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: -1774.76, 76.4681, 90.8203, 48.1198, 423.154, -288.999, -2126, 1.57194, 9.953824E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.088149E-03,0.465315,1.30417,42.3103,3.918984E-03,0.144729 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 17, 2 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -3.421 -26.369 19.240 1.00 21.53 ATOM 2 CB MET 1 -4.063 -26.092 17.216 1.00 14.32 ATOM 3 HB1 MET 1 -3.699 -25.100 16.985 1.00 36.04 ATOM 4 HB2 MET 1 -4.981 -26.262 16.674 1.00 3.43 ATOM 5 CG MET 1 -3.029 -27.099 16.735 1.00 24.21 ATOM 6 HG1 MET 1 -2.902 -26.987 15.669 1.00 36.04 ATOM 7 HG2 MET 1 -3.384 -28.097 16.953 1.00 70.22 ATOM 8 SD MET 1 -1.428 -26.866 17.537 1.00 41.24 ATOM 9 CE MET 1 -0.449 -28.135 16.729 1.00 34.43 ATOM 10 HE1 MET 1 0.555 -28.121 17.126 1.00 11.14 ATOM 11 HE2 MET 1 -0.419 -27.945 15.666 1.00 20.22 ATOM 12 HE3 MET 1 -0.893 -29.103 16.909 1.00 20.30 ATOM 13 C MET 1 -4.926 -24.859 19.236 1.00 70.53 ATOM 14 O MET 1 -6.015 -24.819 19.814 1.00 10.44 ATOM 15 N MET 1 -5.259 -27.329 19.009 1.00 44.43 ATOM 16 HT1 MET 1 -4.799 -28.226 18.754 1.00 36.04 ATOM 17 HT2 MET 1 -6.142 -27.238 18.463 1.00 36.04 ATOM 18 HT3 MET 1 -5.496 -27.354 20.021 1.00 36.04 ATOM 19 CA MET 1 -4.352 -26.185 18.721 1.00 73.14 ATOM 20 N GLY 2 -4.177 -23.779 19.014 1.00 60.53 ATOM 21 HN GLY 2 -3.385 -23.859 18.440 1.00 36.04 ATOM 22 CA GLY 2 -4.503 -22.485 19.601 1.00 64.23 ATOM 23 HA1 GLY 2 -3.706 -21.797 19.359 1.00 36.04 ATOM 24 HA2 GLY 2 -4.536 -22.596 20.674 1.00 73.51 ATOM 25 C GLY 2 -5.825 -21.878 19.141 1.00 63.12 ATOM 26 O GLY 2 -5.862 -21.104 18.184 1.00 33.14 ATOM 27 N HIS 3 -6.911 -22.211 19.834 1.00 1.55 ATOM 28 HN HIS 3 -6.853 -22.937 20.491 1.00 36.04 ATOM 29 CA HIS 3 -8.190 -21.520 19.634 1.00 34.22 ATOM 30 HA HIS 3 -8.291 -21.300 18.579 1.00 24.11 ATOM 31 CB HIS 3 -9.366 -22.406 20.083 1.00 1.32 ATOM 32 HB1 HIS 3 -10.292 -21.874 19.917 1.00 36.04 ATOM 33 HB2 HIS 3 -9.266 -22.621 21.138 1.00 61.52 ATOM 34 CG HIS 3 -9.451 -23.713 19.356 1.00 13.33 ATOM 35 ND1 HIS 3 -9.010 -24.905 19.890 1.00 63.10 ATOM 36 HD1 HIS 3 -8.597 -25.021 20.774 1.00 22.40 ATOM 37 CD2 HIS 3 -9.949 -24.017 18.134 1.00 1.03 ATOM 38 HD2 HIS 3 -10.386 -23.323 17.428 1.00 41.04 ATOM 39 CE1 HIS 3 -9.229 -25.879 19.030 1.00 43.44 ATOM 40 HE1 HIS 3 -8.979 -26.919 19.177 1.00 44.31 ATOM 41 NE2 HIS 3 -9.797 -25.370 17.956 1.00 3.53 ATOM 42 HE2 HIS 3 -9.904 -25.846 17.101 1.00 36.04 ATOM 43 C HIS 3 -8.184 -20.196 20.419 1.00 31.53 ATOM 44 O HIS 3 -8.972 -19.998 21.345 1.00 44.32 ATOM 45 N HIS 4 -7.272 -19.301 20.043 1.00 12.21 ATOM 46 HN HIS 4 -6.770 -19.459 19.215 1.00 36.04 ATOM 47 CA HIS 4 -6.992 -18.091 20.820 1.00 73.31 ATOM 48 HA HIS 4 -6.721 -18.401 21.820 1.00 24.40 ATOM 49 CB HIS 4 -5.798 -17.348 20.200 1.00 1.21 ATOM 50 HB1 HIS 4 -6.120 -16.868 19.287 1.00 36.04 ATOM 51 HB2 HIS 4 -5.024 -18.066 19.965 1.00 2.24 ATOM 52 CG HIS 4 -5.193 -16.298 21.091 1.00 3.44 ATOM 53 ND1 HIS 4 -4.211 -16.577 22.016 1.00 11.25 ATOM 54 HD1 HIS 4 -3.820 -17.462 22.190 1.00 31.43 ATOM 55 CD2 HIS 4 -5.418 -14.963 21.184 1.00 11.44 ATOM 56 HD2 HIS 4 -6.121 -14.389 20.598 1.00 24.23 ATOM 57 CE1 HIS 4 -3.864 -15.471 22.641 1.00 33.11 ATOM 58 HE1 HIS 4 -3.114 -15.392 23.414 1.00 75.44 ATOM 59 NE2 HIS 4 -4.579 -14.476 22.158 1.00 31.31 ATOM 60 HE2 HIS 4 -4.355 -13.527 22.280 1.00 36.04 ATOM 61 C HIS 4 -8.215 -17.162 20.908 1.00 14.32 ATOM 62 O HIS 4 -8.666 -16.612 19.902 1.00 60.34 ATOM 63 N HIS 5 -8.752 -16.995 22.116 1.00 32.11 ATOM 64 HN HIS 5 -8.398 -17.512 22.871 1.00 36.04 ATOM 65 CA HIS 5 -9.865 -16.065 22.336 1.00 61.31 ATOM 66 HA HIS 5 -10.607 -16.278 21.578 1.00 14.30 ATOM 67 CB HIS 5 -10.509 -16.285 23.721 1.00 2.31 ATOM 68 HB1 HIS 5 -11.035 -17.231 23.713 1.00 36.04 ATOM 69 HB2 HIS 5 -11.220 -15.494 23.906 1.00 0.33 ATOM 70 CG HIS 5 -9.547 -16.307 24.874 1.00 14.30 ATOM 71 ND1 HIS 5 -8.948 -17.462 25.330 1.00 5.11 ATOM 72 HD1 HIS 5 -9.082 -18.361 24.960 1.00 21.23 ATOM 73 CD2 HIS 5 -9.087 -15.314 25.674 1.00 31.30 ATOM 74 HD2 HIS 5 -9.345 -14.267 25.611 1.00 44.23 ATOM 75 CE1 HIS 5 -8.170 -17.183 26.354 1.00 2.54 ATOM 76 HE1 HIS 5 -7.574 -17.893 26.908 1.00 32.40 ATOM 77 NE2 HIS 5 -8.234 -15.889 26.582 1.00 52.41 ATOM 78 HE2 HIS 5 -7.824 -15.431 27.348 1.00 36.04 ATOM 79 C HIS 5 -9.404 -14.605 22.154 1.00 33.12 ATOM 80 O HIS 5 -8.690 -14.055 22.992 1.00 23.32 ATOM 81 N HIS 6 -9.798 -13.999 21.035 1.00 32.31 ATOM 82 HN HIS 6 -10.375 -14.492 20.414 1.00 36.04 ATOM 83 CA HIS 6 -9.388 -12.626 20.697 1.00 71.12 ATOM 84 HA HIS 6 -8.318 -12.560 20.843 1.00 64.34 ATOM 85 CB HIS 6 -9.698 -12.333 19.224 1.00 23.15 ATOM 86 HB1 HIS 6 -9.158 -13.037 18.605 1.00 36.04 ATOM 87 HB2 HIS 6 -9.370 -11.332 18.985 1.00 12.05 ATOM 88 CG HIS 6 -11.155 -12.433 18.871 1.00 42.33 ATOM 89 ND1 HIS 6 -11.985 -11.338 18.788 1.00 71.41 ATOM 90 HD1 HIS 6 -11.722 -10.406 18.941 1.00 30.30 ATOM 91 CD2 HIS 6 -11.928 -13.506 18.572 1.00 72.13 ATOM 92 HD2 HIS 6 -11.606 -14.537 18.538 1.00 13.15 ATOM 93 CE1 HIS 6 -13.196 -11.727 18.454 1.00 65.03 ATOM 94 HE1 HIS 6 -14.049 -11.082 18.311 1.00 21.40 ATOM 95 NE2 HIS 6 -13.192 -13.036 18.317 1.00 24.02 ATOM 96 HE2 HIS 6 -14.002 -13.594 18.278 1.00 36.04 ATOM 97 C HIS 6 -10.069 -11.579 21.599 1.00 13.13 ATOM 98 O HIS 6 -11.139 -11.828 22.155 1.00 2.01 ATOM 99 N HIS 7 -9.448 -10.403 21.721 1.00 2.43 ATOM 100 HN HIS 7 -8.613 -10.253 21.230 1.00 36.04 ATOM 101 CA HIS 7 -9.979 -9.323 22.566 1.00 23.42 ATOM 102 HA HIS 7 -11.014 -9.551 22.786 1.00 55.51 ATOM 103 CB HIS 7 -9.193 -9.249 23.884 1.00 62.41 ATOM 104 HB1 HIS 7 -8.178 -8.939 23.673 1.00 36.04 ATOM 105 HB2 HIS 7 -9.173 -10.229 24.337 1.00 5.22 ATOM 106 CG HIS 7 -9.764 -8.294 24.894 1.00 72.31 ATOM 107 ND1 HIS 7 -10.556 -8.700 25.948 1.00 20.44 ATOM 108 HD1 HIS 7 -10.817 -9.627 26.149 1.00 41.14 ATOM 109 CD2 HIS 7 -9.651 -6.946 25.014 1.00 11.31 ATOM 110 HD2 HIS 7 -9.098 -6.288 24.359 1.00 60.31 ATOM 111 CE1 HIS 7 -10.903 -7.652 26.667 1.00 23.44 ATOM 112 HE1 HIS 7 -11.518 -7.671 27.553 1.00 12.44 ATOM 113 NE2 HIS 7 -10.369 -6.580 26.124 1.00 62.23 ATOM 114 HE2 HIS 7 -10.564 -5.657 26.399 1.00 36.04 ATOM 115 C HIS 7 -9.921 -7.968 21.839 1.00 61.20 ATOM 116 O HIS 7 -8.942 -7.654 21.157 1.00 4.21 ATOM 117 N HIS 8 -10.973 -7.167 21.995 1.00 31.35 ATOM 118 HN HIS 8 -11.735 -7.488 22.527 1.00 36.04 ATOM 119 CA HIS 8 -11.042 -5.832 21.389 1.00 33.45 ATOM 120 HA HIS 8 -10.031 -5.506 21.185 1.00 13.52 ATOM 121 CB HIS 8 -11.821 -5.894 20.067 1.00 4.11 ATOM 122 HB1 HIS 8 -12.812 -6.279 20.261 1.00 36.04 ATOM 123 HB2 HIS 8 -11.311 -6.560 19.387 1.00 15.33 ATOM 124 CG HIS 8 -11.963 -4.563 19.387 1.00 1.10 ATOM 125 ND1 HIS 8 -10.916 -3.913 18.770 1.00 53.21 ATOM 126 HD1 HIS 8 -9.989 -4.235 18.717 1.00 51.12 ATOM 127 CD2 HIS 8 -13.039 -3.753 19.240 1.00 54.33 ATOM 128 HD2 HIS 8 -14.040 -3.945 19.602 1.00 61.33 ATOM 129 CE1 HIS 8 -11.340 -2.766 18.280 1.00 2.41 ATOM 130 HE1 HIS 8 -10.738 -2.048 17.742 1.00 61.42 ATOM 131 NE2 HIS 8 -12.621 -2.644 18.550 1.00 22.11 ATOM 132 HE2 HIS 8 -13.143 -1.818 18.438 1.00 36.04 ATOM 133 C HIS 8 -11.701 -4.821 22.341 1.00 1.45 ATOM 134 O HIS 8 -12.769 -5.081 22.893 1.00 54.43 ATOM 135 N SER 9 -11.059 -3.671 22.527 1.00 52.51 ATOM 136 HN SER 9 -10.200 -3.524 22.072 1.00 36.04 ATOM 137 CA SER 9 -11.596 -2.613 23.399 1.00 2.25 ATOM 138 HA SER 9 -12.167 -3.088 24.185 1.00 64.51 ATOM 139 CB SER 9 -10.452 -1.811 24.032 1.00 33.24 ATOM 140 HB1 SER 9 -10.862 -1.087 24.719 1.00 36.04 ATOM 141 HB2 SER 9 -9.899 -1.298 23.258 1.00 50.13 ATOM 142 OG SER 9 -9.559 -2.658 24.740 1.00 33.22 ATOM 143 HG SER 9 -9.079 -2.137 25.398 1.00 31.23 ATOM 144 C SER 9 -12.520 -1.666 22.622 1.00 30.12 ATOM 145 O SER 9 -12.338 -1.450 21.424 1.00 20.53 ATOM 146 N HIS 10 -13.515 -1.104 23.309 1.00 62.32 ATOM 147 HN HIS 10 -13.609 -1.311 24.264 1.00 36.04 ATOM 148 CA HIS 10 -14.472 -0.179 22.683 1.00 65.43 ATOM 149 HA HIS 10 -14.383 -0.288 21.610 1.00 52.43 ATOM 150 CB HIS 10 -15.907 -0.537 23.093 1.00 62.23 ATOM 151 HB1 HIS 10 -16.584 0.216 22.711 1.00 36.04 ATOM 152 HB2 HIS 10 -15.973 -0.556 24.171 1.00 74.32 ATOM 153 CG HIS 10 -16.363 -1.868 22.578 1.00 44.03 ATOM 154 ND1 HIS 10 -16.676 -2.931 23.396 1.00 50.41 ATOM 155 HD1 HIS 10 -16.628 -2.937 24.376 1.00 14.43 ATOM 156 CD2 HIS 10 -16.573 -2.302 21.311 1.00 22.54 ATOM 157 HD2 HIS 10 -16.427 -1.730 20.405 1.00 3.44 ATOM 158 CE1 HIS 10 -17.056 -3.955 22.660 1.00 21.42 ATOM 159 HE1 HIS 10 -17.365 -4.919 23.033 1.00 54.53 ATOM 160 NE2 HIS 10 -17.003 -3.601 21.393 1.00 1.00 ATOM 161 HE2 HIS 10 -17.041 -4.230 20.638 1.00 36.04 ATOM 162 C HIS 10 -14.178 1.286 23.049 1.00 61.21 ATOM 163 O HIS 10 -13.825 1.598 24.187 1.00 42.14 ATOM 164 N MET 11 -14.337 2.182 22.072 1.00 72.21 ATOM 165 HN MET 11 -14.628 1.868 21.190 1.00 36.04 ATOM 166 CA MET 11 -14.092 3.621 22.266 1.00 31.44 ATOM 167 HA MET 11 -13.902 3.796 23.317 1.00 50.15 ATOM 168 CB MET 11 -12.862 4.053 21.453 1.00 43.23 ATOM 169 HB1 MET 11 -12.688 5.109 21.614 1.00 36.04 ATOM 170 HB2 MET 11 -13.067 3.892 20.404 1.00 43.22 ATOM 171 CG MET 11 -11.588 3.296 21.812 1.00 40.24 ATOM 172 HG1 MET 11 -11.768 2.238 21.692 1.00 36.04 ATOM 173 HG2 MET 11 -11.341 3.501 22.843 1.00 41.43 ATOM 174 SD MET 11 -10.181 3.764 20.779 1.00 52.44 ATOM 175 CE MET 11 -10.759 3.266 19.156 1.00 2.35 ATOM 176 HE1 MET 11 -10.005 3.499 18.420 1.00 12.44 ATOM 177 HE2 MET 11 -11.670 3.796 18.921 1.00 15.13 ATOM 178 HE3 MET 11 -10.949 2.203 19.153 1.00 4.10 ATOM 179 C MET 11 -15.312 4.452 21.839 1.00 0.33 ATOM 180 O MET 11 -16.222 3.940 21.183 1.00 63.32 ATOM 181 N ALA 12 -15.333 5.734 22.206 1.00 24.33 ATOM 182 HN ALA 12 -14.592 6.091 22.742 1.00 36.04 ATOM 183 CA ALA 12 -16.446 6.621 21.835 1.00 62.30 ATOM 184 HA ALA 12 -16.723 6.390 20.814 1.00 22.23 ATOM 185 CB ALA 12 -17.658 6.343 22.719 1.00 11.33 ATOM 186 HB1 ALA 12 -17.415 6.562 23.749 1.00 22.13 ATOM 187 HB2 ALA 12 -17.939 5.304 22.630 1.00 43.53 ATOM 188 HB3 ALA 12 -18.485 6.964 22.403 1.00 31.55 ATOM 189 C ALA 12 -16.060 8.109 21.910 1.00 12.24 ATOM 190 O ALA 12 -15.979 8.690 22.998 1.00 33.11 ATOM 191 N LYS 13 -15.831 8.721 20.747 1.00 51.01 ATOM 192 HN LYS 13 -15.900 8.201 19.918 1.00 36.04 ATOM 193 CA LYS 13 -15.492 10.151 20.661 1.00 20.22 ATOM 194 HA LYS 13 -15.256 10.496 21.660 1.00 21.22 ATOM 195 CB LYS 13 -14.268 10.376 19.755 1.00 42.14 ATOM 196 HB1 LYS 13 -14.066 11.439 19.708 1.00 36.04 ATOM 197 HB2 LYS 13 -14.505 10.027 18.760 1.00 25.43 ATOM 198 CG LYS 13 -12.988 9.671 20.212 1.00 33.03 ATOM 199 HG1 LYS 13 -12.880 9.804 21.280 1.00 36.04 ATOM 200 HG2 LYS 13 -12.144 10.120 19.709 1.00 45.31 ATOM 201 CD LYS 13 -13.005 8.175 19.900 1.00 45.44 ATOM 202 HD1 LYS 13 -13.131 8.042 18.834 1.00 36.04 ATOM 203 HD2 LYS 13 -13.835 7.717 20.421 1.00 4.53 ATOM 204 CE LYS 13 -11.714 7.489 20.334 1.00 4.41 ATOM 205 HE1 LYS 13 -11.792 6.433 20.114 1.00 36.04 ATOM 206 HE2 LYS 13 -11.590 7.623 21.398 1.00 50.25 ATOM 207 NZ LYS 13 -10.516 8.037 19.638 1.00 13.13 ATOM 208 HZ1 LYS 13 -9.651 7.595 20.012 1.00 23.52 ATOM 209 HZ2 LYS 13 -10.454 9.065 19.777 1.00 43.22 ATOM 210 HZ3 LYS 13 -10.571 7.843 18.617 1.00 62.20 ATOM 211 C LYS 13 -16.682 10.964 20.116 1.00 1.23 ATOM 212 O LYS 13 -17.184 10.680 19.025 1.00 34.21 ATOM 213 N PRO 14 -17.152 11.984 20.864 1.00 34.41 ATOM 214 CA PRO 14 -18.286 12.819 20.444 1.00 74.25 ATOM 215 HA PRO 14 -19.062 12.228 19.976 1.00 21.34 ATOM 216 CB PRO 14 -18.796 13.375 21.777 1.00 14.02 ATOM 217 HB1 PRO 14 -19.508 12.686 22.209 1.00 36.04 ATOM 218 HB2 PRO 14 -19.269 14.335 21.619 1.00 13.35 ATOM 219 CG PRO 14 -17.571 13.495 22.627 1.00 11.53 ATOM 220 HG1 PRO 14 -17.835 13.361 23.667 1.00 36.04 ATOM 221 HG2 PRO 14 -17.115 14.466 22.481 1.00 5.21 ATOM 222 CD PRO 14 -16.624 12.401 22.180 1.00 52.03 ATOM 223 HD1 PRO 14 -16.645 11.578 22.880 1.00 36.04 ATOM 224 HD2 PRO 14 -15.619 12.785 22.083 1.00 35.32 ATOM 225 C PRO 14 -17.875 13.958 19.492 1.00 72.14 ATOM 226 O PRO 14 -17.144 14.873 19.874 1.00 61.34 ATOM 227 N THR 15 -18.328 13.893 18.242 1.00 22.10 ATOM 228 HN THR 15 -18.871 13.122 17.968 1.00 36.04 ATOM 229 CA THR 15 -18.026 14.944 17.261 1.00 52.14 ATOM 230 HA THR 15 -17.009 15.273 17.434 1.00 45.44 ATOM 231 CB THR 15 -18.119 14.423 15.803 1.00 33.41 ATOM 232 HB THR 15 -17.851 15.228 15.133 1.00 21.31 ATOM 233 OG1 THR 15 -19.457 13.998 15.502 1.00 50.05 ATOM 234 HG1 THR 15 -19.728 14.378 14.654 1.00 52.03 ATOM 235 CG2 THR 15 -17.154 13.263 15.576 1.00 41.13 ATOM 236 HG21 THR 15 -16.140 13.602 15.731 1.00 4.41 ATOM 237 HG22 THR 15 -17.262 12.897 14.565 1.00 55.42 ATOM 238 HG23 THR 15 -17.376 12.465 16.271 1.00 61.31 ATOM 239 C THR 15 -18.965 16.148 17.434 1.00 41.25 ATOM 240 O THR 15 -19.974 16.280 16.737 1.00 14.32 ATOM 241 N ALA 16 -18.638 17.012 18.393 1.00 11.24 ATOM 242 HN ALA 16 -17.822 16.855 18.914 1.00 36.04 ATOM 243 CA ALA 16 -19.465 18.183 18.700 1.00 0.24 ATOM 244 HA ALA 16 -20.499 17.861 18.721 1.00 4.23 ATOM 245 CB ALA 16 -19.116 18.718 20.085 1.00 13.15 ATOM 246 HB1 ALA 16 -19.777 19.536 20.335 1.00 1.22 ATOM 247 HB2 ALA 16 -18.093 19.067 20.092 1.00 5.23 ATOM 248 HB3 ALA 16 -19.230 17.929 20.814 1.00 30.13 ATOM 249 C ALA 16 -19.313 19.290 17.640 1.00 52.02 ATOM 250 O ALA 16 -18.330 20.034 17.638 1.00 44.43 ATOM 251 N ARG 17 -20.296 19.406 16.746 1.00 4.43 ATOM 252 HN ARG 17 -21.056 18.789 16.796 1.00 36.04 ATOM 253 CA ARG 17 -20.275 20.429 15.689 1.00 62.31 ATOM 254 HA ARG 17 -19.369 21.010 15.799 1.00 31.23 ATOM 255 CB ARG 17 -20.276 19.768 14.299 1.00 65.12 ATOM 256 HB1 ARG 17 -19.445 19.077 14.241 1.00 36.04 ATOM 257 HB2 ARG 17 -20.146 20.534 13.547 1.00 32.31 ATOM 258 CG ARG 17 -21.559 19.001 13.985 1.00 22.44 ATOM 259 HG1 ARG 17 -22.405 19.657 14.142 1.00 36.04 ATOM 260 HG2 ARG 17 -21.633 18.155 14.653 1.00 22.52 ATOM 261 CD ARG 17 -21.590 18.492 12.547 1.00 0.20 ATOM 262 HD1 ARG 17 -20.801 17.762 12.419 1.00 36.04 ATOM 263 HD2 ARG 17 -21.422 19.325 11.879 1.00 62.22 ATOM 264 NE ARG 17 -22.872 17.867 12.221 1.00 40.52 ATOM 265 HE ARG 17 -23.338 17.394 12.939 1.00 42.12 ATOM 266 CZ ARG 17 -23.433 17.901 11.038 1.00 23.21 ATOM 267 NH1 ARG 17 -22.869 18.523 10.050 1.00 74.03 ATOM 268 HH11 ARG 17 -21.995 18.992 10.186 1.00 20.02 ATOM 269 HH12 ARG 17 -23.302 18.528 