.438 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 7.831 0.491 22.034 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 7.429 0.588 20.553 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 10.663 -0.057 19.591 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 11.311 0.558 19.230 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 11.205 -0.721 20.073 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 10.985 -4.275 27.799 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 11.889 -4.368 27.439 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 10.417 -4.723 27.138 1.00 0.00 WAT1 END