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: -1697.27, 83.9038, 105.034, 50.2475, 426.377, -293.549, -2070.12, 0.786531, 5.070314E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.424777E-03,0.500403,1.30415,42.6654,2.772133E-03,0.103295 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 13, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:40:57 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.750 2.557 -0.800 1.00 60.30 ATOM 2 CB MET 1 3.508 1.551 -1.515 1.00 74.40 ATOM 3 HB1 MET 1 3.162 1.430 -2.532 1.00 38.44 ATOM 4 HB2 MET 1 4.092 0.683 -1.240 1.00 2.42 ATOM 5 CG MET 1 4.416 2.773 -1.464 1.00 51.02 ATOM 6 HG1 MET 1 4.805 2.873 -0.460 1.00 38.44 ATOM 7 HG2 MET 1 3.834 3.650 -1.709 1.00 53.24 ATOM 8 SD MET 1 5.803 2.666 -2.613 1.00 43.21 ATOM 9 CE MET 1 6.655 4.201 -2.251 1.00 60.05 ATOM 10 HE1 MET 1 6.961 4.208 -1.216 1.00 44.43 ATOM 11 HE2 MET 1 5.993 5.034 -2.437 1.00 12.24 ATOM 12 HE3 MET 1 7.526 4.287 -2.884 1.00 0.33 ATOM 13 C MET 1 1.348 0.454 -0.814 1.00 30.32 ATOM 14 O MET 1 0.999 -0.262 0.125 1.00 4.34 ATOM 15 N MET 1 2.738 1.708 0.838 1.00 0.00 ATOM 16 HT1 MET 1 3.280 0.854 1.083 1.00 38.44 ATOM 17 HT2 MET 1 1.917 1.771 1.474 1.00 38.44 ATOM 18 HT3 MET 1 3.340 2.542 0.989 1.00 38.44 ATOM 19 CA MET 1 2.290 1.646 -0.581 1.00 52.33 ATOM 20 N GLY 2 0.910 0.265 -2.061 1.00 31.33 ATOM 21 HN GLY 2 1.171 0.900 -2.763 1.00 38.44 ATOM 22 CA GLY 2 0.044 -0.866 -2.398 1.00 2.44 ATOM 23 HA1 GLY 2 0.402 -1.744 -1.881 1.00 38.44 ATOM 24 HA2 GLY 2 0.111 -1.043 -3.463 1.00 52.43 ATOM 25 C GLY 2 -1.424 -0.640 -2.028 1.00 43.11 ATOM 26 O GLY 2 -2.322 -0.901 -2.831 1.00 42.24 ATOM 27 N HIS 3 -1.668 -0.169 -0.803 1.00 64.33 ATOM 28 HN HIS 3 -0.913 -0.012 -0.202 1.00 38.44 ATOM 29 CA HIS 3 -3.027 0.118 -0.328 1.00 20.34 ATOM 30 HA HIS 3 -3.567 -0.821 -0.302 1.00 51.11 ATOM 31 CB HIS 3 -2.969 0.693 1.092 1.00 53.01 ATOM 32 HB1 HIS 3 -3.973 0.876 1.445 1.00 38.44 ATOM 33 HB2 HIS 3 -2.417 1.623 1.082 1.00 22.23 ATOM 34 CG HIS 3 -2.301 -0.233 2.062 1.00 5.41 ATOM 35 ND1 HIS 3 -1.033 -0.020 2.559 1.00 23.24 ATOM 36 HD1 HIS 3 -0.458 0.751 2.359 1.00 53.30 ATOM 37 CD2 HIS 3 -2.726 -1.395 2.612 1.00 61.03 ATOM 38 HD2 HIS 3 -3.681 -1.872 2.447 1.00 15.53 ATOM 39 CE1 HIS 3 -0.706 -1.008 3.365 1.00 53.51 ATOM 40 HE1 HIS 3 0.230 -1.110 3.892 1.00 2.41 ATOM 41 NE2 HIS 3 -1.714 -1.856 3.417 1.00 13.42 ATOM 42 HE2 HIS 3 -1.674 -2.749 3.823 1.00 38.44 ATOM 43 C HIS 3 -3.758 1.075 -1.286 1.00 34.31 ATOM 44 O HIS 3 -3.359 2.225 -1.461 1.00 14.05 ATOM 45 N HIS 4 -4.851 0.585 -1.870 1.00 43.35 ATOM 46 HN HIS 4 -5.249 -0.233 -1.504 1.00 38.44 ATOM 47 CA HIS 4 -5.481 1.218 -3.039 1.00 43.40 ATOM 48 HA HIS 4 -4.743 1.208 -3.829 1.00 74.31 ATOM 49 CB HIS 4 -6.677 0.375 -3.506 1.00 14.13 ATOM 50 HB1 HIS 4 -7.218 0.916 -4.271 1.00 38.44 ATOM 51 HB2 HIS 4 -7.334 0.195 -2.669 1.00 51.14 ATOM 52 CG HIS 4 -6.280 -0.958 -4.076 1.00 60.02 ATOM 53 ND1 HIS 4 -6.891 -1.519 -5.176 1.00 72.42 ATOM 54 HD1 HIS 4 -7.632 -1.122 -5.686 1.00 43.53 ATOM 55 CD2 HIS 4 -5.327 -1.843 -3.695 1.00 22.51 ATOM 56 HD2 HIS 4 -4.647 -1.733 -2.861 1.00 34.32 ATOM 57 CE1 HIS 4 -6.336 -2.684 -5.444 1.00 74.12 ATOM 58 HE1 HIS 4 -6.612 -3.345 -6.255 1.00 44.00 ATOM 59 NE2 HIS 4 -5.384 -2.904 -4.562 1.00 53.04 ATOM 60 HE2 HIS 4 -4.675 -3.577 -4.666 1.00 38.44 ATOM 61 C HIS 4 -5.911 2.686 -2.825 1.00 40.33 ATOM 62 O HIS 4 -5.991 3.445 -3.793 1.00 73.33 ATOM 63 N HIS 5 -6.193 3.096 -1.585 1.00 41.02 ATOM 64 HN HIS 5 -6.122 2.465 -0.839 1.00 38.44 ATOM 65 CA HIS 5 -6.605 4.492 -1.332 1.00 50.33 ATOM 66 HA HIS 5 -6.240 5.078 -2.165 1.00 63.25 ATOM 67 CB HIS 5 -8.140 4.615 -1.315 1.00 0.35 ATOM 68 HB1 HIS 5 -8.519 4.369 -2.299 1.00 38.44 ATOM 69 HB2 HIS 5 -8.408 5.636 -1.085 1.00 65.11 ATOM 70 CG HIS 5 -8.835 3.731 -0.325 1.00 60.43 ATOM 71 ND1 HIS 5 -9.483 4.216 0.788 1.00 62.23 ATOM 72 HD1 HIS 5 -9.552 5.163 1.042 1.00 13.11 ATOM 73 CD2 HIS 5 -9.009 2.389 -0.299 1.00 34.51 ATOM 74 HD2 HIS 5 -8.633 1.678 -1.022 1.00 63.03 ATOM 75 CE1 HIS 5 -10.024 3.216 1.454 1.00 63.40 ATOM 76 HE1 HIS 5 -10.597 3.302 2.365 1.00 23.55 ATOM 77 NE2 HIS 5 -9.753 2.097 0.818 1.00 74.33 ATOM 78 HE2 HIS 5 -10.201 1.239 0.986 1.00 38.44 ATOM 79 C HIS 5 -5.983 5.096 -0.055 1.00 44.13 ATOM 80 O HIS 5 -6.396 6.168 0.383 1.00 3.13 ATOM 81 N HIS 6 -4.997 4.403 0.534 1.00 70.12 ATOM 82 HN HIS 6 -4.820 3.487 0.236 1.00 38.44 ATOM 83 CA HIS 6 -4.152 4.980 1.605 1.00 53.45 ATOM 84 HA HIS 6 -3.591 4.170 2.047 1.00 31.50 ATOM 85 CB HIS 6 -3.157 5.963 0.948 1.00 23.10 ATOM 86 HB1 HIS 6 -3.718 6.728 0.429 1.00 38.44 ATOM 87 HB2 HIS 6 -2.560 5.423 0.228 1.00 13.10 ATOM 88 CG HIS 6 -2.211 6.651 1.894 1.00 43.55 ATOM 89 ND1 HIS 6 -2.360 7.967 2.275 1.00 24.50 ATOM 90 HD1 HIS 6 -3.085 8.566 1.991 1.00 31.23 ATOM 91 CD2 HIS 6 -1.092 6.212 2.520 1.00 30.41 ATOM 92 HD2 HIS 6 -0.667 5.220 2.456 1.00 43.43 ATOM 93 CE1 HIS 6 -1.383 8.308 3.085 1.00 53.34 ATOM 94 HE1 HIS 6 -1.246 9.279 3.538 1.00 23.32 ATOM 95 NE2 HIS 6 -0.599 7.265 3.253 1.00 44.32 ATOM 96 HE2 HIS 6 0.290 7.299 3.666 1.00 38.44 ATOM 97 C HIS 6 -4.973 5.677 2.727 1.00 41.11 ATOM 98 O HIS 6 -4.498 6.609 3.377 1.00 63.04 ATOM 99 N HIS 7 -6.191 5.198 2.981 1.00 52.53 ATOM 100 HN HIS 7 -6.503 4.408 2.498 1.00 38.44 ATOM 101 CA HIS 7 -7.073 5.835 3.971 1.00 71.22 ATOM 102 HA HIS 7 -7.091 6.895 3.752 1.00 11.32 ATOM 103 CB HIS 7 -8.503 5.292 3.845 1.00 15.13 ATOM 104 HB1 HIS 7 -8.493 4.225 4.017 1.00 38.44 ATOM 105 HB2 HIS 7 -8.867 5.483 2.844 1.00 43.52 ATOM 106 CG HIS 7 -9.470 5.911 4.813 1.00 15.33 ATOM 107 ND1 HIS 7 -9.676 5.428 6.089 1.00 2.31 ATOM 108 HD1 HIS 7 -9.225 4.650 6.488 1.00 60.03 ATOM 109 CD2 HIS 7 -10.288 6.984 4.687 1.00 14.52 ATOM 110 HD2 HIS 7 -10.386 7.620 3.818 1.00 33.20 ATOM 111 CE1 HIS 7 -10.574 6.172 6.703 1.00 51.23 ATOM 112 HE1 HIS 7 -10.928 6.031 7.713 1.00 14.15 ATOM 113 NE2 HIS 7 -10.959 7.119 5.876 1.00 74.34 ATOM 114 HE2 HIS 7 -11.644 7.796 6.073 1.00 38.44 ATOM 115 C HIS 7 -6.565 5.648 5.415 1.00 52.24 ATOM 116 O HIS 7 -6.832 4.630 6.052 1.00 21.31 ATOM 117 N HIS 8 -5.826 6.637 5.915 1.00 1.32 ATOM 118 HN HIS 8 -5.563 7.375 5.323 1.00 38.44 ATOM 119 CA HIS 8 -5.381 6.657 7.315 1.00 34.33 ATOM 120 HA HIS 8 -6.052 6.032 7.888 1.00 61.02 ATOM 121 CB HIS 8 -3.950 6.105 7.442 1.00 15.41 ATOM 122 HB1 HIS 8 -3.284 6.701 6.834 1.00 38.44 ATOM 123 HB2 HIS 8 -3.932 5.085 7.088 1.00 1.34 ATOM 124 CG HIS 8 -3.423 6.111 8.849 1.00 4.41 ATOM 125 ND1 HIS 8 -2.522 7.048 9.313 1.00 23.15 ATOM 126 HD1 HIS 8 -2.133 7.781 8.791 1.00 53.20 ATOM 127 CD2 HIS 8 -3.679 5.293 9.899 1.00 55.54 ATOM 128 HD2 HIS 8 -4.342 4.439 9.901 1.00 34.23 ATOM 129 CE1 HIS 8 -2.252 6.808 10.579 1.00 30.32 ATOM 130 HE1 HIS 8 -1.584 7.384 11.202 1.00 31.34 ATOM 131 NE2 HIS 8 -2.938 5.752 10.959 1.00 53.00 ATOM 132 HE2 HIS 8 -3.026 5.448 11.891 1.00 38.44 ATOM 133 C HIS 8 -5.443 8.084 7.876 1.00 42.22 ATOM 134 O HIS 8 -5.311 9.057 7.131 1.00 13.15 ATOM 135 N SER 9 -5.663 8.207 9.183 1.00 75.22 ATOM 136 HN SER 9 -5.843 7.403 9.717 1.00 38.44 ATOM 137 CA SER 9 -5.668 9.520 9.842 1.00 74.14 ATOM 138 HA SER 9 -6.396 10.137 9.332 1.00 34.32 ATOM 139 CB SER 9 -6.083 9.388 11.315 1.00 61.41 ATOM 140 HB1 SER 9 -7.097 9.022 11.368 1.00 38.44 ATOM 141 HB2 SER 9 -6.027 10.356 11.792 1.00 4.34 ATOM 142 OG SER 9 -5.238 8.487 12.016 1.00 61.43 ATOM 143 HG SER 9 -4.410 8.935 12.242 1.00 51.14 ATOM 144 C SER 9 -4.296 10.202 9.736 1.00 61.53 ATOM 145 O SER 9 -3.407 9.986 10.562 1.00 22.23 ATOM 146 N HIS 10 -4.126 11.001 8.687 1.00 22.42 ATOM 147 HN HIS 10 -4.861 11.090 8.041 1.00 38.44 ATOM 148 CA HIS 10 -2.883 11.741 8.445 1.00 2.23 ATOM 149 HA HIS 10 -2.052 11.107 8.722 1.00 54.11 ATOM 150 CB HIS 10 -2.784 12.076 6.946 1.00 63.23 ATOM 151 HB1 HIS 10 -3.618 12.709 6.670 1.00 38.44 ATOM 152 HB2 HIS 10 -2.842 11.157 6.380 1.00 71.10 ATOM 153 CG HIS 10 -1.519 12.776 6.544 1.00 35.45 ATOM 154 ND1 HIS 10 -0.414 12.111 6.062 1.00 55.32 ATOM 155 HD1 HIS 10 -0.332 11.138 5.948 1.00 71.30 ATOM 156 CD2 HIS 10 -1.197 14.093 6.523 1.00 12.52 ATOM 157 HD2 HIS 10 -1.828 14.913 6.838 1.00 43.22 ATOM 158 CE1 HIS 10 0.528 12.983 5.766 1.00 35.21 ATOM 159 HE1 HIS 10 1.503 12.745 5.367 1.00 75.23 ATOM 160 NE2 HIS 10 0.081 14.190 6.033 1.00 50.05 ATOM 161 HE2 HIS 10 0.497 15.020 5.714 1.00 38.44 ATOM 162 C HIS 10 -2.835 13.026 9.290 1.00 60.14 ATOM 163 O HIS 10 -1.764 13.501 9.674 1.00 23.51 ATOM 164 N MET 11 -4.011 13.569 9.581 1.00 63.15 ATOM 165 HN MET 11 -4.824 13.100 9.300 1.00 38.44 ATOM 166 CA MET 11 -4.145 14.836 10.303 1.00 53.43 ATOM 167 HA MET 11 -3.157 15.258 10.420 1.00 30.15 ATOM 168 CB MET 11 -4.997 15.810 9.476 1.00 11.31 ATOM 169 HB1 MET 11 -4.415 16.141 8.627 1.00 38.44 ATOM 170 HB2 MET 11 -5.239 16.669 10.087 1.00 22.10 ATOM 171 CG MET 11 -6.304 15.211 8.951 1.00 53.03 ATOM 172 HG1 MET 11 -6.850 15.979 8.418 1.00 38.44 ATOM 173 HG2 MET 11 -6.894 14.872 9.791 1.00 0.41 ATOM 174 SD MET 11 -6.034 13.815 7.838 1.00 40.15 ATOM 175 CE MET 11 -7.703 13.477 7.277 1.00 54.20 ATOM 176 HE1 MET 11 -8.328 13.245 8.127 1.00 72.43 ATOM 177 HE2 MET 11 -7.692 12.637 6.597 1.00 55.00 ATOM 178 HE3 MET 11 -8.095 14.345 6.767 1.00 74.53 ATOM 179 C MET 11 -4.757 14.645 11.702 1.00 31.25 ATOM 180 O MET 11 -5.342 13.605 12.008 1.00 72.31 ATOM 181 N ALA 12 -4.635 15.675 12.539 1.00 51.42 ATOM 182 HN ALA 12 -4.191 16.489 12.224 1.00 38.44 ATOM 183 CA ALA 12 -5.122 15.626 13.927 1.00 23.25 ATOM 184 HA ALA 12 -4.950 14.627 14.304 1.00 25.20 ATOM 185 CB ALA 12 -4.307 16.591 14.780 1.00 53.32 ATOM 186 HB1 ALA 12 -3.256 16.357 14.684 1.00 71.54 ATOM 187 HB2 ALA 12 -4.604 16.496 15.815 1.00 50.13 ATOM 188 HB3 ALA 12 -4.481 17.604 14.447 1.00 52.04 ATOM 189 C ALA 12 -6.626 15.944 14.046 1.00 45.31 ATOM 190 O ALA 12 -7.088 16.378 15.103 1.00 32.52 ATOM 191 N LYS 13 -7.382 15.695 12.969 1.00 62.45 ATOM 192 HN LYS 13 -6.948 15.334 12.172 1.00 38.44 ATOM 193 CA LYS 13 -8.841 15.923 12.941 1.00 72.23 ATOM 194 HA LYS 13 -9.204 15.521 12.006 1.00 33.14 ATOM 195 CB LYS 13 -9.533 15.173 14.096 1.00 74.54 ATOM 196 HB1 LYS 13 -10.595 15.377 14.057 1.00 38.44 ATOM 197 HB2 LYS 13 -9.142 15.542 15.034 1.00 33.00 ATOM 198 CG LYS 13 -9.337 13.660 14.060 1.00 44.32 ATOM 199 HG1 LYS 13 -8.280 13.446 13.999 1.00 38.44 ATOM 200 HG2 LYS 13 -9.834 13.264 13.186 1.00 64.05 ATOM 201 CD LYS 13 -9.910 12.980 15.301 1.00 53.53 ATOM 202 HD1 LYS 13 -9.377 13.335 16.174 1.00 38.44 ATOM 203 HD2 LYS 13 -9.773 11.911 15.208 1.00 62.33 ATOM 204 CE LYS 13 -11.395 13.268 15.477 1.00 3.15 ATOM 205 HE1 LYS 13 -11.921 12.936 14.593 1.00 38.44 ATOM 206 HE2 LYS 13 -11.535 14.333 15.600 1.00 4.11 ATOM 207 NZ LYS 13 -11.954 12.569 16.662 1.00 22.43 ATOM 208 HZ1 LYS 13 -12.946 12.837 16.801 1.00 3.41 ATOM 209 HZ2 LYS 13 -11.416 12.818 17.515 1.00 72.12 ATOM 210 HZ3 LYS 13 -11.902 11.537 16.526 1.00 43.23 ATOM 211 C LYS 13 -9.205 17.423 12.997 1.00 63.31 ATOM 212 O LYS 13 -8.691 18.170 13.834 1.00 14.11 ATOM 213 N PRO 14 -10.111 17.890 12.108 1.00 43.23 ATOM 214 CA PRO 14 -10.561 19.287 12.097 1.00 1.40 ATOM 215 HA PRO 14 -9.724 19.968 12.180 1.00 24.40 ATOM 216 CB PRO 14 -11.227 19.459 10.711 1.00 22.35 ATOM 217 HB1 PRO 14 -10.762 20.282 10.186 1.00 38.44 ATOM 218 HB2 PRO 14 -12.282 19.665 10.835 1.00 51.24 ATOM 219 CG PRO 14 -11.011 18.163 9.987 1.00 51.22 ATOM 220 HG1 PRO 14 -10.152 18.249 9.333 1.00 38.44 ATOM 221 HG2 PRO 14 -11.892 17.911 9.413 1.00 72.53 ATOM 222 CD PRO 14 -10.761 17.117 11.043 1.00 44.11 ATOM 223 HD1 PRO 14 -10.106 16.344 10.667 1.00 38.44 ATOM 224 HD2 PRO 14 -11.695 16.692 11.387 1.00 34.22 ATOM 225 C PRO 14 -11.563 19.590 13.224 1.00 51.43 ATOM 226 O PRO 14 -12.779 19.489 13.043 1.00 14.13 ATOM 227 N THR 15 -11.048 19.927 14.401 1.00 1.05 ATOM 228 HN THR 15 -10.073 19.909 14.519 1.00 38.44 ATOM 229 CA THR 15 -11.905 20.300 15.531 1.00 65.01 ATOM 230 HA THR 15 -12.754 19.628 15.538 1.00 64.45 ATOM 231 CB THR 15 -11.166 20.161 16.888 1.00 14.44 ATOM 232 HB THR 15 -10.340 20.857 16.904 1.00 63.22 ATOM 233 OG1 THR 15 -10.656 18.826 17.032 1.00 21.15 ATOM 234 HG1 THR 15 -9.703 18.861 17.200 1.00 25.31 ATOM 235 CG2 THR 15 -12.092 20.473 18.063 1.00 20.10 ATOM 236 HG21 THR 15 -12.918 19.776 18.067 1.00 24.25 ATOM 237 HG22 THR 15 -12.470 21.481 17.970 1.00 22.45 ATOM 238 HG23 THR 15 -11.542 20.381 18.989 1.00 21.41 ATOM 239 C THR 15 -12.417 21.738 15.368 1.00 72.41 ATOM 240 O THR 15 -11.810 22.691 15.857 1.00 42.24 ATOM 241 N ALA 16 -13.518 21.892 14.636 1.00 5.34 ATOM 242 HN ALA 16 -13.942 21.099 14.243 1.00 38.44 ATOM 243 CA ALA 16 -14.104 23.212 14.385 1.00 24.24 ATOM 244 HA ALA 16 -13.308 23.945 14.432 1.00 45.33 ATOM 245 CB ALA 16 -14.698 23.260 12.985 1.00 10.33 ATOM 246 HB1 ALA 16 -15.521 22.563 12.919 1.00 13.14 ATOM 247 HB2 ALA 16 -13.941 22.989 12.262 1.00 41.53 ATOM 248 HB3 ALA 16 -15.052 24.258 12.775 1.00 34.13 ATOM 249 C ALA 16 -15.171 23.572 15.428 1.00 72.54 ATOM 250 O ALA 16 -16.237 22.958 15.479 1.00 62.20 ATOM 251 N ARG 17 -14.875 24.568 16.258 1.00 40.13 ATOM 252 HN ARG 17 -14.007 25.014 16.173 1.00 38.44 ATOM 253 CA ARG 17 -15.809 25.029 17.291 1.00 33.14 ATOM 254 HA ARG 17 -16.624 24.320 17.351 1.00 72.40 ATOM 255 CB ARG 17 -15.092 25.081 18.648 1.00 61.30 ATOM 256 HB1 ARG 17 -15.802 25.377 19.409 1.00 38.44 ATOM 257 HB2 ARG 17 -14.304 25.820 18.598 1.00 25.22 ATOM 258 CG ARG 17 -14.471 23.749 19.064 1.00 4.15 ATOM 259 HG1 ARG 17 -13.930 23.889 19.989 1.00 38.44 ATOM 260 HG2 ARG 17 -13.786 23.426 18.292 1.00 23.34 ATOM 261 CD ARG 17 -15.527 22.667 19.267 1.00 23.12 ATOM 262 HD1 ARG 17 -15.028 21.715 19.392 1.00 38.44 ATOM 263 HD2 ARG 17 -16.159 22.626 18.390 1.00 40.40 ATOM 264 NE ARG 17 -16.356 22.924 20.445 1.00 74.32 ATOM 265 HE ARG 17 -15.910 23.277 21.241 1.00 30.42 ATOM 266 CZ ARG 17 -17.638 22.682 20.516 1.00 63.43 ATOM 267 NH1 ARG 17 -18.296 22.286 19.474 1.00 24.14 ATOM 268 HH11 ARG 17 -17.829 22.167 18.601 1.00 64.32 ATOM 269 HH12 ARG 17 -19.278 22.113 19.542 1.00 51.53 ATOM 270 NH2 ARG 17 -18.264 22.861 21.632 1.00 74.00 ATOM 271 HH21 ARG 17 -17.768 23.189 22.436 1.00 50.34 ATOM 272 HH22 ARG 17 -19.240 22.665 21.692 1.00 63.43 ATOM 273 C ARG 17 -16.375 26.411 16.930 1.00 53.01 ATOM 274 O ARG 17 -15.635 27.396 16.865 1.00 71.42 ATOM 275 N GLY 18 -17.680 26.482 16.684 1.00 25.12 ATOM 276 HN GLY 18 -18.233 25.676 16.777 1.00 38.44 ATOM 277 CA GLY 18 -18.299 27.746 16.290 1.00 31.35 ATOM 278 HA1 GLY 18 -18.076 27.930 15.248 1.00 38.44 ATOM 279 HA2 GLY 18 -17.869 28.543 16.881 1.00 20.34 ATOM 280 C GLY 18 -19.814 27.764 16.478 1.00 3.12 ATOM 281 O GLY 18 -20.405 26.786 16.939 1.00 12.42 ATOM 282 N GLU 19 -20.443 28.882 16.120 1.00 2.43 ATOM 283 HN GLU 19 -19.916 29.631 15.762 1.00 38.44 ATOM 284 CA GLU 19 -21.898 29.035 16.255 1.00 64.01 ATOM 285 HA GLU 19 -22.345 28.055 16.156 1.00 24.12 ATOM 286 CB GLU 19 -22.236 29.599 17.648 1.00 4.54 ATOM 287 HB1 GLU 19 -21.859 28.918 18.398 1.00 38.44 ATOM 288 HB2 GLU 19 -23.311 29.665 17.747 1.00 42.50 ATOM 289 CG GLU 19 -21.643 30.981 17.918 1.00 24.24 ATOM 290 HG1 GLU 19 -22.133 31.699 17.275 1.00 38.44 ATOM 291 HG2 GLU 19 -20.589 30.955 17.680 1.00 34.12 ATOM 292 CD GLU 19 -21.800 31.442 19.361 1.00 21.13 ATOM 293 OE1 GLU 19 -22.701 30.940 20.069 1.00 41.03 ATOM 294 OE2 GLU 19 -21.025 32.321 19.793 1.00 4.02 ATOM 295 C GLU 19 -22.469 29.950 15.155 1.00 31.41 ATOM 296 O GLU 19 -21.911 31.008 14.863 1.00 54.32 ATOM 297 N ALA 20 -23.578 29.533 14.539 1.00 51.34 ATOM 298 HN ALA 20 -23.960 28.663 14.782 1.00 38.44 ATOM 299 CA ALA 20 -24.233 30.341 13.498 1.00 3.43 ATOM 300 HA ALA 20 -24.198 31.376 13.813 1.00 51.51 ATOM 301 CB ALA 20 -23.475 30.224 12.177 1.00 4.41 ATOM 302 HB1 ALA 20 -22.442 30.504 12.328 1.00 34.51 ATOM 303 HB2 ALA 20 -23.921 30.883 11.447 1.00 53.33 ATOM 304 HB3 ALA 20 -23.525 29.205 11.818 1.00 10.20 ATOM 305 C ALA 20 -25.704 29.940 13.297 1.00 64.54 ATOM 306 O ALA 20 -26.093 28.802 13.572 1.00 31.32 ATOM 307 N GLY 21 -26.512 30.879 12.801 1.00 30.42 ATOM 308 HN GLY 21 -26.144 31.770 12.608 1.00 38.44 ATOM 309 CA GLY 21 -27.931 30.615 12.559 1.00 22.15 ATOM 310 HA1 GLY 21 -28.516 31.263 13.197 1.00 38.44 ATOM 311 HA2 GLY 21 -28.148 29.590 12.820 1.00 32.14 ATOM 312 C GLY 21 -28.356 30.845 11.110 1.00 50.34 ATOM 313 O GLY 21 -29.541 30.761 10.782 1.00 70.11 ATOM 314 N SER 22 -27.387 31.130 10.241 1.00 72.41 ATOM 315 HN SER 22 -26.467 31.183 10.563 1.00 38.44 ATOM 316 CA SER 22 -27.656 31.368 8.812 1.00 4.44 ATOM 317 HA SER 22 -28.704 31.618 8.708 1.00 72.52 ATOM 318 CB SER 22 -26.812 32.547 8.312 1.00 32.34 ATOM 319 HB1 SER 22 -27.016 32.717 7.266 1.00 38.44 ATOM 320 HB2 SER 22 -25.763 32.315 8.439 1.00 72.32 ATOM 321 OG SER 22 -27.103 33.737 9.032 1.00 54.21 ATOM 322 HG SER 22 -26.455 34.412 8.805 1.00 41.42 ATOM 323 C SER 22 -27.363 30.110 7.973 1.00 72.11 ATOM 324 O SER 22 -26.501 29.310 8.331 1.00 74.03 ATOM 325 N ARG 23 -28.058 29.959 6.838 1.00 11.14 ATOM 326 HN ARG 23 -28.600 30.705 6.519 1.00 38.44 ATOM 327 CA ARG 23 -28.011 28.709 6.046 1.00 32.23 ATOM 328 HA ARG 23 -28.386 27.910 6.670 1.00 34.14 ATOM 329 CB ARG 23 -28.886 28.800 4.775 1.00 0.24 ATOM 330 HB1 ARG 23 -29.025 27.800 4.386 1.00 38.44 ATOM 331 HB2 ARG 23 -28.351 29.378 4.037 1.00 42.32 ATOM 332 CG ARG 23 -30.269 29.436 4.946 1.00 45.33 ATOM 333 HG1 ARG 23 -30.682 29.134 5.900 1.00 38.44 ATOM 334 HG2 ARG 23 -30.914 29.087 4.151 1.00 33.23 ATOM 335 CD ARG 23 -30.206 30.963 4.892 1.00 1.33 ATOM 336 HD1 ARG 23 -29.847 31.331 5.842 1.00 38.44 ATOM 337 HD2 ARG 23 -31.202 31.346 4.715 1.00 10.11 ATOM 338 NE ARG 23 -29.310 31.438 3.832 1.00 54.20 ATOM 339 HE ARG 23 -28.389 31.105 3.837 1.00 40.30 ATOM 340 CZ ARG 23 -29.638 32.291 2.900 1.00 75.12 ATOM 341 NH1 ARG 23 -30.847 32.744 2.803 1.00 35.55 ATOM 342 HH11 ARG 23 -31.547 32.440 3.445 1.00 20.31 ATOM 343 HH12 ARG 23 -31.076 33.401 2.083 1.00 44.22 ATOM 344 NH2 ARG 23 -28.744 32.677 2.045 1.00 21.13 ATOM 345 HH21 ARG 23 -27.810 32.318 2.103 1.00 52.21 ATOM 346 HH22 ARG 23 -28.985 33.337 1.333 1.00 21.22 ATOM 347 C ARG 23 -26.578 28.357 5.601 1.00 4.20 ATOM 348 O ARG 23 -26.015 27.334 5.999 1.00 53.53 ATOM 349 N ASP 24 -25.999 29.231 4.778 1.00 63.22 ATOM 350 HN ASP 24 -26.468 30.066 4.573 1.00 38.44 ATOM 351 CA ASP 24 -24.685 28.997 4.174 1.00 52.42 ATOM 352 HA ASP 24 -24.751 28.099 3.576 1.00 14.11 ATOM 353 CB ASP 24 -24.336 30.178 3.259 1.00 33.42 ATOM 354 HB1 ASP 24 -23.448 29.938 2.689 1.00 38.44 ATOM 355 HB2 ASP 24 -24.142 31.053 3.865 1.00 32.41 ATOM 356 CG ASP 24 -25.465 30.502 2.287 1.00 2.02 ATOM 357 OD1 ASP 24 -26.400 31.235 2.674 1.00 23.04 ATOM 358 OD2 ASP 24 -25.431 30.023 1.135 1.00 34.22 ATOM 359 C ASP 24 -23.601 28.800 5.245 1.00 22.11 ATOM 360 O ASP 24 -22.680 27.995 5.082 1.00 63.54 ATOM 361 N GLU 25 -23.731 29.539 6.342 1.00 3.22 ATOM 362 HN GLU 25 -24.461 30.195 6.383 1.00 38.44 ATOM 363 CA GLU 25 -22.819 29.429 7.481 1.00 23.24 ATOM 364 HA GLU 25 -21.809 29.471 7.099 1.00 12.41 ATOM 365 CB GLU 25 -23.037 30.611 8.441 1.00 53.12 ATOM 366 HB1 GLU 25 -22.532 30.395 9.374 1.00 38.44 ATOM 367 HB2 GLU 25 -24.096 30.708 8.638 1.00 51.33 ATOM 368 CG GLU 25 -22.521 31.958 7.926 1.00 3.04 ATOM 369 HG1 GLU 25 -21.445 31.896 7.840 1.00 38.44 ATOM 370 HG2 GLU 25 -22.773 32.719 8.649 1.00 22.53 ATOM 371 CD GLU 25 -23.095 32.374 6.571 1.00 54.42 ATOM 372 OE1 GLU 25 -24.329 32.284 6.381 1.00 72.42 ATOM 373 OE2 GLU 25 -22.312 32.806 5.694 1.00 33.23 ATOM 374 C GLU 25 -23.007 28.098 8.233 1.00 42.24 ATOM 375 O GLU 25 -22.044 27.517 8.741 1.00 24.24 ATOM 376 N ARG 26 -24.249 27.616 8.299 1.00 2.52 ATOM 377 HN ARG 26 -24.980 28.125 7.884 1.00 38.44 ATOM 378 CA ARG 26 -24.553 26.343 8.972 1.00 21.34 ATOM 379 HA ARG 26 -24.144 26.404 9.971 1.00 1.22 ATOM 380 CB ARG 26 -26.072 26.131 9.082 1.00 50.02 ATOM 381 HB1 ARG 26 -26.267 25.081 9.261 1.00 38.44 ATOM 382 HB2 ARG 26 -26.531 26.415 8.146 1.00 52.41 ATOM 383 CG ARG 26 -26.726 26.937 10.203 1.00 44.41 ATOM 384 HG1 ARG 26 -26.536 27.989 10.035 1.00 38.44 ATOM 385 HG2 ARG 26 -26.290 26.640 11.147 1.00 51.04 ATOM 386 CD ARG 26 -28.233 26.708 10.266 1.00 53.33 ATOM 387 HD1 ARG 26 -28.423 25.643 10.297 1.00 38.44 ATOM 388 HD2 ARG 26 -28.686 27.128 9.379 1.00 11.51 ATOM 389 NE ARG 26 -28.836 27.332 11.447 1.00 41.21 ATOM 390 HE ARG 26 -28.238 27.771 12.080 1.00 4.33 ATOM 391 CZ ARG 26 -30.116 27.315 11.716 1.00 63.20 ATOM 392 NH1 ARG 26 -30.954 26.775 10.894 1.00 45.43 ATOM 393 HH11 ARG 26 -30.629 26.367 10.042 1.00 21.25 ATOM 394 HH12 ARG 26 -31.927 26.768 11.113 1.00 52.43 ATOM 395 NH2 ARG 26 -30.555 27.852 12.808 1.00 75.40 ATOM 396 HH21 ARG 26 -29.918 28.281 13.446 1.00 61.31 ATOM 397 HH22 ARG 26 -31.530 27.829 13.019 1.00 2.14 ATOM 398 C ARG 26 -23.896 25.146 8.267 1.00 2.40 ATOM 399 O ARG 26 -23.651 24.112 8.888 1.00 63.23 ATOM 400 N ARG 27 -23.619 25.284 6.973 1.00 24.04 ATOM 401 HN ARG 27 -23.927 26.088 6.502 1.00 38.44 ATOM 402 CA ARG 27 -22.874 24.253 6.235 1.00 63.23 ATOM 403 HA ARG 27 -23.441 23.334 6.282 1.00 62.43 ATOM 404 CB ARG 27 -22.699 24.660 4.766 1.00 2.11 ATOM 405 HB1 ARG 27 -22.050 23.945 4.282 1.00 38.44 ATOM 406 HB2 ARG 27 -22.228 25.634 4.731 1.00 62.11 ATOM 407 CG ARG 27 -24.000 24.734 3.975 1.00 13.23 ATOM 408 HG1 ARG 27 -24.653 25.460 4.438 1.00 38.44 ATOM 409 HG2 ARG 27 -24.472 23.763 3.986 1.00 4.03 ATOM 410 CD ARG 27 -23.744 25.148 2.529 1.00 51.21 ATOM 411 HD1 ARG 27 -23.058 24.441 2.084 1.00 38.44 ATOM 412 HD2 ARG 27 -23.296 26.131 2.523 1.00 13.04 ATOM 413 NE ARG 27 -24.970 25.178 1.734 1.00 53.52 ATOM 414 HE ARG 27 -25.426 24.326 1.574 1.00 43.33 ATOM 415 CZ ARG 27 -25.485 26.263 1.225 1.00 50.31 ATOM 416 NH1 ARG 27 -24.903 27.405 1.397 1.00 50.21 ATOM 417 HH11 ARG 27 -24.057 27.454 1.914 1.00 73.34 ATOM 418 HH12 ARG 27 -25.310 28.236 1.025 1.00 35.31 ATOM 419 NH2 ARG 27 -26.574 26.199 0.534 1.00 74.44 ATOM 420 HH21 ARG 27 -27.017 25.318 0.387 1.00 10.32 ATOM 421 HH22 ARG 27 -26.974 27.028 0.153 1.00 54.40 ATOM 422 C ARG 27 -21.492 24.017 6.866 1.00 1.25 ATOM 423 O ARG 27 -21.060 22.876 7.048 1.00 3.22 ATOM 424 N ALA 28 -20.817 25.111 7.213 1.00 63.52 ATOM 425 HN ALA 28 -21.242 25.988 7.090 1.00 38.44 ATOM 426 CA ALA 28 -19.467 25.053 7.778 1.00 63.42 ATOM 427 HA ALA 28 -18.835 24.535 7.068 1.00 54.40 ATOM 428 CB ALA 28 -18.917 26.464 7.951 1.00 2.30 ATOM 429 HB1 ALA 28 -17.909 26.414 8.340 1.00 33.31 ATOM 430 HB2 ALA 28 -19.542 27.014 8.639 1.00 64.32 ATOM 431 HB3 ALA 28 -18.907 26.967 6.995 1.00 62.14 ATOM 432 C ALA 28 -19.434 24.296 9.113 1.00 54.13 ATOM 433 O ALA 28 -18.714 23.310 9.260 1.00 72.55 ATOM 434 N LEU 29 -20.223 24.755 10.080 1.00 31.42 ATOM 435 HN LEU 29 -20.791 25.534 9.899 1.00 38.44 ATOM 436 CA LEU 29 -20.262 24.129 11.412 1.00 63.15 ATOM 437 HA LEU 29 -19.244 24.097 11.775 1.00 51.43 ATOM 438 CB LEU 29 -21.093 24.994 12.384 1.00 32.11 ATOM 439 HB1 LEU 29 -20.558 25.920 12.541 1.00 38.44 ATOM 440 HB2 LEU 29 -21.151 24.474 13.332 1.00 24.11 ATOM 441 CG LEU 29 -22.530 25.340 11.932 1.00 75.33 ATOM 442 HG LEU 29 -22.535 25.455 10.858 1.00 61.30 ATOM 443 CD1 LEU 29 -23.516 24.222 12.274 1.00 12.22 ATOM 444 HD11 LEU 29 -23.540 24.071 13.344 1.00 35.51 ATOM 445 HD12 LEU 29 -23.206 23.308 11.791 1.00 72.31 ATOM 446 HD13 LEU 29 -24.504 24.492 11.927 1.00 65.44 ATOM 447 CD2 LEU 29 -22.981 26.668 12.538 1.00 54.15 ATOM 448 HD21 LEU 29 -22.330 27.460 12.190 1.00 60.02 ATOM 449 HD22 LEU 29 -22.934 26.612 13.615 1.00 34.53 ATOM 450 HD23 LEU 29 -23.996 26.882 12.233 1.00 13.01 ATOM 451 C LEU 29 -20.787 22.679 11.353 1.00 64.32 ATOM 452 O LEU 29 -20.416 21.842 12.178 1.00 74.44 ATOM 453 N ALA 30 -21.637 22.382 10.366 1.00 12.42 ATOM 454 HN ALA 30 -21.921 23.094 9.754 1.00 38.44 ATOM 455 CA ALA 30 -22.170 21.022 10.182 1.00 62.21 ATOM 456 HA ALA 30 -22.579 20.697 11.128 1.00 33.34 ATOM 457 CB ALA 30 -23.298 21.030 9.155 1.00 4.32 ATOM 458 HB1 ALA 30 -24.088 21.684 9.495 1.00 41.21 ATOM 459 HB2 ALA 30 -23.686 20.030 9.033 1.00 4.25 ATOM 460 HB3 ALA 30 -22.921 21.386 8.206 1.00 64.32 ATOM 461 C ALA 30 -21.069 20.035 9.757 1.00 3.20 ATOM 462 O ALA 30 -20.935 18.951 10.332 1.00 61.30 ATOM 463 N MET 31 -20.282 20.419 8.750 1.00 42.01 ATOM 464 HN MET 31 -20.450 21.286 8.321 1.00 38.44 ATOM 465 CA MET 31 -19.172 19.583 8.261 1.00 21.41 ATOM 466 HA MET 31 -19.418 18.549 8.469 1.00 33.12 ATOM 467 CB MET 31 -19.009 19.757 6.744 1.00 34.33 ATOM 468 HB1 MET 31 -18.117 19.233 6.426 1.00 38.44 ATOM 469 HB2 MET 31 -18.894 20.809 6.525 1.00 4.25 ATOM 470 CG MET 31 -20.186 19.227 5.936 1.00 70.11 ATOM 471 HG1 MET 31 -20.019 19.450 4.890 1.00 38.44 ATOM 472 HG2 MET 31 -21.088 19.722 6.267 1.00 22.34 ATOM 473 SD MET 31 -20.401 17.443 6.121 1.00 44.52 ATOM 474 CE MET 31 -18.875 16.838 5.398 1.00 73.44 ATOM 475 HE1 MET 31 -18.031 17.289 5.899 1.00 3.25 ATOM 476 HE2 MET 31 -18.848 17.091 4.348 1.00 12.03 ATOM 477 HE3 MET 31 -18.827 15.766 5.512 1.00 21.53 ATOM 478 C MET 31 -17.852 19.923 8.973 1.00 70.11 ATOM 479 O MET 31 -16.789 19.425 8.600 1.00 11.01 ATOM 480 N LYS 32 -17.940 20.774 9.995 1.00 22.05 ATOM 481 HN LYS 32 -18.818 21.148 10.214 1.00 38.44 ATOM 482 CA LYS 32 -16.779 21.188 10.796 1.00 11.20 ATOM 483 HA LYS 32 -17.140 21.925 11.504 1.00 1.45 ATOM 484 CB LYS 32 -16.208 20.001 11.593 1.00 70.41 ATOM 485 HB1 LYS 32 -15.323 20.326 12.124 1.00 38.44 ATOM 486 HB2 LYS 32 -15.935 19.215 10.902 1.00 13.00 ATOM 487 CG LYS 32 -17.194 19.430 12.609 1.00 43.43 ATOM 488 HG1 LYS 32 -18.058 19.049 12.079 1.00 38.44 ATOM 489 HG2 LYS 32 -17.503 20.222 13.277 1.00 12.53 ATOM 490 CD LYS 32 -16.580 18.302 13.434 1.00 62.24 ATOM 491 HD1 LYS 32 -15.731 18.691 13.980 1.00 38.44 ATOM 492 HD2 LYS 32 -16.251 17.517 12.766 1.00 74.01 ATOM 493 CE LYS 32 -17.578 17.712 14.427 1.00 35.11 ATOM 494 HE1 LYS 32 -17.098 16.901 14.956 1.00 38.44 ATOM 495 HE2 LYS 32 -18.428 17.326 13.880 1.00 11.35 ATOM 496 NZ LYS 32 -18.057 18.719 15.417 1.00 64.40 ATOM 497 HZ1 LYS 32 -18.797 18.303 16.018 1.00 1.34 ATOM 498 HZ2 LYS 32 -18.453 19.548 14.929 1.00 2.22 ATOM 499 HZ3 LYS 32 -17.272 19.029 16.025 1.00 54.15 ATOM 500 C LYS 32 -15.685 21.862 9.943 1.00 1.52 ATOM 501 O LYS 32 -14.624 21.289 9.684 1.00 44.22 ATOM 502 N ILE 33 -15.972 23.083 9.500 1.00 20.51 ATOM 503 HN ILE 33 -16.869 23.441 9.663 1.00 38.44 ATOM 504 CA ILE 33 -15.007 23.910 8.768 1.00 65.15 ATOM 505 HA ILE 33 -14.213 23.269 8.408 1.00 44.32 ATOM 506 CB ILE 33 -15.677 24.598 7.548 1.00 41.10 ATOM 507 HB ILE 33 -16.468 25.234 7.920 1.00 11.44 ATOM 508 CG1 ILE 33 -16.289 23.550 6.600 1.00 11.33 ATOM 509 HG11 ILE 33 -16.754 24.057 5.765 1.00 38.44 ATOM 510 HG12 ILE 33 -17.042 22.989 7.133 1.00 31.14 ATOM 511 CG2 ILE 33 -14.683 25.487 6.802 1.00 53.23 ATOM 512 HG21 ILE 33 -13.852 24.890 6.453 1.00 11.43 ATOM 513 HG22 ILE 33 -14.318 26.260 7.465 1.00 1.42 ATOM 514 HG23 ILE 33 -15.175 25.946 5.956 1.00 71.33 ATOM 515 CD1 ILE 33 -15.290 22.558 6.039 1.00 5.11 ATOM 516 HD11 ILE 33 -14.516 23.088 5.503 1.00 54.21 ATOM 517 HD12 ILE 33 -15.796 21.883 5.365 1.00 51.31 ATOM 518 HD13 ILE 33 -14.848 21.995 6.848 1.00 71.52 ATOM 519 C ILE 33 -14.408 24.982 9.701 1.00 65.31 ATOM 520 O ILE 33 -15.102 25.908 10.121 1.00 42.03 ATOM 521 N PRO 34 -13.107 24.872 10.036 1.00 42.32 ATOM 522 CA PRO 34 -12.467 25.735 11.047 1.00 22.32 ATOM 523 HA PRO 34 -13.098 25.843 11.918 1.00 1.31 ATOM 524 CB PRO 34 -11.223 24.922 11.429 1.00 11.35 ATOM 525 HB1 PRO 34 -11.467 24.239 12.232 1.00 38.44 ATOM 526 HB2 PRO 34 -10.430 25.586 11.747 1.00 14.40 ATOM 527 CG PRO 34 -10.860 24.185 10.183 1.00 55.51 ATOM 528 HG1 PRO 34 -10.348 23.267 10.435 1.00 38.44 ATOM 529 HG2 PRO 34 -10.229 24.806 9.561 1.00 33.51 ATOM 530 CD PRO 34 -12.160 23.885 9.475 1.00 13.10 ATOM 531 HD1 PRO 34 -12.483 22.876 9.694 1.00 38.44 ATOM 532 HD2 PRO 34 -12.050 24.020 8.409 1.00 40.41 ATOM 533 C PRO 34 -12.064 27.141 10.547 1.00 3.24 ATOM 534 O PRO 34 -11.165 27.766 11.115 1.00 60.21 ATOM 535 N PHE 35 -12.737 27.656 9.517 1.00 72.21 ATOM 536 HN PHE 35 -13.440 27.123 9.088 1.00 38.44 ATOM 537 CA PHE 35 -12.461 29.016 9.020 1.00 33.12 ATOM 538 HA PHE 35 -12.107 29.593 9.865 1.00 3.14 ATOM 539 CB PHE 35 -11.348 29.000 7.953 1.00 71.42 ATOM 540 HB1 PHE 35 -10.411 28.758 8.438 1.00 38.44 ATOM 541 HB2 PHE 35 -11.265 29.985 7.517 1.00 43.54 ATOM 542 CG PHE 35 -11.552 28.017 6.829 1.00 60.54 ATOM 543 CD1 PHE 35 -11.000 26.746 6.902 1.00 32.20 ATOM 544 HD1 PHE 35 -10.437 26.461 7.780 1.00 41.54 ATOM 545 CD2 PHE 35 -12.272 28.366 5.692 1.00 53.22 ATOM 546 HD2 PHE 35 -12.710 29.352 5.620 1.00 62.30 ATOM 547 CE1 PHE 35 -11.162 25.845 5.870 1.00 44.31 ATOM 548 HE1 PHE 35 -10.725 24.860 5.943 1.00 54.02 ATOM 549 CE2 PHE 35 -12.438 27.462 4.658 1.00 35.52 ATOM 550 HE2 PHE 35 -13.000 27.743 3.781 1.00 43.21 ATOM 551 CZ PHE 35 -11.881 26.201 4.747 1.00 60.23 ATOM 552 HZ PHE 35 -12.007 25.495 3.940 1.00 24.12 ATOM 553 C PHE 35 -13.735 29.705 8.492 1.00 73.45 ATOM 554 O PHE 35 -14.637 29.049 7.966 1.00 3.51 ATOM 555 N PRO 36 -13.817 31.049 8.633 1.00 33.04 ATOM 556 CA PRO 36 -15.029 31.832 8.293 1.00 13.32 ATOM 557 HA PRO 36 -15.870 31.518 8.896 1.00 12.22 ATOM 558 CB PRO 36 -14.642 33.269 8.681 1.00 53.01 ATOM 559 HB1 PRO 36 -15.034 33.498 9.662 1.00 38.44 ATOM 560 HB2 PRO 36 -15.045 33.967 7.960 1.00 64.34 ATOM 561 CG PRO 36 -13.153 33.281 8.678 1.00 11.51 ATOM 562 HG1 PRO 36 -12.788 34.038 9.358 1.00 38.44 ATOM 563 HG2 PRO 36 -12.787 33.466 7.678 1.00 31.53 ATOM 564 CD PRO 36 -12.738 31.917 9.143 1.00 75.54 ATOM 565 HD1 PRO 36 -12.692 31.878 10.223 1.00 38.44 ATOM 566 HD2 PRO 36 -11.783 31.645 8.712 1.00 4.02 ATOM 567 C PRO 36 -15.436 31.775 6.804 1.00 73.02 ATOM 568 O PRO 36 -14.595 31.850 5.906 1.00 24.04 ATOM 569 N THR 37 -16.749 31.685 6.564 1.00 21.31 ATOM 570 HN THR 37 -17.364 31.670 7.327 1.00 38.44 ATOM 571 CA THR 37 -17.316 31.601 5.204 1.00 65.33 ATOM 572 HA THR 37 -16.844 30.772 4.697 1.00 71.51 ATOM 573 CB THR 37 -18.838 31.333 5.255 1.00 21.22 ATOM 574 HB THR 37 -19.227 31.336 4.245 1.00 3.12 ATOM 575 OG1 THR 37 -19.487 32.371 6.007 1.00 43.41 ATOM 576 HG1 THR 37 -20.434 32.371 5.801 1.00 35.25 ATOM 577 CG2 THR 37 -19.141 29.979 5.891 1.00 24.54 ATOM 578 HG21 THR 37 -20.209 29.812 5.894 1.00 3.20 ATOM 579 HG22 THR 37 -18.773 29.966 6.907 1.00 4.55 ATOM 580 HG23 THR 37 -18.658 29.196 5.324 1.00 31.31 ATOM 581 C THR 37 -17.084 32.883 4.386 1.00 25.44 ATOM 582 O THR 37 -16.787 32.827 3.193 1.00 24.10 ATOM 583 N ASP 38 -17.230 34.034 5.037 1.00 71.15 ATOM 584 HN ASP 38 -17.456 34.012 5.990 1.00 38.44 ATOM 585 CA ASP 38 -17.065 35.338 4.379 1.00 21.21 ATOM 586 HA ASP 38 -17.843 35.431 3.636 1.00 73.40 ATOM 587 CB ASP 38 -17.232 36.460 5.411 1.00 13.01 ATOM 588 HB1 ASP 38 -18.265 36.502 5.727 1.00 38.44 ATOM 589 HB2 ASP 38 -16.961 37.403 4.959 1.00 72.51 ATOM 590 CG ASP 38 -16.364 36.242 6.639 1.00 5.41 ATOM 591 OD1 ASP 38 -15.267 36.836 6.722 1.00 41.24 ATOM 592 OD2 ASP 38 -16.770 35.451 7.515 1.00 51.25 ATOM 593 C ASP 38 -15.700 35.455 3.680 1.00 5.12 ATOM 594 O ASP 38 -15.602 35.935 2.547 1.00 53.33 ATOM 595 N LYS 39 -14.655 35.000 4.363 1.00 3.52 ATOM 596 HN LYS 39 -14.799 34.628 5.258 1.00 38.44 ATOM 597 CA LYS 39 -13.298 35.041 3.822 1.00 61.53 ATOM 598 HA LYS 39 -13.093 36.063 3.531 1.00 22.03 ATOM 599 CB LYS 39 -12.294 34.627 4.903 1.00 62.23 ATOM 600 HB1 LYS 39 -12.459 33.587 5.151 1.00 38.44 ATOM 601 HB2 LYS 39 -12.466 35.227 5.786 1.00 2.12 ATOM 602 CG LYS 39 -10.836 34.794 4.488 1.00 54.25 ATOM 603 HG1 LYS 39 -10.694 35.793 4.097 1.00 38.44 ATOM 604 HG2 LYS 39 -10.610 34.072 3.716 1.00 60.34 ATOM 605 CD LYS 39 -9.881 34.579 5.659 1.00 53.31 ATOM 606 HD1 LYS 39 -8.865 34.675 5.305 1.00 38.44 ATOM 607 HD2 LYS 39 -10.031 33.583 6.052 1.00 44.41 ATOM 608 CE LYS 39 -10.118 35.593 6.778 1.00 71.41 ATOM 609 HE1 LYS 39 -11.101 35.429 7.193 1.00 38.44 ATOM 610 HE2 LYS 39 -10.068 36.589 6.362 1.00 3.22 ATOM 611 NZ LYS 39 -9.110 35.479 7.867 1.00 42.34 ATOM 612 HZ1 LYS 39 -9.344 36.137 8.641 1.00 10.23 ATOM 613 HZ2 LYS 39 -8.165 35.714 7.504 1.00 42.33 ATOM 614 HZ3 LYS 39 -9.093 34.509 8.241 1.00 63.01 ATOM 615 C LYS 39 -13.166 34.139 2.580 1.00 73.51 ATOM 616 O LYS 39 -12.466 34.480 1.627 1.00 42.34 ATOM 617 N ILE 40 -13.864 33.000 2.595 1.00 44.22 ATOM 618 HN ILE 40 -14.394 32.780 3.392 1.00 38.44 ATOM 619 CA ILE 40 -13.875 32.066 1.456 1.00 61.43 ATOM 620 HA ILE 40 -12.873 31.681 1.328 1.00 10.43 ATOM 621 CB ILE 40 -14.830 30.874 1.730 1.00 13.12 ATOM 622 HB ILE 40 -15.829 31.270 1.853 1.00 3.42 ATOM 623 CG1 ILE 40 -14.426 30.140 3.021 1.00 23.02 ATOM 624 HG11 ILE 40 -14.392 30.851 3.836 1.00 38.44 ATOM 625 HG12 ILE 40 -13.447 29.704 2.892 1.00 74.01 ATOM 626 CG2 ILE 40 -14.855 29.911 0.545 1.00 23.13 ATOM 627 HG21 ILE 40 -13.858 29.535 0.362 1.00 51.32 ATOM 628 HG22 ILE 40 -15.209 30.429 -0.335 1.00 14.14 ATOM 629 HG23 ILE 40 -15.516 29.084 0.764 1.00 53.10 ATOM 630 CD1 ILE 40 -15.378 29.027 3.419 1.00 44.41 ATOM 631 HD11 ILE 40 -15.426 28.293 2.630 1.00 54.43 ATOM 632 HD12 ILE 40 -16.363 29.436 3.589 1.00 43.32 ATOM 633 HD13 ILE 40 -15.023 28.558 4.324 1.00 22.24 ATOM 634 C ILE 40 -14.319 32.767 0.158 1.00 73.54 ATOM 635 O ILE 40 -13.765 32.532 -0.918 1.00 31.45 ATOM 636 N VAL 41 -15.328 33.626 0.277 1.00 33.43 ATOM 637 HN VAL 41 -15.729 33.760 1.161 1.00 38.44 ATOM 638 CA VAL 41 -15.864 34.371 -0.867 1.00 24.34 ATOM 639 HA VAL 41 -15.976 33.679 -1.691 1.00 22.53 ATOM 640 CB VAL 41 -17.259 34.960 -0.533 1.00 23.21 ATOM 641 HB VAL 41 -17.142 35.649 0.293 1.00 52.43 ATOM 642 CG1 VAL 41 -17.829 35.739 -1.717 1.00 24.32 ATOM 643 HG11 VAL 41 -17.907 35.087 -2.576 1.00 42.43 ATOM 644 HG12 VAL 41 -17.176 36.567 -1.953 1.00 50.15 ATOM 645 HG13 VAL 41 -18.809 36.117 -1.463 1.00 65.21 ATOM 646 CG2 VAL 41 -18.219 33.856 -0.095 1.00 73.54 ATOM 647 HG21 VAL 41 -18.345 33.146 -0.900 1.00 33.30 ATOM 648 HG22 VAL 41 -19.178 34.290 0.155 1.00 63.42 ATOM 649 HG23 VAL 41 -17.818 33.351 0.770 1.00 34.24 ATOM 650 C VAL 41 -14.925 35.513 -1.298 1.00 34.24 ATOM 651 O VAL 41 -14.784 35.801 -2.490 1.00 53.14 ATOM 652 N ASN 42 -14.287 36.155 -0.318 1.00 34.23 ATOM 653 HN ASN 42 -14.399 35.840 0.606 1.00 38.44 ATOM 654 CA ASN 42 -13.412 37.308 -0.576 1.00 22.32 ATOM 655 HA ASN 42 -13.932 37.964 -1.261 1.00 42.22 ATOM 656 CB ASN 42 -13.150 38.073 0.727 1.00 3.53 ATOM 657 HB1 ASN 42 -12.353 38.785 0.562 1.00 38.44 ATOM 658 HB2 ASN 42 -12.841 37.373 1.489 1.00 71.43 ATOM 659 CG ASN 42 -14.368 38.828 1.244 1.00 55.33 ATOM 660 OD1 ASN 42 -14.236 39.853 1.909 1.00 21.32 ATOM 661 ND2 ASN 42 -15.559 38.342 0.949 1.00 24.11 ATOM 662 HD21 ASN 42 -15.611 37.524 0.416 1.00 23.32 ATOM 663 HD22 ASN 42 -16.343 38.820 1.282 1.00 13.12 ATOM 664 C ASN 42 -12.074 36.897 -1.215 1.00 11.33 ATOM 665 O ASN 42 -11.571 37.579 -2.113 1.00 14.32 ATOM 666 N LEU 43 -11.497 35.789 -0.749 1.00 51.20 ATOM 667 HN LEU 43 -11.961 35.262 -0.064 1.00 38.44 ATOM 668 CA LEU 43 -10.187 35.332 -1.239 1.00 35.32 ATOM 669 HA LEU 43 -9.503 36.165 -1.152 1.00 44.41 ATOM 670 CB LEU 43 -9.657 34.173 -0.376 1.00 3.33 ATOM 671 HB1 LEU 43 -8.761 33.786 -0.844 1.00 38.44 ATOM 672 HB2 LEU 43 -10.403 33.389 -0.371 1.00 31.40 ATOM 673 CG LEU 43 -9.322 34.529 1.081 1.00 33.04 ATOM 674 HG LEU 43 -10.230 34.832 1.586 1.00 41.02 ATOM 675 CD1 LEU 43 -8.767 33.311 1.819 1.00 62.52 ATOM 676 HD11 LEU 43 -7.860 32.975 1.337 1.00 72.41 ATOM 677 HD12 LEU 43 -9.498 32.514 1.803 1.00 32.52 ATOM 678 HD13 LEU 43 -8.552 33.577 2.845 1.00 24.21 ATOM 679 CD2 LEU 43 -8.339 35.699 1.140 1.00 70.05 ATOM 680 HD21 LEU 43 -7.437 35.440 0.604 1.00 0.01 ATOM 681 HD22 LEU 43 -8.094 35.917 2.169 1.00 31.23 ATOM 682 HD23 LEU 43 -8.789 36.571 0.687 1.00 5.20 ATOM 683 C LEU 43 -10.237 34.889 -2.714 1.00 25.01 ATOM 684 O LEU 43 -11.166 34.195 -3.133 1.00 41.23 ATOM 685 N PRO 44 -9.236 35.294 -3.523 1.00 71.13 ATOM 686 CA PRO 44 -9.119 34.857 -4.927 1.00 10.44 ATOM 687 HA PRO 44 -10.044 35.017 -5.466 1.00 34.42 ATOM 688 CB PRO 44 -8.032 35.782 -5.492 1.00 31.43 ATOM 689 HB1 PRO 44 -8.493 36.647 -5.949 1.00 38.44 ATOM 690 HB2 PRO 44 -7.445 35.252 -6.230 1.00 73.34 ATOM 691 CG PRO 44 -7.209 36.167 -4.310 1.00 1.45 ATOM 692 HG1 PRO 44 -6.758 37.136 -4.475 1.00 38.44 ATOM 693 HG2 PRO 44 -6.444 35.423 -4.138 1.00 14.42 ATOM 694 CD PRO 44 -8.152 36.219 -3.137 1.00 21.14 ATOM 695 HD1 PRO 44 -8.532 37.221 -2.998 1.00 38.44 ATOM 696 HD2 PRO 44 -7.658 35.875 -2.239 1.00 63.04 ATOM 697 C PRO 44 -8.710 33.375 -5.057 1.00 3.32 ATOM 698 O PRO 44 -8.428 32.710 -4.060 1.00 4.12 ATOM 699 N VAL 45 -8.659 32.871 -6.293 1.00 31.00 ATOM 700 HN VAL 45 -8.780 33.477 -7.058 1.00 38.44 ATOM 701 CA VAL 45 -8.431 31.437 -6.544 1.00 62.22 ATOM 702 HA VAL 45 -9.271 30.904 -6.111 1.00 62.03 ATOM 703 CB VAL 45 -8.412 31.118 -8.066 1.00 14.42 ATOM 704 HB VAL 45 -9.344 31.466 -8.493 1.00 31.31 ATOM 705 CG1 VAL 45 -7.274 31.849 -8.772 1.00 44.32 ATOM 706 HG11 VAL 45 -7.382 32.914 -8.620 1.00 41.42 ATOM 707 HG12 VAL 45 -7.305 31.633 -9.831 1.00 43.51 ATOM 708 HG13 VAL 45 -6.326 31.523 -8.367 1.00 70.32 ATOM 709 CG2 VAL 45 -8.318 29.612 -8.305 1.00 43.42 ATOM 710 HG21 VAL 45 -9.149 29.118 -7.821 1.00 2.34 ATOM 711 HG22 VAL 45 -7.390 29.237 -7.895 1.00 13.22 ATOM 712 HG23 VAL 45 -8.349 29.409 -9.366 1.00 24.11 ATOM 713 C VAL 45 -7.136 30.905 -5.882 1.00 42.11 ATOM 714 O VAL 45 -7.141 29.827 -5.286 1.00 54.41 ATOM 715 N ASP 46 -6.040 31.661 -5.973 1.00 51.32 ATOM 716 HN ASP 46 -6.094 32.527 -6.432 1.00 38.44 ATOM 717 CA ASP 46 -4.752 31.229 -5.402 1.00 32.11 ATOM 718 HA ASP 46 -4.514 30.264 -5.829 1.00 71.42 ATOM 719 CB ASP 46 -3.647 32.220 -5.784 1.00 20.14 ATOM 720 HB1 ASP 46 -3.895 33.193 -5.383 1.00 38.44 ATOM 721 HB2 ASP 46 -3.590 32.287 -6.862 1.00 1.33 ATOM 722 CG ASP 46 -2.282 31.810 -5.256 1.00 43.13 ATOM 723 OD1 ASP 46 -1.663 30.894 -5.837 1.00 4.32 ATOM 724 OD2 ASP 46 -1.821 32.405 -4.264 1.00 73.04 ATOM 725 C ASP 46 -4.834 31.078 -3.871 1.00 1.20 ATOM 726 O ASP 46 -4.528 30.017 -3.323 1.00 51.32 ATOM 727 N ASP 47 -5.250 32.146 -3.190 1.00 32.23 ATOM 728 HN ASP 47 -5.430 32.979 -3.678 1.00 38.44 ATOM 729 CA ASP 47 -5.428 32.123 -1.733 1.00 24.11 ATOM 730 HA ASP 47 -4.469 31.891 -1.288 1.00 50.23 ATOM 731 CB ASP 47 -5.882 33.499 -1.245 1.00 20.34 ATOM 732 HB1 ASP 47 -6.027 33.468 -0.174 1.00 38.44 ATOM 733 HB2 ASP 47 -6.819 33.755 -1.722 1.00 3.21 ATOM 734 CG ASP 47 -4.867 34.581 -1.568 1.00 73.45 ATOM 735 OD1 ASP 47 -4.241 35.117 -0.629 1.00 72.13 ATOM 736 OD2 ASP 47 -4.682 34.893 -2.764 1.00 60.33 ATOM 737 C ASP 47 -6.445 31.048 -1.307 1.00 1.20 ATOM 738 O ASP 47 -6.281 30.393 -0.276 1.00 24.25 ATOM 739 N PHE 48 -7.489 30.877 -2.116 1.00 52.20 ATOM 740 HN PHE 48 -7.583 31.466 -2.895 1.00 38.44 ATOM 741 CA PHE 48 -8.509 29.848 -1.885 1.00 75.14 ATOM 742 HA PHE 48 -8.938 30.019 -0.905 1.00 21.20 ATOM 743 CB PHE 48 -9.617 29.983 -2.945 1.00 35.34 ATOM 744 HB1 PHE 48 -9.174 29.885 -3.926 1.00 38.44 ATOM 745 HB2 PHE 48 -10.063 30.965 -2.861 1.00 32.34 ATOM 746 CG PHE 48 -10.725 28.965 -2.829 1.00 3.52 ATOM 747 CD1 PHE 48 -10.834 27.923 -3.744 1.00 52.30 ATOM 748 HD1 PHE 48 -10.117 27.846 -4.548 1.00 22.44 ATOM 749 CD2 PHE 48 -11.655 29.047 -1.803 1.00 62.43 ATOM 750 HD2 PHE 48 -11.585 29.852 -1.086 1.00 4.25 ATOM 751 CE1 PHE 48 -11.849 26.992 -3.637 1.00 65.23 ATOM 752 HE1 PHE 48 -11.923 26.186 -4.354 1.00 10.42 ATOM 753 CE2 PHE 48 -12.671 28.118 -1.695 1.00 55.53 ATOM 754 HE2 PHE 48 -13.389 28.193 -0.891 1.00 23.00 ATOM 755 CZ PHE 48 -12.766 27.088 -2.609 1.00 2.14 ATOM 756 HZ PHE 48 -13.560 26.359 -2.521 1.00 24.11 ATOM 757 C PHE 48 -7.894 28.434 -1.919 1.00 2.32 ATOM 758 O PHE 48 -8.107 27.628 -1.010 1.00 61.24 ATOM 759 N ASN 49 -7.121 28.144 -2.968 1.00 0.42 ATOM 760 HN ASN 49 -7.006 28.817 -3.675 1.00 38.44 ATOM 761 CA ASN 49 -6.445 26.844 -3.101 1.00 75.13 ATOM 762 HA ASN 49 -7.204 26.076 -3.062 1.00 41.00 ATOM 763 CB ASN 49 -5.720 26.753 -4.447 1.00 20.02 ATOM 764 HB1 ASN 49 -5.185 25.814 -4.500 1.00 38.44 ATOM 765 HB2 ASN 49 -5.015 27.568 -4.524 1.00 72.15 ATOM 766 CG ASN 49 -6.675 26.830 -5.627 1.00 62.12 ATOM 767 OD1 ASN 49 -7.835 26.446 -5.532 1.00 20.43 ATOM 768 ND2 ASN 49 -6.192 27.318 -6.752 1.00 3.24 ATOM 769 HD21 ASN 49 -5.256 27.605 -6.769 1.00 71.22 ATOM 770 HD22 ASN 49 -6.789 27.365 -7.526 1.00 60.04 ATOM 771 C ASN 49 -5.457 26.608 -1.948 1.00 71.40 ATOM 772 O ASN 49 -5.392 25.509 -1.384 1.00 70.01 ATOM 773 N GLU 50 -4.689 27.643 -1.604 1.00 50.02 ATOM 774 HN GLU 50 -4.719 28.459 -2.148 1.00 38.44 ATOM 775 CA GLU 50 -3.800 27.591 -0.438 1.00 40.12 ATOM 776 HA GLU 50 -3.056 26.828 -0.623 1.00 50.32 ATOM 777 CB GLU 50 -3.095 28.942 -0.235 1.00 74.35 ATOM 778 HB1 GLU 50 -2.664 28.963 0.757 1.00 38.44 ATOM 779 HB2 GLU 50 -3.830 29.732 -0.312 1.00 64.12 ATOM 780 CG GLU 50 -1.984 29.225 -1.242 1.00 11.24 ATOM 781 HG1 GLU 50 -1.614 30.228 -1.079 1.00 38.44 ATOM 782 HG2 GLU 50 -2.393 29.155 -2.242 1.00 71.11 ATOM 783 CD GLU 50 -0.823 28.251 -1.116 1.00 23.21 ATOM 784 OE1 GLU 50 -0.629 27.417 -2.026 1.00 74.52 ATOM 785 OE2 GLU 50 -0.103 28.311 -0.094 1.00 31.01 ATOM 786 C GLU 50 -4.585 27.224 0.825 1.00 51.33 ATOM 787 O GLU 50 -4.222 26.301 1.548 1.00 54.11 ATOM 788 N LEU 51 -5.675 27.947 1.060 1.00 23.31 ATOM 789 HN LEU 51 -5.910 28.664 0.432 1.00 38.44 ATOM 790 CA LEU 51 -6.542 27.717 2.218 1.00 70.22 ATOM 791 HA LEU 51 -5.997 28.009 3.105 1.00 33.52 ATOM 792 CB LEU 51 -7.796 28.598 2.085 1.00 13.52 ATOM 793 HB1 LEU 51 -8.379 28.228 1.252 1.00 38.44 ATOM 794 HB2 LEU 51 -7.476 29.605 1.850 1.00 55.12 ATOM 795 CG LEU 51 -8.711 28.662 3.319 1.00 55.51 ATOM 796 HG LEU 51 -8.976 27.656 3.614 1.00 51.22 ATOM 797 CD1 LEU 51 -7.991 29.321 4.493 1.00 62.42 ATOM 798 HD11 LEU 51 -7.119 28.739 4.755 1.00 1.22 ATOM 799 HD12 LEU 51 -8.657 29.373 5.343 1.00 72.23 ATOM 800 HD13 LEU 51 -7.684 30.320 4.215 1.00 33.42 ATOM 801 CD2 LEU 51 -10.000 29.411 2.986 1.00 14.42 ATOM 802 HD21 LEU 51 -10.494 28.926 2.156 1.00 20.52 ATOM 803 HD22 LEU 51 -9.770 30.432 2.720 1.00 70.15 ATOM 804 HD23 LEU 51 -10.654 29.404 3.846 1.00 62.21 ATOM 805 C LEU 51 -6.938 26.232 2.340 1.00 5.53 ATOM 806 O LEU 51 -6.796 25.621 3.402 1.00 43.51 ATOM 807 N LEU 52 -7.404 25.652 1.234 1.00 4.20 ATOM 808 HN LEU 52 -7.490 26.190 0.417 1.00 38.44 ATOM 809 CA LEU 52 -7.809 24.238 1.205 1.00 61.02 ATOM 810 HA LEU 52 -8.519 24.086 2.005 1.00 61.21 ATOM 811 CB LEU 52 -8.496 23.908 -0.128 1.00 74.24 ATOM 812 HB1 LEU 52 -8.709 22.847 -0.147 1.00 38.44 ATOM 813 HB2 LEU 52 -7.802 24.131 -0.927 1.00 31.43 ATOM 814 CG LEU 52 -9.807 24.665 -0.402 1.00 2.14 ATOM 815 HG LEU 52 -9.595 25.724 -0.463 1.00 35.11 ATOM 816 CD1 LEU 52 -10.409 24.236 -1.739 1.00 30.31 ATOM 817 HD11 LEU 52 -10.600 23.171 -1.725 1.00 74.24 ATOM 818 HD12 LEU 52 -9.718 24.466 -2.538 1.00 64.33 ATOM 819 HD13 LEU 52 -11.336 24.766 -1.905 1.00 2.01 ATOM 820 CD2 LEU 52 -10.806 24.451 0.736 1.00 52.11 ATOM 821 HD21 LEU 52 -11.008 23.394 0.847 1.00 44.43 ATOM 822 HD22 LEU 52 -11.727 24.971 0.510 1.00 32.24 ATOM 823 HD23 LEU 52 -10.394 24.837 1.658 1.00 72.12 ATOM 824 C LEU 52 -6.621 23.284 1.422 1.00 55.22 ATOM 825 O LEU 52 -6.782 22.198 1.980 1.00 64.43 ATOM 826 N ALA 53 -5.434 23.684 0.972 1.00 61.14 ATOM 827 HN ALA 53 -5.362 24.559 0.530 1.00 38.44 ATOM 828 CA ALA 53 -4.229 22.851 1.111 1.00 35.24 ATOM 829 HA ALA 53 -4.522 21.820 0.968 1.00 15.21 ATOM 830 CB ALA 53 -3.223 23.209 0.022 1.00 64.43 ATOM 831 HB1 ALA 53 -2.927 24.243 0.129 1.00 2.14 ATOM 832 HB2 ALA 53 -3.677 23.064 -0.947 1.00 15.22 ATOM 833 HB3 ALA 53 -2.354 22.575 0.111 1.00 41.53 ATOM 834 C ALA 53 -3.581 22.991 2.501 1.00 11.44 ATOM 835 O ALA 53 -2.834 22.116 2.945 1.00 22.34 ATOM 836 N ARG 54 -3.869 24.095 3.180 1.00 45.24 ATOM 837 HN ARG 54 -4.487 24.746 2.785 1.00 38.44 ATOM 838 CA ARG 54 -3.276 24.380 4.492 1.00 23.41 ATOM 839 HA ARG 54 -2.303 23.908 4.525 1.00 10.40 ATOM 840 CB ARG 54 -3.090 25.893 4.647 1.00 62.13 ATOM 841 HB1 ARG 54 -2.737 26.104 5.645 1.00 38.44 ATOM 842 HB2 ARG 54 -4.047 26.376 4.505 1.00 11.03 ATOM 843 CG ARG 54 -2.098 26.488 3.648 1.00 62.02 ATOM 844 HG1 ARG 54 -2.402 26.218 2.645 1.00 38.44 ATOM 845 HG2 ARG 54 -1.116 26.082 3.845 1.00 72.25 ATOM 846 CD ARG 54 -2.030 28.005 3.753 1.00 1.42 ATOM 847 HD1 ARG 54 -1.682 28.270 4.742 1.00 38.44 ATOM 848 HD2 ARG 54 -3.021 28.409 3.602 1.00 71.01 ATOM 849 NE ARG 54 -1.126 28.584 2.759 1.00 22.44 ATOM 850 HE ARG 54 -0.955 28.070 1.942 1.00 73.20 ATOM 851 CZ ARG 54 -0.533 29.734 2.898 1.00 61.33 ATOM 852 NH1 ARG 54 -0.728 30.448 3.959 1.00 31.10 ATOM 853 HH11 ARG 54 -1.341 30.119 4.674 1.00 61.32 ATOM 854 HH12 ARG 54 -0.252 31.317 4.069 1.00 63.25 ATOM 855 NH2 ARG 54 0.249 30.169 1.966 1.00 61.43 ATOM 856 HH21 ARG 54 0.391 29.620 1.141 1.00 41.02 ATOM 857 HH22 ARG 54 0.716 31.044 2.076 1.00 75.41 ATOM 858 C ARG 54 -4.124 23.830 5.653 1.00 4.55 ATOM 859 O ARG 54 -3.641 23.712 6.780 1.00 50.24 ATOM 860 N TYR 55 -5.384 23.504 5.385 1.00 60.44 ATOM 861 HN TYR 55 -5.725 23.630 4.476 1.00 38.44 ATOM 862 CA TYR 55 -6.277 22.967 6.418 1.00 23.22 ATOM 863 HA TYR 55 -5.791 23.118 7.375 1.00 42.13 ATOM 864 CB TYR 55 -7.601 23.743 6.422 1.00 75.32 ATOM 865 HB1 TYR 55 -8.345 23.179 6.964 1.00 38.44 ATOM 866 HB2 TYR 55 -7.935 23.882 5.402 1.00 43.32 ATOM 867 CG TYR 55 -7.481 25.111 7.070 1.00 14.41 ATOM 868 CD1 TYR 55 -8.036 25.359 8.320 1.00 15.00 ATOM 869 HD1 TYR 55 -8.569 24.565 8.824 1.00 2.22 ATOM 870 CD2 TYR 55 -6.801 26.147 6.442 1.00 43.41 ATOM 871 HD2 TYR 55 -6.362 25.974 5.469 1.00 54.53 ATOM 872 CE1 TYR 55 -7.915 26.596 8.925 1.00 21.01 ATOM 873 HE1 TYR 55 -8.355 26.765 9.896 1.00 55.13 ATOM 874 CE2 TYR 55 -6.677 27.388 7.039 1.00 43.35 ATOM 875 HE2 TYR 55 -6.145 28.179 6.531 1.00 42.40 ATOM 876 CZ TYR 55 -7.237 27.609 8.280 1.00 14.41 ATOM 877 OH TYR 55 -7.111 28.843 8.881 1.00 35.21 ATOM 878 HH TYR 55 -6.918 28.720 9.818 1.00 23.13 ATOM 879 C TYR 55 -6.523 21.458 6.243 1.00 55.12 ATOM 880 O TYR 55 -6.598 20.951 5.122 1.00 3.13 ATOM 881 N PRO 56 -6.665 20.722 7.366 1.00 40.24 ATOM 882 CA PRO 56 -6.790 19.248 7.354 1.00 55.01 ATOM 883 HA PRO 56 -6.052 18.794 6.707 1.00 3.03 ATOM 884 CB PRO 56 -6.481 18.888 8.812 1.00 74.45 ATOM 885 HB1 PRO 56 -5.415 18.756 8.934 1.00 38.44 ATOM 886 HB2 PRO 56 -6.993 17.975 9.084 1.00 73.54 ATOM 887 CG PRO 56 -6.978 20.054 9.596 1.00 11.24 ATOM 888 HG1 PRO 56 -6.441 20.127 10.531 1.00 38.44 ATOM 889 HG2 PRO 56 -8.039 19.951 9.780 1.00 20.31 ATOM 890 CD PRO 56 -6.708 21.267 8.743 1.00 23.21 ATOM 891 HD1 PRO 56 -5.760 21.713 9.009 1.00 38.44 ATOM 892 HD2 PRO 56 -7.506 21.988 8.847 1.00 74.23 ATOM 893 C PRO 56 -8.192 18.743 6.957 1.00 42.44 ATOM 894 O PRO 56 -8.714 17.801 7.557 1.00 73.22 ATOM 895 N LEU 57 -8.779 19.343 5.926 1.00 3.35 ATOM 896 HN LEU 57 -8.295 20.046 5.447 1.00 38.44 ATOM 897 CA LEU 57 -10.126 18.969 5.476 1.00 40.32 ATOM 898 HA LEU 57 -10.720 18.745 6.350 1.00 51.12 ATOM 899 CB LEU 