9.151 1.00 35.32 ATOM 270 NH2 ARG 17 -24.574 17.320 10.847 1.00 45.44 ATOM 271 HH21 ARG 17 -25.026 16.848 11.605 1.00 64.32 ATOM 272 HH22 ARG 17 -25.006 17.349 9.947 1.00 62.40 ATOM 273 C ARG 17 -21.480 21.379 15.803 1.00 61.53 ATOM 274 O ARG 17 -22.438 21.105 16.525 1.00 74.12 ATOM 275 N GLY 18 -21.425 22.495 15.078 1.00 15.52 ATOM 276 HN GLY 18 -20.613 22.686 14.561 1.00 36.04 ATOM 277 CA GLY 18 -22.538 23.442 15.053 1.00 52.40 ATOM 278 HA1 GLY 18 -22.394 24.172 15.839 1.00 36.04 ATOM 279 HA2 GLY 18 -23.462 22.910 15.235 1.00 72.40 ATOM 280 C GLY 18 -22.644 24.168 13.718 1.00 41.01 ATOM 281 O GLY 18 -22.347 25.362 13.622 1.00 34.43 ATOM 282 N GLU 19 -23.074 23.449 12.683 1.00 65.21 ATOM 283 HN GLU 19 -23.407 22.541 12.842 1.00 36.04 ATOM 284 CA GLU 19 -23.078 23.978 11.310 1.00 52.14 ATOM 285 HA GLU 19 -22.490 24.885 11.299 1.00 44.01 ATOM 286 CB GLU 19 -22.431 22.957 10.362 1.00 12.31 ATOM 287 HB1 GLU 19 -22.331 23.404 9.384 1.00 36.04 ATOM 288 HB2 GLU 19 -23.077 22.093 10.288 1.00 74.25 ATOM 289 CG GLU 19 -21.055 22.488 10.816 1.00 74.42 ATOM 290 HG1 GLU 19 -21.157 21.996 11.773 1.00 36.04 ATOM 291 HG2 GLU 19 -20.412 23.350 10.925 1.00 54.11 ATOM 292 CD GLU 19 -20.415 21.521 9.838 1.00 73.14 ATOM 293 OE1 GLU 19 -19.435 21.906 9.168 1.00 51.22 ATOM 294 OE2 GLU 19 -20.893 20.374 9.726 1.00 41.40 ATOM 295 C GLU 19 -24.496 24.299 10.816 1.00 4.21 ATOM 296 O GLU 19 -25.482 23.757 11.314 1.00 2.15 ATOM 297 N ALA 20 -24.585 25.182 9.825 1.00 32.14 ATOM 298 HN ALA 20 -23.769 25.626 9.511 1.00 36.04 ATOM 299 CA ALA 20 -25.865 25.515 9.186 1.00 42.32 ATOM 300 HA ALA 20 -26.658 25.332 9.901 1.00 42.23 ATOM 301 CB ALA 20 -25.897 26.990 8.808 1.00 40.35 ATOM 302 HB1 ALA 20 -25.717 27.592 9.687 1.00 55.25 ATOM 303 HB2 ALA 20 -26.865 27.235 8.397 1.00 5.50 ATOM 304 HB3 ALA 20 -25.132 27.189 8.072 1.00 64.13 ATOM 305 C ALA 20 -26.110 24.647 7.942 1.00 43.22 ATOM 306 O ALA 20 -27.230 24.566 7.437 1.00 23.03 ATOM 307 N GLY 21 -25.048 24.013 7.446 1.00 63.14 ATOM 308 HN GLY 21 -24.175 24.149 7.870 1.00 36.04 ATOM 309 CA GLY 21 -25.160 23.127 6.293 1.00 14.33 ATOM 310 HA1 GLY 21 -26.086 22.575 6.367 1.00 36.04 ATOM 311 HA2 GLY 21 -24.338 22.425 6.319 1.00 22.21 ATOM 312 C GLY 21 -25.130 23.863 4.956 1.00 11.43 ATOM 313 O GLY 21 -25.914 23.560 4.054 1.00 32.42 ATOM 314 N SER 22 -24.219 24.826 4.825 1.00 13.21 ATOM 315 HN SER 22 -23.623 25.022 5.579 1.00 36.04 ATOM 316 CA SER 22 -24.080 25.600 3.580 1.00 3.00 ATOM 317 HA SER 22 -25.077 25.808 3.214 1.00 13.44 ATOM 318 CB SER 22 -23.367 26.937 3.846 1.00 3.32 ATOM 319 HB1 SER 22 -22.442 26.752 4.371 1.00 36.04 ATOM 320 HB2 SER 22 -24.001 27.566 4.454 1.00 53.34 ATOM 321 OG SER 22 -23.072 27.621 2.635 1.00 15.15 ATOM 322 HG SER 22 -22.362 28.260 2.792 1.00 3.40 ATOM 323 C SER 22 -23.318 24.811 2.504 1.00 3.30 ATOM 324 O SER 22 -22.415 24.028 2.812 1.00 23.31 ATOM 325 N ARG 23 -23.688 25.037 1.245 1.00 64.53 ATOM 326 HN ARG 23 -24.404 25.686 1.076 1.00 36.04 ATOM 327 CA ARG 23 -23.074 24.356 0.096 1.00 74.00 ATOM 328 HA ARG 23 -23.346 23.312 0.139 1.00 53.20 ATOM 329 CB ARG 23 -23.628 24.965 -1.201 1.00 11.44 ATOM 330 HB1 ARG 23 -23.481 26.037 -1.167 1.00 36.04 ATOM 331 HB2 ARG 23 -24.689 24.763 -1.254 1.00 1.44 ATOM 332 CG ARG 23 -22.980 24.436 -2.479 1.00 12.30 ATOM 333 HG1 ARG 23 -23.397 23.466 -2.710 1.00 36.04 ATOM 334 HG2 ARG 23 -21.914 24.343 -2.322 1.00 12.42 ATOM 335 CD ARG 23 -23.224 25.378 -3.654 1.00 64.01 ATOM 336 HD1 ARG 23 -24.290 25.473 -3.812 1.00 36.04 ATOM 337 HD2 ARG 23 -22.766 24.957 -4.538 1.00 33.32 ATOM 338 NE ARG 23 -22.653 26.705 -3.408 1.00 72.41 ATOM 339 HE ARG 23 -21.709 26.751 -3.144 1.00 62.05 ATOM 340 CZ ARG 23 -23.310 27.829 -3.511 1.00 3.33 ATOM 341 NH1 ARG 23 -24.564 27.837 -3.834 1.00 1.15 ATOM 342 HH11 ARG 23 -25.038 26.983 -4.007 1.00 64.15 ATOM 343 HH12 ARG 23 -25.056 28.707 -3.904 1.00 70.11 ATOM 344 NH2 ARG 23 -22.707 28.944 -3.259 1.00 32.55 ATOM 345 HH21 ARG 23 -21.743 28.936 -2.981 1.00 41.13 ATOM 346 HH22 ARG 23 -23.200 29.808 -3.339 1.00 65.50 ATOM 347 C ARG 23 -21.542 24.477 0.098 1.00 14.43 ATOM 348 O ARG 23 -20.819 23.475 0.097 1.00 34.24 ATOM 349 N ASP 24 -21.057 25.716 0.101 1.00 52.32 ATOM 350 HN ASP 24 -21.681 26.471 0.185 1.00 36.04 ATOM 351 CA ASP 24 -19.622 25.991 -0.026 1.00 70.04 ATOM 352 HA ASP 24 -19.289 25.543 -0.951 1.00 33.43 ATOM 353 CB ASP 24 -19.386 27.500 -0.103 1.00 72.30 ATOM 354 HB1 ASP 24 -18.379 27.685 -0.454 1.00 36.04 ATOM 355 HB2 ASP 24 -19.502 27.933 0.882 1.00 4.24 ATOM 356 CG ASP 24 -20.359 28.177 -1.051 1.00 11.24 ATOM 357 OD1 ASP 24 -21.279 28.864 -0.563 1.00 21.42 ATOM 358 OD2 ASP 24 -20.234 27.994 -2.282 1.00 53.34 ATOM 359 C ASP 24 -18.813 25.374 1.129 1.00 43.44 ATOM 360 O ASP 24 -17.630 25.067 0.971 1.00 2.32 ATOM 361 N GLU 25 -19.460 25.177 2.280 1.00 73.02 ATOM 362 HN GLU 25 -20.392 25.472 2.357 1.00 36.04 ATOM 363 CA GLU 25 -18.818 24.528 3.432 1.00 72.15 ATOM 364 HA GLU 25 -17.970 25.133 3.722 1.00 24.10 ATOM 365 CB GLU 25 -19.795 24.434 4.616 1.00 0.35 ATOM 366 HB1 GLU 25 -19.327 23.870 5.410 1.00 36.04 ATOM 367 HB2 GLU 25 -20.682 23.908 4.293 1.00 42.13 ATOM 368 CG GLU 25 -20.225 25.785 5.180 1.00 41.11 ATOM 369 HG1 GLU 25 -20.969 25.619 5.948 1.00 36.04 ATOM 370 HG2 GLU 25 -20.663 26.367 4.382 1.00 12.34 ATOM 371 CD GLU 25 -19.073 26.574 5.783 1.00 44.42 ATOM 372 OE1 GLU 25 -18.641 27.575 5.170 1.00 23.21 ATOM 373 OE2 GLU 25 -18.595 26.198 6.874 1.00 0.53 ATOM 374 C GLU 25 -18.317 23.124 3.063 1.00 14.20 ATOM 375 O GLU 25 -17.197 22.741 3.400 1.00 2.35 ATOM 376 N ARG 26 -19.161 22.355 2.369 1.00 21.43 ATOM 377 HN ARG 26 -20.055 22.700 2.152 1.00 36.04 ATOM 378 CA ARG 26 -18.780 21.013 1.907 1.00 64.14 ATOM 379 HA ARG 26 -18.388 20.479 2.761 1.00 23.12 ATOM 380 CB ARG 26 -20.005 20.252 1.371 1.00 11.12 ATOM 381 HB1 ARG 26 -19.672 19.534 0.634 1.00 36.04 ATOM 382 HB2 ARG 26 -20.665 20.959 0.889 1.00 2.23 ATOM 383 CG ARG 26 -20.819 19.498 2.436 1.00 15.10 ATOM 384 HG1 ARG 26 -20.160 18.808 2.946 1.00 36.04 ATOM 385 HG2 ARG 26 -21.599 18.938 1.940 1.00 22.31 ATOM 386 CD ARG 26 -21.471 20.416 3.477 1.00 44.35 ATOM 387 HD1 ARG 26 -22.254 19.866 3.979 1.00 36.04 ATOM 388 HD2 ARG 26 -21.905 21.265 2.968 1.00 71.51 ATOM 389 NE ARG 26 -20.520 20.908 4.478 1.00 31.44 ATOM 390 HE ARG 26 -19.749 21.410 4.160 1.00 50.32 ATOM 391 CZ ARG 26 -20.653 20.736 5.772 1.00 1.53 ATOM 392 NH1 ARG 26 -21.637 20.044 6.255 1.00 42.30 ATOM 393 HH11 ARG 26 -22.310 19.638 5.644 1.00 2.43 ATOM 394 HH12 ARG 26 -21.709 19.905 7.241 1.00 34.45 ATOM 395 NH2 ARG 26 -19.784 21.249 6.580 1.00 43.13 ATOM 396 HH21 ARG 26 -19.016 21.775 6.222 1.00 3.23 ATOM 397 HH22 ARG 26 -19.879 21.122 7.569 1.00 52.14 ATOM 398 C ARG 26 -17.673 21.081 0.840 1.00 31.45 ATOM 399 O ARG 26 -16.803 20.212 0.783 1.00 55.13 ATOM 400 N ARG 27 -17.704 22.122 0.004 1.00 40.23 ATOM 401 HN ARG 27 -18.465 22.739 0.040 1.00 36.04 ATOM 402 CA ARG 27 -16.626 22.365 -0.970 1.00 10.31 ATOM 403 HA ARG 27 -16.580 21.518 -1.640 1.00 74.50 ATOM 404 CB ARG 27 -16.897 23.642 -1.784 1.00 23.24 ATOM 405 HB1 ARG 27 -16.026 23.853 -2.390 1.00 36.04 ATOM 406 HB2 ARG 27 -17.043 24.462 -1.094 1.00 12.32 ATOM 407 CG ARG 27 -18.113 23.582 -2.706 1.00 52.23 ATOM 408 HG1 ARG 27 -19.001 23.426 -2.109 1.00 36.04 ATOM 409 HG2 ARG 27 -17.990 22.760 -3.399 1.00 11.13 ATOM 410 CD ARG 27 -18.260 24.885 -3.495 1.00 30.34 ATOM 411 HD1 ARG 27 -17.324 25.088 -4.003 1.00 36.04 ATOM 412 HD2 ARG 27 -18.464 25.687 -2.801 1.00 71.12 ATOM 413 NE ARG 27 -19.333 24.840 -4.487 1.00 32.22 ATOM 414 HE ARG 27 -20.025 24.156 -4.381 1.00 20.04 ATOM 415 CZ ARG 27 -19.413 25.659 -5.509 1.00 13.12 ATOM 416 NH1 ARG 27 -18.507 26.571 -5.690 1.00 31.24 ATOM 417 HH11 ARG 27 -17.751 26.653 -5.054 1.00 22.21 ATOM 418 HH12 ARG 27 -18.563 27.184 -6.479 1.00 21.23 ATOM 419 NH2 ARG 27 -20.389 25.550 -6.354 1.00 51.51 ATOM 420 HH21 ARG 27 -21.082 24.843 -6.223 1.00 61.22 ATOM 421 HH22 ARG 27 -20.443 26.163 -7.138 1.00 53.25 ATOM 422 C ARG 27 -15.271 22.518 -0.254 1.00 21.21 ATOM 423 O ARG 27 -14.277 21.882 -0.616 1.00 2.52 ATOM 424 N ALA 28 -15.254 23.376 0.766 1.00 31.51 ATOM 425 HN ALA 28 -16.091 23.822 1.019 1.00 36.04 ATOM 426 CA ALA 28 -14.036 23.684 1.520 1.00 65.20 ATOM 427 HA ALA 28 -13.322 24.112 0.829 1.00 62.22 ATOM 428 CB ALA 28 -14.336 24.729 2.590 1.00 33.53 ATOM 429 HB1 ALA 28 -13.419 25.015 3.083 1.00 25.35 ATOM 430 HB2 ALA 28 -15.021 24.314 3.317 1.00 5.52 ATOM 431 HB3 ALA 28 -14.784 25.598 2.131 1.00 30.10 ATOM 432 C ALA 28 -13.413 22.436 2.162 1.00 30.23 ATOM 433 O ALA 28 -12.231 22.151 1.967 1.00 74.43 ATOM 434 N LEU 29 -14.209 21.691 2.927 1.00 12.31 ATOM 435 HN LEU 29 -15.155 21.940 3.015 1.00 36.04 ATOM 436 CA LEU 29 -13.702 20.515 3.650 1.00 31.04 ATOM 437 HA LEU 29 -12.804 20.830 4.166 1.00 12.33 ATOM 438 CB LEU 29 -14.724 20.057 4.707 1.00 54.41 ATOM 439 HB1 LEU 29 -14.779 20.824 5.467 1.00 36.04 ATOM 440 HB2 LEU 29 -14.348 19.154 5.168 1.00 53.10 ATOM 441 CG LEU 29 -16.154 19.779 4.202 1.00 53.52 ATOM 442 HG LEU 29 -16.392 20.500 3.431 1.00 53.24 ATOM 443 CD1 LEU 29 -16.274 18.386 3.582 1.00 21.11 ATOM 444 HD11 LEU 29 -17.289 18.225 3.250 1.00 74.21 ATOM 445 HD12 LEU 29 -16.013 17.637 4.317 1.00 3.41 ATOM 446 HD13 LEU 29 -15.605 18.308 2.737 1.00 53.41 ATOM 447 CD2 LEU 29 -17.167 19.961 5.328 1.00 71.34 ATOM 448 HD21 LEU 29 -18.164 19.777 4.950 1.00 53.03 ATOM 449 HD22 LEU 29 -17.108 20.973 5.702 1.00 70.32 ATOM 450 HD23 LEU 29 -16.951 19.267 6.127 1.00 13.34 ATOM 451 C LEU 29 -13.315 19.361 2.704 1.00 22.12 ATOM 452 O LEU 29 -12.493 18.515 3.057 1.00 0.20 ATOM 453 N ALA 30 -13.904 19.328 1.508 1.00 35.41 ATOM 454 HN ALA 30 -14.591 19.995 1.293 1.00 36.04 ATOM 455 CA ALA 30 -13.558 18.306 0.509 1.00 1.42 ATOM 456 HA ALA 30 -13.469 17.356 1.021 1.00 41.21 ATOM 457 CB ALA 30 -14.672 18.183 -0.525 1.00 42.14 ATOM 458 HB1 ALA 30 -15.612 17.997 -0.023 1.00 71.43 ATOM 459 HB2 ALA 30 -14.456 17.363 -1.195 1.00 75.25 ATOM 460 HB3 ALA 30 -14.743 19.101 -1.092 1.00 44.43 ATOM 461 C ALA 30 -12.220 18.629 -0.179 1.00 10.33 ATOM 462 O ALA 30 -11.318 17.786 -0.254 1.00 40.13 ATOM 463 N MET 31 -12.085 19.866 -0.657 1.00 51.24 ATOM 464 HN MET 31 -12.843 20.488 -0.586 1.00 36.04 ATOM 465 CA MET 31 -10.840 20.323 -1.288 1.00 1.41 ATOM 466 HA MET 31 -10.421 19.484 -1.829 1.00 13.52 ATOM 467 CB MET 31 -11.126 21.454 -2.283 1.00 73.42 ATOM 468 HB1 MET 31 -10.187 21.887 -2.601 1.00 36.04 ATOM 469 HB2 MET 31 -11.714 22.216 -1.789 1.00 44.21 ATOM 470 CG MET 31 -11.884 20.993 -3.524 1.00 74.43 ATOM 471 HG1 MET 31 -12.124 21.858 -4.129 1.00 36.04 ATOM 472 HG2 MET 31 -12.799 20.510 -3.214 1.00 30.34 ATOM 473 SD MET 31 -10.933 19.833 -4.527 1.00 43.30 ATOM 474 CE MET 31 -9.534 20.856 -4.986 1.00 71.45 ATOM 475 HE1 MET 31 -9.879 21.704 -5.561 1.00 70.33 ATOM 476 HE2 MET 31 -8.842 20.276 -5.579 1.00 52.13 ATOM 477 HE3 MET 31 -9.037 21.207 -4.094 1.00 12.04 ATOM 478 C MET 31 -9.815 20.777 -0.237 1.00 22.03 ATOM 479 O MET 31 -8.718 21.222 -0.580 1.00 60.54 ATOM 480 N LYS 32 -10.193 20.672 1.040 1.00 53.31 ATOM 481 HN LYS 32 -11.126 20.444 1.236 1.00 36.04 ATOM 482 CA LYS 32 -9.276 20.907 2.162 1.00 64.43 ATOM 483 HA LYS 32 -9.838 20.740 3.070 1.00 64.22 ATOM 484 CB LYS 32 -8.128 19.886 2.110 1.00 33.21 ATOM 485 HB1 LYS 32 -7.400 20.136 2.869 1.00 36.04 ATOM 486 HB2 LYS 32 -7.657 19.939 1.138 1.00 64.22 ATOM 487 CG LYS 32 -8.592 18.447 2.347 1.00 33.52 ATOM 488 HG1 LYS 32 -9.473 18.260 1.749 1.00 36.04 ATOM 489 HG2 LYS 32 -8.840 18.330 3.393 1.00 1.02 ATOM 490 CD LYS 32 -7.518 17.428 1.979 1.00 3.44 ATOM 491 HD1 LYS 32 -7.822 16.454 2.334 1.00 36.04 ATOM 492 HD2 LYS 32 -6.591 17.710 2.457 1.00 64.01 ATOM 493 CE LYS 32 -7.292 17.357 0.471 1.00 0.32 ATOM 494 HE1 LYS 32 -6.479 16.673 0.274 1.00 36.04 ATOM 495 HE2 LYS 32 -7.026 18.340 0.112 1.00 2.14 ATOM 496 NZ LYS 32 -8.505 16.890 -0.260 1.00 1.24 ATOM 497 HZ1 LYS 32 -8.769 15.934 0.057 1.00 64.42 ATOM 498 HZ2 LYS 32 -8.317 16.859 -1.283 1.00 34.34 ATOM 499 HZ3 LYS 32 -9.305 17.531 -0.087 1.00 53.23 ATOM 500 C LYS 32 -8.748 22.355 2.193 1.00 41.34 ATOM 501 O LYS 32 -7.546 22.609 2.065 1.00 73.03 ATOM 502 N ILE 33 -9.668 23.299 2.372 1.00 73.35 ATOM 503 HN ILE 33 -10.610 23.032 2.437 1.00 36.04 ATOM 504 CA ILE 33 -9.331 24.725 2.470 1.00 70.10 ATOM 505 HA ILE 33 -8.390 24.885 1.960 1.00 54.40 ATOM 506 CB ILE 33 -10.416 25.591 1.775 1.00 42.21 ATOM 507 HB ILE 33 -11.347 25.450 2.308 1.00 44.34 ATOM 508 CG1 ILE 33 -10.606 25.143 0.314 1.00 33.24 ATOM 509 HG11 ILE 33 -11.394 25.732 -0.138 1.00 36.04 ATOM 510 HG12 ILE 33 -10.895 24.101 0.300 1.00 33.21 ATOM 511 CG2 ILE 33 -10.059 27.075 1.838 1.00 43.02 ATOM 512 HG21 ILE 33 -9.101 27.238 1.365 1.00 62.10 ATOM 513 HG22 ILE 33 -10.011 27.393 2.868 1.00 52.23 ATOM 514 HG23 ILE 33 -10.815 27.651 1.321 1.00 32.15 ATOM 515 CD1 ILE 33 -9.363 25.285 -0.546 1.00 63.00 ATOM 516 HD11 ILE 33 -9.576 24.928 -1.543 1.00 42.23 ATOM 517 HD12 ILE 33 -8.560 24.702 -0.120 1.00 73.13 ATOM 518 HD13 ILE 33 -9.071 26.324 -0.591 1.00 25.22 ATOM 519 C ILE 33 -9.193 25.151 3.949 1.00 35.02 ATOM 520 O ILE 33 -10.110 24.944 4.744 1.00 64.05 ATOM 521 N PRO 34 -8.044 25.744 4.347 1.00 12.45 ATOM 522 CA PRO 34 -7.775 26.106 5.750 1.00 23.31 ATOM 523 HA PRO 34 -8.129 25.335 6.420 1.00 30.44 ATOM 524 CB PRO 34 -6.232 26.161 5.817 1.00 15.41 ATOM 525 HB1 PRO 34 -5.877 25.396 6.496 1.00 36.04 ATOM 526 HB2 PRO 34 -5.917 27.130 6.180 1.00 35.53 ATOM 527 CG PRO 34 -5.733 25.920 4.419 1.00 64.21 ATOM 528 HG1 PRO 34 -5.336 24.917 4.346 1.00 36.04 ATOM 529 HG2 PRO 34 -4.962 26.638 4.177 1.00 72.21 ATOM 530 CD PRO 34 -6.907 26.087 3.490 1.00 63.21 ATOM 531 HD1 PRO 34 -6.829 25.404 2.656 1.00 36.04 ATOM 532 HD2 PRO 34 -6.979 27.108 3.141 1.00 42.44 ATOM 533 C PRO 34 -8.382 27.457 6.194 1.00 13.24 ATOM 534 O PRO 34 -7.993 28.002 7.230 1.00 3.31 ATOM 535 N PHE 35 -9.338 27.986 5.429 1.00 62.50 ATOM 536 HN PHE 35 -9.610 27.516 4.617 1.00 36.04 ATOM 537 CA PHE 35 -10.008 29.249 5.785 1.00 42.41 ATOM 538 HA PHE 35 -9.992 29.323 6.865 1.00 64.32 ATOM 539 CB PHE 35 -9.248 30.459 5.203 1.00 24.42 ATOM 540 HB1 PHE 35 -8.311 30.568 5.733 1.00 36.04 ATOM 541 HB2 PHE 35 -9.837 31.351 5.361 1.00 33.42 ATOM 542 CG PHE 35 -8.936 30.372 3.729 1.00 45.21 ATOM 543 CD1 PHE 35 -7.763 29.774 3.293 1.00 63.41 ATOM 544 HD1 PHE 35 -7.082 29.354 4.017 1.00 62.03 ATOM 545 CD2 PHE 35 -9.801 30.904 2.784 1.00 3.44 ATOM 546 HD2 PHE 35 -10.720 31.373 3.109 1.00 65.01 ATOM 547 CE1 PHE 35 -7.460 29.708 1.949 1.00 23.02 ATOM 548 HE1 PHE 35 -6.542 29.238 1.625 1.00 45.13 ATOM 549 CE2 PHE 35 -9.500 30.838 1.436 1.00 63.05 ATOM 550 HE2 PHE 35 -10.182 31.257 0.709 1.00 70.25 ATOM 551 CZ PHE 35 -8.329 30.240 1.018 1.00 52.20 ATOM 552 HZ PHE 35 -8.092 30.191 -0.034 1.00 50.40 ATOM 553 C PHE 35 -11.483 29.254 5.335 1.00 4.34 ATOM 554 O PHE 35 -11.833 28.640 4.327 1.00 40.42 ATOM 555 N PRO 36 -12.367 29.948 6.091 1.00 44.31 ATOM 556 CA PRO 36 -13.829 29.928 5.850 1.00 2.42 ATOM 557 HA PRO 36 -14.214 28.918 5.919 1.00 12.30 ATOM 558 CB PRO 36 -14.391 30.759 7.016 1.00 23.35 ATOM 559 HB1 PRO 36 -14.713 30.098 7.811 1.00 36.04 ATOM 560 HB2 PRO 36 -15.232 31.349 6.676 1.00 72.22 ATOM 561 CG PRO 36 -13.259 31.623 7.455 1.00 13.04 ATOM 562 HG1 PRO 36 -13.372 31.877 8.501 1.00 36.04 ATOM 563 HG2 PRO 36 -13.223 32.522 6.852 1.00 23.40 ATOM 564 CD PRO 36 -12.016 30.803 7.246 1.00 74.55 ATOM 565 HD1 PRO 36 -11.805 30.202 8.119 1.00 36.04 ATOM 566 HD2 PRO 36 -11.175 31.442 7.014 1.00 75.35 ATOM 567 C PRO 36 -14.260 30.535 4.497 1.00 14.11 ATOM 568 O PRO 36 -13.674 31.508 4.013 1.00 3.44 ATOM 569 N THR 37 -15.317 29.959 3.913 1.00 11.32 ATOM 570 HN THR 37 -15.753 29.209 4.373 1.00 36.04 ATOM 571 CA THR 37 -15.842 30.391 2.606 1.00 31.05 ATOM 572 HA THR 37 -15.027 30.354 1.897 1.00 3.14 ATOM 573 CB THR 37 -16.956 29.441 2.102 1.00 3.35 ATOM 574 HB THR 37 -17.271 29.770 1.121 1.00 3.25 ATOM 575 OG1 THR 37 -18.090 29.479 2.989 1.00 31.01 ATOM 576 HG1 THR 37 -18.020 28.761 3.636 1.00 22.22 ATOM 577 CG2 THR 37 -16.440 28.009 1.989 1.00 30.12 ATOM 578 HG21 THR 37 -17.235 27.365 1.641 1.00 11.21 ATOM 579 HG22 THR 37 -16.103 27.667 2.958 1.00 10.23 ATOM 580 HG23 THR 37 -15.617 27.974 1.290 1.00 71.15 ATOM 581 C THR 37 -16.394 31.823 2.639 1.00 43.53 ATOM 582 O THR 37 -16.218 32.585 1.688 1.00 4.54 ATOM 583 N ASP 38 -17.064 32.184 3.731 1.00 72.43 ATOM 584 HN ASP 38 -17.207 31.523 4.441 1.00 36.04 ATOM 585 CA ASP 38 -17.599 33.541 3.897 1.00 74.44 ATOM 586 HA ASP 38 -18.307 33.711 3.097 1.00 15.54 ATOM 587 CB ASP 38 -18.333 33.654 5.238 1.00 74.05 ATOM 588 HB1 ASP 38 -19.251 33.088 5.189 1.00 36.04 ATOM 589 HB2 ASP 38 -18.567 34.693 5.428 1.00 64.24 ATOM 590 CG ASP 38 -17.501 33.126 6.391 1.00 75.20 ATOM 591 OD1 ASP 38 -16.744 33.910 6.998 1.00 31.52 ATOM 592 OD2 ASP 38 -17.592 31.916 6.682 1.00 74.45 ATOM 593 C ASP 38 -16.487 34.601 3.797 1.00 65.14 ATOM 594 O ASP 38 -16.642 35.622 3.124 1.00 35.42 ATOM 595 N LYS 39 -15.360 34.339 4.461 1.00 71.42 ATOM 596 HN LYS 39 -15.315 33.530 5.015 1.00 36.04 ATOM 597 CA LYS 39 -14.193 35.224 4.401 1.00 12.23 ATOM 598 HA LYS 39 -14.480 36.174 4.829 1.00 33.45 ATOM 599 CB LYS 39 -13.040 34.632 5.232 1.00 21.24 ATOM 600 HB1 LYS 39 -12.843 33.627 4.883 1.00 36.04 ATOM 601 HB2 LYS 39 -13.347 34.587 6.268 1.00 22.13 ATOM 602 CG LYS 39 -11.744 35.433 5.151 1.00 64.32 ATOM 603 HG1 LYS 39 -11.951 36.459 5.425 1.00 36.04 ATOM 604 HG2 LYS 39 -11.379 35.404 4.132 1.00 54.42 ATOM 605 CD LYS 39 -10.656 34.884 6.072 1.00 20.10 ATOM 606 HD1 LYS 39 -9.728 35.398 5.860 1.00 36.04 ATOM 607 HD2 LYS 39 -10.532 33.828 5.879 1.00 53.43 ATOM 608 CE LYS 39 -11.002 35.078 7.545 1.00 42.24 ATOM 609 HE1 LYS 39 -11.849 34.454 7.789 1.00 36.04 ATOM 610 HE2 LYS 39 -11.258 36.113 7.710 1.00 62.41 ATOM 611 NZ LYS 39 -9.867 34.718 8.433 1.00 32.44 ATOM 612 HZ1 LYS 39 -9.032 35.288 8.193 1.00 73.33 ATOM 613 HZ2 LYS 39 -9.629 33.712 8.326 1.00 53.44 ATOM 614 HZ3 LYS 39 -10.118 34.896 9.428 1.00 63.40 ATOM 615 C LYS 39 -13.748 35.453 2.945 1.00 73.22 ATOM 616 O LYS 39 -13.421 36.573 2.549 1.00 64.12 ATOM 617 N ILE 40 -13.767 34.383 2.153 1.00 25.53 ATOM 618 HN ILE 40 -14.023 33.517 2.538 1.00 36.04 ATOM 619 CA ILE 40 -13.415 34.451 0.727 1.00 31.34 ATOM 620 HA ILE 40 -12.381 34.758 0.653 1.00 24.34 ATOM 621 CB ILE 40 -13.566 33.060 0.058 1.00 42.54 ATOM 622 HB ILE 40 -14.608 32.779 0.107 1.00 43.44 ATOM 623 CG1 ILE 40 -12.735 32.006 0.806 1.00 73.10 ATOM 624 HG11 ILE 40 -13.054 31.969 1.839 1.00 36.04 ATOM 625 HG12 ILE 40 -11.692 32.284 0.770 1.00 33.44 ATOM 626 CG2 ILE 40 -13.166 33.113 -1.414 1.00 61.33 ATOM 627 HG21 ILE 40 -13.759 33.858 -1.926 1.00 72.40 ATOM 628 HG22 ILE 40 -13.336 32.148 -1.871 1.00 10.23 ATOM 629 HG23 ILE 40 -12.121 33.369 -1.495 1.00 61.51 ATOM 630 CD1 ILE 40 -12.861 30.606 0.231 1.00 23.21 ATOM 631 HD11 ILE 40 -13.893 30.291 0.273 1.00 25.22 ATOM 632 HD12 ILE 40 -12.253 29.924 0.808 1.00 13.05 ATOM 633 HD13 ILE 40 -12.526 30.606 -0.795 1.00 33.33 ATOM 634 C ILE 40 -14.299 35.462 -0.032 1.00 41.32 ATOM 635 O ILE 40 -13.848 36.143 -0.953 1.00 4.31 ATOM 636 N VAL 41 -15.564 35.551 0.366 1.00 62.35 ATOM 637 HN VAL 41 -15.855 35.010 1.130 1.00 36.04 ATOM 638 CA VAL 41 -16.537 36.427 -0.296 1.00 0.11 ATOM 639 HA VAL 41 -16.351 36.397 -1.361 1.00 11.45 ATOM 640 CB VAL 41 -17.979 35.927 -0.041 1.00 64.34 ATOM 641 HB VAL 41 -18.166 35.985 1.023 1.00 70.15 ATOM 642 CG1 VAL 41 -19.005 36.818 -0.741 1.00 41.10 ATOM 643 HG11 VAL 41 -18.775 36.878 -1.798 1.00 24.11 ATOM 644 HG12 VAL 41 -18.976 37.808 -0.309 1.00 51.40 ATOM 645 HG13 VAL 41 -19.993 36.401 -0.612 1.00 3.24 ATOM 646 CG2 VAL 41 -18.127 34.466 -0.461 1.00 53.03 ATOM 647 HG21 VAL 41 -17.896 34.365 -1.512 1.00 30.22 ATOM 648 HG22 VAL 41 -19.141 34.139 -0.283 1.00 32.14 ATOM 649 HG23 VAL 41 -17.447 33.855 0.117 1.00 61.31 ATOM 650 C VAL 41 -16.439 37.880 0.193 1.00 41.01 ATOM 651 O VAL 41 -16.446 38.825 -0.603 1.00 34.14 ATOM 652 N ASN 42 -16.343 38.042 1.505 1.00 43.31 ATOM 653 HN ASN 42 -16.200 37.250 2.069 1.00 36.04 ATOM 654 CA ASN 42 -16.454 39.356 2.148 1.00 62.25 ATOM 655 HA ASN 42 -17.240 39.899 1.640 1.00 11.34 ATOM 656 CB ASN 42 -16.873 39.154 3.604 1.00 31.30 ATOM 657 HB1 ASN 42 -16.911 40.115 4.100 1.00 36.04 ATOM 658 HB2 ASN 42 -16.149 38.522 4.100 1.00 40.13 ATOM 659 CG ASN 42 -18.249 38.505 3.704 1.00 33.51 ATOM 660 OD1 ASN 42 -19.157 38.830 2.944 1.00 14.15 ATOM 661 ND2 ASN 42 -18.396 37.541 4.590 1.00 61.32 ATOM 662 HD21 ASN 42 -17.622 37.284 5.131 1.00 32.10 ATOM 663 HD22 ASN 42 -19.275 37.123 4.670 1.00 21.03 ATOM 664 C ASN 42 -15.160 40.191 2.058 1.00 64.34 ATOM 665 O ASN 42 -15.214 41.423 2.107 1.00 65.12 ATOM 666 N LEU 43 -14.006 39.531 1.929 1.00 74.24 ATOM 667 HN LEU 43 -14.013 38.551 1.924 1.00 36.04 ATOM 668 CA LEU 43 -12.725 40.245 1.800 1.00 43.23 ATOM 669 HA LEU 43 -12.701 41.006 2.567 1.00 75.34 ATOM 670 CB LEU 43 -11.541 39.290 2.017 1.00 44.21 ATOM 671 HB1 LEU 43 -10.639 39.793 1.697 1.00 36.04 ATOM 672 HB2 LEU 43 -11.688 38.424 1.385 1.00 3.21 ATOM 673 CG LEU 43 -11.330 38.803 3.458 1.00 20.00 ATOM 674 HG LEU 43 -12.188 38.220 3.760 1.00 23.33 ATOM 675 CD1 LEU 43 -10.104 37.899 3.540 1.00 1.04 ATOM 676 HD11 LEU 43 -9.956 37.584 4.563 1.00 55.43 ATOM 677 HD12 LEU 43 -9.230 38.438 3.200 1.00 2.11 ATOM 678 HD13 LEU 43 -10.254 37.030 2.917 1.00 72.35 ATOM 679 CD2 LEU 43 -11.201 39.984 4.421 1.00 62.31 ATOM 680 HD21 LEU 43 -11.001 39.618 5.418 1.00 51.35 ATOM 681 HD22 LEU 43 -12.125 40.545 4.425 1.00 33.51 ATOM 682 HD23 LEU 43 -10.392 40.626 4.104 1.00 1.51 ATOM 683 C LEU 43 -12.581 40.928 0.426 1.00 24.42 ATOM 684 O LEU 43 -13.067 40.419 -0.587 1.00 51.32 ATOM 685 N PRO 44 -11.918 42.101 0.377 1.00 44.32 ATOM 686 CA PRO 44 -11.625 42.800 -0.888 1.00 12.53 ATOM 687 HA PRO 44 -12.505 42.882 -1.509 1.00 45.11 ATOM 688 CB PRO 44 -11.189 44.193 -0.419 1.00 4.52 ATOM 689 HB1 PRO 44 -12.049 44.847 -0.368 1.00 36.04 ATOM 690 HB2 PRO 44 -10.461 44.603 -1.106 1.00 53.42 ATOM 691 CG PRO 44 -10.602 43.963 0.933 1.00 42.30 ATOM 692 HG1 PRO 44 -10.685 44.860 1.531 1.00 36.04 ATOM 693 HG2 PRO 44 -9.565 43.669 0.838 1.00 12.24 ATOM 694 CD PRO 44 -11.409 42.847 1.549 1.00 54.01 ATOM 695 HD1 PRO 44 -12.226 43.248 2.132 1.00 36.04 ATOM 696 HD2 PRO 44 -10.781 42.218 2.163 1.00 44.15 ATOM 697 C PRO 44 -10.500 42.116 -1.686 1.00 0.33 ATOM 698 O PRO 44 -9.788 41.263 -1.156 1.00 73.13 ATOM 699 N VAL 45 -10.332 42.504 -2.954 1.00 33.32 ATOM 700 HN VAL 45 -10.892 43.225 -3.311 1.00 36.04 ATOM 701 CA VAL 45 -9.331 41.874 -3.832 1.00 34.41 ATOM 702 HA VAL 45 -9.616 40.837 -3.947 1.00 3.22 ATOM 703 CB VAL 45 -9.325 42.524 -5.244 1.00 4.54 ATOM 704 HB VAL 45 -10.330 42.465 -5.642 1.00 14.11 ATOM 705 CG1 VAL 45 -8.939 44.000 -5.170 1.00 71.42 ATOM 706 HG11 VAL 45 -8.972 44.433 -6.159 1.00 72.13 ATOM 707 HG12 VAL 45 -7.940 44.092 -4.770 1.00 45.51 ATOM 708 HG13 VAL 45 -9.632 44.523 -4.525 1.00 35.35 ATOM 709 CG2 VAL 45 -8.399 41.761 -6.191 1.00 64.34 ATOM 710 HG21 VAL 45 -8.424 42.219 -7.170 1.00 4.40 ATOM 711 HG22 VAL 45 -8.725 40.734 -6.267 1.00 1.22 ATOM 712 HG23 VAL 45 -7.389 41.790 -5.808 1.00 71.21 ATOM 713 C VAL 45 -7.911 41.921 -3.225 1.00 24.31 ATOM 714 O VAL 45 -7.164 40.946 -3.307 1.00 14.34 ATOM 715 N ASP 46 -7.558 43.047 -2.599 1.00 41.34 ATOM 716 HN ASP 46 -8.192 43.796 -2.579 1.00 36.04 ATOM 717 CA ASP 46 -6.246 43.213 -1.959 1.00 62.51 ATOM 718 HA ASP 46 -5.490 43.166 -2.732 1.00 54.52 ATOM 719 CB ASP 46 -6.174 44.583 -1.274 1.00 32.03 ATOM 720 HB1 ASP 46 -5.193 44.707 -0.832 1.00 36.04 ATOM 721 HB2 ASP 46 -6.921 44.631 -0.493 1.00 44.53 ATOM 722 CG ASP 46 -6.417 45.724 -2.242 1.00 52.52 ATOM 723 OD1 ASP 46 -7.590 45.964 -2.600 1.00 3.03 ATOM 724 OD2 ASP 46 -5.438 46.383 -2.657 1.00 70.41 ATOM 725 C ASP 46 -5.976 42.104 -0.928 1.00 22.10 ATOM 726 O ASP 46 -5.037 41.317 -1.070 1.00 51.32 ATOM 727 N ASP 47 -6.818 42.049 0.103 1.00 24.53 ATOM 728 HN ASP 47 -7.553 42.692 0.149 1.00 36.04 ATOM 729 CA ASP 47 -6.674 41.061 1.173 1.00 11.55 ATOM 730 HA ASP 47 -5.680 41.164 1.584 1.00 11.40 ATOM 731 CB ASP 47 -7.708 41.342 2.277 1.00 53.00 ATOM 732 HB1 ASP 47 -8.662 40.921 1.986 1.00 36.04 ATOM 733 HB2 ASP 47 -7.818 42.410 2.394 1.00 22.13 ATOM 734 CG ASP 47 -7.311 40.749 3.619 1.00 51.33 ATOM 735 OD1 ASP 47 -6.908 41.515 4.519 1.00 61.03 ATOM 736 OD2 ASP 47 -7.384 39.517 3.779 1.00 4.31 ATOM 737 C ASP 47 -6.840 39.630 0.622 1.00 61.10 ATOM 738 O ASP 47 -6.147 38.704 1.048 1.00 12.43 ATOM 739 N PHE 48 -7.748 39.472 -0.345 1.00 1.44 ATOM 740 HN PHE 48 -8.262 40.255 -0.638 1.00 36.04 ATOM 741 CA PHE 48 -8.009 38.178 -0.989 1.00 32.51 ATOM 742 HA PHE 48 -8.370 37.500 -0.227 1.00 64.33 ATOM 743 CB PHE 48 -9.105 38.347 -2.055 1.00 1.05 ATOM 744 HB1 PHE 48 -8.805 39.125 -2.744 1.00 36.04 ATOM 745 HB2 PHE 48 -10.024 38.648 -1.570 1.00 45.34 ATOM 746 CG PHE 48 -9.396 37.101 -2.856 1.00 60.34 ATOM 747 CD1 PHE 48 -8.976 36.992 -4.177 1.00 62.41 ATOM 748 HD1 PHE 48 -8.431 37.809 -4.629 1.00 4.02 ATOM 749 CD2 PHE 48 -10.091 36.042 -2.292 1.00 10.44 ATOM 750 HD2 PHE 48 -10.423 36.111 -1.265 1.00 55.45 ATOM 751 CE1 PHE 48 -9.244 35.855 -4.913 1.00 40.13 ATOM 752 HE1 PHE 48 -8.912 35.785 -5.940 1.00 13.40 ATOM 753 CE2 PHE 48 -10.360 34.902 -3.027 1.00 5.54 ATOM 754 HE2 PHE 48 -10.902 34.084 -2.576 1.00 22.10 ATOM 755 CZ PHE 48 -9.937 34.809 -4.338 1.00 70.44 ATOM 756 HZ PHE 48 -10.150 33.921 -4.912 1.00 2.04 ATOM 757 C PHE 48 -6.735 37.581 -1.618 1.00 73.35 ATOM 758 O PHE 48 -6.404 36.418 -1.385 1.00 54.24 ATOM 759 N ASN 49 -6.022 38.385 -2.411 1.00 24.14 ATOM 760 HN ASN 49 -6.339 39.301 -2.572 1.00 36.04 ATOM 761 CA ASN 49 -4.779 37.935 -3.053 1.00 43.32 ATOM 762 HA ASN 49 -5.029 37.125 -3.723 1.00 62.31 ATOM 763 CB ASN 49 -4.157 39.077 -3.866 1.00 72.20 ATOM 764 HB1 ASN 49 -3.200 38.754 -4.255 1.00 36.04 ATOM 765 HB2 ASN 49 -4.007 39.929 -3.220 1.00 64.13 ATOM 766 CG ASN 49 -5.026 39.511 -5.033 1.00 64.04 ATOM 767 OD1 ASN 49 -5.765 38.718 -5.610 1.00 31.33 ATOM 768 ND2 ASN 49 -4.944 40.776 -5.391 1.00 75.04 ATOM 769 HD21 ASN 49 -4.333 41.360 -4.894 1.00 24.52 ATOM 770 HD22 ASN 49 -5.499 41.082 -6.138 1.00 45.14 ATOM 771 C ASN 49 -3.767 37.422 -2.018 1.00 34.12 ATOM 772 O ASN 49 -3.202 36.336 -2.165 1.00 21.12 ATOM 773 N GLU 50 -3.548 38.209 -0.965 1.00 60.33 ATOM 774 HN GLU 50 -4.007 39.077 -0.912 1.00 36.04 ATOM 775 CA GLU 50 -2.640 37.810 0.116 1.00 34.23 ATOM 776 HA GLU 50 -1.684 37.581 -0.331 1.00 22.52 ATOM 777 CB GLU 50 -2.456 38.956 1.115 1.00 32.30 ATOM 778 HB1 GLU 50 -1.843 38.610 1.935 1.00 36.04 ATOM 779 HB2 GLU 50 -3.425 39.241 1.502 1.00 1.11 ATOM 780 CG GLU 50 -1.797 40.193 0.517 1.00 21.04 ATOM 781 HG1 GLU 50 -2.443 40.591 -0.254 1.00 36.04 ATOM 782 HG2 GLU 50 -0.853 39.905 0.077 1.00 63.04 ATOM 783 CD GLU 50 -1.541 41.277 1.550 1.00 2.34 ATOM 784 OE1 GLU 50 -0.623 41.103 2.381 1.00 62.15 ATOM 785 OE2 GLU 50 -2.240 42.308 1.534 1.00 23.32 ATOM 786 C GLU 50 -3.152 36.556 0.843 1.00 30.11 ATOM 787 O GLU 50 -2.370 35.675 1.196 1.00 33.53 ATOM 788 N LEU 51 -4.469 36.477 1.044 1.00 13.32 ATOM 789 HN LEU 51 -5.039 37.211 0.733 1.00 36.04 ATOM 790 CA LEU 51 -5.099 35.321 1.702 1.00 34.34 ATOM 791 HA LEU 51 -4.743 35.283 2.723 1.00 71.01 ATOM 792 CB LEU 51 -6.628 35.495 1.708 1.00 20.21 ATOM 793 HB1 LEU 51 -6.956 35.598 0.683 1.00 36.04 ATOM 794 HB2 LEU 51 -6.861 36.414 2.230 1.00 61.30 ATOM 795 CG LEU 51 -7.435 34.355 2.357 1.00 53.10 ATOM 796 HG LEU 51 -7.158 33.420 1.889 1.00 62.51 ATOM 797 CD1 LEU 51 -7.121 34.239 3.849 1.00 20.23 ATOM 798 HD11 LEU 51 -7.703 33.437 4.281 1.00 45.32 ATOM 799 HD12 LEU 51 -7.364 35.166 4.347 1.00 24.53 ATOM 800 HD13 LEU 51 -6.070 34.027 3.980 1.00 62.12 ATOM 801 CD2 LEU 51 -8.934 34.561 2.131 1.00 63.42 ATOM 802 HD21 LEU 51 -9.482 33.733 2.558 1.00 22.23 ATOM 803 HD22 LEU 51 -9.134 34.615 1.071 1.00 43.42 ATOM 804 HD23 LEU 51 -9.248 35.482 2.603 1.00 54.30 ATOM 805 C LEU 51 -4.714 34.014 0.991 1.00 10.05 ATOM 806 O LEU 51 -4.399 33.011 1.630 1.00 52.51 ATOM 807 N LEU 52 -4.731 34.042 -0.339 1.00 74.23 ATOM 808 HN LEU 52 -5.038 34.857 -0.793 1.00 36.04 ATOM 809 CA LEU 52 -4.312 32.890 -1.143 1.00 63.55 ATOM 810 HA LEU 52 -4.898 32.035 -0.837 1.00 73.43 ATOM 811 CB LEU 52 -4.570 33.171 -2.630 1.00 31.33 ATOM 812 HB1 LEU 52 -4.314 32.283 -3.191 1.00 36.04 ATOM 813 HB2 LEU 52 -3.909 33.971 -2.940 1.00 30.11 ATOM 814 CG LEU 52 -6.011 33.571 -2.989 1.00 64.24 ATOM 815 HG LEU 52 -6.242 34.511 -2.506 1.00 21.43 ATOM 816 CD1 LEU 52 -6.155 33.776 -4.496 1.00 63.35 ATOM 817 HD11 LEU 52 -7.174 34.048 -4.727 1.00 73.23 ATOM 