57 -10.773 20.140 4.721 1.00 43.31 ATOM 900 HB1 LEU 57 -11.775 19.848 4.440 1.00 38.44 ATOM 901 HB2 LEU 57 -10.205 20.315 3.814 1.00 65.31 ATOM 902 CG LEU 57 -10.860 21.467 5.492 1.00 74.22 ATOM 903 HG LEU 57 -9.858 21.811 5.709 1.00 33.44 ATOM 904 CD1 LEU 57 -11.543 22.533 4.638 1.00 35.53 ATOM 905 HD11 LEU 57 -11.599 23.458 5.193 1.00 40.22 ATOM 906 HD12 LEU 57 -12.541 22.208 4.382 1.00 75.53 ATOM 907 HD13 LEU 57 -10.972 22.691 3.733 1.00 4.40 ATOM 908 CD2 LEU 57 -11.592 21.284 6.823 1.00 12.40 ATOM 909 HD21 LEU 57 -11.082 20.540 7.417 1.00 33.43 ATOM 910 HD22 LEU 57 -12.608 20.961 6.639 1.00 41.25 ATOM 911 HD23 LEU 57 -11.607 22.223 7.358 1.00 10.44 ATOM 912 C LEU 57 -10.098 17.729 4.566 1.00 42.22 ATOM 913 O LEU 57 -9.160 17.533 3.792 1.00 64.45 ATOM 914 N THR 58 -11.136 16.897 4.656 1.00 34.11 ATOM 915 HN THR 58 -11.829 17.069 5.330 1.00 38.44 ATOM 916 CA THR 58 -11.271 15.729 3.770 1.00 62.40 ATOM 917 HA THR 58 -10.279 15.351 3.561 1.00 25.50 ATOM 918 CB THR 58 -12.098 14.594 4.419 1.00 13.25 ATOM 919 HB THR 58 -12.100 13.746 3.749 1.00 20.44 ATOM 920 OG1 THR 58 -13.452 15.024 4.626 1.00 41.11 ATOM 921 HG1 THR 58 -14.011 14.257 4.792 1.00 52.23 ATOM 922 CG2 THR 58 -11.491 14.160 5.749 1.00 55.33 ATOM 923 HG21 THR 58 -11.490 14.995 6.436 1.00 45.54 ATOM 924 HG22 THR 58 -10.476 13.823 5.592 1.00 15.43 ATOM 925 HG23 THR 58 -12.077 13.354 6.166 1.00 63.35 ATOM 926 C THR 58 -11.943 16.118 2.447 1.00 13.22 ATOM 927 O THR 58 -12.569 17.176 2.348 1.00 64.33 ATOM 928 N GLU 59 -11.834 15.247 1.444 1.00 11.14 ATOM 929 HN GLU 59 -11.380 14.393 1.612 1.00 38.44 ATOM 930 CA GLU 59 -12.365 15.514 0.094 1.00 41.41 ATOM 931 HA GLU 59 -11.732 16.264 -0.361 1.00 32.34 ATOM 932 CB GLU 59 -12.291 14.235 -0.749 1.00 73.45 ATOM 933 HB1 GLU 59 -12.813 14.398 -1.682 1.00 38.44 ATOM 934 HB2 GLU 59 -12.777 13.433 -0.211 1.00 15.42 ATOM 935 CG GLU 59 -10.865 13.801 -1.069 1.00 15.12 ATOM 936 HG1 GLU 59 -10.285 13.823 -0.156 1.00 38.44 ATOM 937 HG2 GLU 59 -10.441 14.500 -1.777 1.00 73.41 ATOM 938 CD GLU 59 -10.788 12.405 -1.664 1.00 51.23 ATOM 939 OE1 GLU 59 -10.324 11.480 -0.964 1.00 24.13 ATOM 940 OE2 GLU 59 -11.190 12.226 -2.831 1.00 1.12 ATOM 941 C GLU 59 -13.811 16.047 0.113 1.00 0.40 ATOM 942 O GLU 59 -14.178 16.904 -0.697 1.00 55.11 ATOM 943 N SER 60 -14.623 15.548 1.041 1.00 62.34 ATOM 944 HN SER 60 -14.276 14.876 1.665 1.00 38.44 ATOM 945 CA SER 60 -16.021 15.990 1.167 1.00 22.24 ATOM 946 HA SER 60 -16.480 15.911 0.191 1.00 11.05 ATOM 947 CB SER 60 -16.784 15.091 2.151 1.00 13.45 ATOM 948 HB1 SER 60 -16.738 14.066 1.811 1.00 38.44 ATOM 949 HB2 SER 60 -17.816 15.406 2.198 1.00 44.53 ATOM 950 OG SER 60 -16.224 15.165 3.454 1.00 13.41 ATOM 951 HG SER 60 -15.981 14.279 3.749 1.00 14.55 ATOM 952 C SER 60 -16.105 17.450 1.640 1.00 23.13 ATOM 953 O SER 60 -16.926 18.229 1.150 1.00 23.00 ATOM 954 N GLN 61 -15.242 17.815 2.587 1.00 72.22 ATOM 955 HN GLN 61 -14.598 17.153 2.922 1.00 38.44 ATOM 956 CA GLN 61 -15.231 19.169 3.151 1.00 12.31 ATOM 957 HA GLN 61 -16.238 19.396 3.472 1.00 4.51 ATOM 958 CB GLN 61 -14.304 19.224 4.375 1.00 34.42 ATOM 959 HB1 GLN 61 -14.312 20.228 4.776 1.00 38.44 ATOM 960 HB2 GLN 61 -13.299 18.981 4.061 1.00 33.20 ATOM 961 CG GLN 61 -14.698 18.260 5.495 1.00 3.40 ATOM 962 HG1 GLN 61 -14.616 17.247 5.123 1.00 38.44 ATOM 963 HG2 GLN 61 -15.723 18.453 5.778 1.00 31.42 ATOM 964 CD GLN 61 -13.818 18.398 6.729 1.00 64.25 ATOM 965 OE1 GLN 61 -12.784 17.746 6.848 1.00 34.20 ATOM 966 NE2 GLN 61 -14.222 19.236 7.662 1.00 54.11 ATOM 967 HE21 GLN 61 -15.061 19.719 7.523 1.00 44.42 ATOM 968 HE22 GLN 61 -13.663 19.343 8.456 1.00 52.33 ATOM 969 C GLN 61 -14.808 20.221 2.106 1.00 62.32 ATOM 970 O GLN 61 -15.423 21.285 2.006 1.00 23.34 ATOM 971 N LEU 62 -13.767 19.919 1.319 1.00 3.43 ATOM 972 HN LEU 62 -13.296 19.068 1.457 1.00 38.44 ATOM 973 CA LEU 62 -13.314 20.837 0.258 1.00 73.51 ATOM 974 HA LEU 62 -13.065 21.777 0.734 1.00 61.03 ATOM 975 CB LEU 62 -12.063 20.304 -0.467 1.00 3.11 ATOM 976 HB1 LEU 62 -11.921 20.892 -1.364 1.00 38.44 ATOM 977 HB2 LEU 62 -12.255 19.281 -0.761 1.00 42.32 ATOM 978 CG LEU 62 -10.745 20.335 0.337 1.00 71.31 ATOM 979 HG LEU 62 -10.675 21.278 0.858 1.00 35.50 ATOM 980 CD1 LEU 62 -10.707 19.235 1.388 1.00 25.33 ATOM 981 HD11 LEU 62 -10.787 18.270 0.908 1.00 62.13 ATOM 982 HD12 LEU 62 -11.529 19.364 2.075 1.00 22.43 ATOM 983 HD13 LEU 62 -9.774 19.289 1.932 1.00 10.13 ATOM 984 CD2 LEU 62 -9.540 20.228 -0.597 1.00 21.33 ATOM 985 HD21 LEU 62 -9.584 19.296 -1.143 1.00 74.32 ATOM 986 HD22 LEU 62 -8.630 20.261 -0.015 1.00 10.43 ATOM 987 HD23 LEU 62 -9.548 21.054 -1.295 1.00 3.23 ATOM 988 C LEU 62 -14.426 21.094 -0.772 1.00 31.43 ATOM 989 O LEU 62 -14.605 22.220 -1.246 1.00 51.41 ATOM 990 N ALA 63 -15.168 20.042 -1.119 1.00 33.42 ATOM 991 HN ALA 63 -14.947 19.162 -0.748 1.00 38.44 ATOM 992 CA ALA 63 -16.299 20.163 -2.043 1.00 62.43 ATOM 993 HA ALA 63 -15.917 20.533 -2.987 1.00 34.34 ATOM 994 CB ALA 63 -16.929 18.797 -2.291 1.00 70.44 ATOM 995 HB1 ALA 63 -17.712 18.890 -3.029 1.00 33.44 ATOM 996 HB2 ALA 63 -17.347 18.420 -1.369 1.00 43.15 ATOM 997 HB3 ALA 63 -16.176 18.111 -2.650 1.00 21.31 ATOM 998 C ALA 63 -17.350 21.149 -1.509 1.00 61.33 ATOM 999 O ALA 63 -17.908 21.948 -2.262 1.00 32.34 ATOM 1000 N LEU 64 -17.610 21.084 -0.202 1.00 15.15 ATOM 1001 HN LEU 64 -17.175 20.385 0.335 1.00 38.44 ATOM 1002 CA LEU 64 -18.530 22.020 0.454 1.00 31.42 ATOM 1003 HA LEU 64 -19.491 21.938 -0.033 1.00 72.34 ATOM 1004 CB LEU 64 -18.688 21.662 1.936 1.00 44.34 ATOM 1005 HB1 LEU 64 -17.718 21.736 2.410 1.00 38.44 ATOM 1006 HB2 LEU 64 -19.022 20.635 2.004 1.00 52.14 ATOM 1007 CG LEU 64 -19.673 22.545 2.714 1.00 23.40 ATOM 1008 HG LEU 64 -19.457 23.581 2.495 1.00 24.43 ATOM 1009 CD1 LEU 64 -21.109 22.271 2.277 1.00 51.40 ATOM 1010 HD11 LEU 64 -21.353 21.233 2.459 1.00 30.34 ATOM 1011 HD12 LEU 64 -21.213 22.486 1.223 1.00 64.45 ATOM 1012 HD13 LEU 64 -21.782 22.901 2.839 1.00 32.03 ATOM 1013 CD2 LEU 64 -19.510 22.343 4.216 1.00 42.43 ATOM 1014 HD21 LEU 64 -19.702 21.309 4.465 1.00 11.23 ATOM 1015 HD22 LEU 64 -20.210 22.976 4.743 1.00 25.55 ATOM 1016 HD23 LEU 64 -18.502 22.603 4.507 1.00 61.13 ATOM 1017 C LEU 64 -18.030 23.469 0.333 1.00 34.30 ATOM 1018 O LEU 64 -18.758 24.356 -0.121 1.00 3.51 ATOM 1019 N VAL 65 -16.780 23.693 0.739 1.00 53.01 ATOM 1020 HN VAL 65 -16.254 22.938 1.082 1.00 38.44 ATOM 1021 CA VAL 65 -16.164 25.026 0.695 1.00 51.02 ATOM 1022 HA VAL 65 -16.695 25.659 1.397 1.00 22.03 ATOM 1023 CB VAL 65 -14.676 24.963 1.130 1.00 13.31 ATOM 1024 HB VAL 65 -14.148 24.320 0.437 1.00 73.13 ATOM 1025 CG1 VAL 65 -14.027 26.344 1.082 1.00 60.01 ATOM 1026 HG11 VAL 65 -14.530 27.003 1.773 1.00 40.31 ATOM 1027 HG12 VAL 65 -14.104 26.746 0.082 1.00 62.40 ATOM 1028 HG13 VAL 65 -12.985 26.263 1.357 1.00 54.22 ATOM 1029 CG2 VAL 65 -14.548 24.358 2.526 1.00 43.14 ATOM 1030 HG21 VAL 65 -13.507 24.351 2.822 1.00 50.53 ATOM 1031 HG22 VAL 65 -14.923 23.346 2.519 1.00 41.41 ATOM 1032 HG23 VAL 65 -15.117 24.948 3.231 1.00 43.52 ATOM 1033 C VAL 65 -16.259 25.651 -0.709 1.00 5.15 ATOM 1034 O VAL 65 -16.517 26.848 -0.851 1.00 33.15 ATOM 1035 N ARG 66 -16.059 24.831 -1.740 1.00 23.51 ATOM 1036 HN ARG 66 -15.830 23.891 -1.564 1.00 38.44 ATOM 1037 CA ARG 66 -16.163 25.296 -3.128 1.00 65.41 ATOM 1038 HA ARG 66 -15.478 26.126 -3.234 1.00 33.35 ATOM 1039 CB ARG 66 -15.733 24.188 -4.105 1.00 0.04 ATOM 1040 HB1 ARG 66 -16.100 24.428 -5.093 1.00 38.44 ATOM 1041 HB2 ARG 66 -16.171 23.251 -3.786 1.00 23.05 ATOM 1042 CG ARG 66 -14.217 24.009 -4.187 1.00 2.50 ATOM 1043 HG1 ARG 66 -13.850 23.697 -3.218 1.00 38.44 ATOM 1044 HG2 ARG 66 -13.769 24.956 -4.449 1.00 63.43 ATOM 1045 CD ARG 66 -13.808 22.969 -5.228 1.00 63.41 ATOM 1046 HD1 ARG 66 -12.787 23.167 -5.529 1.00 38.44 ATOM 1047 HD2 ARG 66 -14.454 23.064 -6.089 1.00 74.13 ATOM 1048 NE ARG 66 -13.889 21.599 -4.720 1.00 34.15 ATOM 1049 HE ARG 66 -13.505 21.423 -3.839 1.00 24.13 ATOM 1050 CZ ARG 66 -14.368 20.590 -5.397 1.00 42.04 ATOM 1051 NH1 ARG 66 -14.950 20.779 -6.536 1.00 60.13 ATOM 1052 HH11 ARG 66 -15.040 21.699 -6.905 1.00 0.30 ATOM 1053 HH12 ARG 66 -15.311 19.999 -7.046 1.00 45.05 ATOM 1054 NH2 ARG 66 -14.271 19.390 -4.926 1.00 21.25 ATOM 1055 HH21 ARG 66 -13.824 19.232 -4.047 1.00 1.31 ATOM 1056 HH22 ARG 66 -14.637 18.621 -5.443 1.00 43.31 ATOM 1057 C ARG 66 -17.577 25.805 -3.471 1.00 12.13 ATOM 1058 O ARG 66 -17.728 26.767 -4.228 1.00 74.30 ATOM 1059 N ASP 67 -18.610 25.172 -2.911 1.00 40.12 ATOM 1060 HN ASP 67 -18.443 24.384 -2.349 1.00 38.44 ATOM 1061 CA ASP 67 -19.990 25.632 -3.122 1.00 24.23 ATOM 1062 HA ASP 67 -20.100 25.856 -4.176 1.00 21.45 ATOM 1063 CB ASP 67 -20.994 24.537 -2.744 1.00 13.22 ATOM 1064 HB1 ASP 67 -20.934 24.350 -1.681 1.00 38.44 ATOM 1065 HB2 ASP 67 -20.743 23.630 -3.276 1.00 73.52 ATOM 1066 CG ASP 67 -22.430 24.919 -3.093 1.00 52.32 ATOM 1067 OD1 ASP 67 -22.782 24.898 -4.294 1.00 52.22 ATOM 1068 OD2 ASP 67 -23.216 25.221 -2.170 1.00 61.51 ATOM 1069 C ASP 67 -20.267 26.917 -2.324 1.00 51.11 ATOM 1070 O ASP 67 -20.917 27.838 -2.820 1.00 31.41 ATOM 1071 N ILE 68 -19.757 26.979 -1.092 1.00 1.33 ATOM 1072 HN ILE 68 -19.287 26.196 -0.733 1.00 38.44 ATOM 1073 CA ILE 68 -19.884 28.184 -0.258 1.00 52.11 ATOM 1074 HA ILE 68 -20.940 28.366 -0.102 1.00 24.14 ATOM 1075 CB ILE 68 -19.213 27.986 1.127 1.00 13.41 ATOM 1076 HB ILE 68 -18.168 27.760 0.962 1.00 41.15 ATOM 1077 CG1 ILE 68 -19.866 26.811 1.878 1.00 33.51 ATOM 1078 HG11 ILE 68 -19.772 25.913 1.283 1.00 38.44 ATOM 1079 HG12 ILE 68 -20.913 27.024 2.030 1.00 4.43 ATOM 1080 CG2 ILE 68 -19.293 29.270 1.958 1.00 21.05 ATOM 1081 HG21 ILE 68 -18.770 30.065 1.444 1.00 13.12 ATOM 1082 HG22 ILE 68 -18.835 29.106 2.923 1.00 35.43 ATOM 1083 HG23 ILE 68 -20.327 29.550 2.093 1.00 23.30 ATOM 1084 CD1 ILE 68 -19.249 26.531 3.236 1.00 22.45 ATOM 1085 HD11 ILE 68 -19.735 25.677 3.684 1.00 12.35 ATOM 1086 HD12 ILE 68 -19.377 27.392 3.876 1.00 12.54 ATOM 1087 HD13 ILE 68 -18.196 26.324 3.118 1.00 42.12 ATOM 1088 C ILE 68 -19.268 29.408 -0.961 1.00 30.24 ATOM 1089 O ILE 68 -19.826 30.508 -0.924 1.00 52.54 ATOM 1090 N ARG 69 -18.118 29.198 -1.608 1.00 14.32 ATOM 1091 HN ARG 69 -17.678 28.325 -1.515 1.00 38.44 ATOM 1092 CA ARG 69 -17.485 30.227 -2.444 1.00 42.03 ATOM 1093 HA ARG 69 -17.180 31.043 -1.802 1.00 11.04 ATOM 1094 CB ARG 69 -16.245 29.639 -3.141 1.00 1.33 ATOM 1095 HB1 ARG 69 -16.557 28.806 -3.758 1.00 38.44 ATOM 1096 HB2 ARG 69 -15.563 29.275 -2.385 1.00 65.00 ATOM 1097 CG ARG 69 -15.489 30.632 -4.021 1.00 64.14 ATOM 1098 HG1 ARG 69 -15.045 31.394 -3.392 1.00 38.44 ATOM 1099 HG2 ARG 69 -16.185 31.092 -4.706 1.00 41.12 ATOM 1100 CD ARG 69 -14.387 29.952 -4.826 1.00 32.23 ATOM 1101 HD1 ARG 69 -14.837 29.206 -5.469 1.00 38.44 ATOM 1102 HD2 ARG 69 -13.701 29.470 -4.141 1.00 71.51 ATOM 1103 NE ARG 69 -13.643 30.910 -5.645 1.00 51.25 ATOM 1104 HE ARG 69 -13.333 31.729 -5.207 1.00 13.42 ATOM 1105 CZ ARG 69 -13.378 30.755 -6.917 1.00 20.14 ATOM 1106 NH1 ARG 69 -13.735 29.682 -7.546 1.00 1.54 ATOM 1107 HH11 ARG 69 -14.222 28.958 -7.067 1.00 11.42 ATOM 1108 HH12 ARG 69 -13.520 29.585 -8.517 1.00 74.13 ATOM 1109 NH2 ARG 69 -12.737 31.672 -7.563 1.00 70.51 ATOM 1110 HH21 ARG 69 -12.445 32.504 -7.091 1.00 41.13 ATOM 1111 HH22 ARG 69 -12.549 31.551 -8.535 1.00 43.32 ATOM 1112 C ARG 69 -18.479 30.754 -3.496 1.00 45.13 ATOM 1113 O ARG 69 -18.677 31.963 -3.640 1.00 4.35 ATOM 1114 N ARG 70 -19.106 29.823 -4.215 1.00 25.33 ATOM 1115 HN ARG 70 -18.874 28.879 -4.068 1.00 38.44 ATOM 1116 CA ARG 70 -20.128 30.150 -5.217 1.00 42.22 ATOM 1117 HA ARG 70 -19.663 30.758 -5.981 1.00 23.10 ATOM 1118 CB ARG 70 -20.646 28.854 -5.859 1.00 71.11 ATOM 1119 HB1 ARG 70 -20.957 28.180 -5.073 1.00 38.44 ATOM 1120 HB2 ARG 70 -19.838 28.394 -6.410 1.00 64.31 ATOM 1121 CG ARG 70 -21.823 29.046 -6.813 1.00 12.05 ATOM 1122 HG1 ARG 70 -21.490 29.612 -7.672 1.00 38.44 ATOM 1123 HG2 ARG 70 -22.607 29.590 -6.304 1.00 2.14 ATOM 1124 CD ARG 70 -22.377 27.706 -7.287 1.00 62.52 ATOM 1125 HD1 ARG 70 -23.231 27.890 -7.924 1.00 38.44 ATOM 1126 HD2 ARG 70 -22.691 27.132 -6.425 1.00 14.23 ATOM 1127 NE ARG 70 -21.384 26.940 -8.037 1.00 74.35 ATOM 1128 HE ARG 70 -20.851 27.422 -8.704 1.00 1.24 ATOM 1129 CZ ARG 70 -21.176 25.659 -7.899 1.00 62.10 ATOM 1130 NH1 ARG 70 -21.820 24.969 -7.009 1.00 21.01 ATOM 1131 HH11 ARG 70 -22.484 25.415 -6.413 1.00 73.21 ATOM 1132 HH12 ARG 70 -21.655 23.989 -6.924 1.00 53.45 ATOM 1133 NH2 ARG 70 -20.291 25.080 -8.642 1.00 15.11 ATOM 1134 HH21 ARG 70 -19.778 25.619 -9.310 1.00 31.44 ATOM 1135 HH22 ARG 70 -20.120 24.101 -8.550 1.00 2.20 ATOM 1136 C ARG 70 -21.301 30.931 -4.601 1.00 22.54 ATOM 1137 O ARG 70 -21.746 31.931 -5.157 1.00 32.30 ATOM 1138 N ARG 71 -21.784 30.466 -3.448 1.00 32.42 ATOM 1139 HN ARG 71 -21.346 29.693 -3.033 1.00 38.44 ATOM 1140 CA ARG 71 -22.946 31.070 -2.776 1.00 22.31 ATOM 1141 HA ARG 71 -23.814 30.877 -3.392 1.00 64.33 ATOM 1142 CB ARG 71 -23.161 30.408 -1.405 1.00 53.10 ATOM 1143 HB1 ARG 71 -23.962 30.923 -0.892 1.00 38.44 ATOM 1144 HB2 ARG 71 -22.254 30.507 -0.823 1.00 53.10 ATOM 1145 CG ARG 71 -23.519 28.925 -1.481 1.00 33.11 ATOM 1146 HG1 ARG 71 -23.602 28.533 -0.477 1.00 38.44 ATOM 1147 HG2 ARG 71 -22.734 28.401 -2.007 1.00 44.55 ATOM 1148 CD ARG 71 -24.838 28.699 -2.210 1.00 53.11 ATOM 1149 HD1 ARG 71 -25.061 27.641 -2.209 1.00 38.44 ATOM 1150 HD2 ARG 71 -24.736 29.042 -3.231 1.00 64.11 ATOM 1151 NE ARG 71 -25.941 29.416 -1.567 1.00 75.15 ATOM 1152 HE ARG 71 -26.069 29.279 -0.607 1.00 23.54 ATOM 1153 CZ ARG 71 -26.762 30.219 -2.187 1.00 51.22 ATOM 1154 NH1 ARG 71 -26.626 30.450 -3.451 1.00 70.21 ATOM 1155 HH11 ARG 71 -25.895 30.015 -3.962 1.00 12.42 ATOM 1156 HH12 ARG 71 -27.255 31.077 -3.914 1.00 74.52 ATOM 1157 NH2 ARG 71 -27.718 30.793 -1.534 1.00 52.41 ATOM 1158 HH21 ARG 71 -27.832 30.620 -0.561 1.00 5.20 ATOM 1159 HH22 ARG 71 -28.341 31.417 -2.012 1.00 71.31 ATOM 1160 C ARG 71 -22.802 32.592 -2.603 1.00 44.41 ATOM 1161 O ARG 71 -23.645 33.363 -3.067 1.00 62.44 ATOM 1162 N GLY 72 -21.732 33.015 -1.937 1.00 14.32 ATOM 1163 HN GLY 72 -21.078 32.359 -1.610 1.00 38.44 ATOM 1164 CA GLY 72 -21.524 34.437 -1.680 1.00 43.43 ATOM 1165 HA1 GLY 72 -20.767 34.539 -0.916 1.00 38.44 ATOM 1166 HA2 GLY 72 -22.445 34.863 -1.309 1.00 50.22 ATOM 1167 C GLY 72 -21.083 35.222 -2.914 1.00 42.25 ATOM 1168 O GLY 72 -21.486 36.370 -3.103 1.00 72.30 ATOM 1169 N LYS 73 -20.258 34.605 -3.759 1.00 52.34 ATOM 1170 HN LYS 73 -20.020 33.667 -3.593 1.00 38.44 ATOM 1171 CA LYS 73 -19.690 35.294 -4.927 1.00 54.25 ATOM 1172 HA LYS 73 -19.317 36.252 -4.588 1.00 31.43 ATOM 1173 CB LYS 73 -18.516 34.486 -5.493 1.00 72.51 ATOM 1174 HB1 LYS 73 -18.895 33.556 -5.893 1.00 38.44 ATOM 1175 HB2 LYS 73 -17.830 34.263 -4.689 1.00 42.10 ATOM 1176 CG LYS 73 -17.742 35.202 -6.600 1.00 55.54 ATOM 1177 HG1 LYS 73 -17.496 36.200 -6.269 1.00 38.44 ATOM 1178 HG2 LYS 73 -18.365 35.258 -7.482 1.00 20.01 ATOM 1179 CD LYS 73 -16.453 34.462 -6.953 1.00 11.31 ATOM 1180 HD1 LYS 73 -15.959 34.987 -7.758 1.00 38.44 ATOM 1181 HD2 LYS 73 -16.701 33.460 -7.274 1.00 0.25 ATOM 1182 CE LYS 73 -15.503 34.379 -5.760 1.00 25.00 ATOM 1183 HE1 LYS 73 -14.643 33.790 -6.042 1.00 38.44 ATOM 1184 HE2 LYS 73 -16.013 33.894 -4.940 1.00 32.44 ATOM 1185 NZ LYS 73 -15.041 35.722 -5.314 1.00 2.21 ATOM 1186 HZ1 LYS 73 -15.853 36.357 -5.169 1.00 13.23 ATOM 1187 HZ2 LYS 73 -14.411 36.141 -6.027 1.00 43.55 ATOM 1188 HZ3 LYS 73 -14.517 35.643 -4.417 1.00 22.35 ATOM 1189 C LYS 73 -20.747 35.545 -6.017 1.00 44.44 ATOM 1190 O LYS 73 -20.805 36.631 -6.596 1.00 63.34 ATOM 1191 N ASN 74 -21.585 34.543 -6.282 1.00 71.11 ATOM 1192 HN ASN 74 -21.477 33.695 -5.802 1.00 38.44 ATOM 1193 CA ASN 74 -22.663 34.671 -7.275 1.00 65.13 ATOM 1194 HA ASN 74 -22.202 34.869 -8.234 1.00 75.24 ATOM 1195 CB ASN 74 -23.451 33.356 -7.364 1.00 14.45 ATOM 1196 HB1 ASN 74 -23.883 33.137 -6.397 1.00 38.44 ATOM 1197 HB2 ASN 74 -22.777 32.556 -7.635 1.00 20.34 ATOM 1198 CG ASN 74 -24.570 33.406 -8.390 1.00 60.32 ATOM 1199 OD1 ASN 74 -24.359 33.160 -9.574 1.00 10.15 ATOM 1200 ND2 ASN 74 -25.773 33.704 -7.943 1.00 61.13 ATOM 1201 HD21 ASN 74 -25.884 33.875 -6.986 1.00 31.52 ATOM 1202 HD22 ASN 74 -26.507 33.736 -8.589 1.00 74.31 ATOM 1203 C ASN 74 -23.602 35.842 -6.929 1.00 41.33 ATOM 1204 O ASN 74 -24.123 36.524 -7.816 1.00 21.41 ATOM 1205 N LYS 75 -23.786 36.076 -5.631 1.00 55.42 ATOM 1206 HN LYS 75 -23.355 35.479 -4.984 1.00 38.44 ATOM 1207 CA LYS 75 -24.606 37.187 -5.127 1.00 40.45 ATOM 1208 HA LYS 75 -25.639 36.981 -5.371 1.00 32.21 ATOM 1209 CB LYS 75 -24.454 37.265 -3.601 1.00 2.21 ATOM 1210 HB1 LYS 75 -23.414 37.441 -3.367 1.00 38.44 ATOM 1211 HB2 LYS 75 -24.747 36.315 -3.177 1.00 44.51 ATOM 1212 CG LYS 75 -25.283 38.356 -2.933 1.00 74.24 ATOM 1213 HG1 LYS 75 -26.330 38.108 -3.027 1.00 38.44 ATOM 1214 HG2 LYS 75 -25.088 39.298 -3.426 1.00 10.31 ATOM 1215 CD LYS 75 -24.934 38.490 -1.450 1.00 60.41 ATOM 1216 HD1 LYS 75 -25.604 39.207 -0.999 1.00 38.44 ATOM 1217 HD2 LYS 75 -23.916 38.843 -1.361 1.00 72.44 ATOM 1218 CE LYS 75 -25.062 37.157 -0.713 1.00 60.10 ATOM 1219 HE1 LYS 75 -24.430 36.426 -1.200 1.00 38.44 ATOM 1220 HE2 LYS 75 -26.090 36.829 -0.762 1.00 51.12 ATOM 1221 NZ LYS 75 -24.659 37.262 0.714 1.00 13.12 ATOM 1222 HZ1 LYS 75 -25.290 37.916 1.219 1.00 53.44 ATOM 1223 HZ2 LYS 75 -23.684 37.614 0.790 1.00 41.22 ATOM 1224 HZ3 LYS 75 -24.712 36.328 1.170 1.00 22.43 ATOM 1225 C LYS 75 -24.194 38.530 -5.761 1.00 0.44 ATOM 1226 O LYS 75 -25.023 39.252 -6.321 1.00 64.15 ATOM 1227 N VAL 76 -22.905 38.850 -5.675 1.00 42.34 ATOM 1228 HN VAL 76 -22.290 38.227 -5.231 1.00 38.44 ATOM 1229 CA VAL 76 -22.379 40.101 -6.227 1.00 4.12 ATOM 1230 HA VAL 76 -23.124 40.870 -6.064 1.00 4.15 ATOM 1231 CB VAL 76 -21.078 40.531 -5.498 1.00 25.25 ATOM 1232 HB VAL 76 -21.279 40.529 -4.436 1.00 74.25 ATOM 1233 CG1 VAL 76 -19.943 39.541 -5.757 1.00 53.35 ATOM 1234 HG11 VAL 76 -19.048 39.878 -5.253 1.00 60.33 ATOM 1235 HG12 VAL 76 -19.754 39.477 -6.819 1.00 75.32 ATOM 1236 HG13 VAL 76 -20.221 38.566 -5.382 1.00 33.43 ATOM 1237 CG2 VAL 76 -20.672 41.950 -5.893 1.00 61.21 ATOM 1238 HG21 VAL 76 -21.469 42.636 -5.644 1.00 43.44 ATOM 1239 HG22 VAL 76 -20.485 41.988 -6.956 1.00 14.44 ATOM 1240 HG23 VAL 76 -19.777 42.232 -5.358 1.00 23.01 ATOM 1241 C VAL 76 -22.119 39.981 -7.744 1.00 2.43 ATOM 1242 O VAL 76 -22.167 40.971 -8.477 1.00 60.34 ATOM 1243 N ALA 77 -21.853 38.761 -8.214 1.00 45.43 ATOM 1244 HN ALA 77 -21.791 38.008 -7.585 1.00 38.44 ATOM 1245 CA ALA 77 -21.633 38.516 -9.647 1.00 71.11 ATOM 1246 HA ALA 77 -20.833 39.170 -9.974 1.00 34.34 ATOM 1247 CB ALA 77 -21.190 37.076 -9.876 1.00 13.11 ATOM 1248 HB1 ALA 77 -21.980 36.404 -9.574 1.00 32.03 ATOM 1249 HB2 ALA 77 -20.304 36.873 -9.292 1.00 1.43 ATOM 1250 HB3 ALA 77 -20.973 36.925 -10.924 1.00 22.31 ATOM 1251 C ALA 77 -22.893 38.824 -10.474 1.00 62.41 ATOM 1252 O ALA 77 -22.805 39.227 -11.635 1.00 35.34 ATOM 1253 N ALA 78 -24.064 38.622 -9.869 1.00 3.55 ATOM 1254 HN ALA 78 -24.072 38.243 -8.963 1.00 38.44 ATOM 1255 CA ALA 78 -25.342 38.920 -10.526 1.00 45.22 ATOM 1256 HA ALA 78 -25.366 38.376 -11.461 1.00 15.51 ATOM 1257 CB ALA 78 -26.501 38.424 -9.665 1.00 22.11 ATOM 1258 HB1 ALA 78 -27.436 38.608 -10.175 1.00 32.21 ATOM 1259 HB2 ALA 78 -26.500 38.946 -8.719 1.00 71.33 ATOM 1260 HB3 ALA 78 -26.390 37.363 -9.487 1.00 33.10 ATOM 1261 C ALA 78 -25.502 40.424 -10.822 1.00 10.20 ATOM 1262 O ALA 78 -25.871 40.813 -11.933 1.00 10.20 ATOM 1263 N GLN 79 -25.224 41.264 -9.823 1.00 4.42 ATOM 1264 HN GLN 79 -24.931 40.896 -8.964 1.00 38.44 ATOM 1265 CA GLN 79 -25.354 42.725 -9.973 1.00 43.54 ATOM 1266 HA GLN 79 -26.297 42.917 -10.466 1.00 61.24 ATOM 1267 CB GLN 79 -25.374 43.408 -8.596 1.00 45.23 ATOM 1268 HB1 GLN 79 -26.194 43.001 -8.019 1.00 38.44 ATOM 1269 HB2 GLN 79 -25.537 44.467 -8.734 1.00 1.22 ATOM 1270 CG GLN 79 -24.091 43.225 -7.796 1.00 10.35 ATOM 1271 HG1 GLN 79 -23.263 43.612 -8.375 1.00 38.44 ATOM 1272 HG2 GLN 79 -23.941 42.170 -7.621 1.00 30.52 ATOM 1273 CD GLN 79 -24.120 43.937 -6.454 1.00 60.05 ATOM 1274 OE1 GLN 79 -24.515 43.371 -5.439 1.00 10.45 ATOM 1275 NE2 GLN 79 -23.712 45.188 -6.440 1.00 70.11 ATOM 1276 HE21 GLN 79 -23.419 45.590 -7.284 1.00 33.54 ATOM 1277 HE22 GLN 79 -23.717 45.662 -5.585 1.00 61.54 ATOM 1278 C GLN 79 -24.226 43.314 -10.841 1.00 13.23 ATOM 1279 O GLN 79 -24.413 44.320 -11.527 1.00 64.21 ATOM 1280 N ASN 80 -23.053 42.678 -10.812 1.00 44.22 ATOM 1281 HN ASN 80 -22.951 41.898 -10.226 1.00 38.44 ATOM 1282 CA ASN 80 -21.911 43.117 -11.629 1.00 0.41 ATOM 1283 HA ASN 80 -21.994 44.187 -11.769 1.00 41.10 ATOM 1284 CB ASN 80 -20.588 42.815 -10.910 1.00 74.21 ATOM 1285 HB1 ASN 80 -19.765 43.098 -11.551 1.00 38.44 ATOM 1286 HB2 ASN 80 -20.531 41.755 -10.708 1.00 0.01 ATOM 1287 CG ASN 80 -20.448 43.559 -9.595 1.00 33.12 ATOM 1288 OD1 ASN 80 -21.053 44.604 -9.386 1.00 21.42 ATOM 1289 ND2 ASN 80 -19.626 43.044 -8.703 1.00 1.03 ATOM 1290 HD21 ASN 80 -19.154 42.218 -8.927 1.00 52.40 ATOM 1291 HD22 ASN 80 -19.520 43.517 -7.851 1.00 42.12 ATOM 1292 C ASN 80 -21.911 42.439 -13.012 1.00 11.20 ATOM 1293 O ASN 80 -20.868 42.332 -13.662 1.00 22.10 ATOM 1294 N TYR 81 -23.082 41.999 -13.467 1.00 62.34 ATOM 1295 HN TYR 81 -23.892 42.159 -12.935 1.00 38.44 ATOM 1296 CA TYR 81 -23.192 41.279 -14.739 1.00 25.22 ATOM 1297 HA TYR 81 -22.434 40.508 -14.737 1.00 34.23 ATOM 1298 CB TYR 81 -24.567 40.607 -14.860 1.00 52.25 ATOM 1299 HB1 TYR 81 -25.333 41.369 -14.870 1.00 38.44 ATOM 1300 HB2 TYR 81 -24.720 39.964 -14.006 1.00 1.14 ATOM 1301 CG TYR 81 -24.725 39.763 -16.112 1.00 53.01 ATOM 1302 CD1 TYR 81 -23.934 38.635 -16.314 1.00 75.40 ATOM 1303 HD1 TYR 81 -23.208 38.361 -15.562 1.00 73.15 ATOM 1304 CD2 TYR 81 -25.653 40.097 -17.095 1.00 14.44 ATOM 1305 HD2 TYR 81 -26.278 40.967 -16.954 1.00 33.42 ATOM 1306 CE1 TYR 81 -24.063 37.867 -17.454 1.00 24.20 ATOM 1307 HE1 TYR 81 -23.437 36.994 -17.592 1.00 13.11 ATOM 1308 CE2 TYR 81 -25.790 39.329 -18.236 1.00 2.03 ATOM 1309 HE2 TYR 81 -26.516 39.605 -18.987 1.00 61.42 ATOM 1310 CZ TYR 81 -24.989 38.218 -18.413 1.00 31.00 ATOM 1311 OH TYR 81 -25.111 37.460 -19.558 1.00 3.14 ATOM 1312 HH TYR 81 -25.111 36.520 -19.321 1.00 31.40 ATOM 1313 C TYR 81 -22.942 42.199 -15.950 1.00 33.03 ATOM 1314 O TYR 81 -23.513 43.291 -16.056 1.00 1.23 ATOM 1315 N ARG 82 -22.080 41.734 -16.857 1.00 64.20 ATOM 1316 HN ARG 82 -21.641 40.876 -16.687 1.00 38.44 ATOM 1317 CA ARG 82 -21.754 42.458 -18.095 1.00 15.03 ATOM 1318 HA ARG 82 -21.261 43.380 -17.818 1.00 52.55 ATOM 1319 CB ARG 82 -20.783 41.611 -18.941 1.00 33.42 ATOM 1320 HB1 ARG 82 -19.881 41.444 -18.368 1.00 38.44 ATOM 1321 HB2 ARG 82 -20.526 42.163 -19.836 1.00 33.23 ATOM 1322 CG ARG 82 -21.343 40.246 -19.362 1.00 40.44 ATOM 1323 HG1 ARG 82 -22.034 39.903 -18.604 1.00 38.44 ATOM 1324 HG2 ARG 82 -20.526 39.542 -19.443 1.00 72.14 ATOM 1325 CD ARG 82 -22.073 40.308 -20.704 1.00 21.01 ATOM 1326 HD1 ARG 82 -21.340 40.286 -21.498 1.00 38.44 ATOM 1327 HD2 ARG 82 -22.628 41.234 -20.757 1.00 23.12 ATOM 1328 NE ARG 82 -23.002 39.195 -20.883 1.00 51.13 ATOM 1329 HE ARG 82 -23.511 38.906 -20.104 1.00 35.24 ATOM 1330 CZ ARG 82 -23.233 38.603 -22.019 1.00 30.25 ATOM 1331 NH1 ARG 82 -22.532 38.887 -23.069 1.00 43.23 ATOM 1332 HH11 ARG 82 -21.804 39.563 -23.014 1.00 33.31 ATOM 1333 HH12 ARG 82 -22.718 38.420 -23.929 1.00 23.32 ATOM 1334 NH2 ARG 82 -24.153 37.700 -22.091 1.00 75.12 ATOM 1335 HH21 ARG 82 -24.677 37.460 -21.275 1.00 71.12 ATOM 1336 HH22 ARG 82 -24.351 37.254 -22.963 1.00 53.11 ATOM 1337 C ARG 82 -23.018 42.798 -18.903 1.00 52.32 ATOM 1338 O ARG 82 -24.052 42.138 -18.772 1.00 32.30 ATOM 1339 N LYS 83 -22.932 43.817 -19.749 1.00 32.12 ATOM 1340 HN LYS 83 -22.083 44.302 -19.830 1.00 38.44 ATOM 1341 CA LYS 83 -24.079 44.239 -20.555 1.00 40.12 ATOM 1342 HA LYS 83 -24.915 44.363 -19.880 1.00 34.14 ATOM 1343 CB LYS 83 -23.798 45.588 -21.231 1.00 63.32 ATOM 1344 HB1 LYS 83 -22.954 45.475 -21.895 1.00 38.44 ATOM 1345 HB2 LYS 83 -23.548 46.315 -20.469 1.00 62.14 ATOM 1346 CG LYS 83 -24.976 46.131 -22.042 1.00 24.14 ATOM 1347 HG1 LYS 83 -25.171 45.455 -22.864 1.00 38.44 ATOM 1348 HG2 LYS 83 -24.710 47.102 -22.437 1.00 51.03 ATOM 1349 CD LYS 83 -26.254 46.273 -21.206 1.00 1.20 ATOM 1350 HD1 LYS 83 -26.445 45.337 -20.698 1.00 38.44 ATOM 1351 HD2 LYS 83 -27.078 46.489 -21.870 1.00 41.21 ATOM 1352 CE LYS 83 -26.165 47.388 -20.163 1.00 62.04 ATOM 1353 HE1 LYS 83 -27.138 47.511 -19.709 1.00 38.44 ATOM 1354 HE2 LYS 83 -25.889 48.305 -20.662 1.00 32.42 ATOM 1355 NZ LYS 83 -25.166 47.111 -19.092 1.00 30.20 ATOM 1356 HZ1 LYS 83 -25.260 47.810 -18.329 1.00 60.14 ATOM 1357 HZ2 LYS 83 -24.201 47.170 -19.474 1.00 22.14 ATOM 1358 HZ3 LYS 83 -25.313 46.161 -18.693 1.00 22.22 ATOM 1359 C LYS 83 -24.458 43.185 -21.609 1.00 64.33 ATOM 1360 O LYS 83 -23.716 42.935 -22.561 1.00 53.15 ATOM 1361 N ARG 84 -25.616 42.566 -21.416 1.00 51.42 ATOM 1362 HN ARG 84 -26.124 42.762 -20.605 1.00 38.44 ATOM 1363 CA ARG 84 -26.154 41.599 -22.374 1.00 63.41 ATOM 1364 HA ARG 84 -25.345 40.954 -22.692 1.00 31.45 ATOM 1365 CB ARG 84 -27.239 40.746 -21.698 1.00 43.04 ATOM 1366 HB1 ARG 84 -26.799 40.219 -20.863 1.00 38.44 ATOM 1367 HB2 ARG 84 -27.610 40.024 -22.412 1.00 2.32 ATOM 1368 CG ARG 84 -28.421 41.566 -21.181 1.00 64.33 ATOM 1369 HG1 ARG 84 -28.881 42.077 -22.016 1.00 38.44 ATOM 1370 HG2 ARG 84 -28.058 42.298 -20.472 1.00 71.11 ATOM 1371 CD ARG 84 -29.470 40.703 -20.494 1.00 21.10 ATOM 1372 HD1 ARG 84 -29.026 40.236 -19.626 1.00 38.44 ATOM 1373 HD2 ARG 84 -29.801 39.940 -21.184 1.00 13.22 ATOM 1374 NE ARG 84 -30.623 41.494 -20.072 1.00 51.30 ATOM 1375 HE ARG 84 -30.714 42.390 -20.449 1.00 44.34 ATOM 1376 CZ ARG 84 -31.536 41.085 -19.236 1.00 24.23 ATOM 1377 NH1 ARG 84 -31.461 39.910 -18.698 1.00 30.20 ATOM 1378 HH11 ARG 84 -30.701 39.306 -18.924 1.00 55.52 ATOM 1379 HH12 ARG 84 -32.159 39.614 -18.049 1.00 12.02 ATOM 1380 NH2 ARG 84 -32.522 41.866 -18.935 1.00 72.44 ATOM 1381 HH21 ARG 84 -32.573 42.777 -19.337 1.00 74.22 ATOM 1382 HH22 ARG 84 -33.238 41.553 -18.312 1.00 65.24 ATOM 1383 C ARG 84 -26.741 42.314 -23.603 1.00 53.21 ATOM 1384 O ARG 84 -27.536 43.246 -23.470 1.00 60.01 ATOM 1385 N LYS 85 -26.340 41.887 -24.795 1.00 14.52 ATOM 1386 HN LYS 85 -25.671 41.172 -24.846 1.00 38.44 ATOM 1387 CA LYS 85 -26.868 42.461 -26.037 1.00 63.33 ATOM 1388 HA LYS 85 -27.437 43.346 -25.778 1.00 4.22 ATOM 1389 CB LYS 85 -25.712 42.872 -26.963 1.00 13.45 ATOM 1390 HB1 LYS 85 -26.121 43.258 -27.887 1.00 38.44 ATOM 1391 HB2 LYS 85 -25.113 41.998 -27.184 1.00 55.34 ATOM 1392 CG LYS 85 -24.800 43.940 -26.355 1.00 13.31 ATOM 1393 HG1 LYS 85 -24.370 43.547 -25.443 1.00 38.44 ATOM 1394 HG2 LYS 85 -25.394 44.811 -26.120 1.00 74.33 ATOM 1395 CD LYS 85 -23.664 44.361 -27.295 1.00 33.42 ATOM 1396 HD1 LYS 85 -23.174 43.470 -27.667 1.00 38.44 ATOM 1397 HD2 LYS 85 -22.950 44.949 -26.734 1.00 32.01 ATOM 1398 CE LYS 85 -24.150 45.194 -28.485 1.00 13.25 ATOM 1399 HE1 LYS 85 -23.291 45.636 -28.973 1.00 38.44 ATOM 1400 HE2 LYS 85 -24.792 45.981 -28.120 1.00 23.34 ATOM 1401 NZ LYS 85 -24.904 44.387 -29.483 1.00 31.12 ATOM 1402 HZ1 LYS 85 -25.124 44.964 -30.319 1.00 63.13 ATOM 1403 HZ2 LYS 85 -25.797 44.047 -29.072 1.00 45.55 ATOM 1404 HZ3 LYS 85 -24.337 43.567 -29.781 1.00 64.40 ATOM 1405 C LYS 85 -27.811 41.470 -26.734 1.00 54.25 ATOM 1406 O LYS 85 -27.406 40.370 -27.126 1.00 21.23 ATOM 1407 N LEU 86 -29.072 41.869 -26.892 1.00 33.55 ATOM 1408 HN LEU 86 -29.314 42.789 -26.646 1.00 38.44 ATOM 1409 CA LEU 86 -30.111 40.977 -27.421 1.00 22.03 ATOM 1410 HA LEU 86 -29.970 40.012 -26.957 1.00 35.12 ATOM 1411 CB LEU 86 -31.510 41.496 -27.047 1.00 51.12 ATOM 1412 HB1 LEU 86 -32.238 40.933 -27.614 1.00 38.44 ATOM 1413 HB2 LEU 86 -31.576 42.534 -27.347 1.00 44.24 ATOM 1414 CG LEU 86 -31.889 41.402 -25.553 1.00 15.14 ATOM 1415 HG LEU 86 -31.708 40.394 -25.207 1.00 74.04 ATOM 1416 CD1 LEU 86 -31.037 42.341 -24.702 1.00 71.44 ATOM 1417 HD11 LEU 86 -31.318 42.242 -23.664 1.00 21.24 ATOM 1418 HD12 LEU 86 -31.195 43.361 -25.020 1.00 0.34 ATOM 1419 HD13 LEU 86 -29.993 42.086 -24.817 1.00 72.04 ATOM 1420 CD2 LEU 86 -33.374 41.699 -25.360 1.00 72.35 ATOM 1421 HD21 LEU 86 -33.634 41.577 -24.318 1.00 22.35 ATOM 1422 HD22 LEU 86 -33.961 41.017 -25.958 1.00 22.24 ATOM 1423 HD23 LEU 86 -33.584 42.716 -25.664 1.00 22.22 ATOM 1424 C LEU 86 -30.013 40.796 -28.945 1.00 12.22 ATOM 1425 O LEU 86 -30.885 40.175 -29.557 1.00 53.43 ATOM 1426 N GLU 87 -28.962 41.338 -29.556 1.00 64.32 ATOM 1427 HN GLU 87 -28.328 41.867 -29.031 1.00 38.44 ATOM 1428 CA GLU 87 -28.729 41.169 -30.995 1.00 71.01 ATOM 1429 HA GLU 87 -29.640 41.444 -31.510 1.00 32.20 ATOM 1430 CB GLU 87 -27.592 42.092 -31.474 1.00 42.43 ATOM 1431 HB1 GLU 87 -27.296 41.792 -32.471 1.00 38.44 ATOM 1432 HB2 GLU 87 -26.748 41.973 -30.812 1.00 30.35 ATOM 1433 CG GLU 87 -27.958 43.576 -31.514 1.00 4.21 ATOM 1434 HG1 GLU 87 -28.747 43.716 -32.241 1.00 38.44 ATOM 1435 HG2 GLU 87 -27.087 44.137 -31.825 1.00 42.25 ATOM 1436 CD GLU 87 -28.427 44.119 -30.172 1.00 53.22 ATOM 1437 OE1 GLU 87 -29.637 44.388 -30.018 1.00 74.12 ATOM 1438 OE2 GLU 87 -27.589 44.260 -29.259 1.00 74.00 ATOM 1439 C GLU 87 -28.405 39.705 -31.331 1.00 3.35 ATOM 1440 O GLU 87 -27.252 39.274 -31.261 1.00 54.41 ATOM 1441 N THR 88 -29.441 38.943 -31.663 1.00 33.05 ATOM 1442 HN THR 88 -30.336 39.344 -31.667 1.00 38.44 ATOM 1443 CA THR 88 -29.290 37.526 -32.020 1.00 74.51 ATOM 1444 HA THR 88 -28.515 37.103 -31.394 1.00 74.24 ATOM 1445 CB THR 88 -30.606 36.739 -31.767 1.00 33.03 ATOM 1446 HB THR 88 -30.880 36.861 -30.726 1.00 22.14 ATOM 1447 OG1 THR 88 -30.421 35.337 -32.033 1.00 71.40 ATOM 1448 HG1 THR 88 -31.190 34.997 -32.517 1.00 31.05 ATOM 1449 CG2 THR 88 -31.747 37.275 -32.629 1.00 51.10 ATOM 1450 HG21 THR 88 -31.486 37.180 -33.674 1.00 21.31 ATOM 1451 HG22 THR 88 -31.920 38.317 -32.395 1.00 63.15 ATOM 1452 HG23 THR 88 -32.645 36.709 -32.430 1.00 21.21 ATOM 1453 C THR 88 -28.879 37.368 -33.489 1.00 33.33 ATOM 1454 O THR 88 -28.959 38.318 -34.272 1.00 45.23 ATOM 1455 N ILE 89 -28.423 36.175 -33.860 1.00 75.03 ATOM 1456 HN ILE 89 -28.324 35.470 -33.185 1.00 38.44 ATOM 1457 CA ILE 89 -28.060 35.893 -35.252 1.00 12.02 ATOM 1458 HA ILE 89 -27.303 36.610 -35.546 1.00 52.01 ATOM 1459 CB ILE 89 -27.467 34.468 -35.407 1.00 34.13 ATOM 1460 HB ILE 89 -28.205 33.758 -35.059 1.00 64.45 ATOM 1461 CG1 ILE 89 -26.191 34.324 -34.557 1.00 43.13 ATOM 1462 HG11 ILE 89 -25.813 33.314 -34.655 1.00 38.44 ATOM 1463 HG12 ILE 89 -26.431 34.511 -33.519 1.00 3.23 ATOM 1464 CG2 ILE 89 -27.172 34.158 -36.876 1.00 43.34 ATOM 1465 HG21 ILE 89 -28.085 34.225 -37.448 1.00 45.33 ATOM 1466 HG22 ILE 89 -26.767 33.160 -36.963 1.00 22.45 ATOM 1467 HG23 ILE 89 -26.456 34.871 -37.260 1.00 51.42 ATOM 1468 CD1 ILE 89 -25.079 35.278 -34.950 1.00 44.21 ATOM 1469 HD11 ILE 89 -24.783 35.088 -35.971 1.00 74.53 ATOM 1470 HD12 ILE 89 -24.231 35.129 -34.298 1.00 71.03 ATOM 1471 HD13 ILE 89 -25.427 36.298 -34.860 1.00 21.15 ATOM 1472 C ILE 89 -29.277 36.049 -36.177 1.00 23.32 ATOM 1473 O ILE 89 -30.225 35.259 -36.111 1.00 11.31 ATOM 1474 N VAL 90 -29.241 37.072 -37.033 1.00 12.15 ATOM 1475 HN VAL 90 -28.434 37.630 -37.067 1.00 38.44 ATOM 1476 CA VAL 90 -30.364 37.393 -37.927 1.00 1.54 ATOM 1477 HA VAL 90 -31.184 37.731 -37.306 1.00 72.21 ATOM 1478 CB VAL 90 -29.999 38.543 -38.902 1.00 42.42 ATOM 1479 HB VAL 90 -30.844 38.711 -39.559 1.00 14.53 ATOM 1480 CG1 VAL 90 -29.737 39.839 -38.131 1.00 10.13 ATOM 1481 HG11 VAL 90 -28.931 39.684 -37.429 1.00 11.20 ATOM 1482 HG12 VAL 90 -30.629 40.130 -37.595 1.00 23.31 ATOM 1483 HG13 VAL 90 -29.465 40.624 -38.823 1.00 74.40 ATOM 1484 CG2 VAL 90 -28.790 38.173 -39.765 1.00 0.35 ATOM 1485 HG21 VAL 90 -29.016 37.287 -40.342 1.00 13.55 ATOM 1486 HG22 VAL 90 -27.939 37.979 -39.130 1.00 42.31 ATOM 1487 HG23 VAL 90 -28.561 38.989 -40.437 1.00 54.15 ATOM 1488 C VAL 90 -30.841 36.170 -38.731 1.00 1.40 ATOM 1489 O VAL 90 -30.036 35.388 -39.243 1.00 73.12 ATOM 1490 N GLN 91 -32.157 36.011 -38.823 1.00 54.44 ATOM 1491 HN GLN 91 -32.747 36.683 -38.422 1.00 38.44 ATOM 1492 HA GLN 91 -32.217 33.975 -39.186 1.00 52.12 ATOM 1493 CB GLN 91 -34.232 34.708 -39.100 1.00 13.11 ATOM 1494 HB1 GLN 91 -34.818 35.447 -39.629 1.00 38.44 ATOM 1495 HB2 GLN 91 -34.321 34.888 -38.036 1.00 1.12 ATOM 1496 CG GLN 91 -34.812 33.329 -39.398 1.00 14.21 ATOM 1497 HG1 GLN 91 -34.706 33.126 -40.454 1.00 38.44 ATOM 1498 HG2 GLN 91 -35.863 33.329 -39.137 1.00 44.30 ATOM 1499 CD GLN 91 -34.113 32.224 -38.615 1.00 53.31 ATOM 1500 OE1 GLN 91 -33.628 32.434 -37.505 1.00 55.04 ATOM 1501 NE2 GLN 91 -34.057 31.040 -39.185 1.00 1.23 ATOM 1502 HE21 GLN 91 -34.462 30.932 -40.070 1.00 41.00 ATOM 1503 HE22 GLN 91 -33.620 30.313 -38.696 1.00 12.11 ATOM 1504 CA GLN 91 -32.755 34.857 -39.507 1.00 51.05 ATOM 1505 C GLN 91 -32.630 34.980 -41.039 1.00 62.45 ATOM 1506 OT1 GLN 91 -31.890 34.175 -41.650 1.00 38.44 ATOM 1507 OT2 GLN 91 -33.258 35.889 -41.620 1.00 38.44 ATOM 1508 OH2 TIP3 1 -28.104 14.761 2.633 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -28.580 13.932 2.421 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -27.162 14.530 2.520 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -29.225 12.320 1.989 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.913 11.875 1.195 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -30.158 12.090 2.041 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -30.079 24.065 2.091 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -30.210 24.201 3.050 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -29.197 23.635 2.029 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -25.474 24.156 -12.048 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -25.334 24.257 -11.079 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -26.147 23.470 -12.118 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -27.832 26.859 -2.904 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.334 26.019 -2.819 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -26.970 26.584 -3.283 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -25.459 26.247 -4.317 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -24.599 25.868 -4.031 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -25.569 25.920 -5.231 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -24.970 22.247 1.485 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -24.309 22.576 0.833 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -24.626 21.359 1.747 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -27.967 17.480 2.764 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.511 17.738 3.511 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -28.100 16.507 2.693 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -25.349 23.503 -2.510 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -25.014 23.035 -3.277 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -24.663 24.187 -2.329 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -30.961 23.980 -0.520 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -31.913 23.891 -0.408 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -30.609 23.941 0.396 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -27.403 23.847 -0.749 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -26.607 23.629 -1.292 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -28.106 23.993 -1.412 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -27.471 23.241 1.862 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -27.554 23.327 0.883 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -26.680 22.668 1.981 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.008 21.253 14.112 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -28.213 21.157 14.669 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -29.693 20.726 14.578 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -32.094 23.827 12.021 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -32.390 23.739 11.091 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -31.156 23.534 11.999 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -35.755 24.321 8.967 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -35.489 24.402 9.915 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -36.307 23.538 8.943 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -29.530 22.132 17.159 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -30.108 21.419 16.834 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -29.669 22.862 16.521 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -29.459 22.891 11.919 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -29.433 22.128 12.535 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -28.540 23.234 11.930 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -28.921 19.817 8.802 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -29.825 19.991 9.135 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -28.615 19.050 9.324 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -31.094 20.277 15.655 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -31.818 20.946 15.733 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -31.557 19.450 15.480 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -32.464 23.633 9.307 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -31.525 23.832 9.083 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -32.965 24.364 8.904 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -26.306 22.806 9.383 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -25.468 22.975 8.935 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -26.937 22.616 8.655 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -31.192 26.797 8.121 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -31.266 27.777 8.197 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -32.119 26.489 8.134 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -31.566 20.847 9.280 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -31.712 21.804 9.394 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -32.448 20.492 9.139 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -28.294 22.156 7.625 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -28.528 22.063 6.696 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -28.499 21.270 8.019 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -35.708 19.386 2.873 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -35.838 18.717 3.553 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -36.268 19.097 2.144 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -26.678 24.274 14.584 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -26.665 24.196 13.604 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -26.085 25.030 14.772 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.770 23.716 9.227 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -29.208 23.182 8.620 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -29.567 23.362 10.112 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -39.961 24.609 12.503 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -40.789 24.116 12.536 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -39.280 23.929 12.436 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -26.776 23.488 11.938 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -26.639 23.384 10.967 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -26.273 22.735 12.326 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -27.121 22.453 18.294 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -28.049 22.420 17.950 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -27.185 22.072 19.177 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -27.918 17.625 10.338 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -28.480 16.847 10.424 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -27.659 17.840 11.268 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -24.843 16.186 12.110 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -23.894 16.137 12.267 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -24.920 16.407 11.162 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -32.104 24.440 14.675 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -32.152 24.245 13.711 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.145 24.378 14.884 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -33.034 22.153 15.945 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -32.808 23.015 15.534 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -33.734 22.366 16.569 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -29.422 23.839 15.007 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -28.521 24.218 14.981 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -29.349 23.017 14.479 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -34.317 21.764 2.903 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -33.467 21.398 3.162 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -34.907 20.981 2.842 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -30.342 32.859 -43.331 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -31.018 33.271 -42.736 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.868 32.489 -44.070 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -33.078 40.179 -39.277 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -33.904 39.882 -38.826 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -32.444 40.273 -38.558 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -30.198 33.043 -37.733 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -30.172 33.662 -36.985 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -30.135 33.618 -38.516 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -29.806 29.197 -43.940 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.418 28.389 -44.293 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.235 29.918 -44.306 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -36.528 31.940 -42.567 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -36.964 31.529 -41.792 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -35.856 31.286 -42.837 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -28.944 30.601 -37.822 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -29.663 30.071 -38.219 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -29.317 31.509 -37.769 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -34.808 36.019 -43.757 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -34.344 35.992 -42.878 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -34.084 36.124 -44.400 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -38.981 36.405 -40.466 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -38.279 36.465 -41.152 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -39.130 37.332 -40.195 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -32.434 29.870 -44.411 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -31.520 29.539 -44.309 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -32.328 30.705 -44.916 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -38.633 34.884 -38.253 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -38.641 35.371 -39.110 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -39.555 34.629 -38.121 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -31.264 29.379 -38.829 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -32.035 28.784 -38.709 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -31.222 29.514 -39.800 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.577 40.315 -41.544 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.209 40.150 -40.810 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.640 39.506 -42.098 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.816 37.875 -42.791 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.965 37.477 -43.672 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -32.311 37.278 -42.179 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -28.125 31.049 -45.038 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -28.451 31.778 -45.582 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -27.404 31.449 -44.512 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -28.310 33.966 -44.718 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -28.976 33.597 -44.094 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -27.456 33.645 -44.368 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -37.968 34.006 -43.540 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -37.431 33.272 -43.146 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -37.701 34.019 -44.466 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -38.218 39.031 -42.381 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -37.781 39.550 -43.062 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -37.882 38.117 -42.525 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -39.889 33.968 -41.531 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -39.296 33.945 -42.309 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -39.732 34.846 -41.139 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -36.864 36.294 -36.611 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -37.272 37.162 -36.725 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -37.402 35.699 -37.180 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -31.852 32.311 -45.579 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -31.412 33.033 -46.077 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -32.723 32.696 -45.318 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -38.222 31.741 -33.072 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -37.283 31.647 -32.802 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -38.597 32.359 -32.404 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -32.141 35.855 -44.605 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -31.546 35.439 -45.264 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -32.062 35.288 -43.818 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -38.415 39.979 -37.366 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -38.470 39.596 -38.268 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -39.239 40.462 -37.267 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -32.763 34.565 -35.940 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -32.959 33.853 -36.584 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -31.822 34.786 -36.103 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -35.029 26.142 -37.369 