818 HD12 LEU 52 -5.902 32.861 -5.013 1.00 50.33 ATOM 819 HD13 LEU 52 -5.493 34.566 -4.817 1.00 41.10 ATOM 820 CD2 LEU 52 -7.003 32.530 -2.481 1.00 51.34 ATOM 821 HD21 LEU 52 -6.787 31.571 -2.932 1.00 72.34 ATOM 822 HD22 LEU 52 -8.006 32.830 -2.741 1.00 24.42 ATOM 823 HD23 LEU 52 -6.922 32.448 -1.405 1.00 74.35 ATOM 824 C LEU 52 -2.822 32.576 -0.930 1.00 30.04 ATOM 825 O LEU 52 -2.446 31.461 -0.569 1.00 61.41 ATOM 826 N ALA 53 -1.985 33.588 -1.142 1.00 54.02 ATOM 827 HN ALA 53 -2.358 34.457 -1.394 1.00 36.04 ATOM 828 CA ALA 53 -0.528 33.446 -1.032 1.00 14.24 ATOM 829 HA ALA 53 -0.218 32.687 -1.739 1.00 34.11 ATOM 830 CB ALA 53 0.148 34.753 -1.436 1.00 53.41 ATOM 831 HB1 ALA 53 -0.165 35.032 -2.432 1.00 33.20 ATOM 832 HB2 ALA 53 1.222 34.628 -1.420 1.00 64.10 ATOM 833 HB3 ALA 53 -0.132 35.533 -0.742 1.00 34.35 ATOM 834 C ALA 53 -0.064 33.024 0.377 1.00 43.34 ATOM 835 O ALA 53 0.998 32.417 0.526 1.00 54.12 ATOM 836 N ARG 54 -0.842 33.358 1.407 1.00 2.24 ATOM 837 HN ARG 54 -1.679 33.843 1.234 1.00 36.04 ATOM 838 CA ARG 54 -0.478 33.023 2.794 1.00 45.51 ATOM 839 HA ARG 54 0.580 33.217 2.907 1.00 43.25 ATOM 840 CB ARG 54 -1.249 33.917 3.780 1.00 15.44 ATOM 841 HB1 ARG 54 -1.106 33.540 4.783 1.00 36.04 ATOM 842 HB2 ARG 54 -2.302 33.870 3.539 1.00 62.40 ATOM 843 CG ARG 54 -0.821 35.384 3.756 1.00 25.31 ATOM 844 HG1 ARG 54 -0.972 35.777 2.759 1.00 36.04 ATOM 845 HG2 ARG 54 0.228 35.447 4.011 1.00 12.42 ATOM 846 CD ARG 54 -1.620 36.226 4.748 1.00 14.40 ATOM 847 HD1 ARG 54 -2.666 36.173 4.482 1.00 36.04 ATOM 848 HD2 ARG 54 -1.286 37.251 4.681 1.00 34.41 ATOM 849 NE ARG 54 -1.456 35.767 6.129 1.00 24.44 ATOM 850 HE ARG 54 -0.774 35.086 6.300 1.00 51.35 ATOM 851 CZ ARG 54 -2.155 36.210 7.143 1.00 73.42 ATOM 852 NH1 ARG 54 -3.048 37.134 6.976 1.00 64.44 ATOM 853 HH11 ARG 54 -3.205 37.520 6.070 1.00 11.24 ATOM 854 HH12 ARG 54 -3.583 37.458 7.756 1.00 43.01 ATOM 855 NH2 ARG 54 -1.942 35.741 8.329 1.00 50.33 ATOM 856 HH21 ARG 54 -1.242 35.043 8.472 1.00 50.32 ATOM 857 HH22 ARG 54 -2.476 36.077 9.105 1.00 2.21 ATOM 858 C ARG 54 -0.735 31.542 3.122 1.00 74.13 ATOM 859 O ARG 54 -0.031 30.946 3.943 1.00 12.54 ATOM 860 N TYR 55 -1.742 30.950 2.484 1.00 54.35 ATOM 861 HN TYR 55 -2.234 31.454 1.799 1.00 36.04 ATOM 862 CA TYR 55 -2.129 29.559 2.766 1.00 73.03 ATOM 863 HA TYR 55 -1.695 29.292 3.720 1.00 40.13 ATOM 864 CB TYR 55 -3.656 29.446 2.879 1.00 63.12 ATOM 865 HB1 TYR 55 -3.933 28.401 2.912 1.00 36.04 ATOM 866 HB2 TYR 55 -4.111 29.904 2.010 1.00 31.11 ATOM 867 CG TYR 55 -4.222 30.122 4.119 1.00 11.11 ATOM 868 CD1 TYR 55 -4.722 29.370 5.176 1.00 22.41 ATOM 869 HD1 TYR 55 -4.713 28.292 5.104 1.00 62.22 ATOM 870 CD2 TYR 55 -4.247 31.509 4.237 1.00 11.34 ATOM 871 HD2 TYR 55 -3.864 32.113 3.427 1.00 0.51 ATOM 872 CE1 TYR 55 -5.232 29.977 6.308 1.00 35.35 ATOM 873 HE1 TYR 55 -5.615 29.370 7.117 1.00 61.54 ATOM 874 CE2 TYR 55 -4.755 32.123 5.367 1.00 44.55 ATOM 875 HE2 TYR 55 -4.765 33.200 5.436 1.00 52.22 ATOM 876 CZ TYR 55 -5.246 31.356 6.399 1.00 24.13 ATOM 877 OH TYR 55 -5.756 31.969 7.525 1.00 42.11 ATOM 878 HH TYR 55 -5.437 31.508 8.313 1.00 2.33 ATOM 879 C TYR 55 -1.596 28.583 1.701 1.00 3.12 ATOM 880 O TYR 55 -1.634 28.871 0.501 1.00 31.34 ATOM 881 N PRO 56 -1.085 27.410 2.129 1.00 41.44 ATOM 882 CA PRO 56 -0.560 26.391 1.203 1.00 31.23 ATOM 883 HA PRO 56 0.200 26.810 0.555 1.00 34.00 ATOM 884 CB PRO 56 0.079 25.354 2.138 1.00 25.32 ATOM 885 HB1 PRO 56 1.135 25.559 2.240 1.00 36.04 ATOM 886 HB2 PRO 56 -0.059 24.360 1.734 1.00 23.30 ATOM 887 CG PRO 56 -0.635 25.523 3.439 1.00 10.31 ATOM 888 HG1 PRO 56 0.010 25.227 4.254 1.00 36.04 ATOM 889 HG2 PRO 56 -1.540 24.931 3.442 1.00 11.21 ATOM 890 CD PRO 56 -0.971 26.986 3.542 1.00 61.53 ATOM 891 HD1 PRO 56 -0.178 27.524 4.044 1.00 36.04 ATOM 892 HD2 PRO 56 -1.909 27.122 4.064 1.00 54.21 ATOM 893 C PRO 56 -1.659 25.751 0.334 1.00 42.11 ATOM 894 O PRO 56 -2.196 24.687 0.661 1.00 5.55 ATOM 895 N LEU 57 -1.997 26.420 -0.766 1.00 41.41 ATOM 896 HN LEU 57 -1.535 27.260 -0.967 1.00 36.04 ATOM 897 CA LEU 57 -3.048 25.952 -1.678 1.00 44.40 ATOM 898 HA LEU 57 -3.546 25.114 -1.213 1.00 25.33 ATOM 899 CB LEU 57 -4.073 27.069 -1.915 1.00 62.30 ATOM 900 HB1 LEU 57 -4.819 26.702 -2.607 1.00 36.04 ATOM 901 HB2 LEU 57 -3.561 27.904 -2.377 1.00 51.44 ATOM 902 CG LEU 57 -4.794 27.588 -0.662 1.00 14.31 ATOM 903 HG LEU 57 -4.059 27.973 0.032 1.00 5.21 ATOM 904 CD1 LEU 57 -5.733 28.738 -1.022 1.00 21.31 ATOM 905 HD11 LEU 57 -6.430 28.415 -1.784 1.00 14.24 ATOM 906 HD12 LEU 57 -5.156 29.573 -1.393 1.00 74.13 ATOM 907 HD13 LEU 57 -6.278 29.045 -0.143 1.00 24.41 ATOM 908 CD2 LEU 57 -5.556 26.462 0.036 1.00 34.13 ATOM 909 HD21 LEU 57 -6.058 26.851 0.911 1.00 61.35 ATOM 910 HD22 LEU 57 -4.861 25.692 0.337 1.00 34.35 ATOM 911 HD23 LEU 57 -6.287 26.042 -0.643 1.00 31.04 ATOM 912 C LEU 57 -2.473 25.502 -3.026 1.00 5.12 ATOM 913 O LEU 57 -1.523 26.100 -3.542 1.00 71.03 ATOM 914 N THR 58 -3.056 24.449 -3.590 1.00 51.23 ATOM 915 HN THR 58 -3.740 23.959 -3.084 1.00 36.04 ATOM 916 CA THR 58 -2.701 23.989 -4.939 1.00 4.15 ATOM 917 HA THR 58 -1.629 24.086 -5.061 1.00 34.52 ATOM 918 CB THR 58 -3.091 22.509 -5.167 1.00 31.22 ATOM 919 HB THR 58 -2.705 22.196 -6.128 1.00 71.05 ATOM 920 OG1 THR 58 -4.524 22.386 -5.178 1.00 70.24 ATOM 921 HG1 THR 58 -4.774 21.482 -5.417 1.00 34.44 ATOM 922 CG2 THR 58 -2.497 21.608 -4.085 1.00 42.50 ATOM 923 HG21 THR 58 -2.883 21.898 -3.117 1.00 62.44 ATOM 924 HG22 THR 58 -1.421 21.707 -4.083 1.00 4.40 ATOM 925 HG23 THR 58 -2.762 20.580 -4.283 1.00 34.31 ATOM 926 C THR 58 -3.410 24.833 -6.006 1.00 25.30 ATOM 927 O THR 58 -4.273 25.656 -5.692 1.00 1.12 ATOM 928 N GLU 59 -3.060 24.611 -7.270 1.00 14.54 ATOM 929 HN GLU 59 -2.370 23.942 -7.463 1.00 36.04 ATOM 930 CA GLU 59 -3.686 25.333 -8.384 1.00 44.30 ATOM 931 HA GLU 59 -3.598 26.393 -8.180 1.00 34.00 ATOM 932 CB GLU 59 -2.950 25.017 -9.692 1.00 13.13 ATOM 933 HB1 GLU 59 -3.410 25.576 -10.495 1.00 36.04 ATOM 934 HB2 GLU 59 -3.046 23.959 -9.901 1.00 33.12 ATOM 935 CG GLU 59 -1.466 25.365 -9.650 1.00 21.00 ATOM 936 HG1 GLU 59 -1.013 24.844 -8.817 1.00 36.04 ATOM 937 HG2 GLU 59 -1.364 26.431 -9.497 1.00 22.33 ATOM 938 CD GLU 59 -0.726 24.984 -10.921 1.00 3.11 ATOM 939 OE1 GLU 59 -0.383 23.795 -11.080 1.00 71.14 ATOM 940 OE2 GLU 59 -0.472 25.872 -11.757 1.00 23.24 ATOM 941 C GLU 59 -5.177 24.977 -8.500 1.00 4.11 ATOM 942 O GLU 59 -5.998 25.807 -8.905 1.00 23.22 ATOM 943 N SER 60 -5.516 23.743 -8.123 1.00 53.11 ATOM 944 HN SER 60 -4.812 23.123 -7.843 1.00 36.04 ATOM 945 CA SER 60 -6.912 23.285 -8.104 1.00 35.33 ATOM 946 HA SER 60 -7.375 23.598 -9.032 1.00 54.12 ATOM 947 CB SER 60 -6.969 21.754 -8.015 1.00 15.21 ATOM 948 HB1 SER 60 -6.535 21.328 -8.909 1.00 36.04 ATOM 949 HB2 SER 60 -7.998 21.436 -7.931 1.00 0.32 ATOM 950 OG SER 60 -6.251 21.279 -6.888 1.00 42.42 ATOM 951 HG SER 60 -6.503 20.363 -6.710 1.00 43.43 ATOM 952 C SER 60 -7.689 23.910 -6.933 1.00 63.21 ATOM 953 O SER 60 -8.837 24.328 -7.092 1.00 21.40 ATOM 954 N GLN 61 -7.062 23.970 -5.755 1.00 10.41 ATOM 955 HN GLN 61 -6.176 23.552 -5.662 1.00 36.04 ATOM 956 CA GLN 61 -7.674 24.630 -4.590 1.00 52.04 ATOM 957 HA GLN 61 -8.626 24.149 -4.406 1.00 15.24 ATOM 958 CB GLN 61 -6.791 24.475 -3.342 1.00 33.44 ATOM 959 HB1 GLN 61 -7.248 25.014 -2.522 1.00 36.04 ATOM 960 HB2 GLN 61 -5.822 24.908 -3.548 1.00 20.34 ATOM 961 CG GLN 61 -6.586 23.028 -2.906 1.00 3.52 ATOM 962 HG1 GLN 61 -6.067 22.500 -3.694 1.00 36.04 ATOM 963 HG2 GLN 61 -7.553 22.571 -2.747 1.00 21.02 ATOM 964 CD GLN 61 -5.774 22.909 -1.626 1.00 31.42 ATOM 965 OE1 GLN 61 -4.553 22.848 -1.658 1.00 71.05 ATOM 966 NE2 GLN 61 -6.445 22.858 -0.491 1.00 1.53 ATOM 967 HE21 GLN 61 -7.423 22.894 -0.525 1.00 35.44 ATOM 968 HE22 GLN 61 -5.934 22.788 0.340 1.00 32.42 ATOM 969 C GLN 61 -7.927 26.117 -4.873 1.00 54.22 ATOM 970 O GLN 61 -9.025 26.626 -4.637 1.00 21.24 ATOM 971 N LEU 62 -6.905 26.806 -5.385 1.00 13.12 ATOM 972 HN LEU 62 -6.037 26.362 -5.489 1.00 36.04 ATOM 973 CA LEU 62 -7.040 28.212 -5.789 1.00 5.51 ATOM 974 HA LEU 62 -7.273 28.784 -4.900 1.00 73.23 ATOM 975 CB LEU 62 -5.719 28.732 -6.381 1.00 63.30 ATOM 976 HB1 LEU 62 -5.919 29.669 -6.884 1.00 36.04 ATOM 977 HB2 LEU 62 -5.377 28.016 -7.117 1.00 33.44 ATOM 978 CG LEU 62 -4.583 28.964 -5.368 1.00 64.12 ATOM 979 HG LEU 62 -4.388 28.043 -4.835 1.00 1.33 ATOM 980 CD1 LEU 62 -3.295 29.370 -6.078 1.00 45.11 ATOM 981 HD11 LEU 62 -2.502 29.476 -5.352 1.00 14.04 ATOM 982 HD12 LEU 62 -3.442 30.311 -6.590 1.00 60.42 ATOM 983 HD13 LEU 62 -3.024 28.608 -6.796 1.00 41.15 ATOM 984 CD2 LEU 62 -4.986 30.018 -4.343 1.00 14.34 ATOM 985 HD21 LEU 62 -5.852 29.676 -3.794 1.00 12.50 ATOM 986 HD22 LEU 62 -5.222 30.943 -4.848 1.00 52.45 ATOM 987 HD23 LEU 62 -4.168 30.182 -3.655 1.00 71.10 ATOM 988 C LEU 62 -8.182 28.400 -6.802 1.00 11.22 ATOM 989 O LEU 62 -8.940 29.366 -6.722 1.00 54.30 ATOM 990 N ALA 63 -8.302 27.467 -7.747 1.00 20.32 ATOM 991 HN ALA 63 -7.634 26.751 -7.796 1.00 36.04 ATOM 992 CA ALA 63 -9.400 27.489 -8.722 1.00 72.44 ATOM 993 HA ALA 63 -9.308 28.397 -9.305 1.00 0.32 ATOM 994 CB ALA 63 -9.288 26.301 -9.673 1.00 11.41 ATOM 995 HB1 ALA 63 -8.323 26.316 -10.157 1.00 25.10 ATOM 996 HB2 ALA 63 -10.066 26.360 -10.422 1.00 62.40 ATOM 997 HB3 ALA 63 -9.395 25.381 -9.117 1.00 1.33 ATOM 998 C ALA 63 -10.768 27.489 -8.017 1.00 40.42 ATOM 999 O ALA 63 -11.665 28.256 -8.376 1.00 71.12 ATOM 1000 N LEU 64 -10.911 26.635 -7.002 1.00 23.53 ATOM 1001 HN LEU 64 -10.173 26.025 -6.786 1.00 36.04 ATOM 1002 CA LEU 64 -12.143 26.577 -6.207 1.00 32.25 ATOM 1003 HA LEU 64 -12.965 26.387 -6.886 1.00 30.45 ATOM 1004 CB LEU 64 -12.077 25.439 -5.180 1.00 24.21 ATOM 1005 HB1 LEU 64 -11.213 25.603 -4.549 1.00 36.04 ATOM 1006 HB2 LEU 64 -11.940 24.509 -5.713 1.00 74.22 ATOM 1007 CG LEU 64 -13.319 25.308 -4.277 1.00 61.25 ATOM 1008 HG LEU 64 -13.552 26.280 -3.867 1.00 52.14 ATOM 1009 CD1 LEU 64 -14.532 24.848 -5.086 1.00 11.12 ATOM 1010 HD11 LEU 64 -14.325 23.890 -5.543 1.00 12.35 ATOM 1011 HD12 LEU 64 -14.746 25.573 -5.857 1.00 63.43 ATOM 1012 HD13 LEU 64 -15.389 24.756 -4.434 1.00 22.03 ATOM 1013 CD2 LEU 64 -13.051 24.364 -3.108 1.00 21.21 ATOM 1014 HD21 LEU 64 -12.817 23.381 -3.484 1.00 43.02 ATOM 1015 HD22 LEU 64 -13.929 24.307 -2.477 1.00 23.43 ATOM 1016 HD23 LEU 64 -12.219 24.736 -2.528 1.00 23.21 ATOM 1017 C LEU 64 -12.402 27.902 -5.475 1.00 54.11 ATOM 1018 O LEU 64 -13.512 28.431 -5.509 1.00 23.42 ATOM 1019 N VAL 65 -11.371 28.425 -4.807 1.00 14.33 ATOM 1020 HN VAL 65 -10.511 27.953 -4.816 1.00 36.04 ATOM 1021 CA VAL 65 -11.489 29.686 -4.061 1.00 35.22 ATOM 1022 HA VAL 65 -12.205 29.532 -3.263 1.00 64.40 ATOM 1023 CB VAL 65 -10.136 30.104 -3.427 1.00 35.53 ATOM 1024 HB VAL 65 -9.445 30.338 -4.229 1.00 40.50 ATOM 1025 CG1 VAL 65 -10.304 31.358 -2.568 1.00 22.14 ATOM 1026 HG11 VAL 65 -11.017 31.162 -1.781 1.00 14.41 ATOM 1027 HG12 VAL 65 -10.660 32.176 -3.180 1.00 10.00 ATOM 1028 HG13 VAL 65 -9.353 31.629 -2.130 1.00 43.43 ATOM 1029 CG2 VAL 65 -9.538 28.961 -2.603 1.00 32.14 ATOM 1030 HG21 VAL 65 -10.206 28.714 -1.790 1.00 65.51 ATOM 1031 HG22 VAL 65 -8.581 29.266 -2.202 1.00 15.14 ATOM 1032 HG23 VAL 65 -9.400 28.092 -3.232 1.00 34.02 ATOM 1033 C VAL 65 -11.991 30.823 -4.969 1.00 50.02 ATOM 1034 O VAL 65 -12.851 31.615 -4.580 1.00 71.20 ATOM 1035 N ARG 66 -11.450 30.884 -6.188 1.00 2.42 ATOM 1036 HN ARG 66 -10.749 30.239 -6.425 1.00 36.04 ATOM 1037 CA ARG 66 -11.859 31.888 -7.181 1.00 13.22 ATOM 1038 HA ARG 66 -11.695 32.867 -6.747 1.00 61.53 ATOM 1039 CB ARG 66 -10.999 31.753 -8.447 1.00 3.03 ATOM 1040 HB1 ARG 66 -11.376 32.435 -9.199 1.00 36.04 ATOM 1041 HB2 ARG 66 -11.086 30.741 -8.818 1.00 33.35 ATOM 1042 CG ARG 66 -9.519 32.056 -8.223 1.00 4.43 ATOM 1043 HG1 ARG 66 -9.164 31.466 -7.389 1.00 36.04 ATOM 1044 HG2 ARG 66 -9.409 33.105 -7.991 1.00 3.45 ATOM 1045 CD ARG 66 -8.671 31.735 -9.453 1.00 0.31 ATOM 1046 HD1 ARG 66 -8.757 30.678 -9.665 1.00 36.04 ATOM 1047 HD2 ARG 66 -7.640 31.970 -9.231 1.00 54.33 ATOM 1048 NE ARG 66 -9.086 32.491 -10.637 1.00 71.44 ATOM 1049 HE ARG 66 -10.043 32.652 -10.761 1.00 62.14 ATOM 1050 CZ ARG 66 -8.263 32.948 -11.544 1.00 30.12 ATOM 1051 NH1 ARG 66 -6.986 32.755 -11.436 1.00 73.14 ATOM 1052 HH11 ARG 66 -6.622 32.253 -10.653 1.00 44.41 ATOM 1053 HH12 ARG 66 -6.367 33.108 -12.133 1.00 41.01 ATOM 1054 NH2 ARG 66 -8.727 33.597 -12.563 1.00 42.32 ATOM 1055 HH21 ARG 66 -9.710 33.747 -12.652 1.00 70.24 ATOM 1056 HH22 ARG 66 -8.102 33.945 -13.259 1.00 34.12 ATOM 1057 C ARG 66 -13.351 31.758 -7.547 1.00 32.24 ATOM 1058 O ARG 66 -14.028 32.759 -7.807 1.00 22.03 ATOM 1059 N ASP 67 -13.852 30.525 -7.574 1.00 10.21 ATOM 1060 HN ASP 67 -13.258 29.764 -7.395 1.00 36.04 ATOM 1061 CA ASP 67 -15.264 30.270 -7.878 1.00 4.43 ATOM 1062 HA ASP 67 -15.542 30.916 -8.701 1.00 50.44 ATOM 1063 CB ASP 67 -15.460 28.812 -8.314 1.00 52.35 ATOM 1064 HB1 ASP 67 -15.159 28.158 -7.509 1.00 36.04 ATOM 1065 HB2 ASP 67 -14.840 28.616 -9.178 1.00 74.34 ATOM 1066 CG ASP 67 -16.904 28.506 -8.677 1.00 15.03 ATOM 1067 OD1 ASP 67 -17.334 28.849 -9.800 1.00 14.34 ATOM 1068 OD2 ASP 67 -17.626 27.932 -7.835 1.00 63.32 ATOM 1069 C ASP 67 -16.163 30.604 -6.672 1.00 21.32 ATOM 1070 O ASP 67 -17.140 31.341 -6.807 1.00 22.11 ATOM 1071 N ILE 68 -15.820 30.073 -5.494 1.00 32.43 ATOM 1072 HN ILE 68 -15.039 29.483 -5.450 1.00 36.04 ATOM 1073 CA ILE 68 -16.584 30.344 -4.264 1.00 41.01 ATOM 1074 HA ILE 68 -17.573 29.925 -4.394 1.00 12.35 ATOM 1075 CB ILE 68 -15.932 29.673 -3.024 1.00 42.03 ATOM 1076 HB ILE 68 -14.910 30.020 -2.956 1.00 13.22 ATOM 1077 CG1 ILE 68 -15.928 28.141 -3.181 1.00 11.12 ATOM 1078 HG11 ILE 68 -15.352 27.877 -4.057 1.00 36.04 ATOM 1079 HG12 ILE 68 -16.943 27.795 -3.310 1.00 34.52 ATOM 1080 CG2 ILE 68 -16.657 30.082 -1.740 1.00 14.45 ATOM 1081 HG21 ILE 68 -17.684 29.748 -1.783 1.00 50.31 ATOM 1082 HG22 ILE 68 -16.634 31.157 -1.641 1.00 45.54 ATOM 1083 HG23 ILE 68 -16.167 29.633 -0.888 1.00 73.50 ATOM 1084 CD1 ILE 68 -15.333 27.401 -1.997 1.00 23.34 ATOM 1085 HD11 ILE 68 -14.312 27.722 -1.849 1.00 63.03 ATOM 1086 HD12 ILE 68 -15.352 26.339 -2.192 1.00 54.24 ATOM 1087 HD13 ILE 68 -15.911 27.614 -1.110 1.00 52.02 ATOM 1088 C ILE 68 -16.718 31.857 -4.012 1.00 34.30 ATOM 1089 O ILE 68 -17.798 32.345 -3.664 1.00 22.53 