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -35.691 25.420 -37.461 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -34.442 25.834 -36.661 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -40.380 31.316 -41.135 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -40.230 32.282 -41.249 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -41.309 31.196 -41.340 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -34.081 33.259 -44.381 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -34.013 32.700 -43.581 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -34.504 34.076 -44.067 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -33.162 31.859 -42.133 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -32.761 32.726 -41.891 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -32.516 31.204 -41.820 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -34.986 29.691 -43.399 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -34.050 29.883 -43.642 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -35.370 29.340 -44.209 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -33.773 28.173 -38.849 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -34.209 27.389 -38.457 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -34.379 28.445 -39.578 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -37.798 30.698 -40.464 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -37.803 31.137 -39.581 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -38.740 30.742 -40.755 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -37.873 32.129 -38.117 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -38.011 33.084 -38.245 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -37.548 32.055 -37.197 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -36.915 31.968 -35.520 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -36.212 31.373 -35.230 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -37.597 31.895 -34.818 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -29.409 38.180 -48.218 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -29.143 37.235 -48.219 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -30.006 38.257 -48.965 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -37.260 36.470 -42.622 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -37.614 35.601 -42.913 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -36.341 36.478 -42.977 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -39.268 39.135 -39.892 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -40.170 39.375 -40.129 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -38.764 39.236 -40.737 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -30.376 34.544 -46.388 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -29.596 34.389 -45.810 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -29.989 34.908 -47.209 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -31.999 30.630 -36.330 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -32.470 31.348 -36.802 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -31.527 30.154 -37.040 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -34.111 36.911 -36.537 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -35.052 36.642 -36.553 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -33.645 36.125 -36.184 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -38.978 29.116 -32.999 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -38.804 30.078 -33.093 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -39.889 29.070 -32.698 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -36.494 28.052 -33.156 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -36.421 28.131 -34.128 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -37.427 28.305 -32.967 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -36.157 28.194 -35.947 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -36.697 28.782 -36.490 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -35.828 27.518 -36.581 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -32.788 34.067 -33.275 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -32.940 33.106 -33.390 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -32.850 34.425 -34.188 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -36.805 24.066 -37.179 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -36.539 23.143 -37.109 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -37.764 24.045 -37.098 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -34.334 26.637 -34.461 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -34.956 26.593 -33.718 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -34.707 27.324 -35.039 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -33.314 31.446 -33.930 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -32.593 30.922 -33.528 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -33.209 31.289 -34.887 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -30.802 29.417 -30.942 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -30.813 29.697 -31.873 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -31.565 28.808 -30.867 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -28.519 35.564 -48.234 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -27.950 35.120 -48.904 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -27.896 35.785 -47.502 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -26.994 36.431 -46.158 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -27.118 37.395 -46.059 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -27.067 36.089 -45.256 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -26.354 32.556 -43.414 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -26.600 32.046 -42.614 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -25.776 33.269 -43.074 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -31.450 29.570 -41.647 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -30.697 29.567 -42.271 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -32.198 29.269 -42.182 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -31.077 29.880 -33.788 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -31.232 30.112 -34.731 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -31.271 28.909 -33.745 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -29.243 38.492 -43.563 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -30.148 38.278 -43.245 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -28.715 37.700 -43.335 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -33.944 41.782 -33.989 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -34.107 42.677 -33.629 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -34.719 41.603 -34.547 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -32.011 46.577 -36.570 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -32.024 46.049 -35.745 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -32.319 45.954 -37.257 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -36.430 40.732 -35.516 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -37.012 40.563 -36.289 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -37.008 40.611 -34.757 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -30.795 43.604 -36.759 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -31.250 43.928 -35.955 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -31.312 43.993 -37.498 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -26.457 44.736 -37.447 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -26.368 45.591 -37.924 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -27.210 44.291 -37.895 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -35.523 29.149 -40.741 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -35.373 29.235 -41.705 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -36.390 29.584 -40.594 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -34.671 31.645 -28.775 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -33.698 31.695 -28.625 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -34.799 30.796 -29.227 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -30.466 35.639 -25.809 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -31.051 34.853 -25.943 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -29.560 35.301 -25.987 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.942 38.371 -24.022 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.839 38.757 -24.086 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.912 37.708 -24.756 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -31.487 36.460 -28.240 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -32.416 36.693 -28.103 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -31.127 36.355 -27.333 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -31.841 36.400 -19.431 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -32.337 36.115 -18.626 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.070 35.725 -20.106 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -35.214 34.459 -32.058 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -35.695 34.638 -32.901 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -34.269 34.478 -32.319 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -36.097 34.486 -34.625 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -36.368 33.656 -35.061 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -36.359 35.185 -35.256 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -26.648 34.294 -21.291 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -27.355 34.925 -21.521 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -26.455 33.831 -22.130 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -27.133 37.555 -27.694 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -26.888 37.480 -28.648 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -27.429 38.476 -27.595 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -34.825 36.568 -26.030 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -34.919 35.601 -26.140 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -34.614 36.890 -26.928 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -38.386 39.194 -19.232 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -37.941 39.570 -20.019 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -38.345 38.244 -19.370 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -31.065 34.136 -29.630 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -31.152 34.927 -29.054 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -30.766 34.496 -30.480 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -34.817 36.661 -21.807 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -34.958 37.135 -22.646 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -34.478 37.349 -21.200 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -31.867 27.350 -33.449 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.200 27.354 -32.531 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.594 26.944 -33.964 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.178 29.407 -31.120 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.359 30.307 -31.464 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.686 28.819 -31.722 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -35.564 31.753 -32.434 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -35.514 32.701 -32.194 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -34.775 31.610 -33.006 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -28.222 36.455 -22.087 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -28.438 36.943 -21.279 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -29.089 36.371 -22.553 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -33.023 27.795 -30.951 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -33.787 28.422 -30.984 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -33.327 27.083 -30.378 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -32.816 34.810 -21.501 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -33.177 33.918 -21.550 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -33.600 35.395 -21.620 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -31.992 31.966 -28.290 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -31.247 31.330 -28.220 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -31.644 32.677 -28.884 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -34.298 37.329 -28.662 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -33.908 38.094 -29.151 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -34.606 36.735 -29.361 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -25.902 33.311 -30.919 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -26.792 33.617 -31.219 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -25.686 32.576 -31.538 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -25.915 36.242 -23.684 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -25.799 35.268 -23.683 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -26.736 36.386 -23.167 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -30.718 36.233 -23.191 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -31.305 35.543 -22.831 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -30.657 36.022 -24.154 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -35.071 33.929 -27.003 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -35.627 34.243 -27.741 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -34.980 32.975 -27.170 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -34.469 40.495 -22.023 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -34.009 40.038 -21.286 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -34.311 39.918 -22.794 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -36.253 39.349 -27.957 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.630 38.612 -28.088 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -37.128 38.975 -28.227 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -32.228 38.540 -23.062 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -32.916 38.385 -23.731 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -31.610 37.788 -23.174 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -34.812 39.409 -37.404 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -34.536 38.547 -37.026 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -35.194 39.892 -36.646 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -36.158 33.850 -29.593 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -35.652 33.031 -29.392 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -35.786 34.158 -30.450 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -33.409 39.611 -29.887 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -33.845 40.440 -29.636 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -32.453 39.778 -29.715 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -36.902 41.027 -25.899 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -36.528 40.465 -26.612 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -37.138 40.390 -25.194 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -32.109 40.717 -32.247 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.734 40.199 -31.715 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -32.655 41.051 -32.998 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -33.240 38.506 -20.552 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -32.738 38.574 -21.397 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -32.721 37.871 -20.017 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -38.604 33.264 -30.801 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -39.276 33.423 -30.135 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -37.766 33.522 -30.364 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -32.186 39.426 -16.099 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -31.936 38.544 -15.757 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -31.431 40.000 -15.854 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -30.092 34.874 -13.868 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -30.309 33.950 -13.721 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -29.247 35.003 -13.380 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -38.733 38.553 -28.711 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -39.337 39.299 -28.480 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -39.274 37.973 -29.253 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -27.155 37.523 -14.225 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -27.498 38.426 -14.010 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -26.209 37.657 -14.353 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -27.753 35.345 -26.219 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -27.641 36.117 -26.816 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -27.143 35.519 -25.491 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -25.599 33.510 -23.708 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -25.490 33.447 -24.680 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -24.922 32.897 -23.354 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -28.335 33.841 -31.896 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -29.186 34.323 -31.828 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -28.583 32.970 -32.292 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -32.372 33.774 -26.254 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -32.182 33.076 -26.914 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -33.331 33.928 -26.342 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -28.560 36.855 -16.570 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -28.166 36.000 -16.786 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -28.122 37.114 -15.729 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -23.244 32.407 -22.727 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -23.263 31.447 -22.954 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -23.069 32.419 -21.756 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -29.006 31.421 -32.870 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -29.744 30.930 -33.284 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -28.546 30.757 -32.342 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -29.971 30.061 -28.398 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -30.151 29.886 -29.352 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -30.053 29.198 -27.981 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -35.049 41.664 -17.895 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -35.596 41.891 -18.677 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -35.672 41.729 -17.148 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -37.004 42.474 -19.643 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -37.800 42.368 -19.078 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -37.156 43.321 -20.120 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -37.538 39.381 -23.818 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -38.342 38.846 -23.828 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -37.475 39.704 -22.886 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -36.647 41.922 -29.070 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -37.464 42.181 -28.605 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -36.475 41.012 -28.762 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -31.113 33.681 -5.495 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -30.544 33.312 -6.215 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -31.839 34.105 -5.965 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -32.937 38.820 -5.286 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -33.448 38.387 -4.570 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -32.035 38.908 -4.911 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -29.654 30.238 -3.673 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -29.350 29.374 -3.368 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -29.931 30.080 -4.603 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -28.108 30.284 -7.196 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -29.051 30.380 -6.958 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -27.890 29.362 -6.932 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -28.508 33.258 -2.516 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -28.537 33.912 -1.794 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -28.496 33.802 -3.331 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -27.669 39.997 -6.364 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -27.817 40.951 -6.202 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -26.701 39.891 -6.312 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -30.932 40.274 -7.135 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -31.721 40.056 -6.613 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -30.190 40.037 -6.553 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -33.711 38.463 -7.855 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -34.549 38.933 -7.875 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -33.399 38.569 -6.926 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -31.915 37.137 -9.411 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -32.413 36.990 -10.223 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -32.560 37.583 -8.810 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -33.038 30.841 -1.217 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -32.580 31.285 -1.964 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.948 31.202 -1.247 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -27.787 40.118 -13.683 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -27.044 40.479 -13.159 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -28.578 40.278 -13.114 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -30.275 41.425 -15.469 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -29.907 42.102 -16.059 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -29.551 41.223 -14.854 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -29.580 42.159 -8.692 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -30.272 41.717 -8.158 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -29.214 41.447 -9.235 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -31.095 26.645 1.546 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -30.398 27.277 1.334 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -30.631 25.786 1.610 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -33.268 31.587 3.629 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -33.619 30.910 4.244 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -33.511 31.244 2.735 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -30.642 29.671 -6.163 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -30.767 28.870 -6.685 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -31.558 29.997 -5.997 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -35.602 32.045 -0.818 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -36.501 32.196 -1.176 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.356 32.903 -0.418 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -28.401 28.086 -0.435 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -28.257 27.767 -1.354 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -29.325 28.426 -0.441 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -29.638 42.023 1.667 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -28.712 41.860 1.962 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -30.178 41.897 2.485 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -28.052 34.515 -0.006 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -27.288 33.899 -0.060 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -27.741 35.226 0.601 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -35.576 35.904 -1.444 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -35.203 35.318 -0.755 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -36.506 35.976 -1.213 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -29.516 33.145 -7.617 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -29.581 34.100 -7.855 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -28.991 32.760 -8.334 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -34.234 30.787 1.266 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -35.000 31.147 0.783 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -33.595 30.569 0.562 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -31.063 37.292 1.452 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -31.641 37.996 1.087 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -31.434 37.114 2.347 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -26.744 30.743 -9.564 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -27.181 30.539 -8.711 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -27.123 31.598 -9.824 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -30.435 39.495 -9.721 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -30.760 38.579 -9.801 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -30.691 39.757 -8.812 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -31.900 38.197 -2.273 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -32.037 38.505 -1.357 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -32.753 37.804 -2.523 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.769 34.272 0.706 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -35.092 34.141 1.616 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -33.825 34.466 0.816 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -29.779 40.787 -12.035 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -30.036 41.703 -11.812 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -30.052 40.265 -11.248 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -32.389 39.436 0.242 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -32.698 39.830 1.085 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -32.242 40.205 -0.344 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -29.755 35.784 -8.188 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -30.476 36.252 -8.657 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -29.436 36.437 -7.529 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -41.138 41.938 -19.737 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -42.048 41.773 -19.992 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -40.748 42.400 -20.515 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -30.996 28.972 -0.432 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -31.613 28.273 -0.175 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -31.575 29.699 -0.743 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -34.421 37.350 -3.434 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -35.039 37.099 -4.127 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -34.741 36.859 -2.639 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -26.074 32.598 0.005 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -25.872 31.808 0.559 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -25.994 32.276 -0.904 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -31.743 31.958 -3.396 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -31.534 32.720 -3.979 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -30.894 31.460 -3.341 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.387 39.130 -4.360 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.096 40.042 -4.135 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -30.710 38.763 -3.504 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -33.089 35.955 -17.065 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -32.387 36.259 -16.451 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -33.903 36.070 -16.568 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -33.423 40.114 2.802 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -33.592 39.361 3.411 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -34.235 40.631 2.837 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -29.572 37.817 -18.969 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -29.179 37.506 -18.127 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -30.313 37.190 -19.135 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -34.839 33.305 6.431 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -34.412 33.770 7.191 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -35.632 32.895 6.819 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -31.099 36.915 -15.435 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -30.262 36.997 -15.935 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -30.893 36.248 -14.741 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -30.714 34.688 0.769 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -29.947 34.757 0.171 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -30.923 35.623 0.995 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -27.680 35.197 -12.635 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -26.832 34.735 -12.485 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -27.425 36.037 -13.064 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -38.164 32.748 -1.740 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -38.484 32.275 -2.515 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -38.951 33.162 -1.372 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -32.602 25.896 3.687 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -33.342 25.333 3.357 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -32.204 26.272 2.868 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -30.212 25.084 4.749 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -31.102 25.404 4.478 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -30.196 25.217 5.709 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -29.839 43.924 -2.158 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -30.168 44.022 -1.242 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -29.027 44.445 -2.172 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -25.635 44.325 -1.226 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -25.775 44.648 -0.311 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -26.134 43.474 -1.255 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -25.531 39.221 4.775 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -25.085 39.272 5.651 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -25.930 38.331 4.763 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -28.992 37.543 -6.146 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -28.390 38.281 -6.378 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -29.585 37.931 -5.467 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -27.135 42.071 -0.722 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -27.071 41.970 0.249 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -27.899 41.515 -0.968 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -27.901 33.359 -10.099 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -27.271 33.367 -10.851 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -28.453 34.142 -10.248 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -28.647 34.792 -4.827 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -29.576 34.528 -4.989 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -28.572 35.667 -5.248 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -27.174 32.275 -5.411 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -27.732 33.069 -5.324 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -27.566 31.787 -6.163 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -27.663 27.776 -6.128 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -27.224 27.016 -6.554 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -27.478 27.659 -5.187 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -25.713 33.357 -11.819 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -25.321 32.676 -12.377 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -25.155 33.351 -11.004 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -28.605 42.676 -6.139 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -28.268 43.596 -6.015 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -28.902 42.657 -7.071 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -29.453 40.534 -0.611 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -29.577 41.054 0.214 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -30.239 40.751 -1.146 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -29.345 24.546 -2.613 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -29.817 24.157 -3.355 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -29.952 24.409 -1.843 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -26.153 25.440 -6.894 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -25.766 25.300 -7.787 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -26.592 24.605 -6.695 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.075 30.572 -5.352 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -34.020 30.692 -5.233 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -32.673 31.056 -4.598 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -33.031 41.987 -15.417 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -33.167 41.056 -15.681 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -32.107 42.008 -15.096 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -27.722 25.524 3.594 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -27.570 24.716 3.078 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -28.576 25.370 4.036 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -28.586 38.234 0.678 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -29.453 37.875 0.961 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -28.819 39.015 0.132 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -37.355 32.236 7.105 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -37.547 32.745 6.284 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -38.225 32.003 7.446 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -32.436 30.968 10.557 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -33.031 30.594 11.244 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -31.566 31.002 10.985 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -32.024 36.242 9.689 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -31.213 36.071 9.201 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -31.741 36.237 10.633 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -34.240 29.870 12.323 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -34.181 30.009 13.275 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -35.181 29.614 12.174 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -33.178 38.393 8.262 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -34.015 38.021 7.919 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -32.826 37.692 8.843 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.775 36.064 12.120 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -30.601 36.868 12.622 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -30.956 35.383 12.814 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -29.571 29.187 15.021 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -29.839 28.892 15.899 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -29.530 30.167 15.100 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -36.702 25.597 13.473 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.407 26.166 13.103 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -36.649 25.860 14.397 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -33.506 34.060 8.674 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -33.156 34.868 9.099 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -33.075 33.335 9.151 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -32.776 31.420 6.850 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -33.277 32.247 6.730 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -33.247 30.774 6.286 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -27.992 34.170 14.584 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -27.944 34.305 13.607 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -27.386 34.844 14.948 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -30.725 34.232 14.137 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -30.980 33.373 14.500 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -29.785 34.328 14.395 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -31.299 41.807 3.789 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -31.329 41.913 4.758 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -31.999 41.156 3.598 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -25.349 30.441 20.319 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -25.661 29.852 19.601 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -24.390 30.573 20.124 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -32.804 27.120 14.315 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -33.292 26.988 13.480 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -32.610 26.214 14.626 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -28.427 30.853 17.844 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -28.631 31.026 18.768 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -27.673 30.227 17.878 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -34.776 24.431 2.964 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -35.627 24.481 2.521 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -34.564 23.466 2.970 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -34.230 29.639 5.406 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -34.880 29.779 6.128 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -34.172 28.665 5.327 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -33.636 27.168 11.734 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.969 28.090 11.711 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -34.373 26.639 11.379 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -35.594 27.903 9.461 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -35.670 28.570 8.752 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -34.924 27.279 9.130 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.629 28.624 11.895 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.379 28.306 10.999 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -37.426 28.105 12.119 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -38.868 27.091 12.497 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -39.316 26.212 12.489 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -39.579 27.719 12.328 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -37.181 35.447 7.268 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -37.403 34.977 6.443 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -37.340 34.797 7.960 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -28.296 34.627 11.924 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -28.027 34.285 11.059 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -29.168 35.029 11.763 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -35.541 37.602 7.032 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -36.188 38.274 7.272 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -36.032 36.753 7.129 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -25.828 34.025 17.325 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -25.963 34.655 16.589 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -25.045 34.387 17.808 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -27.015 36.331 1.788 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -27.577 37.114 1.582 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -26.868 36.387 2.755 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -31.687 29.456 8.405 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -31.997 30.144 7.784 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -31.867 29.841 9.288 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -32.078 36.513 3.864 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -32.823 37.100 4.117 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -31.744 36.183 4.701 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -31.229 42.404 6.555 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -31.580 43.231 6.908 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -30.312 42.385 6.856 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -29.373 31.899 15.486 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -29.033 31.637 16.370 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.803 32.651 15.225 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -35.643 30.128 7.726 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -35.072 30.546 8.388 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -36.310 30.814 7.518 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -33.839 26.026 8.175 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -34.019 26.377 7.275 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -34.593 25.411 8.348 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -25.215 26.657 15.107 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -25.158 26.868 16.064 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -25.773 27.367 14.736 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -32.819 40.176 6.260 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -32.278 40.953 6.489 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -32.891 39.675 7.106 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.962 38.253 4.798 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -34.602 37.902 5.451 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -33.482 38.961 5.296 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -37.829 33.913 4.994 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -38.521 34.234 4.403 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -37.063 33.741 4.397 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -35.460 33.381 3.680 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -35.160 33.577 4.593 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -34.878 32.654 3.396 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -25.762 35.820 15.173 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -25.443 35.977 14.261 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -25.216 36.433 15.722 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -26.129 33.055 20.056 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -26.004 32.081 20.032 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -26.192 33.314 19.113 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -23.683 29.998 22.534 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -24.558 30.031 22.102 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -23.080 30.375 21.864 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -25.014 31.473 16.852 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -25.541 32.296 16.960 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -24.123 31.789 16.665 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -26.161 29.281 17.982 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -25.634 28.456 17.884 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -25.670 29.951 17.451 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -24.681 26.968 17.794 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -25.072 26.071 17.903 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -23.782 26.879 18.182 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -34.990 24.602 11.545 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -35.578 24.884 12.282 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -34.179 24.303 11.988 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -34.311 26.811 5.569 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -35.100 26.374 5.225 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -33.590 26.510 4.968 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -27.072 29.715 28.408 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -27.912 30.118 28.636 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -26.702 30.302 27.711 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -26.990 33.704 22.589 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -27.810 34.159 22.381 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -26.634 33.443 21.712 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -25.647 33.591 24.939 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -26.083 33.519 24.053 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -25.997 34.409 25.306 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -26.984 25.241 28.329 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -27.778 25.603 28.722 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -26.384 26.008 28.248 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -32.117 44.847 -38.774 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -32.426 44.084 -39.321 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -31.801 45.488 -39.425 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -26.424 48.001 -36.439 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -25.603 47.566 -36.133 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -26.434 47.836 -37.402 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -28.492 46.196 -40.048 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -29.200 46.700 -39.585 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -28.625 45.273 -39.755 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -30.978 49.449 -33.482 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -31.217 