ATOM 1090 N ARG 69 -15.615 32.586 -4.202 1.00 51.30 ATOM 1091 HN ARG 69 -14.771 32.124 -4.409 1.00 36.04 ATOM 1092 CA ARG 69 -15.613 34.053 -4.111 1.00 4.03 ATOM 1093 HA ARG 69 -15.738 34.331 -3.074 1.00 14.12 ATOM 1094 CB ARG 69 -14.260 34.596 -4.632 1.00 25.43 ATOM 1095 HB1 ARG 69 -14.293 34.623 -5.713 1.00 36.04 ATOM 1096 HB2 ARG 69 -13.482 33.908 -4.333 1.00 21.24 ATOM 1097 CG ARG 69 -13.861 35.995 -4.134 1.00 14.03 ATOM 1098 HG1 ARG 69 -12.882 36.234 -4.525 1.00 36.04 ATOM 1099 HG2 ARG 69 -13.815 35.975 -3.056 1.00 1.33 ATOM 1100 CD ARG 69 -14.841 37.092 -4.555 1.00 44.11 ATOM 1101 HD1 ARG 69 -15.726 37.019 -3.939 1.00 36.04 ATOM 1102 HD2 ARG 69 -15.115 36.933 -5.589 1.00 4.35 ATOM 1103 NE ARG 69 -14.280 38.440 -4.422 1.00 70.13 ATOM 1104 HE ARG 69 -14.111 38.937 -5.251 1.00 72.22 ATOM 1105 CZ ARG 69 -14.031 39.042 -3.284 1.00 51.14 ATOM 1106 NH1 ARG 69 -14.151 38.422 -2.155 1.00 25.20 ATOM 1107 HH11 ARG 69 -14.435 37.469 -2.131 1.00 42.15 ATOM 1108 HH12 ARG 69 -13.950 38.904 -1.303 1.00 33.31 ATOM 1109 NH2 ARG 69 -13.622 40.267 -3.276 1.00 41.44 ATOM 1110 HH21 ARG 69 -13.490 40.759 -4.136 1.00 3.04 ATOM 1111 HH22 ARG 69 -13.448 40.723 -2.407 1.00 73.32 ATOM 1112 C ARG 69 -16.778 34.630 -4.936 1.00 64.41 ATOM 1113 O ARG 69 -17.513 35.506 -4.479 1.00 42.01 ATOM 1114 N ARG 70 -16.943 34.107 -6.147 1.00 53.32 ATOM 1115 HN ARG 70 -16.351 33.378 -6.430 1.00 36.04 ATOM 1116 CA ARG 70 -17.985 34.568 -7.065 1.00 22.01 ATOM 1117 HA ARG 70 -17.979 35.648 -7.058 1.00 61.32 ATOM 1118 CB ARG 70 -17.665 34.079 -8.484 1.00 45.43 ATOM 1119 HB1 ARG 70 -17.741 33.000 -8.504 1.00 36.04 ATOM 1120 HB2 ARG 70 -16.649 34.360 -8.725 1.00 33.30 ATOM 1121 CG ARG 70 -18.583 34.647 -9.563 1.00 64.22 ATOM 1122 HG1 ARG 70 -18.477 35.723 -9.579 1.00 36.04 ATOM 1123 HG2 ARG 70 -19.606 34.389 -9.327 1.00 54.20 ATOM 1124 CD ARG 70 -18.244 34.097 -10.946 1.00 32.43 ATOM 1125 HD1 ARG 70 -18.834 34.624 -11.683 1.00 36.04 ATOM 1126 HD2 ARG 70 -18.493 33.044 -10.975 1.00 25.40 ATOM 1127 NE ARG 70 -16.826 34.254 -11.270 1.00 73.43 ATOM 1128 HE ARG 70 -16.183 34.203 -10.535 1.00 53.51 ATOM 1129 CZ ARG 70 -16.363 34.423 -12.476 1.00 52.14 ATOM 1130 NH1 ARG 70 -17.166 34.545 -13.482 1.00 64.14 ATOM 1131 HH11 ARG 70 -18.154 34.514 -13.339 1.00 10.40 ATOM 1132 HH12 ARG 70 -16.797 34.669 -14.398 1.00 55.21 ATOM 1133 NH2 ARG 70 -15.088 34.491 -12.667 1.00 71.31 ATOM 1134 HH21 ARG 70 -14.464 34.417 -11.893 1.00 54.34 ATOM 1135 HH22 ARG 70 -14.729 34.612 -13.590 1.00 40.31 ATOM 1136 C ARG 70 -19.380 34.076 -6.639 1.00 62.30 ATOM 1137 O ARG 70 -20.361 34.812 -6.730 1.00 30.40 ATOM 1138 N ARG 71 -19.459 32.831 -6.166 1.00 22.01 ATOM 1139 HN ARG 71 -18.638 32.298 -6.089 1.00 36.04 ATOM 1140 CA ARG 71 -20.742 32.232 -5.761 1.00 63.24 ATOM 1141 HA ARG 71 -21.386 32.230 -6.628 1.00 22.43 ATOM 1142 CB ARG 71 -20.539 30.782 -5.293 1.00 73.04 ATOM 1143 HB1 ARG 71 -21.498 30.367 -5.011 1.00 36.04 ATOM 1144 HB2 ARG 71 -19.890 30.783 -4.426 1.00 14.23 ATOM 1145 CG ARG 71 -19.916 29.879 -6.352 1.00 32.44 ATOM 1146 HG1 ARG 71 -19.784 28.889 -5.935 1.00 36.04 ATOM 1147 HG2 ARG 71 -18.951 30.280 -6.628 1.00 74.04 ATOM 1148 CD ARG 71 -20.777 29.774 -7.608 1.00 63.34 ATOM 1149 HD1 ARG 71 -21.051 30.769 -7.933 1.00 36.04 ATOM 1150 HD2 ARG 71 -21.673 29.214 -7.375 1.00 60.44 ATOM 1151 NE ARG 71 -20.065 29.104 -8.691 1.00 52.44 ATOM 1152 HE ARG 71 -19.086 29.071 -8.636 1.00 41.35 ATOM 1153 CZ ARG 71 -20.631 28.560 -9.730 1.00 25.14 ATOM 1154 NH1 ARG 71 -21.921 28.559 -9.863 1.00 21.44 ATOM 1155 HH11 ARG 71 -22.495 28.983 -9.167 1.00 0.23 ATOM 1156 HH12 ARG 71 -22.337 28.130 -10.662 1.00 23.33 ATOM 1157 NH2 ARG 71 -19.895 28.011 -10.637 1.00 30.12 ATOM 1158 HH21 ARG 71 -18.896 28.008 -10.532 1.00 34.42 ATOM 1159 HH22 ARG 71 -20.319 27.595 -11.440 1.00 65.13 ATOM 1160 C ARG 71 -21.419 33.047 -4.655 1.00 2.31 ATOM 1161 O ARG 71 -22.602 33.384 -4.749 1.00 12.45 ATOM 1162 N GLY 72 -20.667 33.355 -3.605 1.00 41.42 ATOM 1163 HN GLY 72 -19.751 33.007 -3.551 1.00 36.04 ATOM 1164 CA GLY 72 -21.191 34.192 -2.535 1.00 34.00 ATOM 1165 HA1 GLY 72 -20.490 34.186 -1.715 1.00 36.04 ATOM 1166 HA2 GLY 72 -22.130 33.780 -2.195 1.00 32.34 ATOM 1167 C GLY 72 -21.414 35.634 -2.983 1.00 22.21 ATOM 1168 O GLY 72 -22.418 36.257 -2.633 1.00 42.10 ATOM 1169 N LYS 73 -20.476 36.160 -3.773 1.00 65.33 ATOM 1170 HN LYS 73 -19.698 35.613 -4.011 1.00 36.04 ATOM 1171 CA LYS 73 -20.566 37.532 -4.291 1.00 41.45 ATOM 1172 HA LYS 73 -20.653 38.201 -3.443 1.00 25.24 ATOM 1173 CB LYS 73 -19.294 37.886 -5.077 1.00 53.31 ATOM 1174 HB1 LYS 73 -19.271 37.298 -5.984 1.00 36.04 ATOM 1175 HB2 LYS 73 -18.431 37.627 -4.478 1.00 22.33 ATOM 1176 CG LYS 73 -19.182 39.361 -5.464 1.00 52.05 ATOM 1177 HG1 LYS 73 -20.077 39.652 -5.995 1.00 36.04 ATOM 1178 HG2 LYS 73 -18.324 39.489 -6.111 1.00 52.03 ATOM 1179 CD LYS 73 -19.016 40.260 -4.240 1.00 15.34 ATOM 1180 HD1 LYS 73 -19.886 40.156 -3.605 1.00 36.04 ATOM 1181 HD2 LYS 73 -18.934 41.288 -4.569 1.00 41.34 ATOM 1182 CE LYS 73 -17.771 39.901 -3.439 1.00 50.44 ATOM 1183 HE1 LYS 73 -16.910 39.972 -4.086 1.00 36.04 ATOM 1184 HE2 LYS 73 -17.867 38.885 -3.078 1.00 3.41 ATOM 1185 NZ LYS 73 -17.580 40.809 -2.281 1.00 13.43 ATOM 1186 HZ1 LYS 73 -18.427 40.805 -1.681 1.00 22.32 ATOM 1187 HZ2 LYS 73 -17.412 41.778 -2.615 1.00 52.41 ATOM 1188 HZ3 LYS 73 -16.763 40.506 -1.712 1.00 54.43 ATOM 1189 C LYS 73 -21.798 37.711 -5.192 1.00 73.50 ATOM 1190 O LYS 73 -22.382 38.790 -5.249 1.00 35.11 ATOM 1191 N ASN 74 -22.190 36.642 -5.887 1.00 11.05 ATOM 1192 HN ASN 74 -21.683 35.807 -5.796 1.00 36.04 ATOM 1193 CA ASN 74 -23.345 36.676 -6.793 1.00 32.13 ATOM 1194 HA ASN 74 -23.141 37.416 -7.554 1.00 71.03 ATOM 1195 CB ASN 74 -23.526 35.311 -7.466 1.00 35.00 ATOM 1196 HB1 ASN 74 -23.874 34.600 -6.729 1.00 36.04 ATOM 1197 HB2 ASN 74 -22.575 34.980 -7.855 1.00 63.24 ATOM 1198 CG ASN 74 -24.525 35.348 -8.612 1.00 3.50 ATOM 1199 OD1 ASN 74 -24.659 36.350 -9.308 1.00 14.21 ATOM 1200 ND2 ASN 74 -25.232 34.258 -8.820 1.00 45.24 ATOM 1201 HD21 ASN 74 -25.085 33.489 -8.232 1.00 65.10 ATOM 1202 HD22 ASN 74 -25.879 34.265 -9.554 1.00 73.25 ATOM 1203 C ASN 74 -24.631 37.075 -6.048 1.00 51.34 ATOM 1204 O ASN 74 -25.533 37.681 -6.627 1.00 64.02 ATOM 1205 N LYS 75 -24.704 36.737 -4.759 1.00 12.42 ATOM 1206 HN LYS 75 -23.979 36.208 -4.361 1.00 36.04 ATOM 1207 CA LYS 75 -25.840 37.142 -3.922 1.00 14.30 ATOM 1208 HA LYS 75 -26.743 36.789 -4.399 1.00 75.52 ATOM 1209 CB LYS 75 -25.730 36.510 -2.524 1.00 4.21 ATOM 1210 HB1 LYS 75 -24.827 36.869 -2.051 1.00 36.04 ATOM 1211 HB2 LYS 75 -25.663 35.436 -2.630 1.00 54.11 ATOM 1212 CG LYS 75 -26.909 36.825 -1.603 1.00 71.35 ATOM 1213 HG1 LYS 75 -26.965 37.895 -1.460 1.00 36.04 ATOM 1214 HG2 LYS 75 -26.745 36.344 -0.649 1.00 21.41 ATOM 1215 CD LYS 75 -28.232 36.331 -2.181 1.00 42.42 ATOM 1216 HD1 LYS 75 -28.179 35.260 -2.309 1.00 36.04 ATOM 1217 HD2 LYS 75 -28.394 36.801 -3.141 1.00 52.41 ATOM 1218 CE LYS 75 -29.405 36.661 -1.266 1.00 24.40 ATOM 1219 HE1 LYS 75 -30.317 36.310 -1.730 1.00 36.04 ATOM 1220 HE2 LYS 75 -29.458 37.732 -1.139 1.00 5.15 ATOM 1221 NZ LYS 75 -29.268 36.023 0.068 1.00 74.31 ATOM 1222 HZ1 LYS 75 -28.350 36.268 0.489 1.00 74.33 ATOM 1223 HZ2 LYS 75 -29.329 34.989 -0.019 1.00 33.30 ATOM 1224 HZ3 LYS 75 -30.022 36.353 0.701 1.00 51.04 ATOM 1225 C LYS 75 -25.908 38.676 -3.817 1.00 24.43 ATOM 1226 O LYS 75 -26.989 39.265 -3.828 1.00 45.11 ATOM 1227 N VAL 76 -24.741 39.313 -3.727 1.00 52.03 ATOM 1228 HN VAL 76 -23.917 38.786 -3.647 1.00 36.04 ATOM 1229 CA VAL 76 -24.652 40.775 -3.745 1.00 55.55 ATOM 1230 HA VAL 76 -25.429 41.169 -3.101 1.00 53.05 ATOM 1231 CB VAL 76 -23.276 41.256 -3.213 1.00 73.11 ATOM 1232 HB VAL 76 -22.512 40.907 -3.894 1.00 73.11 ATOM 1233 CG1 VAL 76 -23.209 42.781 -3.171 1.00 2.10 ATOM 1234 HG11 VAL 76 -22.238 43.092 -2.812 1.00 43.35 ATOM 1235 HG12 VAL 76 -23.976 43.160 -2.510 1.00 32.50 ATOM 1236 HG13 VAL 76 -23.365 43.176 -4.165 1.00 72.34 ATOM 1237 CG2 VAL 76 -22.989 40.658 -1.834 1.00 62.10 ATOM 1238 HG21 VAL 76 -23.012 39.579 -1.896 1.00 74.43 ATOM 1239 HG22 VAL 76 -23.737 40.992 -1.129 1.00 54.31 ATOM 1240 HG23 VAL 76 -22.012 40.975 -1.499 1.00 62.33 ATOM 1241 C VAL 76 -24.869 41.304 -5.174 1.00 62.15 ATOM 1242 O VAL 76 -25.509 42.338 -5.386 1.00 22.52 ATOM 1243 N ALA 77 -24.348 40.567 -6.156 1.00 12.24 ATOM 1244 HN ALA 77 -23.815 39.782 -5.921 1.00 36.04 ATOM 1245 CA ALA 77 -24.544 40.896 -7.572 1.00 65.43 ATOM 1246 HA ALA 77 -24.156 41.894 -7.733 1.00 54.44 ATOM 1247 CB ALA 77 -23.759 39.935 -8.458 1.00 72.31 ATOM 1248 HB1 ALA 77 -22.716 39.948 -8.173 1.00 14.51 ATOM 1249 HB2 ALA 77 -23.850 40.238 -9.492 1.00 4.44 ATOM 1250 HB3 ALA 77 -24.150 38.933 -8.342 1.00 61.45 ATOM 1251 C ALA 77 -26.034 40.881 -7.949 1.00 62.51 ATOM 1252 O ALA 77 -26.457 41.589 -8.856 1.00 33.03 ATOM 1253 N ALA 78 -26.826 40.071 -7.242 1.00 3.34 ATOM 1254 HN ALA 78 -26.419 39.456 -6.594 1.00 36.04 ATOM 1255 CA ALA 78 -28.285 40.059 -7.424 1.00 60.41 ATOM 1256 HA ALA 78 -28.492 39.767 -8.445 1.00 62.53 ATOM 1257 CB ALA 78 -28.926 39.027 -6.497 1.00 52.21 ATOM 1258 HB1 ALA 78 -28.686 39.262 -5.471 1.00 72.03 ATOM 1259 HB2 ALA 78 -28.551 38.042 -6.739 1.00 23.32 ATOM 1260 HB3 ALA 78 -29.999 39.042 -6.626 1.00 44.44 ATOM 1261 C ALA 78 -28.888 41.455 -7.175 1.00 74.15 ATOM 1262 O ALA 78 -29.921 41.811 -7.747 1.00 43.11 ATOM 1263 N GLN 79 -28.235 42.236 -6.313 1.00 24.21 ATOM 1264 HN GLN 79 -27.467 41.862 -5.828 1.00 36.04 ATOM 1265 CA GLN 79 -28.628 43.627 -6.055 1.00 13.44 ATOM 1266 HA GLN 79 -29.695 43.712 -6.215 1.00 1.42 ATOM 1267 CB GLN 79 -28.305 44.001 -4.600 1.00 53.20 ATOM 1268 HB1 GLN 79 -28.575 45.035 -4.439 1.00 36.04 ATOM 1269 HB2 GLN 79 -27.240 43.890 -4.442 1.00 64.45 ATOM 1270 CG GLN 79 -29.031 43.151 -3.562 1.00 52.43 ATOM 1271 HG1 GLN 79 -28.825 42.108 -3.757 1.00 36.04 ATOM 1272 HG2 GLN 79 -30.094 43.327 -3.649 1.00 32.43 ATOM 1273 CD GLN 79 -28.599 43.475 -2.141 1.00 32.04 ATOM 1274 OE1 GLN 79 -27.663 42.884 -1.613 1.00 32.24 ATOM 1275 NE2 GLN 79 -29.267 44.426 -1.516 1.00 1.33 ATOM 1276 HE21 GLN 79 -29.999 44.873 -1.991 1.00 13.44 ATOM 1277 HE22 GLN 79 -28.997 44.648 -0.599 1.00 23.53 ATOM 1278 C GLN 79 -27.899 44.591 -7.008 1.00 43.13 ATOM 1279 O GLN 79 -28.440 45.624 -7.406 1.00 62.24 ATOM 1280 N ASN 80 -26.661 44.243 -7.364 1.00 32.21 ATOM 1281 HN ASN 80 -26.292 43.401 -7.022 1.00 36.04 ATOM 1282 CA ASN 80 -25.828 45.078 -8.246 1.00 51.25 ATOM 1283 HA ASN 80 -26.210 46.088 -8.212 1.00 43.13 ATOM 1284 CB ASN 80 -24.376 45.079 -7.746 1.00 43.41 ATOM 1285 HB1 ASN 80 -23.790 45.742 -8.368 1.00 36.04 ATOM 1286 HB2 ASN 80 -23.977 44.079 -7.822 1.00 31.02 ATOM 1287 CG ASN 80 -24.248 45.537 -6.304 1.00 52.13 ATOM 1288 OD1 ASN 80 -25.069 46.299 -5.802 1.00 64.14 ATOM 1289 ND2 ASN 80 -23.205 45.095 -5.630 1.00 12.41 ATOM 1290 HD21 ASN 80 -22.573 44.499 -6.086 1.00 3.13 ATOM 1291 HD22 ASN 80 -23.104 45.380 -4.699 1.00 25.30 ATOM 1292 C ASN 80 -25.865 44.585 -9.703 1.00 10.52 ATOM 1293 O ASN 80 -24.931 44.821 -10.474 1.00 31.21 ATOM 1294 N TYR 81 -26.950 43.918 -10.084 1.00 20.43 ATOM 1295 HN TYR 81 -27.686 43.808 -9.449 1.00 36.04 ATOM 1296 CA TYR 81 -27.069 43.340 -11.425 1.00 33.13 ATOM 1297 HA TYR 81 -26.124 42.872 -11.662 1.00 32.42 ATOM 1298 CB TYR 81 -28.166 42.265 -11.457 1.00 35.24 ATOM 1299 HB1 TYR 81 -29.131 42.736 -11.327 1.00 36.04 ATOM 1300 HB2 TYR 81 -28.001 41.569 -10.646 1.00 23.53 ATOM 1301 CG TYR 81 -28.202 41.468 -12.752 1.00 51.22 ATOM 1302 CD1 TYR 81 -27.275 40.458 -12.993 1.00 33.50 ATOM 1303 HD1 TYR 81 -26.526 40.243 -12.243 1.00 62.33 ATOM 1304 CD2 TYR 81 -29.154 41.728 -13.734 1.00 52.02 ATOM 1305 HD2 TYR 81 -29.881 42.509 -13.567 1.00 32.31 ATOM 1306 CE1 TYR 81 -27.296 39.733 -14.169 1.00 70.43 ATOM 1307 HE1 TYR 81 -26.568 38.952 -14.333 1.00 65.40 ATOM 1308 CE2 TYR 81 -29.181 41.005 -14.912 1.00 54.24 ATOM 1309 HE2 TYR 81 -29.928 41.220 -15.661 1.00 74.44 ATOM 1310 CZ TYR 81 -28.250 40.011 -15.125 1.00 13.01 ATOM 1311 OH TYR 81 -28.271 39.292 -16.302 1.00 54.40 ATOM 1312 HH TYR 81 -28.145 38.352 -16.110 1.00 4.33 ATOM 1313 C TYR 81 -27.358 44.415 -12.485 1.00 24.41 ATOM 1314 O TYR 81 -28.265 45.236 -12.330 1.00 5.51 ATOM 1315 N ARG 82 -26.573 44.398 -13.558 1.00 15.44 ATOM 1316 HN ARG 82 -25.847 43.741 -13.601 1.00 36.04 ATOM 1317 CA ARG 82 -26.753 45.328 -14.674 1.00 22.23 ATOM 1318 HA ARG 82 -26.883 46.322 -14.266 1.00 25.43 ATOM 1319 CB ARG 82 -25.505 45.314 -15.567 1.00 2.13 ATOM 1320 HB1 ARG 82 -25.317 44.296 -15.883 1.00 36.04 ATOM 1321 HB2 ARG 82 -24.661 45.658 -14.987 1.00 45.50 ATOM 1322 CG ARG 82 -25.613 46.189 -16.816 1.00 32.32 ATOM 1323 HG1 ARG 82 -25.646 47.228 -16.521 1.00 36.04 ATOM 1324 HG2 ARG 82 -26.521 45.936 -17.344 1.00 74.34 ATOM 1325 CD ARG 82 -24.425 45.975 -17.746 1.00 13.43 ATOM 1326 HD1 ARG 82 -23.523 46.300 -17.244 1.00 36.04 ATOM 1327 HD2 ARG 82 -24.572 46.562 -18.642 1.00 64.01 ATOM 1328 NE ARG 82 -24.292 44.568 -18.117 1.00 41.22 ATOM 1329 HE ARG 82 -25.105 44.033 -18.138 1.00 3.24 ATOM 1330 CZ ARG 82 -23.163 43.980 -18.394 1.00 5.34 ATOM 1331 NH1 ARG 82 -22.054 44.644 -18.404 1.00 5.44 ATOM 1332 HH11 ARG 82 -22.053 45.622 -18.197 1.00 34.13 ATOM 1333 HH12 ARG 82 -21.200 44.180 -18.621 1.00 40.14 ATOM 1334 NH2 ARG 82 -23.151 42.719 -18.667 1.00 35.12 ATOM 1335 HH21 ARG 82 -24.004 42.199 -18.667 1.00 20.32 ATOM 1336 HH22 ARG 82 -22.288 42.261 -18.867 1.00 73.33 ATOM 1337 C ARG 82 -27.993 44.959 -15.504 1.00 73.31 ATOM 1338 O ARG 82 -28.005 43.942 -16.206 1.00 51.40 ATOM 1339 N LYS 83 -29.034 45.781 -15.418 1.00 35.44 ATOM 1340 HN LYS 83 -28.979 46.558 -14.823 1.00 36.04 ATOM 1341 CA LYS 83 -30.266 45.545 -16.178 1.00 31.43 ATOM 1342 HA LYS 83 -30.428 44.476 -16.213 1.00 73.13 ATOM 1343 CB LYS 83 -31.465 46.201 -15.473 1.00 44.14 ATOM 1344 HB1 LYS 83 -31.272 47.259 -15.371 1.00 36.04 ATOM 1345 HB2 LYS 83 -31.567 45.771 -14.486 1.00 1.51 ATOM 1346 CG LYS 83 -32.795 46.028 -16.212 1.00 14.13 ATOM 1347 HG1 LYS 83 -32.682 46.401 -17.220 1.00 36.04 ATOM 1348 HG2 LYS 83 -33.555 46.601 -15.702 1.00 0.44 ATOM 1349 CD LYS 83 -33.240 44.567 -16.274 1.00 24.20 ATOM 1350 HD1 LYS 83 -32.462 43.983 -16.746 1.00 36.04 ATOM 1351 HD2 LYS 83 -34.146 44.502 -16.861 1.00 72.01 ATOM 1352 CE LYS 83 -33.512 