49.136 -32.590 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -30.053 49.175 -33.591 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -28.596 48.474 -34.837 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -27.792 48.422 -35.405 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -29.305 48.748 -35.454 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -30.279 47.503 -38.506 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -30.860 47.095 -37.836 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -30.137 48.403 -38.173 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -31.447 48.073 -31.036 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -30.968 48.008 -30.182 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -31.178 47.267 -31.524 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -30.898 49.116 -36.226 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -31.137 49.492 -35.353 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -31.450 48.312 -36.298 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -31.964 44.829 -34.415 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -31.368 45.218 -33.737 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -32.755 44.560 -33.904 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -27.772 46.586 -33.083 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -28.033 47.333 -33.676 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -27.393 45.919 -33.694 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -28.700 43.660 -38.920 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -29.435 43.505 -38.304 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -28.870 43.027 -39.660 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -29.419 41.914 -40.907 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -28.794 41.657 -41.620 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -30.202 41.348 -41.067 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -32.686 42.694 -40.326 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -32.202 42.334 -41.086 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -33.081 41.907 -39.904 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -31.890 43.049 -30.718 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -31.690 42.214 -31.189 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.002 43.422 -30.492 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -32.826 45.846 -24.787 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -32.566 46.249 -25.636 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -33.796 45.888 -24.796 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -39.842 43.221 -21.763 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -39.381 43.008 -22.595 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -39.282 43.903 -21.354 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -30.504 47.853 -28.375 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -31.227 47.366 -27.939 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -30.470 48.709 -27.888 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -37.839 42.906 -23.669 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -37.590 41.973 -23.643 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -37.241 43.291 -24.342 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -27.786 50.076 -21.440 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.732 50.298 -21.363 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -27.740 49.518 -22.242 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -29.624 49.493 -18.839 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -28.834 50.020 -18.581 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -29.907 49.890 -19.691 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -28.085 47.553 -17.553 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -28.618 48.290 -17.902 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -28.154 47.647 -16.583 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -37.378 44.522 -21.398 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -37.343 43.991 -22.218 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -36.670 45.190 -21.517 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -31.313 44.211 -20.820 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -31.052 44.938 -20.218 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -31.125 44.566 -21.717 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -35.586 44.160 -30.212 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -36.305 44.780 -29.963 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -35.916 43.281 -29.909 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -35.227 46.972 -25.897 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -34.416 47.076 -26.430 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -35.922 46.840 -26.548 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -32.130 48.356 -18.524 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -31.282 48.830 -18.659 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -32.378 48.577 -17.598 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -32.921 46.732 -27.455 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -33.223 47.371 -28.148 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -33.043 45.848 -27.881 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -38.048 45.255 -26.399 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -37.216 44.942 -25.969 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -38.543 45.668 -25.680 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -30.673 45.482 -23.147 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -31.442 45.481 -23.766 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -29.891 45.533 -23.739 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -35.889 43.998 -25.282 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -35.396 43.801 -24.447 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -35.433 43.473 -25.954 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -35.260 46.186 -22.028 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -35.263 46.637 -22.883 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -34.678 46.741 -21.467 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -30.901 50.066 -26.792 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -30.514 50.277 -25.916 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -31.346 50.876 -27.053 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -33.848 44.089 -32.399 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -33.122 43.794 -31.809 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -34.600 44.241 -31.788 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -33.785 48.129 -29.609 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -32.978 48.233 -30.162 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -34.510 48.246 -30.229 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -23.660 47.910 -30.303 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -23.102 47.305 -30.834 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -24.568 47.747 -30.628 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -25.086 50.390 -21.260 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -25.007 50.256 -22.227 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -26.051 50.476 -21.117 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -33.257 44.408 -28.781 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -32.666 43.952 -29.417 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -34.132 44.401 -29.227 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -37.769 45.494 -29.165 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -38.659 45.483 -29.529 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -37.904 45.448 -28.196 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -33.761 48.081 -20.715 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -33.230 48.081 -19.883 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -34.269 48.898 -20.669 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -28.798 46.174 -25.115 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -29.282 45.760 -25.860 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -27.929 46.376 -25.484 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -34.850 43.324 -22.869 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -34.643 44.035 -22.243 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -34.588 42.508 -22.403 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -28.759 47.822 -14.836 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -29.636 48.195 -14.679 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -28.900 46.845 -14.792 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -30.518 50.373 -21.309 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -30.848 49.483 -21.573 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -30.784 50.950 -22.039 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -37.075 40.391 -21.355 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -37.178 41.182 -20.779 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -36.120 40.397 -21.593 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -32.426 49.228 -15.926 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -32.332 48.508 -15.259 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -33.018 49.859 -15.507 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -31.347 47.878 -22.036 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -31.200 46.961 -22.361 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -32.261 47.861 -21.684 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -32.777 44.161 -17.157 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -32.929 43.352 -16.629 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -33.573 44.687 -17.015 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -39.028 41.579 -18.041 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -39.885 41.788 -18.481 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -38.846 40.649 -18.311 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -37.137 42.162 -16.112 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -37.544 41.698 -15.372 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -37.820 42.128 -16.821 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -29.983 44.744 -27.286 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -30.943 44.847 -27.343 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -29.692 44.688 -28.229 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -29.166 51.191 -15.686 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -30.025 50.836 -15.945 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -28.643 51.179 -16.509 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -30.354 45.831 -32.338 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -30.201 45.295 -31.530 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -29.455 46.107 -32.616 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -28.979 48.367 -23.341 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.886 47.635 -23.986 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -29.796 48.147 -22.849 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -30.390 46.255 -19.200 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -31.171 46.802 -18.972 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -29.638 46.858 -19.085 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -40.326 40.676 -28.161 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -39.757 41.407 -27.831 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -41.207 41.055 -28.184 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -38.658 42.623 -27.250 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -38.075 42.113 -26.641 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -38.551 43.549 -26.961 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -26.401 46.907 -1.789 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -27.249 46.894 -1.293 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -26.036 46.007 -1.650 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -28.427 46.000 -0.236 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -27.743 45.805 0.435 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -29.220 45.531 0.086 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -29.976 41.797 -3.849 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -29.873 42.579 -3.256 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.519 42.067 -4.676 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -30.534 44.292 0.492 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -30.149 43.483 0.908 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -31.345 44.447 0.987 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -30.074 44.235 -17.237 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -29.936 44.876 -17.959 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -31.052 44.138 -17.192 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -35.095 43.775 -15.240 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -35.882 43.326 -15.618 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -34.405 43.076 -15.225 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -34.141 45.466 -13.393 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -34.498 44.931 -14.145 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -34.844 45.444 -12.736 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -26.470 48.636 -13.571 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -26.697 48.720 -12.635 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -27.321 48.400 -14.006 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -27.561 51.626 -13.469 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -28.209 51.957 -12.841 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.073 51.504 -14.301 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -24.826 51.809 -13.043 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -25.791 51.812 -13.228 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -24.770 51.787 -12.084 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -28.095 44.891 -12.259 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -27.183 45.199 -12.276 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -28.395 44.972 -13.187 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -29.254 45.162 -14.808 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -30.074 44.966 -14.294 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -29.424 44.760 -15.690 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -32.217 47.352 -13.993 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -31.547 46.737 -13.652 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -33.064 46.880 -13.844 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -27.237 48.202 -5.701 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -26.592 47.615 -5.249 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -27.854 48.455 -5.007 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -26.928 41.730 2.025 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -26.350 42.410 2.432 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -26.399 40.908 2.072 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -27.710 45.250 -6.002 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -27.924 46.117 -6.366 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -26.933 45.416 -5.432 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -31.408 44.791 -13.231 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -31.177 44.225 -12.463 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -32.384 44.824 -13.221 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -26.077 45.487 1.249 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -25.286 46.058 1.229 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -25.904 44.862 1.983 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -31.830 41.402 -1.831 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -31.267 41.407 -2.636 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -32.384 42.183 -1.929 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -30.139 43.403 -11.163 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -29.990 43.234 -10.212 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -29.375 43.968 -11.430 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -9.128 -0.118 -6.397 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -9.962 -0.205 -6.897 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -9.095 0.833 -6.154 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -19.031 3.780 -6.950 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -19.295 4.113 -6.086 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -19.777 3.988 -7.525 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -8.944 2.519 -5.787 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -9.833 2.698 -6.170 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -8.677 3.386 -5.393 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -13.947 2.160 -6.696 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -14.841 2.474 -6.939 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -14.097 1.601 -5.905 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -12.973 -1.389 -5.932 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -12.791 -2.309 -6.185 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -12.445 -0.859 -6.567 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -7.228 -4.393 -1.968 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -7.767 -3.963 -2.667 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -7.479 -5.339 -2.027 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -11.802 -3.411 -7.600 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -11.351 -3.966 -8.255 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -11.652 -2.505 -7.912 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -10.327 -4.707 0.694 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -10.494 -5.604 1.039 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -10.474 -4.792 -0.277 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -13.044 2.275 -2.975 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -12.684 2.975 -3.566 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -13.511 1.662 -3.586 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -7.360 -1.007 -9.212 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -7.536 -0.440 -9.996 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -6.694 -0.506 -8.701 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -12.989 -5.919 2.796 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -13.245 -6.562 3.464 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -12.287 -6.371 2.285 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -9.090 -3.674 -3.874 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -9.750 -3.936 -3.202 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -9.404 -4.103 -4.695 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -11.942 1.000 -0.825 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -12.576 1.552 -0.334 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -12.134 1.204 -1.763 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -8.857 -6.519 -11.003 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -9.312 -6.916 -11.755 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -8.161 -5.955 -11.411 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -10.091 -4.994 -6.165 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -9.699 -5.034 -7.057 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -10.916 -4.483 -6.294 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -10.540 -5.232 -2.000 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -9.787 -5.849 -2.091 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -11.279 -5.688 -2.464 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -14.347 0.450 -4.536 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -15.032 -0.058 -4.092 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -13.793 -0.238 -4.988 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -10.315 3.233 -9.179 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -11.056 2.656 -9.446 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -10.503 3.434 -8.241 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -10.019 -1.190 -13.042 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -10.551 -0.912 -13.798 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -10.666 -1.521 -12.403 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -13.971 -7.646 -5.433 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -14.243 -7.069 -6.156 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -14.758 -8.160 -5.230 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -10.494 6.895 1.012 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -11.417 6.554 1.008 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -10.560 7.762 0.571 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -10.091 -0.683 0.249 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -10.786 -0.306 -0.339 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -10.567 -1.378 0.764 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -7.966 0.108 -11.682 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -8.820 -0.111 -12.110 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -7.830 1.059 -11.891 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -11.626 -2.468 1.656 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -11.189 -3.306 1.392 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -12.528 -2.740 1.912 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -7.291 -2.323 -12.700 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -7.374 -1.454 -12.250 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -8.086 -2.373 -13.252 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -12.088 -6.961 -3.490 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -12.810 -7.204 -4.104 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -11.279 -7.267 -3.943 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -7.778 -3.445 0.622 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -7.541 -3.867 -0.230 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -8.665 -3.810 0.828 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -8.373 -6.868 -2.584 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -7.796 -7.627 -2.440 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -8.827 -7.071 -3.437 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -9.749 -7.403 -4.864 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -9.847 -6.582 -5.394 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -10.030 -8.122 -5.478 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -12.751 1.844 -9.150 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -13.468 2.196 -9.720 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -13.092 1.971 -8.240 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -15.773 6.500 1.794 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -15.996 7.064 2.563 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.192 5.657 1.993 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -13.637 3.229 -0.465 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -14.608 3.372 -0.437 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -13.453 3.022 -1.410 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -12.862 5.584 0.785 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -13.697 5.917 1.158 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -13.103 4.714 0.394 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -12.003 4.453 -4.257 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -11.606 4.801 -3.426 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -12.560 5.197 -4.582 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -11.476 -0.295 -7.942 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -11.880 0.469 -8.411 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -10.954 -0.754 -8.637 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -9.865 4.388 11.402 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -9.573 3.594 10.894 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -9.288 4.398 12.173 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -8.940 2.319 9.918 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -9.349 1.492 9.589 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -8.565 2.727 9.128 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -12.391 2.887 7.352 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -12.971 3.557 7.773 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -12.654 2.042 7.772 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -13.695 5.099 8.419 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -13.487 6.030 8.190 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -13.313 4.985 9.324 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -16.001 7.517 6.421 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -16.346 7.708 5.521 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -16.170 6.555 6.542 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -7.397 -0.858 -0.369 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -7.256 -1.771 -0.040 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -8.374 -0.740 -0.314 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -14.654 0.199 6.345 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -15.277 0.950 6.388 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -14.880 -0.255 5.515 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -11.020 2.943 4.700 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -11.872 2.908 5.163 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -10.369 2.718 5.388 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -12.751 0.208 8.240 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -13.196 -0.229 8.972 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -13.385 0.120 7.487 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -9.709 2.775 7.135 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -10.661 2.935 7.339 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -9.555 1.856 7.447 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -14.151 -3.497 2.484 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -13.671 -4.342 2.671 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -14.953 -3.781 2.031 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -10.002 6.185 18.115 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -10.664 6.320 17.419 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -9.790 5.221 18.061 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -16.545 1.083 3.811 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -16.952 1.169 2.944 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -15.971 0.291 3.729 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -14.751 -1.021 3.711 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -14.686 -1.954 3.419 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -13.888 -0.648 3.493 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -6.302 1.355 0.892 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -6.652 0.577 0.405 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -6.435 1.118 1.829 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -16.181 4.893 7.226 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -15.310 4.852 7.677 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -16.296 3.996 6.845 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -6.533 3.999 16.420 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -6.319 4.654 15.729 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -6.107 3.191 16.113 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -8.930 3.745 17.827 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -8.546 3.303 18.595 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -8.180 3.837 17.205 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -9.981 0.302 8.300 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -9.699 -0.445 7.725 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -10.959 0.215 8.341 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -7.383 -0.484 2.687 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -6.872 -1.323 2.706 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -8.279 -0.761 2.454 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -10.002 -9.569 2.923 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -9.078 -9.600 3.192 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -10.386 -10.372 3.292 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -6.916 8.318 14.171 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -6.715 7.577 14.757 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -6.273 8.229 13.438 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -12.446 7.773 16.389 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -12.205 7.941 17.323 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -12.436 8.662 15.979 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -16.581 2.302 6.245 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -16.554 1.999 5.308 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -17.493 2.150 6.516 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -18.806 22.838 -14.080 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -19.740 22.805 -13.791 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -18.418 22.013 -13.737 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -19.295 25.323 -15.088 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -19.125 24.399 -14.791 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -18.428 25.635 -15.389 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -15.026 18.331 -7.914 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -14.229 18.016 -7.426 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -14.847 18.086 -8.841 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -17.759 19.955 -6.910 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -18.007 19.168 -6.380 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -18.178 19.803 -7.777 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -23.334 21.029 -7.031 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -23.352 20.148 -6.647 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -22.808 21.563 -6.392 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -11.415 9.041 -1.220 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -11.001 9.939 -1.138 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -11.230 8.778 -2.145 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -13.713 12.030 -6.003 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -12.829 11.619 -6.089 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -13.637 12.588 -5.196 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -19.937 13.879 -8.307 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -20.493 13.435 -7.629 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -19.290 13.209 -8.555 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -13.813 10.304 -0.436 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -13.016 9.823 -0.752 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -14.110 10.815 -1.216 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -16.431 16.194 -6.968 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -16.024 16.973 -7.398 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -17.181 16.566 -6.466 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -10.972 11.634 -5.436 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -11.031 11.801 -4.459 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -10.270 10.970 -5.518 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -18.456 17.572 -5.618 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -18.421 17.165 -4.742 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -19.247 17.167 -6.038 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -13.168 17.233 -6.321 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -13.283 16.270 -6.448 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -12.276 17.321 -5.951 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -11.497 15.774 -3.867 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -10.596 15.869 -3.491 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -11.348 15.318 -4.723 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -24.633 16.394 -6.962 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -24.192 15.676 -6.450 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -25.571 16.263 -6.792 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -19.382 14.885 -4.271 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -19.150 13.970 -4.521 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -19.873 15.228 -5.041 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -14.430 17.052 -10.314 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -14.564 16.105 -10.183 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.452 17.149 -10.367 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -21.881 14.917 -0.446 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -22.774 15.285 -0.257 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -21.862 14.080 0.050 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -21.787 22.643 -5.481 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -20.998 22.471 -4.951 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -22.232 23.396 -5.014 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -13.826 24.419 -11.997 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -14.160 24.238 -11.092 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -12.912 24.749 -11.849 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -21.641 18.455 1.325 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -20.681 18.447 1.394 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -21.864 17.580 0.986 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -16.230 4.087 -0.558 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -16.856 3.900 -1.266 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -16.277 5.044 -0.444 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -13.283 13.534 -3.813 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -12.515 13.009 -3.456 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -12.948 14.450 -3.837 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -23.966 19.812 2.058 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -24.572 19.073 1.856 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -23.078 19.454 1.854 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -21.178 12.704 -6.132 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -20.381 12.496 -5.591 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -21.768 11.956 -5.978 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -18.866 12.083 -4.701 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -19.072 11.549 -3.899 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -17.966 11.792 -4.951 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -20.140 16.116 -9.903 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -20.023 15.247 -9.467 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -20.939 16.487 -9.480 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -14.057 14.639 -6.947 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -14.252 13.695 -6.793 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -14.941 15.072 -6.941 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -23.256 14.517 -5.578 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -22.999 14.717 -4.671 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -22.525 13.967 -5.918 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.424 18.868 -10.899 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -15.631 18.300 -10.771 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -17.123 18.237 -11.188 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -14.481 23.795 -9.408 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -14.535 22.814 -9.429 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -13.638 23.984 -8.944 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -22.436 17.003 -8.463 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -22.818 17.615 -9.101 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -23.207 16.719 -7.915 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -20.457 16.062 -6.666 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -20.144 15.374 -7.286 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -21.202 16.486 -7.139 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -14.981 21.060 -9.579 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -15.553 20.421 -10.039 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -14.114 20.594 -9.509 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -12.601 19.701 -9.470 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -11.892 20.016 -8.900 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -12.275 18.840 -9.801 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -23.046 23.326 -0.196 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -23.187 24.094 -0.801 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -22.183 22.989 -0.443 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -19.703 19.565 -12.090 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -19.435 18.623 -12.099 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -18.940 20.032 -12.501 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -18.431 17.166 -11.718 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -18.337 16.426 -12.330 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -19.015 16.812 -11.000 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -16.217 9.200 0.652 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -15.999 8.269 0.822 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -15.395 9.572 0.273 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -18.563 20.138 -9.584 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -19.170 19.934 -10.319 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -17.704 19.783 -9.884 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -15.079 12.012 -2.428 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -14.425 12.592 -2.881 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -15.768 12.619 -2.134 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -16.798 22.495 -7.642 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -16.582 22.213 -8.543 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -17.207 21.700 -7.233 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -20.277 22.347 -9.105 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -19.575 21.689 -8.934 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -20.663 22.063 -9.963 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -21.518 21.388 -11.312 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -20.983 20.643 -11.679 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -22.394 21.007 -11.175 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -16.364 24.316 -15.454 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -16.342 23.638 -14.750 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -16.514 23.815 -16.261 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -17.373 20.721 -12.835 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -16.770 21.488 -12.967 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -16.840 20.087 -12.319 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -24.383 15.666 0.446 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -24.916 15.004 0.921 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -24.825 16.517 0.647 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -25.421 13.953 2.470 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -24.543 14.222 2.765 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -25.694 13.275 3.124 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -19.371 14.477 -1.525 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -20.248 14.804 -1.223 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -19.324 14.755 -2.465 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -21.685 12.247 0.654 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -22.173 11.703 0.026 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -20.745 12.124 0.399 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -16.103 11.097 -4.900 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -15.347 11.423 -5.433 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -15.818 11.234 -3.975 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -21.495 10.651 2.966 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -22.364 10.670 3.424 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -21.591 11.305 2.250 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -19.080 12.139 -0.211 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -18.285 12.214 0.326 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -19.136 13.007 -0.686 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -15.072 12.510 3.491 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -14.340 12.210 2.906 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -15.771 11.834 3.367 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -17.181 10.715 3.030 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -17.190 10.322 2.135 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -18.099 10.640 3.335 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -25.023 24.695 -9.342 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -24.603 25.559 -9.560 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -24.261 24.092 -9.167 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -23.030 22.894 -8.943 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -23.298 22.168 -8.333 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -22.063 22.803 -9.006 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -11.684 17.150 -10.165 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -11.319 16.912 -9.275 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -11.040 16.789 -10.786 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -10.523 16.481 -7.795 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -10.747 15.645 -7.341 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -10.120 17.032 -7.090 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -13.126 17.884 -2.939 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -13.512 17.456 -2.152 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -12.504 17.216 -3.296 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -11.371 14.335 -6.222 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -12.286 14.291 -6.567 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -11.136 13.397 -6.042 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -15.157 8.596 -5.759 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -15.325 8.753 -6.693 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -15.548 9.373 -5.313 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -15.113 3.042 -9.954 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -15.632 2.937 -9.133 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -15.506 3.805 -10.386 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -25.815 17.951 1.170 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -26.271 18.471 0.499 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -26.515 17.756 1.839 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -19.088 10.511 -2.432 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -19.141 11.052 -1.616 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -18.747 9.664 -2.130 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -13.318 6.792 -4.790 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -14.001 7.310 -5.271 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -13.222 7.255 -3.952 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -11.264 5.746 -1.981 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -10.987 6.571 -2.431 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -11.699 6.050 -1.173 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -16.595 2.638 -7.629 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -16.946 1.752 -7.777 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -17.384 3.167 -7.371 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -25.480 26.824 -12.624 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -25.468 25.850 -12.499 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -26.316 26.994 -13.075 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -15.922 23.007 -13.013 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -15.014 23.283 -12.765 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -16.486 23.704 -12.653 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -12.144 24.955 -8.440 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -11.945 25.154 -9.382 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -11.292 25.108 -7.984 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -23.432 24.706 -14.398 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -24.186 24.533 -13.815 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -22.751 24.069 -14.102 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -26.450 17.055 16.435 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -25.714 16.595 16.908 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -27.167 16.417 16.443 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -23.637 19.124 13.220 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -24.324 