44.002 -14.886 1.00 14.31 ATOM 1353 HE1 LYS 83 -34.233 44.635 -14.387 1.00 36.04 ATOM 1354 HE2 LYS 83 -32.590 43.997 -14.322 1.00 43.11 ATOM 1355 NZ LYS 83 -34.045 42.618 -14.943 1.00 20.53 ATOM 1356 HZ1 LYS 83 -33.342 41.980 -15.365 1.00 22.32 ATOM 1357 HZ2 LYS 83 -34.912 42.589 -15.515 1.00 70.43 ATOM 1358 HZ3 LYS 83 -34.266 42.282 -13.982 1.00 61.51 ATOM 1359 C LYS 83 -30.153 46.073 -17.619 1.00 24.14 ATOM 1360 O LYS 83 -29.692 47.190 -17.850 1.00 10.03 ATOM 1361 N ARG 84 -30.570 45.253 -18.576 1.00 71.01 ATOM 1362 HN ARG 84 -30.846 44.341 -18.329 1.00 36.04 ATOM 1363 CA ARG 84 -30.624 45.646 -19.987 1.00 42.25 ATOM 1364 HA ARG 84 -30.892 46.692 -20.035 1.00 51.12 ATOM 1365 CB ARG 84 -29.254 45.442 -20.654 1.00 1.01 ATOM 1366 HB1 ARG 84 -28.548 46.139 -20.224 1.00 36.04 ATOM 1367 HB2 ARG 84 -29.348 45.648 -21.713 1.00 42.34 ATOM 1368 CG ARG 84 -28.697 44.029 -20.488 1.00 5.01 ATOM 1369 HG1 ARG 84 -29.439 43.322 -20.837 1.00 36.04 ATOM 1370 HG2 ARG 84 -28.498 43.853 -19.441 1.00 15.33 ATOM 1371 CD ARG 84 -27.406 43.821 -21.276 1.00 12.24 ATOM 1372 HD1 ARG 84 -26.722 44.626 -21.044 1.00 36.04 ATOM 1373 HD2 ARG 84 -27.637 43.839 -22.330 1.00 62.34 ATOM 1374 NE ARG 84 -26.765 42.548 -20.947 1.00 63.51 ATOM 1375 HE ARG 84 -26.467 42.420 -20.024 1.00 72.34 ATOM 1376 CZ ARG 84 -26.551 41.580 -21.799 1.00 63.30 ATOM 1377 NH1 ARG 84 -26.950 41.679 -23.029 1.00 23.12 ATOM 1378 HH11 ARG 84 -27.421 42.498 -23.335 1.00 10.04 ATOM 1379 HH12 ARG 84 -26.791 40.924 -23.666 1.00 50.23 ATOM 1380 NH2 ARG 84 -25.939 40.511 -21.410 1.00 55.32 ATOM 1381 HH21 ARG 84 -25.635 40.427 -20.463 1.00 45.12 ATOM 1382 HH22 ARG 84 -25.765 39.769 -22.058 1.00 42.42 ATOM 1383 C ARG 84 -31.690 44.826 -20.726 1.00 11.31 ATOM 1384 O ARG 84 -32.317 43.945 -20.138 1.00 41.42 ATOM 1385 N LYS 85 -31.898 45.110 -22.008 1.00 2.42 ATOM 1386 HN LYS 85 -31.428 45.866 -22.418 1.00 36.04 ATOM 1387 CA LYS 85 -32.823 44.309 -22.818 1.00 35.41 ATOM 1388 HA LYS 85 -32.937 43.351 -22.326 1.00 21.40 ATOM 1389 CB LYS 85 -34.216 44.979 -22.915 1.00 20.33 ATOM 1390 HB1 LYS 85 -34.476 45.370 -21.942 1.00 36.04 ATOM 1391 HB2 LYS 85 -34.941 44.224 -23.185 1.00 42.02 ATOM 1392 CG LYS 85 -34.322 46.123 -23.931 1.00 42.23 ATOM 1393 HG1 LYS 85 -35.369 46.357 -24.085 1.00 36.04 ATOM 1394 HG2 LYS 85 -33.894 45.796 -24.867 1.00 3.30 ATOM 1395 CD LYS 85 -33.596 47.388 -23.481 1.00 73.21 ATOM 1396 HD1 LYS 85 -33.579 48.091 -24.303 1.00 36.04 ATOM 1397 HD2 LYS 85 -32.583 47.133 -23.205 1.00 24.31 ATOM 1398 CE LYS 85 -34.282 48.043 -22.288 1.00 42.22 ATOM 1399 HE1 LYS 85 -34.200 47.386 -21.433 1.00 36.04 ATOM 1400 HE2 LYS 85 -35.324 48.194 -22.527 1.00 23.25 ATOM 1401 NZ LYS 85 -33.671 49.354 -21.950 1.00 54.03 ATOM 1402 HZ1 LYS 85 -32.668 49.233 -21.725 1.00 21.44 ATOM 1403 HZ2 LYS 85 -34.150 49.769 -21.124 1.00 43.30 ATOM 1404 HZ3 LYS 85 -33.760 50.009 -22.754 1.00 70.43 ATOM 1405 C LYS 85 -32.253 44.059 -24.223 1.00 11.11 ATOM 1406 O LYS 85 -31.730 44.972 -24.869 1.00 43.15 ATOM 1407 N LEU 86 -32.318 42.815 -24.677 1.00 21.52 ATOM 1408 HN LEU 86 -32.600 42.096 -24.070 1.00 36.04 ATOM 1409 CA LEU 86 -31.963 42.487 -26.056 1.00 3.24 ATOM 1410 HA LEU 86 -31.169 43.155 -26.367 1.00 12.44 ATOM 1411 CB LEU 86 -31.466 41.038 -26.158 1.00 21.34 ATOM 1412 HB1 LEU 86 -32.272 40.382 -25.859 1.00 36.04 ATOM 1413 HB2 LEU 86 -30.646 40.910 -25.464 1.00 3.34 ATOM 1414 CG LEU 86 -30.991 40.606 -27.557 1.00 43.13 ATOM 1415 HG LEU 86 -31.811 40.709 -28.254 1.00 61.35 ATOM 1416 CD1 LEU 86 -29.850 41.502 -28.043 1.00 21.51 ATOM 1417 HD11 LEU 86 -30.179 42.531 -28.051 1.00 43.32 ATOM 1418 HD12 LEU 86 -29.563 41.211 -29.043 1.00 25.24 ATOM 1419 HD13 LEU 86 -29.001 41.403 -27.381 1.00 4.33 ATOM 1420 CD2 LEU 86 -30.566 39.138 -27.551 1.00 3.50 ATOM 1421 HD21 LEU 86 -29.753 38.996 -26.852 1.00 44.33 ATOM 1422 HD22 LEU 86 -30.243 38.851 -28.542 1.00 72.20 ATOM 1423 HD23 LEU 86 -31.404 38.524 -27.256 1.00 63.43 ATOM 1424 C LEU 86 -33.176 42.699 -26.970 1.00 23.32 ATOM 1425 O LEU 86 -34.211 42.054 -26.794 1.00 45.14 ATOM 1426 N GLU 87 -33.044 43.615 -27.933 1.00 54.31 ATOM 1427 HN GLU 87 -32.184 44.071 -28.039 1.00 36.04 ATOM 1428 CA GLU 87 -34.150 43.963 -28.836 1.00 71.24 ATOM 1429 HA GLU 87 -34.916 44.441 -28.240 1.00 54.21 ATOM 1430 CB GLU 87 -33.671 44.958 -29.902 1.00 10.34 ATOM 1431 HB1 GLU 87 -34.508 45.225 -30.533 1.00 36.04 ATOM 1432 HB2 GLU 87 -32.911 44.483 -30.508 1.00 25.15 ATOM 1433 CG GLU 87 -33.084 46.240 -29.316 1.00 24.15 ATOM 1434 HG1 GLU 87 -32.219 45.981 -28.722 1.00 36.04 ATOM 1435 HG2 GLU 87 -33.826 46.702 -28.679 1.00 35.32 ATOM 1436 CD GLU 87 -32.661 47.244 -30.375 1.00 51.25 ATOM 1437 OE1 GLU 87 -31.608 47.038 -31.014 1.00 11.31 ATOM 1438 OE2 GLU 87 -33.371 48.254 -30.564 1.00 71.11 ATOM 1439 C GLU 87 -34.756 42.715 -29.494 1.00 53.24 ATOM 1440 O GLU 87 -34.236 42.198 -30.484 1.00 65.21 ATOM 1441 N THR 88 -35.847 42.226 -28.910 1.00 52.11 ATOM 1442 HN THR 88 -36.221 42.705 -28.137 1.00 36.04 ATOM 1443 CA THR 88 -36.503 40.997 -29.373 1.00 15.30 ATOM 1444 HA THR 88 -35.750 40.370 -29.834 1.00 63.02 ATOM 1445 CB THR 88 -37.126 40.217 -28.184 1.00 0.23 ATOM 1446 HB THR 88 -37.899 40.829 -27.739 1.00 21.41 ATOM 1447 OG1 THR 88 -36.124 39.941 -27.190 1.00 41.22 ATOM 1448 HG1 THR 88 -35.477 40.659 -27.186 1.00 33.31 ATOM 1449 CG2 THR 88 -37.752 38.903 -28.644 1.00 54.34 ATOM 1450 HG21 THR 88 -37.000 38.292 -29.121 1.00 51.43 ATOM 1451 HG22 THR 88 -38.549 39.107 -29.345 1.00 73.33 ATOM 1452 HG23 THR 88 -38.151 38.378 -27.789 1.00 11.33 ATOM 1453 C THR 88 -37.600 41.300 -30.404 1.00 62.03 ATOM 1454 O THR 88 -38.417 42.204 -30.211 1.00 25.11 ATOM 1455 N ILE 89 -37.615 40.546 -31.500 1.00 54.02 ATOM 1456 HN ILE 89 -36.933 39.849 -31.610 1.00 36.04 ATOM 1457 CA ILE 89 -38.631 40.721 -32.543 1.00 41.11 ATOM 1458 HA ILE 89 -38.918 41.766 -32.558 1.00 73.43 ATOM 1459 CB ILE 89 -38.073 40.352 -33.941 1.00 42.20 ATOM 1460 HB ILE 89 -37.800 39.305 -33.925 1.00 41.21 ATOM 1461 CG1 ILE 89 -36.823 41.188 -34.264 1.00 11.02 ATOM 1462 HG11 ILE 89 -36.451 40.904 -35.239 1.00 36.04 ATOM 1463 HG12 ILE 89 -36.063 40.985 -33.526 1.00 11.44 ATOM 1464 CG2 ILE 89 -39.141 40.541 -35.019 1.00 55.20 ATOM 1465 HG21 ILE 89 -38.728 40.288 -35.985 1.00 65.21 ATOM 1466 HG22 ILE 89 -39.467 41.572 -35.027 1.00 71.55 ATOM 1467 HG23 ILE 89 -39.985 39.899 -34.810 1.00 22.12 ATOM 1468 CD1 ILE 89 -37.064 42.688 -34.279 1.00 2.11 ATOM 1469 HD11 ILE 89 -36.132 43.198 -34.472 1.00 50.04 ATOM 1470 HD12 ILE 89 -37.455 43.003 -33.323 1.00 45.21 ATOM 1471 HD13 ILE 89 -37.773 42.933 -35.057 1.00 13.22 ATOM 1472 C ILE 89 -39.876 39.869 -32.251 1.00 42.42 ATOM 1473 O ILE 89 -39.829 38.637 -32.304 1.00 14.43 ATOM 1474 N VAL 90 -40.982 40.531 -31.929 1.00 53.14 ATOM 1475 HN VAL 90 -40.954 41.508 -31.885 1.00 36.04 ATOM 1476 CA VAL 90 -42.243 39.841 -31.640 1.00 3.22 ATOM 1477 HA VAL 90 -42.004 38.843 -31.292 1.00 25.13 ATOM 1478 CB VAL 90 -43.035 40.565 -30.522 1.00 71.31 ATOM 1479 HB VAL 90 -43.967 40.036 -30.372 1.00 31.30 ATOM 1480 CG1 VAL 90 -42.259 40.540 -29.205 1.00 4.32 ATOM 1481 HG11 VAL 90 -42.840 41.029 -28.437 1.00 54.44 ATOM 1482 HG12 VAL 90 -41.317 41.058 -29.327 1.00 11.11 ATOM 1483 HG13 VAL 90 -42.070 39.517 -28.915 1.00 30.34 ATOM 1484 CG2 VAL 90 -43.361 42.001 -30.929 1.00 31.44 ATOM 1485 HG21 VAL 90 -43.984 41.994 -31.814 1.00 60.11 ATOM 1486 HG22 VAL 90 -42.446 42.536 -31.140 1.00 35.30 ATOM 1487 HG23 VAL 90 -43.888 42.494 -30.125 1.00 5.11 ATOM 1488 C VAL 90 -43.119 39.724 -32.897 1.00 63.14 ATOM 1489 O VAL 90 -42.966 40.491 -33.849 1.00 4.03 ATOM 1490 N GLN 91 -44.029 38.754 -32.902 1.00 62.50 ATOM 1491 HN GLN 91 -44.105 38.167 -32.119 1.00 36.04 ATOM 1492 HA GLN 91 -44.482 39.040 -34.896 1.00 45.10 ATOM 1493 CB GLN 91 -45.017 37.034 -34.373 1.00 31.20 ATOM 1494 HB1 GLN 91 -44.070 36.714 -34.786 1.00 36.04 ATOM 1495 HB2 GLN 91 -45.785 36.888 -35.120 1.00 64.21 ATOM 1496 CG GLN 91 -45.343 36.141 -33.177 1.00 62.01 ATOM 1497 HG1 GLN 91 -46.292 36.447 -32.761 1.00 36.04 ATOM 1498 HG2 GLN 91 -44.572 36.262 -32.431 1.00 32.55 ATOM 1499 CD GLN 91 -45.429 34.672 -33.550 1.00 64.13 ATOM 1500 OE1 GLN 91 -44.447 33.937 -33.482 1.00 40.50 ATOM 1501 NE2 GLN 91 -46.601 34.235 -33.959 1.00 51.10 ATOM 1502 HE21 GLN 91 -47.345 34.874 -34.002 1.00 75.51 ATOM 1503 HE22 GLN 91 -46.683 33.286 -34.189 1.00 23.30 ATOM 1504 CA GLN 91 -44.925 38.539 -34.045 1.00 61.13 ATOM 1505 C GLN 91 -46.326 39.154 -33.806 1.00 52.01 ATOM 1506 OT1 GLN 91 -47.157 38.541 -33.101 1.00 36.04 ATOM 1507 OT2 GLN 91 -46.595 40.251 -34.350 1.00 36.04 ATOM 1508 OH2 TIP3 1 -44.813 29.544 -33.755 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -44.623 28.801 -33.169 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -45.061 30.275 -33.141 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -42.391 33.272 -34.969 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -42.789 32.714 -35.673 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -43.145 33.478 -34.373 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -46.709 31.140 -35.091 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -47.308 31.364 -34.340 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -46.004 30.604 -34.677 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -43.629 29.348 -36.211 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -44.381 29.060 -36.765 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -44.000 29.373 -35.301 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -46.288 29.321 -37.239 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -46.639 29.672 -38.084 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -46.414 30.055 -36.605 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -48.382 32.226 -33.267 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -48.394 33.077 -32.784 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -49.328 32.026 -33.424 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -48.571 29.957 -24.902 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -48.775 29.943 -23.966 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -49.419 29.708 -25.337 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -45.358 32.025 -39.101 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -46.128 31.470 -39.334 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -45.745 32.778 -38.608 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -50.806 29.223 -26.315 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -51.656 28.886 -26.603 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -50.265 29.253 -27.141 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -46.890 29.733 -27.102 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -46.475 30.615 -27.241 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -47.370 29.823 -26.249 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -47.757 30.656 -39.190 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -48.103 31.169 -38.424 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -48.552 30.374 -39.662 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -43.493 31.938 -37.120 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -44.114 31.857 -37.880 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -43.354 31.013 -36.828 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -44.061 37.146 -30.295 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -44.263 36.337 -29.787 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -44.712 37.801 -29.963 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -45.724 31.418 -32.025 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -46.040 32.270 -31.653 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -45.024 31.135 -31.399 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -51.056 32.007 -33.709 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -51.087 32.920 -34.065 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -51.177 31.432 -34.506 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -45.853 29.210 -29.642 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -46.118 29.152 -28.701 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -46.682 29.434 -30.108 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -42.705 33.100 -31.416 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -43.015 32.195 -31.196 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -43.373 33.434 -32.044 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -50.501 31.783 -31.014 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -51.351 31.503 -30.618 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -50.708 31.887 -31.966 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -43.697 30.698 -30.408 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -44.364 30.082 -30.022 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -42.920 30.618 -29.806 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -38.774 36.312 -32.928 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -39.296 35.519 -32.660 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -39.348 37.071 -32.685 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -40.134 31.972 -33.975 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -40.918 32.453 -34.303 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -40.238 31.072 -34.347 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -40.987 29.691 -35.305 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -41.915 29.598 -35.601 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -40.561 28.886 -35.608 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -46.313 34.110 -37.640 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -45.874 34.964 -37.846 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -46.284 34.055 -36.676 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -49.195 29.245 -28.499 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -48.958 29.528 -29.403 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -48.349 29.294 -28.006 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -46.205 33.426 -30.223 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -45.763 34.175 -29.769 