18.968 13.899 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -23.758 20.053 12.975 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -26.890 17.836 12.834 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -26.621 18.279 13.657 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -26.201 17.145 12.699 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -10.440 9.785 7.181 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -9.473 9.936 7.068 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -10.609 9.998 8.122 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -19.813 15.588 11.615 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -19.747 15.698 10.660 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -20.540 16.190 11.876 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -20.648 18.749 16.199 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -21.085 18.955 17.058 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -20.824 19.538 15.652 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -19.743 20.875 14.523 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -20.000 21.092 13.599 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -20.188 21.570 15.058 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -24.812 14.769 8.224 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -25.017 15.561 8.764 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -24.149 15.075 7.598 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -13.264 10.352 15.731 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -14.106 9.969 16.051 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -13.512 10.813 14.904 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -15.084 15.312 14.178 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -15.741 14.919 14.790 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -15.222 14.828 13.335 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -9.785 15.551 8.421 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -9.385 16.376 8.078 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -10.685 15.565 8.082 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -20.859 16.412 14.864 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -21.263 16.655 14.006 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -20.888 17.247 15.387 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -17.376 19.607 17.927 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -18.184 19.495 18.446 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -16.651 19.495 18.589 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -18.591 23.075 16.877 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -19.496 23.062 16.500 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -18.009 22.954 16.109 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -26.168 12.615 7.230 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -26.520 12.194 8.018 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -25.673 13.395 7.574 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -25.562 21.319 13.042 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -26.006 20.484 12.836 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -25.633 21.393 14.010 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -9.851 16.825 19.073 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -9.096 17.115 18.525 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -10.509 16.517 18.428 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -22.951 20.746 16.138 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -22.693 20.434 17.032 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -23.770 20.275 15.950 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -14.057 13.423 18.155 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.336 14.350 17.976 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -14.902 12.916 18.184 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -12.313 9.571 5.211 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -11.625 9.875 5.843 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -13.040 10.190 5.337 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -19.262 14.342 13.947 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -19.910 14.893 14.438 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -19.309 14.690 13.025 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -18.636 11.718 13.213 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -18.879 12.622 13.506 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -19.473 11.356 12.840 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -15.213 13.791 11.900 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -15.705 12.959 11.690 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -15.054 14.194 11.037 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -15.401 9.054 19.307 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -16.108 8.658 19.832 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.580 8.781 19.769 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -19.760 8.582 3.390 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -20.361 7.843 3.258 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -20.337 9.379 3.298 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -16.083 11.647 18.277 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -15.816 10.817 18.717 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -16.374 11.366 17.396 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -16.498 11.443 11.457 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -17.291 11.567 12.020 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -16.429 10.474 11.355 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -21.054 11.162 12.101 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -21.805 10.597 12.310 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -21.426 11.861 11.553 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -12.963 10.431 12.130 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -13.355 11.184 12.611 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -13.542 9.670 12.374 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -17.047 8.038 3.863 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -18.024 8.049 3.754 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -16.778 8.955 3.660 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -14.233 12.150 13.921 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -14.428 12.835 13.250 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -15.108 11.949 14.318 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -17.122 14.133 15.603 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -17.927 14.199 15.039 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -16.928 13.171 15.629 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -15.591 19.397 19.981 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -15.120 18.532 19.978 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -15.291 19.822 20.790 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -11.573 9.949 9.747 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -12.138 9.208 9.509 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -12.008 10.335 10.533 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -21.741 17.424 12.364 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -22.466 17.972 12.757 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -21.418 17.968 11.612 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -17.032 16.210 17.349 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -17.098 15.419 16.770 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -16.073 16.275 17.551 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -24.053 10.711 4.009 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -24.414 9.879 4.327 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -24.770 11.360 4.168 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -26.655 21.728 15.671 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -26.611 22.648 15.317 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -26.719 21.854 16.642 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -26.249 12.315 4.522 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -27.202 12.294 4.365 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -26.170 12.461 5.497 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -14.811 6.945 15.339 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -14.926 6.011 15.546 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -13.888 7.145 15.629 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -16.751 7.100 9.096 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -16.565 7.500 8.227 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -16.771 6.147 8.916 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -14.492 10.119 7.563 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -14.816 10.633 8.310 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -15.287 9.721 7.181 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -16.637 11.468 15.145 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -16.457 10.553 15.450 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -17.358 11.366 14.483 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -16.895 8.611 11.351 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -17.842 8.512 11.498 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -16.716 8.054 10.554 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -11.651 8.304 18.952 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -12.218 8.260 19.750 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -10.997 7.593 19.084 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -18.453 27.813 19.751 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -17.857 27.426 20.420 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -19.339 27.724 20.136 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -21.845 15.690 17.435 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -21.053 15.881 17.972 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -21.535 15.771 16.516 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -12.757 16.678 14.349 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -13.614 16.193 14.313 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -12.890 17.437 13.765 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -24.570 15.630 17.767 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -23.603 15.681 17.589 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -24.637 15.062 18.538 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -14.122 17.116 20.228 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -13.216 17.425 20.488 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -14.188 16.215 20.621 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -14.305 16.115 17.729 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -14.290 16.580 18.598 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -13.400 16.252 17.372 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -13.357 8.215 21.133 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -13.304 8.866 21.843 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -13.019 7.382 21.548 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -11.702 16.491 16.830 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -11.337 17.399 16.973 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -11.967 16.492 15.882 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -15.669 9.257 16.535 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -15.527 8.382 16.111 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -15.612 9.070 17.496 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.308 17.149 9.549 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -26.264 17.307 9.727 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -24.966 18.020 9.317 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -25.741 19.210 15.001 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -26.150 19.984 15.438 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -25.942 18.453 15.608 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -8.135 6.290 20.330 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -8.805 6.350 19.626 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -7.498 5.621 19.997 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -21.786 19.834 18.425 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -21.392 19.161 19.032 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -21.603 20.688 18.873 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -21.203 22.835 15.755 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -21.753 23.652 15.743 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -21.859 22.116 15.898 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -6.338 4.558 19.154 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -5.428 4.806 19.349 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -6.350 4.435 18.183 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -23.306 24.617 15.841 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -23.752 25.342 15.381 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -23.921 24.380 16.562 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.750 8.685 13.127 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.871 8.025 13.836 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -15.545 8.582 12.563 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -10.499 9.972 13.266 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -10.005 9.632 12.512 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -11.403 10.116 12.916 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -12.521 4.803 10.818 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -12.890 4.870 11.703 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -11.557 4.675 10.968 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -13.387 7.649 7.411 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -13.403 8.625 7.499 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -14.260 7.437 7.020 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -14.508 20.462 27.716 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -14.197 21.003 28.446 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -14.859 21.112 27.066 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -19.442 25.220 26.809 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -20.053 25.696 26.195 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -19.401 25.809 27.599 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -19.574 19.082 22.635 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -18.626 19.015 22.797 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -19.984 18.732 23.464 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -20.388 23.235 25.057 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -20.080 23.767 25.818 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -21.315 23.529 24.926 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -14.410 14.452 20.826 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -15.160 13.914 21.090 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -14.035 13.984 20.063 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -17.759 17.457 25.805 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -17.608 16.552 26.087 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -16.887 17.898 25.945 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -9.067 21.460 21.463 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -8.155 21.229 21.758 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -8.924 22.062 20.692 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -17.230 23.802 27.700 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -17.998 24.276 27.314 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -17.351 23.895 28.650 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -11.642 17.883 20.913 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -10.918 17.528 20.353 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -11.178 18.355 21.633 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -12.014 23.809 23.588 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -12.055 23.188 22.829 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -12.209 24.678 23.191 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -9.095 14.358 24.948 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -9.024 15.186 25.476 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -9.670 13.795 25.470 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -21.042 21.954 19.971 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -21.199 21.798 20.921 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -21.739 22.602 19.715 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -20.558 21.665 22.738 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -20.391 21.953 23.663 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -20.287 20.716 22.728 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -15.212 18.249 26.317 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -14.331 18.001 26.026 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -15.059 19.023 26.905 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -17.651 23.287 24.297 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -18.565 23.293 24.646 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -17.236 24.083 24.696 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -20.310 18.291 20.041 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -20.005 17.390 19.819 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -20.105 18.390 20.994 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -19.368 15.965 18.798 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -18.523 16.178 18.339 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -19.271 15.040 19.050 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -20.239 18.256 25.099 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -19.333 17.982 25.377 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -20.782 18.094 25.874 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -7.951 17.785 17.210 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -7.787 17.320 16.359 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -7.074 18.061 17.499 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -8.701 16.687 26.322 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -8.592 17.329 25.586 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -8.202 17.072 27.047 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -7.188 14.935 23.048 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -7.872 14.647 23.695 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -7.399 15.859 22.875 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -12.205 6.155 22.515 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -12.508 5.415 23.051 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -11.221 6.105 22.573 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -9.503 5.779 22.715 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -8.793 5.553 23.322 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -9.040 6.026 21.886 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -10.352 19.482 22.796 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -9.882 20.081 22.177 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -10.637 20.067 23.517 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -23.034 23.785 19.599 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -22.684 24.680 19.382 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -23.045 23.763 20.586 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -24.379 34.631 -38.645 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -24.857 33.781 -38.577 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -25.074 35.309 -38.506 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -26.020 38.797 -42.446 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -26.491 37.960 -42.637 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -26.713 39.484 -42.517 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -26.554 34.487 -49.840 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -26.038 35.017 -50.485 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -25.940 33.811 -49.545 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -25.221 34.854 -42.166 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -25.599 34.472 -41.341 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -24.286 35.046 -41.933 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -26.739 33.589 -40.301 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -26.883 32.633 -40.445 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -27.546 34.008 -40.668 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -20.987 33.886 -39.151 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -21.442 34.526 -38.571 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -20.094 33.810 -38.761 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -25.682 37.120 -38.016 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -24.900 37.523 -38.433 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -26.010 37.806 -37.409 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -22.797 31.757 -40.120 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.401 31.988 -39.386 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -22.032 32.344 -39.990 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -22.221 35.736 -37.433 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -22.353 36.548 -37.975 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -23.031 35.209 -37.601 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -23.047 37.530 -39.314 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -22.943 36.919 -40.069 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -23.389 38.361 -39.723 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.824 29.835 -40.407 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -24.384 28.986 -40.510 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.095 30.493 -40.466 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -24.696 31.809 -38.150 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -24.583 31.381 -37.277 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -25.256 31.192 -38.645 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -25.123 36.097 -51.505 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -24.645 36.161 -52.337 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -25.324 37.010 -51.274 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -22.821 35.181 -40.821 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -23.385 34.919 -40.060 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -21.969 34.742 -40.645 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -19.405 32.614 -35.241 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -19.552 33.149 -34.434 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -20.233 32.103 -35.340 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -27.134 31.028 -41.175 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -27.884 30.454 -40.978 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -26.346 30.493 -40.918 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -27.931 39.024 -45.981 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -28.469 38.896 -46.795 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -28.571 38.912 -45.251 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -19.793 41.455 -31.183 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -20.360 41.122 -30.457 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -19.181 40.715 -31.367 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -19.923 36.072 -35.944 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -20.806 36.018 -36.370 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -19.381 35.437 -36.447 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -22.037 31.782 -35.317 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -22.753 31.283 -35.757 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -22.290 32.709 -35.433 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -23.256 30.211 -33.283 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -22.882 29.793 -32.471 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -22.473 30.426 -33.820 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -18.747 33.982 -37.477 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -18.966 33.422 -36.692 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -17.832 33.760 -37.677 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -24.429 30.423 -35.786 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -25.360 30.117 -35.906 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -24.187 30.107 -34.895 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -22.085 29.162 -31.058 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -21.785 29.652 -30.285 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -22.135 28.249 -30.757 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -27.976 40.779 -42.883 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -27.529 41.115 -43.694 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -28.568 40.064 -43.213 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -26.413 41.145 -45.060 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -25.497 40.902 -44.835 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -26.763 40.364 -45.537 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -27.392 36.412 -42.899 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.531 35.953 -42.771 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -28.050 35.788 -42.516 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -27.029 29.730 -36.074 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -27.533 28.966 -35.773 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -27.631 30.173 -36.720 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -28.965 34.614 -41.549 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -29.492 34.947 -40.791 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -29.569 33.993 -42.002 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -24.410 39.561 -40.366 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -24.978 39.132 -41.037 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -24.500 40.514 -40.555 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -27.051 38.897 -36.121 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -27.642 38.742 -35.354 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -26.921 39.851 -36.129 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -24.998 42.131 -41.291 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -25.870 42.494 -41.486 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -24.722 42.598 -40.466 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -21.420 40.859 -44.102 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -21.289 41.691 -43.652 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -22.363 40.649 -43.951 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -24.112 40.546 -43.424 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -24.580 39.739 -43.126 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -24.329 41.213 -42.740 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -19.630 38.849 -23.971 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -19.551 39.779 -24.275 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -19.891 38.354 -24.774 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -26.600 32.903 -28.316 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -27.311 33.560 -28.281 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -26.247 32.979 -29.234 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -24.897 33.713 -26.386 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -25.535 33.316 -27.024 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -24.817 34.646 -26.683 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -19.850 37.252 -21.737 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -19.739 37.889 -22.472 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -19.340 37.644 -21.001 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -27.484 30.582 -27.136 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -28.356 30.433 -27.546 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -27.157 31.400 -27.564 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -22.188 33.524 -25.981 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -23.147 33.477 -26.179 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -22.101 33.077 -25.130 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -25.182 30.402 -25.588 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -24.846 31.107 -26.149 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -26.081 30.226 -25.942 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -20.715 35.279 -27.602 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -21.198 35.301 -28.467 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -21.171 34.573 -27.090 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -16.934 38.641 -22.856 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -17.748 38.418 -23.325 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -16.472 37.772 -22.755 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -21.800 35.582 -30.058 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -21.195 35.953 -30.733 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -22.668 35.538 -30.513 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -18.458 37.392 -15.918 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -18.658 36.723 -16.608 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -18.262 38.200 -16.426 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -18.148 39.332 -31.944 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -18.567 39.007 -32.766 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -17.913 38.512 -31.456 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -20.662 34.717 -21.678 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -20.248 35.618 -21.697 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -21.377 34.775 -22.339 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -17.424 31.929 -16.824 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -18.064 32.332 -16.193 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -16.552 32.070 -16.403 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -19.023 32.619 -20.928 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -19.650 31.950 -20.625 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -19.590 33.349 -21.258 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -24.171 35.319 -31.432 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -23.683 34.826 -32.129 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -24.828 34.667 -31.099 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -15.925 36.213 -22.813 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -16.203 35.401 -22.335 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -15.040 36.015 -23.116 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -22.811 33.477 -32.972 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -22.948 32.539 -33.150 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -21.840 33.589 -33.006 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -20.797 37.565 -26.112 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -21.644 37.269 -25.721 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -20.558 36.839 -26.732 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -16.453 33.819 -21.608 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -17.257 33.291 -21.749 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -16.374 33.873 -20.639 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -18.815 35.934 -18.289 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -18.163 35.235 -18.524 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -18.588 36.685 -18.880 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -23.013 35.074 -23.124 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -23.088 34.093 -23.166 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -23.556 35.318 -22.362 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -21.829 33.578 -16.502 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -21.578 33.975 -17.363 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -22.280 32.744 -16.750 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -17.229 39.173 -13.667 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -17.857 38.777 -14.296 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -17.380 40.131 -13.748 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -21.523 40.166 -26.493 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -20.849 40.697 -26.011 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -21.148 39.258 -26.506 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -18.135 36.009 -28.263 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -19.053 35.700 -28.096 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -17.691 35.900 -27.415 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -25.036 39.790 -28.169 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -25.975 39.866 -27.925 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -24.565 39.937 -27.331 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -18.476 38.380 -19.567 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -18.369 38.841 -18.708 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -18.365 39.096 -20.234 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -22.864 32.636 -19.991 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -22.967 31.952 -19.294 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -22.169 33.229 -19.638 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -19.505 38.101 -34.166 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -19.837 38.818 -34.717 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -19.531 37.311 -34.764 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -17.558 36.925 -30.761 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -16.746 36.443 -30.949 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -17.770 36.684 -29.825 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -26.009 37.162 -30.169 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -25.379 36.698 -30.753 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -26.320 37.922 -30.704 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -17.388 33.641 -18.970 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -17.340 33.014 -18.218 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -17.970 33.191 -19.619 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -21.578 40.662 -29.202 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -21.571 40.564 -28.225 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -22.261 40.046 -29.495 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -23.294 41.312 -32.354 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -23.169 40.586 -32.972 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -22.546 41.917 -32.538 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -25.731 31.343 -32.815 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -24.876 30.892 -32.967 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -26.174 31.311 -33.672 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -14.173 34.180 -13.487 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -14.480 33.666 -14.268 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -13.551 34.820 -13.855 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -19.983 36.480 -31.966 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -19.139 36.671 -31.504 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -19.981 37.095 -32.730 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -24.752 34.603 -19.415 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -24.144 33.844 -19.475 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -25.492 34.366 -20.019 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -20.076 33.861 -32.859 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -20.091 34.824 -32.663 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -19.577 33.480 -32.129 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -21.848 35.807 -14.725 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -22.042 35.069 -15.334 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -20.934 35.629 -14.419 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -19.895 30.707 -17.889 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -19.889 29.751 -17.655 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -19.022 31.030 -17.603 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -20.995 34.421 -18.984 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -20.256 34.949 -18.607 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -20.918 34.566 -19.951 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -14.920 32.333 -15.375 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -15.195 31.698 -14.679 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -13.956 32.177 -15.476 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -23.925 29.042 -13.216 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -24.448 28.225 -13.096 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -24.022 29.513 -12.365 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -19.385 33.048 -15.312 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -20.224 33.164 -15.809 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -19.230 33.928 -14.899 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -14.663 28.626 -12.771 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -14.969 27.759 -13.127 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -13.854 28.412 -12.294 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -22.887 29.155 -15.760 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -22.576 28.235 -15.817 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -23.271 29.223 -14.858 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -21.779 26.461 -15.808 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -20.951 25.958 -15.654 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -22.490 25.844 -15.525 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -20.056 28.004 -17.358 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -19.918 27.357 -18.053 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -20.733 27.596 -16.782 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -22.037 43.390 -30.106 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -21.129 43.746 -30.156 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.914 42.457 -29.853 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -24.668 36.342 -27.328 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -24.292 36.404 -28.221 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -25.532 36.803 -27.402 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -22.580 31.173 -17.650 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -21.617 31.015 -17.784 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -22.855 30.453 -17.037 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -23.526 29.826 -23.489 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -24.124 29.948 -24.262 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -23.695 28.925 -23.199 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -20.062 40.291 -15.254 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -20.457 39.477 -14.849 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -20.255 40.993 -14.602 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -16.484 41.537 -16.036 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -16.703 41.779 -15.104 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -15.600 41.151 -15.978 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -18.383 40.431 -21.336 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -17.694 40.053 -21.927 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -18.176 41.386 -21.303 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -17.174 43.302 -18.052 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -16.892 42.639 -17.391 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -16.843 44.137 -17.705 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -23.261 37.040 -25.070 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -23.150 36.234 -24.510 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -23.821 36.732 -25.823 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -20.978 26.224 -13.020 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -20.247 26.036 -13.644 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -21.714 26.494 -13.594 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -15.258 26.118 -13.630 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -15.589 25.587 -14.382 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -14.683 25.501 -13.135 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -17.443 39.383 -1.686 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -17.485 39.590 -2.639 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -16.801 40.024 -1.334 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -12.544 36.154 -4.747 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -12.166 36.011 -3.865 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -11.894 36.751 -5.192 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -12.277 33.403 -5.334 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -11.846 33.525 -4.457 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -12.388 34.314 -5.669 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -20.057 33.653 -10.747 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -20.330 33.225 -11.591 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -19.472 34.387 -11.030 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -16.040 30.860 -13.338 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -16.882 30.464 -13.597 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -15.478 30.084 -13.081 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -16.073 33.139 -11.755 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -16.127 32.281 -12.236 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -15.430 33.664 -12.282 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -16.128 38.228 -5.144 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -15.221 38.600 -5.085 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -16.706 38.979 -4.898 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -21.952 38.208 1.181 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -21.630 37.882 2.049 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -21.131 38.296 0.639 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -11.486 25.497 -11.101 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -11.552 26.479 -11.035 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -10.618 25.349 -11.527 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -16.514 41.399 -10.901 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -16.765 40.467 -10.865 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -15.525 41.382 -10.930 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -13.821 41.641 -10.996 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -13.647 42.574 -11.185 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -13.131 41.398 -10.347 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -12.123 32.318 -15.204 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -11.537 32.461 -14.435 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -11.519 32.090 -15.920 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -17.902 32.292 -9.739 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -18.721 32.795 -9.960 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -17.255 32.585 -10.409 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -18.685 27.184 -9.424 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -18.824 28.144 -9.587 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -17.773 27.126 -9.105 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -24.358 29.859 -10.576 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -24.378 28.949 -10.224 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -25.187 30.268 -10.227 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -19.279 29.894 -9.533 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -18.738 30.697 -9.689 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -20.203 30.198 -9.682 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -13.222 43.696 4.490 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -12.288 43.690 4.794 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -13.279 44.492 3.915 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -16.119 25.593 -8.031 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -16.724 24.972 -7.604 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -15.643 25.046 -8.689 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -14.031 33.438 -9.803 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -14.921 33.268 -10.152 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -13.434 33.117 -10.510 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -17.947 35.211 -11.632 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -17.420 36.042 -11.580 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -17.274 34.504 -11.657 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -12.636 32.441 -11.934 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -13.171 32.986 -12.545 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -11.727 32.487 -12.308 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -10.446 34.056 -8.692 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -10.361 33.591 -9.537 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -9.645 34.625 -8.654 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -16.394 37.443 -11.764 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -15.510 37.768 -11.574 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -16.708 38.013 -12.505 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -12.960 34.867 -7.780 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -12.019 34.757 -8.026 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -13.448 34.417 -8.507 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -17.342 30.645 -7.528 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -17.964 29.995 -7.880 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -17.325 31.346 -8.205 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -21.784 30.837 -10.133 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -21.763 31.804 -10.206 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -22.727 30.606 -10.278 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -15.867 41.477 -0.629 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -15.448 42.347 -0.446 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -16.365 41.280 0.188 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -25.071 39.588 2.131 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -24.200 40.008 2.110 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -25.249 39.452 3.095 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -21.231 37.307 3.810 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -21.107 36.577 4.457 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -20.763 38.072 4.224 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -21.457 38.414 -13.878 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -21.678 37.489 -14.131 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -22.006 38.584 -13.087 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -19.189 35.464 -14.096 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -18.767 35.507 -13.210 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.821 36.239 -14.577 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -20.660 32.277 -13.018 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -20.099 32.447 -13.802 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -21.437 31.835 -13.375 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -8.358 32.657 -15.061 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -7.766 33.050 -15.706 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -7.761 32.158 -14.457 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -9.864 41.349 -1.761 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -9.293 40.779 -1.201 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -9.835 42.219 -1.318 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -11.024 39.674 -3.618 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -10.613 40.382 -3.068 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -11.149 38.929 -2.989 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -10.240 32.902 -13.138 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -9.574 32.805 -13.857 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -9.728 33.305 -12.397 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -12.886 30.371 -10.155 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -12.418 29.608 -10.549 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -12.938 31.023 -10.887 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -11.362 28.204 -10.904 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -11.216 28.217 -9.926 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -10.592 28.706 -11.269 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -11.321 27.994 -8.210 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -10.660 27.352 -7.871 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -12.056 27.934 -7.580 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -9.151 25.623 -12.599 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -8.558 26.411 -12.532 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -9.612 25.747 -13.437 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -24.080 27.070 -10.237 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -24.484 27.026 -11.128 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -23.132 27.278 -10.411 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -13.653 39.374 -4.713 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -12.759 39.170 -4.382 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -13.978 40.073 -4.105 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -17.281 41.441 1.759 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -17.535 40.773 2.436 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -16.532 41.917 2.171 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -12.803 37.889 6.111 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -13.732 37.564 6.133 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -12.727 38.345 5.253 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -18.230 43.186 -3.742 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -18.059 44.114 -3.461 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -19.126 43.212 -4.097 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -12.094 44.312 0.743 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -12.967 44.050 0.398 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -12.304 44.853 1.529 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -21.351 23.401 -13.152 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -21.182 24.285 -12.774 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -21.463 22.820 -12.370 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -13.851 26.910 -7.157 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -14.750 26.569 -7.358 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -13.254 26.252 -7.562 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -21.557 27.793 -10.879 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -21.178 27.269 -11.620 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -21.356 28.713 -11.109 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -17.368 33.571 15.416 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -16.803 33.099 14.763 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -17.573 34.419 14.983 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -16.937 34.408 12.282 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -16.645 34.848 11.447 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -17.244 35.153 12.847 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -21.423 36.815 11.516 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -21.717 36.185 12.201 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -21.099 36.239 10.790 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -15.269 39.081 8.254 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -15.269 38.281 7.677 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -14.351 39.431 8.186 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -20.658 34.705 9.957 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -20.212 34.601 9.090 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -20.158 34.110 10.557 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -8.262 30.835 17.348 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -7.323 30.625 17.168 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -8.659 29.972 17.588 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -22.107 34.587 12.960 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -21.587 34.222 13.709 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -21.783 34.096 12.188 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -24.361 36.128 12.807 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -24.012 37.002 12.588 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -23.557 35.578 12.953 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -26.066 36.512 4.422 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -25.196 36.534 3.954 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -25.901 35.966 5.199 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -14.918 29.555 18.184 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -14.458 30.150 17.576 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -15.159 28.779 17.626 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -13.125 36.628 8.520 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -13.974 36.368 8.103 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -12.721 37.238 7.864 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -10.139 32.171 15.972 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -10.765 32.590 16.576 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -9.470 31.752 16.569 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -12.465 29.010 13.186 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -12.012 28.723 12.370 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -13.332 29.368 12.870 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -15.289 37.749 13.204 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -15.066 37.973 12.277 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -14.490 37.339 13.543 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -14.295 38.053 10.624 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -13.834 37.386 10.077 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -14.683 38.669 9.968 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -21.449 37.664 15.065 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -20.781 37.943 14.415 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -20.922 37.326 15.823 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -16.247 35.878 10.128 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -16.477 35.754 9.173 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -15.903 36.779 10.173 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -19.618 38.348 12.860 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -19.458 39.104 12.274 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -20.277 37.803 12.369 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -10.116 39.478 1.934 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -9.734 39.507 1.032 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -9.351 39.248 2.508 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -25.370 33.560 13.006 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -25.589 33.729 13.932 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -25.090 34.432 12.666 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -21.189 35.286 5.746 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -21.614 34.401 5.628 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.477 35.121 6.398 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -17.689 36.508 13.843 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -18.411 37.128 13.608 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -16.870 37.036 13.714 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -20.364 40.380 7.579 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -21.207 40.456 7.115 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -20.246 41.256 8.009 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -16.435 40.621 6.264 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -16.204 40.104 7.063 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -15.946 41.463 6.377 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -13.395 26.650 14.414 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -14.326 26.904 14.465 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -12.946 27.461 14.093 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -23.919 37.547 16.274 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -23.075 37.492 15.769 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -23.749 38.218 16.939 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -17.596 31.596 24.380 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -18.479 31.650 24.781 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.330 32.531 24.265 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -18.594 31.189 16.378 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -18.254 30.943 17.261 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -18.078 31.980 16.135 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -19.320 34.469 7.586 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -18.393 34.809 7.634 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -19.256 33.655 7.038 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -14.911 29.921 12.453 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -15.605 29.774 11.801 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -15.190 30.737 12.924 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -20.406 33.132 14.552 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -20.923 32.310 14.712 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -19.737 33.130 15.251 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -23.635 34.725 18.692 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -22.743 35.089 18.563 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -23.619 34.375 19.601 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -12.236 39.205 3.716 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -11.511 39.208 3.052 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -12.999 39.569 3.233 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -19.436 33.241 11.975 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -18.520 33.582 12.033 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -19.716 33.146 12.909 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -19.318 39.879 10.203 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -19.758 39.733 9.342 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -18.459 39.455 10.102 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.114 42.422 9.408 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -19.881 43.161 9.977 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -19.835 41.631 9.914 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -16.017 33.351 17.828 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -16.481 33.528 16.984 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -16.737 33.302 18.488 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -10.078 40.026 5.286 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -10.903 39.570 5.026 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -10.030 40.794 4.675 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -22.635 36.920 7.440 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -22.275 36.526 8.243 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -22.187 36.436 6.715 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -19.782 39.237 5.056 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -18.926 39.483 4.666 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -19.734 39.575 5.970 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -11.809 25.278 16.160 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -11.786 24.322 15.929 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -12.211 25.710 15.372 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -23.951 33.718 3.707 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -24.751 33.535 4.209 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -23.229 33.350 4.277 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -24.249 39.080 7.214 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -24.089 39.474 8.074 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -23.696 38.262 7.216 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -23.549 33.463 21.157 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -23.102 32.644 20.847 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -24.496 33.297 20.987 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -26.689 32.130 5.140 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -26.433 32.034 4.194 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -25.823 32.224 5.618 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -20.928 35.017 19.306 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -21.196 35.326 20.196 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -20.971 34.034 19.373 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -18.334 32.801 19.356 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -18.010 31.879 19.266 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -19.309 32.703 19.413 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -16.745 29.713 22.571 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -16.966 30.245 23.373 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -16.352 30.354 21.968 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -17.532 30.235 18.877 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -16.589 30.013 18.730 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -17.940 29.378 19.149 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -17.230 39.675 3.873 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -16.844 38.797 3.962 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -16.946 40.146 4.699 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -24.294 34.433 0.976 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -24.050 34.126 1.871 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -24.898 33.742 0.643 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -13.102 32.999 14.524 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -12.147 33.074 14.420 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -13.230 32.895 15.491 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -10.940 29.558 15.392 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -10.813 30.525 15.417 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -11.533 29.412 14.622 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -24.709 28.892 24.922 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -25.124 29.637 25.382 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -24.360 29.281 24.100 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -11.951 26.995 18.313 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -11.248 27.658 18.162 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -11.961 26.467 17.486 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -8.887 23.289 19.461 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -8.161 23.701 18.953 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -9.541 24.006 19.573 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -11.345 38.444 10.908 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -12.277 38.633 10.688 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -11.081 39.180 11.471 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -25.101 24.284 17.923 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -24.404 23.967 18.544 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -25.835 23.645 18.040 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.050 36.603 17.189 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -20.402 36.097 17.951 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -19.174 36.235 17.046 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -12.822 40.208 8.611 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -13.046 41.158 8.570 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -11.880 40.173 8.344 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -22.182 26.329 18.910 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -21.838 26.957 19.583 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.512 26.357 18.192 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -23.696 36.400 3.168 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -23.605 35.437 3.338 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -22.804 36.763 3.363 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -16.044 25.402 25.074 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.320 26.073 25.709 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -15.154 25.114 25.399 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -11.790 22.464 21.200 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -11.058 21.832 21.132 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -11.526 23.198 20.613 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -23.234 31.770 27.269 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -23.075 32.465 26.597 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -22.579 31.070 27.047 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -13.690 24.293 25.764 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -14.152 23.445 25.912 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -12.962 24.065 25.152 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -21.309 26.625 25.444 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -22.225 26.552 25.780 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -21.333 27.409 24.860 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -23.043 30.958 29.885 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -23.422 31.609 30.479 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -23.181 31.335 28.991 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -21.184 30.136 26.461 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -20.653 30.849 26.057 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -21.385 29.536 25.710 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -24.021 26.460 26.036 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -24.503 26.543 26.882 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -24.310 27.250 25.523 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -19.543 34.856 25.310 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -18.627 34.849 24.972 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -19.773 33.911 25.386 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -16.231 27.272 21.374 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.417 27.467 20.863 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -16.366 28.076 21.923 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -13.047 25.699 21.762 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -13.916 25.322 22.014 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -13.269 26.564 21.367 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -25.841 31.333 26.551 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -24.941 31.435 26.926 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -25.942 32.109 25.965 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -18.870 34.677 21.697 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -19.791 35.012 21.771 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -18.743 34.535 20.742 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -21.931 35.933 24.636 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -21.038 35.642 24.948 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -22.019 36.830 24.978 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -22.869 33.402 25.071 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -22.630 34.336 24.886 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.823 33.351 24.848 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.622 24.874 22.430 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -15.991 25.699 22.041 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -15.764 24.983 23.397 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -21.122 29.107 29.065 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -21.100 29.447 28.150 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -21.763 29.691 29.522 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -19.250 27.154 28.756 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -20.053 27.696 28.944 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -18.524 27.778 28.837 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -19.477 29.518 22.219 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -18.513 29.387 22.324 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -19.587 30.496 22.223 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -19.935 32.171 22.220 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -19.380 32.969 22.118 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -20.469 32.145 21.385 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -21.287 28.334 20.592 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -21.843 29.088 20.328 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.642 28.722 21.222 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.502 28.952 23.989 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -22.304 29.224 23.498 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -20.772 29.086 23.349 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -17.253 34.326 23.830 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -17.805 34.461 23.022 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -16.520 34.942 23.721 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -20.373 32.254 24.861 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -21.302 32.569 24.953 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -20.249 32.163 23.885 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -21.595 35.204 21.968 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -21.791 35.509 22.878 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -22.331 34.580 21.761 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -13.877 27.834 20.075 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -13.169 27.463 19.501 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -14.246 28.572 19.545 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -11.123 24.923 19.990 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -11.312 25.612 19.322 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -11.716 25.152 20.741 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -22.676 23.354 22.271 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -22.932 23.798 23.104 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -21.953 22.755 22.535 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -25.431 27.526 28.264 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -26.055 28.288 28.267 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -24.703 27.817 28.826 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -15.620 22.318 26.075 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -16.178 22.289 25.279 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -16.154 22.838 26.721 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -23.126 24.029 24.960 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -23.405 24.919 25.279 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -23.711 23.421 25.426 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -22.617 43.243 -36.820 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -22.939 43.553 -35.952 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -21.670 43.101 -36.682 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -26.160 47.004 -39.018 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -25.544 47.203 -39.731 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -27.016 46.828 -39.481 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -24.495 43.298 -38.847 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -23.738 43.204 -38.229 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -25.193 43.710 -38.306 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -20.192 44.146 -35.467 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -19.535 44.755 -35.819 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -20.952 44.710 -35.256 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -26.640 44.547 -34.606 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -26.498 44.716 -35.560 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -27.382 43.899 -34.590 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -24.315 46.256 -36.018 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -23.745 45.695 -35.467 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -24.779 45.632 -36.593 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -28.863 42.992 -34.916 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -29.342 43.206 -35.744 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -29.552 42.681 -34.321 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -21.072 42.796 -33.149 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -20.414 43.065 -33.817 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -20.528 42.436 -32.405 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -22.041 49.361 -24.376 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -21.793 48.962 -23.513 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -21.405 48.972 -25.007 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -27.825 46.959 -28.693 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -27.905 45.985 -28.781 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -28.747 47.265 -28.566 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -20.720 47.689 -26.133 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -19.894 47.803 -26.655 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -21.443 47.863 -26.789 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -24.146 47.571 -24.932 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -23.515 48.309 -24.841 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -23.599 46.775 -24.813 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -21.899 45.937 -24.359 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -21.715 46.460 -23.551 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -21.460 46.441 -25.075 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -19.751 41.433 -24.867 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -20.427 42.094 -24.568 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -18.921 41.923 -24.851 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -22.516 49.305 -17.764 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -22.306 50.115 -17.255 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -23.205 48.858 -17.229 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -29.677 50.796 -24.427 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -29.380 49.910 -24.124 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -28.895 51.351 -24.337 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -21.676 43.177 -24.203 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -21.718 44.148 -24.333 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -22.431 42.984 -23.611 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -18.259 39.805 -17.224 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -17.549 40.423 -16.956 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -18.991 39.999 -16.599 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -21.312 47.765 -22.271 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -21.846 48.014 -21.483 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -20.450 47.496 -21.900 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -18.306 48.170 -27.370 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -17.870 49.016 -27.521 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -18.292 47.734 -28.255 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -23.113 48.740 -20.338 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -23.705 49.446 -20.689 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -22.789 49.101 -19.482 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -22.962 44.383 -34.331 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -22.335 43.811 -33.835 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -23.658 44.599 -33.672 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -24.874 45.015 -32.428 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -25.506 44.659 -33.092 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -25.293 45.842 -32.122 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -17.061 43.789 -30.755 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -16.927 43.698 -29.807 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -16.823 42.901 -31.116 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -22.799 48.321 -27.735 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -23.039 48.245 -28.686 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -23.607 48.648 -27.311 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -18.274 47.333 -29.972 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -17.555 47.094 -30.603 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -18.925 47.823 -30.528 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -20.330 48.373 -31.443 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -20.963 47.639 -31.568 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -20.815 49.154 -31.724 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -25.866 50.485 -15.701 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -24.958 50.730 -15.425 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -26.314 50.254 -14.863 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -18.420 47.413 -24.535 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -19.340 47.361 -24.842 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -17.925 47.680 -25.325 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -24.751 48.189 -16.627 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -24.361 47.815 -15.808 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -25.297 48.939 -16.308 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -19.758 50.755 -18.646 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -19.801 49.774 -18.638 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -19.299 50.964 -19.464 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -16.454 46.292 -31.756 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -15.709 46.226 -32.359 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -16.614 45.369 -31.466 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -16.261 41.268 -31.386 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -15.451 40.856 -31.698 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -16.954 40.591 -31.545 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -21.980 46.098 -31.538 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -22.536 45.359 -31.828 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -21.198 45.663 -31.133 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -26.186 46.884 -30.871 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -26.715 47.063 -30.054 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -26.845 46.951 -31.601 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -27.418 50.776 -17.886 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -26.824 50.678 -17.102 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -26.868 51.222 -18.544 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -23.877 48.042 -14.059 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -23.494 48.929 -14.238 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -24.800 48.233 -13.771 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -20.162 48.010 -18.570 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -21.057 48.295 -18.297 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -19.908 47.345 -17.901 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -20.215 45.088 -20.039 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -19.808 45.579 -20.788 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -20.084 45.673 -19.277 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -18.799 46.330 -22.031 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -18.597 46.838 -22.851 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -18.148 45.615 -22.031 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -25.459 44.824 -17.388 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -24.872 44.145 -17.001 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -26.139 44.962 -16.715 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -18.203 43.204 -20.654 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -17.748 43.158 -19.787 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -18.997 43.738 -20.476 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -19.831 45.908 -16.816 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -19.699 44.965 -16.571 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -19.452 46.405 -16.055 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -19.502 43.461 -15.638 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -19.087 42.658 -15.979 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -20.074 43.144 -14.907 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -23.960 50.754 -25.723 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -23.209 50.400 -25.198 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -23.578 51.477 -26.226 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -25.662 49.679 -23.862 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -25.380 48.779 -24.113 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -25.308 50.244 -24.579 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -24.084 39.926 -25.571 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -23.173 40.192 -25.829 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -24.049 38.958 -25.538 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -24.618 41.757 -30.000 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -24.784 40.898 -29.562 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -24.212 41.516 -30.864 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -19.662 44.934 -30.378 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -19.236 45.754 -30.051 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -18.913 44.385 -30.682 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -17.164 42.124 -13.486 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -16.952 41.986 -12.539 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -17.226 43.105 -13.578 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -23.718 48.789 -4.304 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -23.426 49.711 -4.149 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -23.787 48.409 -3.408 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -25.149 48.788 -10.104 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -25.725 49.040 -9.352 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -24.438 49.454 -10.089 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -26.013 49.617 -7.646 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -26.582 49.170 -6.980 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -25.120 49.555 -7.273 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -13.329 44.261 -9.405 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -14.303 44.208 -9.540 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -13.138 45.203 -9.425 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -23.791 44.707 -3.279 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -24.330 44.485 -2.487 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -24.005 43.996 -3.922 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -20.601 48.950 -6.248 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -20.098 48.752 -7.065 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -21.536 48.896 -6.524 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -14.833 43.760 0.480 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -15.251 44.620 0.698 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -14.784 43.294 1.341 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -21.180 51.608 -6.181 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -20.818 50.722 -5.982 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -20.907 51.769 -7.105 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -22.701 51.355 -3.927 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -23.039 52.235 -3.734 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -22.151 51.482 -4.738 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -23.216 50.638 -9.066 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -23.179 50.024 -8.298 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -23.409 51.496 -8.672 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -19.719 38.941 -0.173 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -19.725 39.914 -0.172 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -18.951 38.712 -0.733 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -18.091 49.147 -12.983 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -17.647 49.961 -13.233 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -18.269 49.255 -12.024 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -20.124 47.763 -3.800 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -20.547 48.386 -3.165 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -20.169 48.234 -4.661 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -23.330 48.898 -6.961 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -23.476 48.032 -7.403 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -23.510 48.718 -6.004 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -21.278 46.963 -10.378 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -21.680 46.887 -11.276 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -21.168 46.032 -10.090 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -20.452 51.110 -8.847 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -21.311 50.867 -9.236 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -19.798 50.732 -9.456 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -23.906 48.074 -1.535 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -23.599 47.489 -0.814 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -24.863 47.875 -1.609 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -17.590 44.718 -14.196 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -17.816 45.666 -14.148 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -18.285 44.339 -14.769 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -23.537 46.903 -8.813 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -24.270 47.303 -9.329 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -22.758 46.995 -9.399 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -14.558 41.369 -3.065 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -14.127 42.233 -3.060 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -14.967 41.299 -2.174 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -19.047 47.071 -14.440 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -19.929 47.078 -14.048 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -18.586 47.824 -14.001 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -19.495 47.804 -8.526 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -19.476 47.029 -7.921 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -20.142 47.549 -9.223 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -21.358 45.419 -4.577 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -20.981 46.241 -4.197 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -22.098 45.196 -3.977 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -18.351 49.612 -10.229 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -18.783 48.940 -9.654 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -17.539 49.834 -9.761 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -23.219 50.595 -14.885 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -22.540 51.114 -15.365 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -23.514 51.192 -14.160 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -23.335 46.262 0.682 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -23.341 45.289 0.675 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -22.500 46.487 1.129 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -20.049 45.535 -7.028 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -20.715 45.246 -7.672 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -20.513 45.492 -6.161 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -11.948 40.854 -6.437 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -11.523 41.045 -5.587 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -12.709 40.290 -6.198 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -22.642 46.224 -12.548 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -23.064 46.851 -13.181 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -23.369 45.636 -12.274 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -22.529 45.943 -17.601 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -22.935 45.325 -16.979 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -21.594 45.982 -17.323 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -21.401 51.678 -16.671 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -21.141 52.595 -16.541 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -20.793 51.355 -17.380 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -21.579 49.462 -2.213 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -21.910 50.254 -2.678 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -22.385 49.037 -1.861 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -18.317 45.841 -2.972 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -18.950 46.446 -3.418 