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -47.159 33.560 -30.033 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -50.533 34.660 -34.391 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -50.801 35.583 -34.256 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -50.018 34.683 -35.228 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -53.218 31.094 -30.709 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -53.448 30.747 -31.577 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -54.052 31.124 -30.234 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -48.946 28.758 -36.500 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -47.997 28.826 -36.712 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -49.116 27.813 -36.475 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -40.409 35.446 -27.853 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -40.196 35.987 -28.619 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -41.153 34.883 -28.157 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -41.537 30.715 -28.748 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -41.646 31.080 -27.840 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -40.593 30.545 -28.820 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -48.150 30.309 -30.856 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -48.983 30.815 -30.982 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -47.521 30.732 -31.468 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -45.646 32.050 -27.800 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -45.861 32.370 -28.698 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -44.788 32.446 -27.606 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -48.189 35.494 -27.641 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -48.728 36.223 -28.026 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -48.407 34.721 -28.200 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -46.406 41.860 -39.343 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -46.813 41.399 -40.078 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -45.634 41.299 -39.105 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -52.064 43.586 -34.218 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -51.379 43.905 -34.831 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -52.088 42.633 -34.364 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -47.173 43.363 -37.160 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -47.052 43.037 -38.078 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -46.519 42.844 -36.643 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -46.022 42.499 -32.935 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -46.094 41.621 -33.366 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -45.923 43.124 -33.680 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -54.293 40.469 -39.724 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -53.568 40.167 -39.166 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -54.876 40.940 -39.124 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -44.357 40.028 -38.890 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -44.048 39.199 -39.300 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -43.869 40.075 -38.045 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -50.249 41.103 -35.931 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -49.848 41.152 -35.039 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -50.189 42.022 -36.268 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -49.333 34.721 -36.899 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -49.917 34.864 -37.673 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -48.695 35.464 -36.943 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -48.507 44.308 -33.711 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -47.593 44.552 -33.999 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -48.548 44.592 -32.789 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -42.929 40.212 -36.469 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -42.976 40.348 -35.493 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -42.090 39.753 -36.600 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -51.400 38.589 -35.826 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -51.087 39.514 -35.907 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -51.196 38.191 -36.701 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -43.594 45.623 -33.958 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -42.923 44.928 -33.798 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -43.076 46.402 -34.189 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -51.024 30.555 -36.013 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -50.285 29.914 -36.071 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -51.179 30.822 -36.936 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -41.026 50.042 -32.217 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -41.041 49.425 -31.455 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -41.800 50.597 -32.085 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -49.710 43.787 -36.073 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -49.326 44.104 -35.226 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -48.941 43.756 -36.682 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -53.240 43.804 -31.747 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -52.807 43.852 -32.629 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -54.086 44.240 -31.875 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -38.122 44.776 -29.589 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -38.361 43.881 -29.912 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -37.738 44.612 -28.699 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -50.718 31.775 -38.526 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -49.929 31.905 -37.962 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -50.995 32.668 -38.754 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -51.195 40.351 -32.738 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -51.136 39.397 -32.914 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -50.321 40.700 -33.012 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -50.427 37.476 -38.137 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -49.456 37.479 -38.092 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -50.638 36.700 -38.684 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -48.119 39.359 -36.453 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -48.856 39.993 -36.544 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -47.560 39.743 -35.740 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -51.310 37.580 -33.349 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -52.252 37.555 -33.140 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -51.281 37.856 -34.301 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -47.670 36.948 -37.470 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -46.741 36.850 -37.765 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -47.738 37.899 -37.205 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -43.871 45.325 -31.134 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -44.033 45.577 -32.061 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -44.688 44.840 -30.872 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -48.006 40.778 -29.443 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -48.200 41.517 -30.054 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -48.891 40.455 -29.169 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -43.031 47.283 -26.510 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -43.923 47.636 -26.522 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -42.922 46.870 -27.393 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -45.208 41.911 -35.989 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -44.409 41.461 -36.310 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -45.647 41.241 -35.419 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -46.021 44.636 -34.668 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -45.146 45.051 -34.501 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -46.026 44.464 -35.625 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -44.958 36.393 -38.199 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -44.190 35.795 -38.057 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -44.626 37.051 -38.845 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -53.627 39.846 -42.340 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -53.849 40.058 -41.413 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -54.388 40.142 -42.838 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -48.004 34.143 -39.852 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -47.536 34.158 -38.991 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -47.362 33.765 -40.463 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -37.525 48.013 -39.101 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -37.034 48.827 -38.832 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -38.276 48.347 -39.593 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -46.208 43.918 -30.657 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -47.156 43.799 -30.486 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -46.032 43.325 -31.426 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -41.534 44.317 -32.607 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -41.053 45.164 -32.706 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -42.157 44.481 -31.879 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -48.859 42.807 -31.060 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -48.786 42.339 -31.915 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -49.811 42.742 -30.834 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -42.468 46.223 -28.978 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -43.037 45.893 -29.712 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -41.927 46.927 -29.397 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -49.132 37.493 -31.626 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -49.868 37.549 -32.273 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -48.379 37.962 -32.073 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -48.429 36.764 -34.672 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -48.000 37.402 -34.052 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -48.392 37.211 -35.530 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -48.879 41.546 -33.583 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -48.052 41.021 -33.742 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -48.611 42.475 -33.761 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -51.510 42.002 -30.614 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -51.543 41.383 -31.381 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -52.178 42.692 -30.836 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -45.837 35.043 -26.020 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -45.792 36.017 -25.959 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -46.711 34.873 -26.428 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -48.929 34.782 -32.206 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -48.828 35.745 -32.046 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -49.618 34.728 -32.902 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -49.399 37.647 -28.891 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -49.843 38.509 -28.796 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -49.292 37.538 -29.862 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -37.298 52.791 -37.505 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -37.504 52.309 -36.672 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -37.210 53.706 -37.231 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -40.379 46.787 -32.903 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -40.187 47.583 -33.432 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -39.494 46.503 -32.575 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -37.048 46.950 -26.465 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -37.431 46.894 -25.565 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -36.450 47.732 -26.423 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -35.863 40.722 -39.068 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -35.657 41.462 -38.474 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -36.432 41.122 -39.751 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -37.128 47.504 -35.170 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -36.823 46.915 -34.454 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -37.821 48.053 -34.750 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -40.893 47.965 -30.400 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -40.094 47.852 -29.844 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -40.693 47.465 -31.217 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -43.352 37.700 -40.068 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -43.359 36.799 -40.469 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -42.498 38.064 -40.325 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -43.202 35.062 -40.755 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -43.072 34.770 -39.828 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -43.291 34.243 -41.251 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -37.263 33.443 -26.549 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -38.186 33.541 -26.228 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -37.219 32.511 -26.867 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -42.970 34.504 -38.061 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -42.199 34.825 -37.540 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -43.103 33.583 -37.747 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -42.364 33.775 -28.761 