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -18.006 46.347 -2.218 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -19.333 41.706 -0.071 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -18.561 41.650 0.533 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -18.958 42.018 -0.908 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -14.852 42.298 2.807 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -14.159 42.647 3.416 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -14.537 41.394 2.577 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -21.795 41.238 1.056 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -20.930 41.420 0.630 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -21.851 40.268 1.077 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -18.385 44.643 2.457 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -18.555 43.780 2.056 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -17.874 44.430 3.279 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -10.553 43.798 5.087 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -10.442 43.038 4.470 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -9.882 44.452 4.776 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -25.774 46.316 -4.335 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -26.070 46.687 -3.474 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -25.025 45.733 -4.094 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -20.781 46.049 2.070 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -20.566 46.983 2.170 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -19.934 45.588 2.255 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -9.695 43.758 -0.335 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -10.568 43.884 0.112 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -9.577 44.564 -0.849 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -16.004 44.012 -9.965 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -16.829 44.421 -9.682 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -16.268 43.118 -10.261 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -10.722 37.846 -5.687 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -10.349 38.263 -6.490 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -10.621 38.527 -4.995 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -17.017 40.684 -4.128 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -16.104 40.962 -3.920 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -17.535 41.517 -4.078 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -11.922 41.954 -9.011 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -11.980 41.657 -8.078 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -12.377 42.829 -9.014 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -25.113 43.581 3.034 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -24.883 43.473 3.964 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -24.241 43.593 2.571 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -22.714 43.718 1.810 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -22.367 42.844 1.511 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -21.916 44.243 1.992 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -10.173 40.558 7.916 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -10.053 40.345 6.961 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -10.183 41.534 7.943 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -15.988 45.907 1.796 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -16.876 45.519 1.946 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -16.002 46.743 2.315 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -13.374 45.767 2.719 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -14.293 45.794 2.375 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -13.136 46.696 2.830 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -14.931 42.916 6.477 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -14.374 42.925 7.283 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -14.316 43.180 5.760 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -15.762 48.063 3.451 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -15.914 49.004 3.305 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -15.642 47.986 4.405 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -13.085 42.973 8.554 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -12.160 43.149 8.263 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -13.171 43.464 9.379 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -10.513 43.372 7.746 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -10.578 43.515 6.770 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -9.770 43.925 8.016 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -16.655 43.849 4.369 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -16.443 43.707 5.310 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -15.971 43.348 3.895 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 1.634 -2.138 -5.848 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 0.724 -1.889 -6.103 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 2.125 -1.304 -5.868 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -3.363 -4.612 -3.276 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -3.144 -5.558 -3.299 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -2.507 -4.165 -3.489 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 5.363 -1.027 -3.570 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 6.120 -0.414 -3.618 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 4.686 -0.621 -4.152 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -9.487 -4.707 -8.965 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -9.502 -5.450 -9.605 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -8.554 -4.390 -8.991 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 2.820 5.305 -3.917 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 2.574 6.065 -3.371 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 3.688 5.546 -4.279 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 2.928 -5.135 -5.599 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 2.649 -4.404 -6.167 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 3.726 -5.492 -6.043 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -5.007 -11.289 -7.052 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -5.114 -12.172 -7.417 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -4.194 -11.350 -6.509 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -6.342 -6.050 -7.535 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -7.124 -6.372 -7.998 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -5.953 -6.856 -7.138 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -2.979 -8.507 -6.270 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -3.853 -8.461 -6.722 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -2.807 -9.468 -6.187 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -1.202 -1.682 -5.885 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -1.678 -0.893 -6.215 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -1.841 -2.414 -6.017 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -4.135 -8.477 -2.572 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -3.824 -9.384 -2.728 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -3.979 -8.026 -3.411 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 11.144 -1.273 -5.250 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 12.090 -1.437 -5.323 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 10.928 -0.764 -6.041 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 9.819 -5.145 -0.255 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 9.815 -4.162 -0.310 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 9.697 -5.430 -1.186 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 3.454 -2.171 -1.881 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 4.133 -1.796 -2.478 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 2.854 -2.665 -2.481 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -1.990 -5.942 -6.883 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -1.655 -5.849 -7.783 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -2.323 -6.861 -6.845 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 0.710 1.090 -5.684 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -0.139 0.636 -5.781 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 1.024 1.214 -6.616 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -4.341 -5.884 -9.461 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -5.023 -6.077 -8.787 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.568 -6.471 -10.206 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -6.282 2.151 -6.243 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -7.261 2.230 -6.240 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -5.995 2.777 -5.556 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 7.841 -4.624 1.641 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 7.090 -4.514 1.013 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 8.542 -5.037 1.097 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -1.972 -6.975 -4.189 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -2.282 -7.561 -4.912 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -1.625 -6.192 -4.654 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -6.847 -8.007 -9.760 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -6.231 -7.919 -10.519 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -7.702 -7.701 -10.113 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -0.087 -5.307 0.525 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -1.049 -5.440 0.526 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 0.136 -5.190 -0.407 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 5.237 -5.889 -6.892 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 5.490 -6.415 -7.657 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 6.073 -5.597 -6.515 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -4.643 -3.662 -1.069 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -4.085 -3.937 -1.830 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -5.543 -3.946 -1.321 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -10.631 -9.403 -6.471 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -10.055 -10.040 -6.906 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -11.481 -9.852 -6.406 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -0.907 -3.739 -3.920 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 0.042 -3.845 -3.714 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -0.936 -2.970 -4.519 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -5.251 -7.114 -11.793 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -5.733 -6.283 -11.997 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -4.716 -7.278 -12.578 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 4.727 3.263 1.869 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 5.181 4.122 1.762 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 5.130 2.878 2.681 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -2.629 -11.250 -5.634 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -1.870 -11.822 -5.791 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -2.608 -11.082 -4.664 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -2.364 -10.702 -2.945 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -2.331 -11.311 -2.197 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -1.765 -9.965 -2.682 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -2.165 -1.964 -10.450 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -2.481 -2.525 -9.723 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -2.915 -1.926 -11.061 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 1.856 -3.628 -3.611 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 1.774 -2.995 -4.360 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 2.271 -4.417 -4.018 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -5.198 0.360 -7.941 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -5.382 0.914 -8.733 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -5.548 0.897 -7.195 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -6.841 -4.868 -11.771 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -6.946 -4.055 -12.310 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -6.759 -4.533 -10.850 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -3.194 -3.560 -6.285 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -3.526 -3.393 -7.196 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -2.743 -4.431 -6.352 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -2.561 0.388 -7.095 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -2.503 1.351 -7.111 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -3.487 0.199 -7.366 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 1.581 1.115 -8.232 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 2.175 1.232 -8.978 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 0.829 0.589 -8.600 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -4.933 -1.969 -11.105 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -5.594 -2.293 -11.745 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -5.022 -1.007 -11.142 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -0.778 -8.561 -2.307 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 0.173 -8.486 -2.450 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -1.170 -7.914 -2.942 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 6.836 -3.002 -2.246 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 7.694 -2.861 -2.674 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 6.239 -2.368 -2.692 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -0.611 -0.264 -8.995 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -0.987 -0.856 -9.684 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -1.354 -0.113 -8.384 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 7.103 5.298 -5.448 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 7.616 4.516 -5.142 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 7.109 5.221 -6.406 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -6.031 -2.872 2.707 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -6.605 -3.227 1.991 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -5.376 -3.587 2.865 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -4.056 -3.303 -8.842 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -4.433 -2.816 -9.608 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -4.031 -4.244 -9.143 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -2.682 -7.225 -0.552 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -3.406 -7.582 -1.108 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -1.888 -7.669 -0.891 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 3.631 -3.203 0.611 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 4.450 -3.729 0.494 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 3.437 -2.863 -0.296 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -3.269 -5.011 0.934 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -3.148 -5.872 0.476 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -3.764 -4.464 0.286 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 1.646 -4.128 2.268 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 2.367 -3.809 1.675 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 1.022 -4.587 1.657 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 8.386 -1.174 1.101 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 8.723 -1.800 0.424 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 9.193 -0.795 1.490 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -3.901 -4.451 3.501 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -3.577 -5.168 4.084 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -3.602 -4.721 2.600 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -0.377 -7.085 4.359 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 0.259 -7.604 4.869 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -0.295 -7.427 3.457 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -6.389 1.965 -9.752 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -6.546 2.181 -10.691 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -7.004 2.536 -9.274 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -11.400 3.237 -6.601 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -11.472 3.792 -5.793 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -12.289 2.836 -6.690 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 8.417 2.974 -4.689 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 9.123 2.700 -4.078 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 7.660 2.428 -4.434 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 10.525 5.358 2.223 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 11.327 5.880 2.105 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 10.850 4.420 2.237 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 9.303 -2.095 -3.404 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 9.972 -1.852 -4.088 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 8.779 -1.269 -3.281 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 9.950 -2.499 -0.735 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 9.798 -2.320 -1.685 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 10.901 -2.312 -0.603 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 10.124 -3.294 2.635 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 10.791 -3.955 2.377 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 9.270 -3.725 2.438 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 5.894 -4.554 -0.245 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 6.257 -3.929 -0.924 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 5.592 -5.309 -0.762 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -11.033 -7.410 1.509 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -11.209 -7.825 0.654 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -10.658 -8.139 2.056 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -5.451 -8.657 -7.477 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.940 -8.564 -8.325 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -5.428 -9.630 -7.320 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -6.980 -3.713 -9.253 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -6.989 -2.727 -9.260 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -6.237 -3.940 -8.666 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 1.882 4.897 1.847 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 2.496 5.320 1.202 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 2.288 5.087 2.713 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 0.110 4.378 -0.347 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 0.754 4.941 0.114 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 0.214 4.608 -1.280 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 5.307 6.993 -4.327 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 5.950 6.299 -4.611 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 5.496 7.737 -4.909 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -9.954 -1.946 -9.441 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -9.814 -2.904 -9.354 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -9.055 -1.564 -9.351 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -3.447 -0.574 10.108 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -3.073 -1.389 10.507 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -4.254 -0.877 9.667 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 6.735 2.800 9.213 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 7.026 3.697 9.016 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 7.456 2.423 9.730 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -9.468 -1.572 6.384 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -8.762 -2.124 6.036 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -10.165 -1.632 5.722 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 3.214 -2.722 4.106 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 2.596 -3.223 3.536 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 4.092 -3.046 3.843 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -2.761 -3.113 10.942 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -3.554 -3.331 10.395 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -2.082 -3.717 10.621 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -2.985 0.970 12.358 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -2.695 0.177 12.856 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -3.254 0.615 11.490 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 0.915 4.798 9.921 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 0.593 3.892 9.695 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 0.382 5.045 10.702 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -4.771 -3.597 9.207 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -5.589 -4.103 9.240 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -4.442 -3.730 8.284 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 6.475 -0.172 5.247 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 6.321 -0.647 4.393 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 7.410 -0.322 5.431 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -6.589 4.036 11.661 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -6.140 4.249 12.508 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -6.726 3.081 11.698 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -0.709 6.520 6.227 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -1.013 5.661 5.860 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 0.266 6.454 6.201 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 3.453 6.332 3.748 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 4.418 6.273 3.895 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 3.064 6.240 4.648 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 2.441 4.271 7.639 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 1.949 4.519 8.452 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 3.028 3.536 7.929 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 5.703 -4.129 3.347 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 5.322 -4.974 3.611 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 6.523 -4.376 2.863 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -3.996 -4.127 6.674 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -4.302 -3.541 5.960 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -3.501 -4.830 6.212 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 4.409 -0.275 7.123 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 5.056 -0.187 6.389 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 4.784 -0.962 7.688 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -2.297 -1.586 13.175 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -2.473 -2.169 12.406 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -2.163 -2.194 13.906 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 0.241 0.840 6.242 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 0.857 0.072 6.212 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -0.193 0.764 7.116 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 2.095 -1.190 6.080 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 2.491 -1.788 5.404 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 2.875 -0.820 6.555 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -0.034 2.305 9.686 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -0.651 1.760 9.152 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 0.025 1.839 10.530 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -5.045 -1.919 5.152 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -5.733 -1.277 5.369 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -5.333 -2.299 4.296 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -1.732 0.641 8.298 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -2.302 0.343 9.038 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -2.144 0.234 7.506 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 2.098 7.155 15.576 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 2.821 6.920 14.949 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 2.531 7.187 16.432 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 6.723 0.339 -0.423 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 7.356 -0.174 0.126 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 5.849 0.044 -0.113 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 5.995 2.313 4.098 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 6.042 1.442 4.539 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 6.898 2.644 4.133 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 4.456 -0.545 1.150 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 5.110 -0.738 1.856 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 4.058 -1.419 0.950 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -2.964 3.586 12.887 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -2.960 2.609 12.734 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -2.027 3.847 12.785 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 0.009 2.591 1.679 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -0.150 3.196 0.917 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 0.394 3.168 2.361 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -2.090 1.596 5.017 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -1.216 1.380 5.402 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -2.670 0.882 5.340 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 1.607 2.970 5.251 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 1.185 2.227 5.736 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 2.027 3.504 5.957 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -0.972 4.089 5.003 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -1.548 3.294 5.000 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -0.066 3.727 5.060 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -2.859 -6.296 5.287 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -3.165 -7.023 5.841 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -1.993 -6.604 4.942 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 1.981 1.012 3.316 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 2.404 0.286 3.796 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 1.975 1.754 3.961 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -2.730 -0.803 6.209 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -3.510 -1.337 5.951 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -2.003 -1.465 6.299 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -0.534 -2.422 6.237 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -0.395 -3.206 5.668 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 0.368 -2.118 6.447 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 6.347 -1.491 2.907 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 6.135 -2.442 3.032 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 7.111 -1.494 2.284 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -7.409 5.992 10.006 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -8.360 6.001 10.174 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -7.072 5.275 10.590 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -0.276 -4.277 4.257 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -0.385 -5.231 4.434 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 0.426 -4.242 3.570 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -0.169 6.048 14.546 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -0.844 6.289 15.204 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 0.651 6.482 14.875 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -4.992 6.907 17.370 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -5.897 6.877 17.001 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -5.094 7.426 18.196 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -2.492 6.212 16.312 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -3.340 6.594 16.638 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -2.287 5.522 16.948 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 4.104 6.395 13.906 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 3.607 5.884 13.227 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 5.017 6.344 13.616 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -9.080 9.345 15.532 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -9.713 9.558 14.811 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -8.235 9.175 15.060 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 1.325 2.542 12.625 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 1.283 1.908 13.350 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 2.053 2.202 12.049 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 1.982 8.575 3.286 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 2.361 8.929 2.461 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 2.536 7.789 3.484 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -8.751 15.958 -3.353 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -8.023 16.545 -3.117 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -8.470 15.080 -3.007 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -6.637 20.867 -1.983 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -6.946 20.670 -1.091 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -5.792 20.361 -2.062 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -7.361 2.731 -12.256 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -7.843 3.459 -11.790 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -7.053 3.137 -13.074 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -5.954 20.744 -5.369 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -5.788 21.692 -5.286 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.093 20.370 -5.590 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 1.004 20.740 -4.626 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 1.880 21.097 -4.801 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 0.395 21.465 -4.887 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -5.547 12.206 -8.454 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -5.002 12.544 -9.172 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -6.444 12.459 -8.696 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -5.389 11.102 -3.213 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -5.228 11.396 -4.136 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -6.325 11.329 -3.047 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -1.116 14.746 -3.358 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -0.243 14.343 -3.260 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -0.930 15.627 -3.757 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -4.876 11.630 -5.868 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -4.314 12.348 -5.499 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -5.099 11.943 -6.775 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -4.190 19.714 -1.966 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -3.542 20.344 -2.347 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -3.762 19.388 -1.160 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 3.744 7.494 -2.138 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 4.386 7.325 -2.866 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 3.535 8.435 -2.222 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 1.430 2.861 -3.604 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 1.051 2.523 -4.437 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 1.846 3.712 -3.855 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -0.623 17.204 -4.497 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.477 17.704 -4.491 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -0.206 17.462 -5.329 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -0.639 21.007 4.262 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -0.252 21.681 4.848 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -1.407 21.453 3.853 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -6.015 19.807 2.740 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -6.315 20.648 2.334 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -6.005 20.001 3.697 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -7.748 14.466 0.893 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -6.788 14.267 0.982 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -7.820 15.397 1.171 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 0.472 22.744 0.144 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 0.031 23.609 0.313 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 1.011 22.591 0.948 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -5.385 23.254 -2.934 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -5.858 22.451 -2.637 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -5.558 23.908 -2.232 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -4.766 18.118 0.844 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -4.872 18.791 1.544 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -5.605 17.625 0.864 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -4.599 7.682 -1.923 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -5.336 7.832 -2.548 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -3.989 7.120 -2.409 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 3.556 6.107 0.152 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 4.467 5.932 0.488 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 3.698 6.503 -0.740 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -3.512 13.568 -4.344 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -2.616 13.937 -4.216 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -3.976 13.791 -3.526 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 3.891 14.383 -2.419 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 4.687 14.820 -2.733 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 3.307 15.122 -2.134 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.005 14.102 0.907 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -4.384 14.848 1.034 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -4.607 13.585 0.190 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -10.829 7.924 -3.713 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -10.146 8.542 -4.062 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -11.171 7.479 -4.505 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -7.320 17.422 1.935 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -8.031 17.285 2.597 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -6.874 18.239 2.236 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 0.302 10.417 -2.556 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.042 10.356 -3.451 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 1.099 10.988 -2.642 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 0.875 18.720 -2.728 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 0.280 18.117 -3.216 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 1.013 19.470 -3.350 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -13.045 11.802 1.768 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -12.103 11.616 1.893 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -13.308 11.222 1.021 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 2.265 16.494 -1.723 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 1.759 16.419 -0.910 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 1.936 17.320 -2.134 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -2.543 21.406 -3.410 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -1.806 21.273 -2.762 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -2.477 22.343 -3.654 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -8.029 11.019 -2.293 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -8.942 11.154 -1.925 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -7.626 10.377 -1.688 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 3.556 11.061 -0.343 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 3.648 10.243 0.193 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 4.258 11.637 -0.020 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 2.525 12.005 -2.675 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 2.970 12.878 -2.745 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 2.906 11.611 -1.865 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -6.246 8.557 -3.990 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -5.841 9.384 -3.659 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -5.928 8.487 -4.912 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 2.187 22.991 2.329 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 1.856 23.468 3.104 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 2.680 23.669 1.826 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 0.367 18.613 3.397 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -0.046 19.428 3.775 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 0.882 18.937 2.652 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -7.226 11.283 4.214 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -6.340 11.498 3.838 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -7.845 11.554 3.527 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -3.022 14.203 -1.401 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -2.924 14.868 -0.687 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -2.306 14.426 -2.035 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 1.298 16.676 5.141 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 1.003 17.382 4.528 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 1.574 17.159 5.948 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -3.504 11.487 -1.215 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -4.152 11.295 -1.928 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -3.300 12.441 -1.329 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -4.041 9.212 0.352 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -3.927 10.087 -0.063 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -4.393 8.650 -0.369 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 1.172 12.094 0.752 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 1.940 11.786 0.239 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 0.421 11.579 0.393 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -4.938 12.068 2.891 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -4.050 11.696 2.715 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -5.009 12.815 2.269 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -1.031 10.697 -0.198 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -1.929 10.916 -0.526 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -0.532 10.465 -1.014 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 3.833 8.743 1.160 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 4.621 8.455 1.638 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 3.506 7.930 0.730 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 1.798 10.130 5.547 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 2.539 10.773 5.575 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 1.874 9.708 4.663 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -7.615 13.792 -1.988 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -7.653 13.906 -1.022 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -7.766 12.838 -2.123 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -7.098 25.421 -8.712 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -6.174 25.282 -8.426 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -7.161 24.941 -9.559 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -10.938 21.288 -3.817 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -10.368 20.505 -3.751 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -10.388 21.940 -4.262 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -9.685 17.724 -5.459 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -9.407 17.040 -4.824 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -9.288 18.546 -5.112 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -7.789 10.008 6.526 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -6.888 9.712 6.729 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -7.685 10.536 5.697 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 8.794 6.002 4.260 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 9.414 5.892 4.987 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 9.322 5.782 3.462 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -5.358 8.995 -6.597 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -4.724 8.928 -7.319 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -5.284 9.932 -6.301 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -8.857 9.614 -4.555 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -8.671 10.253 -3.839 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -8.083 9.020 -4.547 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -8.581 4.599 -10.757 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -8.835 5.506 -10.570 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -9.214 4.057 -10.226 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 0.957 25.034 4.656 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 1.540 25.676 5.115 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 0.969 24.241 5.233 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 1.039 26.714 2.490 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 0.913 26.086 3.236 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 1.618 27.408 2.858 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 8.423 5.159 0.465 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 8.798 5.579 -0.344 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 9.156 5.205 1.117 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -0.709 20.841 -1.542 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -0.276 21.474 -0.927 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -0.047 20.140 -1.669 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -0.152 23.155 -5.365 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -0.226 23.806 -4.635 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 0.251 23.669 -6.101 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -8.353 19.955 -4.178 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -7.950 20.222 -3.332 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -7.652 20.140 -4.839 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -2.810 18.814 -4.401 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -2.610 19.764 -4.278 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -3.561 18.653 -3.811 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -7.945 4.853 -4.943 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -7.127 4.646 -4.460 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -7.710 5.633 -5.494 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -7.088 6.786 -6.691 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -6.558 7.607 -6.677 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.058 6.498 -7.608 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 5.936 5.712 1.430 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 6.112 6.119 2.305 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 6.835 5.533 1.063 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 0.472 17.028 11.183 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -0.041 17.730 10.724 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -0.191 16.316 11.353 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -0.253 16.241 15.846 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 0.634 16.039 16.202 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -0.596 16.948 16.444 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -0.582 18.064 13.679 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -0.637 17.369 14.369 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -0.124 17.626 12.935 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 1.649 12.658 13.858 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 2.197 12.332 14.612 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 2.229 13.274 13.396 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 2.820 4.885 12.006 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 2.353 5.047 11.167 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 2.369 4.107 12.381 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -3.337 6.647 13.719 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -3.362 7.631 13.758 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -2.892 6.390 14.554 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 1.113 20.886 9.554 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 1.444 20.818 10.479 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 1.826 20.503 9.012 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 3.470 1.910 11.119 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 4.311 2.306 11.373 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 3.452 1.991 10.144 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -0.454 4.592 12.308 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 0.164 3.839 12.442 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -0.317 5.160 13.107 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 0.277 10.759 12.289 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 0.810 11.399 12.803 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 0.440 9.914 12.721 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -2.390 20.131 13.160 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -2.573 20.138 12.198 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -1.755 19.391 13.280 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -3.189 20.167 15.797 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -3.148 19.996 14.840 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -2.296 20.506 16.015 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 2.622 16.090 9.738 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 1.834 16.380 10.257 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 3.372 16.379 10.269 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 1.849 21.005 12.182 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 2.688 21.433 12.376 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 1.618 20.544 13.018 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -3.490 20.017 18.477 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -3.757 20.914 18.763 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -3.529 20.059 17.494 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 6.257 6.848 3.928 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 6.314 7.692 4.387 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 7.147 6.438 4.071 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -1.063 18.447 17.316 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -1.889 18.681 17.768 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -0.717 19.305 16.998 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 3.997 22.924 7.537 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 4.491 23.090 6.705 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 3.861 23.805 7.911 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -5.187 4.671 13.969 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -4.447 4.066 13.730 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -4.777 5.561 13.939 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -0.393 13.369 2.577 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -0.542 14.283 2.306 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 0.274 13.029 1.935 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 4.486 13.436 20.319 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 3.653 13.687 20.781 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 5.049 13.099 21.020 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -1.210 15.026 11.858 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -1.178 14.559 12.717 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -1.346 14.316 11.201 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -2.259 11.382 2.263 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -1.862 11.036 1.442 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -1.672 12.127 2.515 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 3.351 12.070 15.887 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 3.696 11.220 16.184 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 3.772 12.723 16.490 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.796 13.904 14.373 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -0.693 14.677 14.971 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 0.104 13.520 14.319 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -2.125 11.681 13.449 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -1.712 12.482 13.839 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -1.456 11.355 12.812 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -0.830 17.212 7.937 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 0.124 17.354 7.766 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -1.031 17.822 8.675 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 3.665 12.055 6.252 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 4.491 12.436 5.943 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 3.369 12.666 6.965 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -0.595 20.977 16.266 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -0.638 21.929 16.437 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 0.211 20.863 15.725 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 2.843 13.647 8.366 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 2.756 14.570 8.689 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 2.612 13.111 9.128 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 1.852 17.763 7.593 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 2.320 18.626 7.613 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 2.316 17.222 8.261 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -0.281 13.083 21.659 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -0.671 12.206 21.828 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -1.017 13.600 21.282 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -3.133 20.636 10.513 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -2.826 21.260 9.808 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -3.905 21.094 10.913 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -9.826 12.563 1.630 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -9.074 13.158 1.447 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -9.945 12.065 0.793 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -0.971 19.057 9.972 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -1.806 19.552 10.118 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -0.323 19.752 9.725 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 1.364 19.783 14.596 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 1.981 19.118 14.978 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 0.587 19.251 14.317 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -2.173 17.620 5.609 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -2.080 18.575 5.507 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.740 17.429 6.470 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 2.845 17.672 15.620 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 2.613 16.759 15.889 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 3.642 17.869 16.120 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -4.689 12.125 14.537 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -3.791 11.999 14.170 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -5.209 12.443 13.783 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -1.546 16.508 3.119 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -2.002 16.705 3.965 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -0.804 17.140 3.102 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 1.889 8.634 7.753 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 2.742 8.921 8.098 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 1.752 9.196 6.948 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 3.113 20.273 7.419 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 3.507 21.136 7.666 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 3.150 20.272 6.441 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 4.496 13.858 17.627 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 5.432 13.623 17.438 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 4.424 13.777 18.609 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -1.133 9.215 6.296 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -1.085 8.257 6.094 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -0.992 9.259 7.260 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -5.328 22.830 21.461 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -5.835 22.071 21.824 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -4.990 23.279 22.240 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 1.267 22.642 5.952 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 1.945 22.028 5.600 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 1.545 22.798 6.872 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -4.442 18.272 20.415 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -3.668 17.735 20.667 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -4.098 18.883 19.727 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -2.984 16.016 0.793 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -3.526 16.836 0.736 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -2.444 16.144 1.605 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -2.707 13.997 20.638 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -3.516 13.988 21.208 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -2.794 13.201 20.098 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 3.422 21.276 4.799 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 4.187 21.876 4.938 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 3.209 21.380 3.860 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -4.571 11.940 17.384 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -4.613 11.897 16.404 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -4.716 12.872 17.584 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -3.454 9.328 14.049 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -2.863 10.083 13.846 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -4.068 9.681 14.710 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -3.548 10.288 19.607 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -4.265 9.637 19.708 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -3.762 10.748 18.773 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 2.298 13.974 21.846 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 1.416 13.570 21.676 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 2.159 14.521 22.622 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -6.552 10.787 18.973 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -5.962 11.110 18.267 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -6.804 11.600 19.461 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 2.295 15.065 16.491 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.882 14.209 16.327 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 3.120 14.840 16.980 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 7.017 12.893 17.147 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 7.425 12.070 17.436 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 7.756 13.437 16.857 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -10.622 10.480 17.586 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -10.902 9.744 18.166 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -9.920 10.088 17.023 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.743 7.082 16.678 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -8.162 7.900 16.349 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.417 6.691 17.262 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -6.701 20.820 22.729 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.909 20.944 23.684 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -6.383 19.893 22.673 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -4.473 22.635 18.855 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -5.308 22.919 18.455 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -4.618 22.758 19.820 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -4.711 25.321 16.169 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -4.990 26.209 16.500 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -4.515 25.471 15.223 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -3.014 23.212 16.636 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -3.496 24.057 16.526 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -3.382 22.838 17.465 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -5.748 24.893 11.266 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -5.267 24.979 10.407 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -6.331 25.666 11.289 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -4.986 22.231 11.740 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.365 23.110 11.543 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -4.501 22.363 12.570 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -2.993 22.740 13.908 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -2.834 21.783 13.750 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -3.035 22.815 14.894 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -0.516 9.058 8.948 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 0.385 8.774 8.661 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -0.357 9.575 9.754 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 4.109 2.230 8.429 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 5.058 2.397 8.616 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 4.111 1.403 7.906 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 2.067 6.432 6.092 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 2.051 7.160 6.747 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 2.279 5.631 6.629 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 5.140 23.443 5.096 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 4.601 23.994 4.487 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 5.996 23.910 5.134 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -5.869 8.250 19.601 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -6.608 7.782 20.025 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -6.244 9.135 19.373 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -8.284 18.474 24.311 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -7.532 18.311 23.698 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -9.038 18.678 23.716 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -3.330 12.104 23.692 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -2.857 11.659 22.957 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -2.911 11.762 24.483 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -4.922 13.731 22.178 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -4.557 13.148 22.882 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -5.686 14.184 22.611 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -3.852 16.879 23.565 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.284 16.870 22.768 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -3.540 16.134 24.085 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -6.797 13.259 20.169 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -6.075 13.348 20.825 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -7.473 13.872 20.482 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -2.312 16.645 21.241 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -2.469 15.714 20.964 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -1.432 16.847 20.902 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -1.902 10.775 21.743 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -1.564 9.895 21.942 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -2.484 10.638 20.956 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -6.094 18.117 22.637 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -5.396 17.669 23.170 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -5.695 18.184 21.738 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -9.938 22.049 24.095 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -9.620 22.080 23.174 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -10.603 22.768 24.144 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -7.659 21.021 25.301 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -8.486 21.505 25.103 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -7.919 20.084 25.271 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 2.520 31.528 -7.930 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 3.183 32.075 -7.497 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 2.901 31.347 -8.820 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -1.531 32.437 -1.648 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -1.538 32.469 -2.647 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -2.263 31.849 -1.431 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -2.129 35.022 -3.625 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -1.938 34.092 -3.907 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -3.028 34.966 -3.212 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -1.692 28.357 -4.846 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -1.469 28.362 -3.899 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -1.698 29.316 -5.101 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 0.607 26.197 -9.551 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 0.650 25.516 -8.850 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 1.120 26.943 -9.187 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 4.377 26.058 -4.822 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 4.277 26.990 -5.109 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 4.244 26.092 -3.855 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 0.505 33.228 -11.286 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 1.306 32.753 -11.043 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 0.449 33.958 -10.630 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 3.495 26.392 -2.198 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 3.688 26.726 -1.308 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 2.965 25.576 -2.041 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -8.583 33.881 -11.163 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -7.656 33.669 -11.395 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.497 34.481 -10.400 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -0.539 25.001 -3.324 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -0.519 25.834 -2.789 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -1.491 24.825 -3.450 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -4.234 24.976 -8.081 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -3.948 25.802 -7.637 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -3.720 24.271 -7.626 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 3.731 30.992 -10.318 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 3.911 30.038 -10.140 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 4.187 31.165 -11.146 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 3.097 32.032 1.014 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 2.337 32.035 0.391 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 2.680 32.141 1.896 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -5.694 34.343 -7.461 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -5.202 34.827 -6.757 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -4.986 33.977 -8.038 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -4.808 35.911 1.933 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -4.805 36.864 1.761 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -4.634 35.507 1.050 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -2.141 38.088 3.088 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -1.642 37.360 2.660 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -1.755 38.153 3.965 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -4.295 35.457 -5.408 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -3.334 35.521 -5.322 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -4.610 35.363 -4.478 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 3.180 28.552 2.822 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 3.057 28.382 1.864 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 3.837 29.280 2.851 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -0.182 25.397 0.425 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -0.280 26.081 -0.260 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 0.229 25.875 1.180 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 2.560 28.023 0.169 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 1.570 27.959 0.167 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 2.750 28.716 -0.502 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 1.766 28.239 -8.109 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 1.416 27.803 -7.300 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 1.216 29.047 -8.198 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 4.023 28.366 -9.676 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 3.227 28.283 -9.107 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 4.433 27.498 -9.638 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -9.179 29.504 -11.897 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -8.804 30.348 -12.183 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -8.458 28.858 -12.045 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 0.965 31.921 -0.653 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 0.062 32.056 -1.023 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 1.318 31.152 -1.154 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 0.563 27.204 -5.912 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -0.353 27.511 -5.738 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 1.009 27.289 -5.042 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -3.262 27.255 -6.801 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -2.883 27.796 -7.530 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -2.784 27.570 -6.003 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 1.613 27.888 -3.491 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 0.812 27.731 -2.926 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 2.314 27.345 -3.065 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.038 28.460 -11.387 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.570 27.648 -11.245 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -3.110 28.159 -11.280 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -3.068 24.960 -10.619 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -3.377 24.739 -9.714 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -2.434 24.238 -10.841 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -1.873 33.153 -12.658 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -1.798 34.038 -13.024 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -1.016 33.015 -12.190 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -0.084 35.709 -1.974 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -0.610 35.492 -1.176 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.671 35.455 -2.721 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 2.545 29.947 -1.776 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 2.346 29.478 -2.609 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 3.184 30.647 -2.037 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -2.047 37.675 -2.496 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -1.114 37.527 -2.283 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -2.293 36.900 -3.028 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -6.717 31.284 -13.356 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -5.964 31.708 -12.894 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -6.369 30.408 -13.613 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 0.091 30.368 -7.806 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -0.416 30.562 -6.972 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 0.916 30.905 -7.721 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -4.031 37.830 -0.617 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -4.145 36.849 -0.676 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -3.271 38.015 -1.216 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 2.118 34.388 -1.198 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.443 34.924 -1.675 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.670 33.534 -1.034 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -3.809 30.605 -9.683 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -4.106 29.880 -10.273 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -3.185 30.164 -9.068 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -2.021 28.857 -8.616 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -1.209 29.351 -8.366 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -1.750 28.330 -9.399 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 3.790 24.739 -7.099 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 4.015 25.159 -6.233 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 4.641 24.490 -7.467 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -1.585 27.235 -10.774 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -0.687 26.921 -10.518 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -2.117 26.411 -10.820 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 1.729 24.319 -1.834 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 1.294 23.714 -1.200 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 1.082 24.401 -2.565 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 3.481 28.569 -5.510 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 3.151 28.937 -6.340 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 2.696 28.523 -4.937 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -1.116 32.917 -8.055 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -0.836 32.059 -8.421 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -1.132 32.769 -7.094 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -5.273 28.992 -13.780 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -4.780 28.936 -12.927 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -4.582 28.966 -14.452 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -7.994 35.198 -8.735 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -7.909 36.180 -8.808 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -7.129 34.912 -8.364 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -10.028 41.881 3.295 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -10.250 41.165 2.666 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -9.359 42.421 2.816 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -5.199 35.111 4.463 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -5.080 35.290 3.495 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -4.659 34.333 4.626 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -1.691 34.667 -0.023 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -2.643 34.898 -0.181 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -1.568 33.828 -0.515 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 3.981 32.324 -1.649 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 4.011 32.232 -0.681 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 3.575 33.198 -1.790 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 0.069 35.024 -9.260 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -0.360 34.290 -8.767 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -0.352 35.816 -8.916 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -4.252 31.898 -12.189 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -4.014 31.456 -11.352 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -3.406 32.306 -12.493 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 1.682 32.283 3.327 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 1.591 31.964 4.257 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 1.900 33.236 3.425 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 2.642 27.151 5.188 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 2.637 27.579 6.073 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 2.883 27.875 4.572 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 4.955 30.653 2.427 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 5.832 30.765 2.042 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 4.361 31.158 1.827 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 6.379 25.938 4.578 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 5.574 25.830 4.039 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 6.311 26.847 4.929 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -5.785 33.834 -11.011 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -5.255 33.253 -11.588 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -5.220 33.972 -10.234 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -7.899 37.903 -8.867 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -7.901 38.478 -9.640 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -8.491 38.356 -8.232 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -9.559 25.997 -7.481 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -9.144 26.189 -6.609 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -8.799 25.729 -8.043 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -8.268 39.869 -0.109 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -7.654 39.398 -0.723 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -7.675 40.254 0.570 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -4.520 38.823 1.958 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -4.359 38.679 0.999 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -3.634 38.682 2.373 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -8.154 43.275 1.916 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -8.553 43.437 1.033 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -7.481 42.580 1.753 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -6.680 40.850 1.893 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -7.154 40.359 2.598 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -5.810 40.410 1.843 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -9.855 39.469 -7.702 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -10.563 40.003 -7.294 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -9.760 39.850 -8.603 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -9.760 40.704 -10.107 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -10.557 41.197 -9.810 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -9.409 41.235 -10.826 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -6.341 38.787 -1.702 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -5.535 38.447 -1.253 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -6.067 38.904 -2.616 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -3.164 24.293 -4.129 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -3.947 23.887 -3.679 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -3.536 25.035 -4.627 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -5.402 26.047 -11.378 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.040 25.308 -11.282 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -4.535 25.644 -11.143 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -7.350 24.128 -11.167 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -7.341 23.229 -11.515 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -8.084 24.567 -11.652 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -2.645 23.244 -6.665 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -2.729 23.538 -5.741 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -1.766 22.836 -6.701 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 1.056 24.818 -7.185 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 2.040 24.728 -7.177 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 0.887 25.650 -6.691 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -3.767 33.247 -9.013 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -3.862 32.296 -9.252 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -2.830 33.330 -8.746 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -7.299 27.612 -12.542 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -6.641 27.084 -12.033 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -6.752 28.106 -13.189 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -1.135 23.145 -11.251 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -0.976 22.452 -11.899 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -0.252 23.433 -10.986 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 2.956 25.304 0.824 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 2.760 26.263 0.805 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 2.517 24.958 0.028 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -7.959 31.909 14.149 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -7.107 31.962 14.609 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -8.622 32.064 14.853 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -4.682 32.919 8.173 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -4.957 32.030 7.875 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -3.764 32.791 8.481 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -4.233 25.035 9.017 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -4.162 24.593 8.151 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -3.313 25.136 9.306 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -9.973 31.980 12.260 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -9.261 32.013 12.933 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -10.517 31.231 12.529 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -3.854 29.601 10.226 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -4.011 28.883 10.886 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -3.874 30.424 10.761 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -5.753 27.585 17.158 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -6.308 27.485 17.958 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -5.743 28.548 16.991 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.316 27.760 12.181 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -5.291 27.716 12.180 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -4.044 27.009 12.748 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -2.146 32.245 9.080 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -1.676 32.726 8.368 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -1.678 31.393 9.138 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.752 30.585 12.022 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -6.531 31.288 11.374 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -7.271 31.051 12.711 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -4.892 31.101 14.077 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -5.418 30.644 13.396 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -4.190 31.545 13.572 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 5.047 29.640 7.825 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 5.443 29.966 8.666 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 4.984 30.439 7.264 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -5.077 30.212 7.856 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -5.918 29.731 8.028 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -4.520 29.997 8.637 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -13.403 32.655 17.287 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -13.108 32.436 18.176 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -14.336 32.955 17.412 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -4.035 25.295 13.446 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -3.516 24.482 13.619 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -4.633 25.045 12.712 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 5.223 30.966 5.252 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 4.970 31.112 4.326 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 5.639 30.086 5.247 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -5.601 30.310 16.642 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -4.901 30.674 17.197 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -5.313 30.518 15.723 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -3.366 30.220 5.606 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -3.806 30.106 6.471 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -4.016 30.684 5.075 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -3.735 32.036 11.458 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -3.100 32.317 10.767 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -4.571 32.484 11.213 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -1.186 24.681 9.820 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -1.102 24.140 10.647 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -0.888 25.560 10.082 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 0.738 31.782 5.843 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 0.733 30.993 6.437 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 0.174 32.427 6.304 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -1.298 33.596 6.720 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -0.833 34.045 5.971 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -2.153 34.037 6.761 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 6.298 28.464 5.700 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 7.225 28.481 5.962 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 5.810 28.673 6.528 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 2.734 28.110 7.772 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 2.954 27.257 8.207 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 3.557 28.643 7.855 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -8.517 32.654 8.062 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -8.071 31.807 7.935 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -8.612 32.733 9.032 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 6.243 30.465 10.145 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 6.252 31.380 10.445 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 6.734 29.988 10.822 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 2.413 34.965 3.448 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 2.269 35.371 2.562 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 3.290 35.272 3.709 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -7.470 27.018 19.239 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -7.586 26.873 20.185 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -8.351 27.294 18.929 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -0.603 36.002 2.097 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -1.115 35.521 1.404 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 0.299 36.064 1.724 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -0.131 34.785 4.564 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 0.832 34.835 4.416 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -0.513 35.189 3.761 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -6.873 36.259 6.329 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -6.341 35.636 5.790 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -6.600 37.136 6.006 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 3.180 25.622 8.968 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 3.600 25.471 9.820 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 2.474 24.939 8.923 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -1.201 29.441 9.757 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.182 29.390 9.775 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -0.943 29.316 10.676 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 1.294 23.590 8.850 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 0.397 23.943 8.981 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 1.209 22.638 9.072 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -5.759 37.900 4.333 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -5.481 36.964 4.305 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -5.291 38.310 3.576 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -2.373 22.463 8.696 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -1.892 23.233 9.056 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -2.809 22.808 7.892 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -9.519 38.033 8.887 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -9.524 38.913 8.462 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -10.144 38.129 9.632 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 1.961 36.071 0.975 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 2.046 36.916 0.517 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 2.120 35.400 0.269 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -6.202 32.846 10.468 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -5.779 33.040 9.599 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -6.949 33.466 10.514 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -15.605 32.391 13.576 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -15.915 33.104 12.971 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -14.691 32.666 13.828 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 3.904 25.327 3.503 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 3.556 25.458 2.597 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 3.397 25.963 4.051 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -9.666 28.461 17.518 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -10.120 28.863 16.736 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -9.403 27.563 17.206 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -7.089 27.905 11.807 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -6.962 28.877 11.926 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -7.968 27.738 12.168 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -9.124 33.803 10.425 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -9.412 33.150 11.107 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -9.833 34.485 10.436 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -9.274 25.855 17.048 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -8.618 25.138 17.010 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -10.094 25.453 16.699 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -0.929 23.080 11.988 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -1.603 23.002 12.692 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -0.430 22.253 12.045 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -11.024 35.732 10.081 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -11.822 35.872 9.527 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -10.992 36.527 10.647 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 0.427 29.679 7.545 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -0.117 29.522 8.345 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 1.211 29.104 7.671 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -6.814 24.581 17.919 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -6.089 24.701 17.269 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.901 25.458 18.342 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -8.013 39.220 3.651 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -7.251 38.699 3.999 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -8.560 39.402 4.443 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -8.470 45.114 3.942 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -8.342 44.522 3.167 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -7.683 45.665 3.950 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 7.942 0.265 -2.937 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 7.434 0.388 -2.102 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 8.702 0.875 -2.846 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 3.154 0.327 -4.695 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 3.521 1.188 -4.465 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 2.253 0.533 -5.021 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 10.793 1.204 0.006 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 10.893 0.445 0.609 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 9.924 1.600 0.260 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 12.596 -2.465 0.162 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 12.487 -3.344 0.594 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 13.523 -2.445 -0.101 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 12.052 -4.922 1.299 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 12.495 -5.733 1.576 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 11.330 -5.232 0.705 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 10.208 1.909 -2.671 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 10.375 1.692 -1.727 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 11.083 2.105 -3.023 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 11.616 2.925 2.137 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 11.523 2.384 1.334 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 11.756 2.268 2.854 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 11.088 -0.912 1.861 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 11.741 -1.295 1.236 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 10.682 -1.705 2.293 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 9.613 -4.902 -3.035 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 9.884 -5.252 -3.888 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 9.412 -3.964 -3.211 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 8.424 2.351 0.539 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 8.259 3.309 0.437 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 7.613 1.928 0.198 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 11.942 0.807 3.836 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 12.481 0.301 4.450 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 11.632 0.145 3.185 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 9.559 6.350 -1.729 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 9.675 6.047 -2.636 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 9.988 7.211 -1.710 1.00 0.00 WAT1 END