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -42.356 33.497 -29.706 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -42.112 32.968 -28.271 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -48.476 32.126 -37.022 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -47.982 31.823 -36.233 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -48.664 33.074 -36.840 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -40.074 34.020 -32.091 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -39.885 33.261 -32.685 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -40.978 33.841 -31.763 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -40.980 35.178 -36.287 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -40.060 34.933 -36.124 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -41.492 34.607 -35.667 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -50.548 34.948 -39.414 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -51.080 34.904 -40.219 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -49.640 34.689 -39.709 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -48.882 33.724 -29.720 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -48.969 34.212 -30.570 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -49.466 32.948 -29.834 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -44.736 35.081 -28.601 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -45.022 35.145 -27.669 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -43.837 34.683 -28.552 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -45.932 38.833 -29.323 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -45.701 39.642 -28.826 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -46.757 39.067 -29.785 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -38.636 40.993 -15.253 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -39.415 40.426 -15.234 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -38.176 40.741 -16.086 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -45.657 39.624 -25.442 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -45.969 38.805 -25.886 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -45.682 40.298 -26.146 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -39.813 33.944 -25.646 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -39.605 34.458 -24.840 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -40.008 34.631 -26.328 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -35.457 49.177 -26.320 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.832 50.067 -26.521 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.633 49.139 -26.851 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -35.102 46.840 -13.341 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -35.586 47.462 -12.763 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -34.267 47.300 -13.534 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -46.441 37.533 -26.985 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -47.171 36.910 -27.185 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -46.210 37.914 -27.860 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -50.589 40.233 -28.717 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -51.127 40.334 -27.925 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -50.987 40.862 -29.362 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -44.922 39.057 -22.892 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -45.727 39.348 -22.458 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -45.076 39.262 -23.846 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -42.724 37.578 -22.380 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -43.431 38.250 -22.528 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -43.177 36.738 -22.485 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -35.559 38.616 -24.955 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -35.787 39.200 -25.715 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -34.915 37.978 -25.330 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -38.758 44.168 -11.810 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -39.588 44.486 -11.439 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -38.986 43.929 -12.740 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -38.069 48.083 -19.347 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -37.740 47.591 -20.125 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -37.530 47.741 -18.602 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -41.468 44.061 -27.506 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -41.748 44.885 -27.960 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -42.076 43.394 -27.836 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -36.059 51.810 -26.585 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -35.504 52.122 -27.323 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -36.004 52.527 -25.919 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -39.512 45.631 -19.370 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -39.152 45.108 -18.621 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -39.349 46.556 -19.116 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -44.196 32.955 -25.439 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -44.879 32.276 -25.371 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -44.702 33.792 -25.541 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -40.344 47.189 -25.831 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -40.049 47.465 -26.707 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -41.323 47.209 -25.893 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -45.926 41.182 -27.795 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -46.782 41.071 -28.274 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -45.624 42.058 -28.057 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -36.600 46.918 -17.340 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -36.929 46.332 -16.646 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -36.188 46.305 -17.997 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -40.174 44.218 -21.551 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -40.082 44.751 -20.726 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -41.054 44.432 -21.873 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -38.677 42.529 -19.865 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -39.167 43.066 -20.518 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -38.687 41.631 -20.242 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -38.330 43.908 -17.493 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -37.448 43.601 -17.207 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -38.538 43.339 -18.270 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -39.453 44.018 -25.573 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -39.957 43.649 -24.840 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -40.121 44.129 -26.291 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -36.703 42.791 -7.661 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -36.610 43.316 -6.842 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.014 42.108 -7.585 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -40.041 37.776 -22.294 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -39.917 37.327 -23.142 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -41.025 37.790 -22.174 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -38.636 35.139 -23.385 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -38.157 35.730 -24.018 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -38.544 35.583 -22.526 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -36.592 35.749 -27.803 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -36.861 34.858 -27.483 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -36.713 35.698 -28.777 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -41.769 32.197 -26.517 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -42.575 32.465 -26.022 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -41.044 32.700 -26.085 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.894 50.767 -23.997 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -35.159 50.226 -24.761 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -35.064 51.682 -24.284 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -38.094 50.766 -19.146 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -38.162 49.792 -19.298 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -38.637 50.919 -18.365 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -19.053 -13.004 24.211 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -19.749 -13.658 24.330 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -19.540 -12.176 23.979 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -16.999 -11.030 24.891 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -17.902 -11.384 24.867 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -16.448 -11.772 24.580 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -22.287 -2.656 25.665 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -23.088 -2.592 25.135 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -21.688 -3.212 25.129 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -21.289 -4.295 20.336 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -20.838 -3.425 20.333 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -22.078 -4.151 19.793 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -22.285 -8.659 24.230 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -22.852 -8.445 23.477 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -22.902 -8.915 24.928 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -20.492 -10.774 23.667 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -20.640 -10.833 22.693 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -21.034 -10.013 23.943 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -19.662 -6.939 18.928 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -19.744 -6.517 19.804 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -20.060 -6.305 18.322 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -21.192 -1.893 22.871 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -20.980 -1.946 21.918 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -20.989 -2.785 23.212 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -27.603 12.346 -0.033 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -27.869 12.819 0.786 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -27.981 11.467 0.068 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -24.330 12.570 8.046 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -23.722 12.935 7.354 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -24.948 12.024 7.551 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -22.851 13.880 6.244 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -21.884 13.705 6.178 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -22.973 14.716 5.760 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -23.721 16.593 2.266 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -23.491 16.547 1.318 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -24.490 15.983 2.356 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -24.980 11.290 12.472 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -25.066 11.695 13.365 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -25.662 10.613 12.455 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -20.446 15.879 4.026 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -20.468 14.911 4.078 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -19.616 16.120 4.483 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -20.141 13.732 6.143 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -19.389 14.316 5.928 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -19.956 13.435 7.058 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -20.855 13.537 0.302 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -19.921 13.365 0.083 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -20.861 14.469 0.600 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -25.636 16.327 6.844 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -25.060 16.112 6.094 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -25.236 15.842 7.601 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -24.272 15.168 8.931 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -23.323 15.415 8.895 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -24.278 14.207 8.723 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -28.435 14.166 1.880 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -28.585 14.672 1.059 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -28.625 14.812 2.594 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -25.985 15.259 2.971 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -26.749 15.837 3.155 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -26.386 14.433 2.667 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -23.008 16.371 4.944 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -23.453 16.409 4.067 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -22.055 16.290 4.719 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -22.238 16.262 -2.873 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -22.453 16.909 -3.579 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -22.287 15.404 -3.314 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -21.190 14.037 10.820 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -21.942 13.401 10.857 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -20.582 13.649 10.153 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -20.388 9.487 21.033 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -20.435 9.297 21.986 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -20.896 10.314 20.926 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -24.784 15.916 19.456 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -24.041 15.309 19.265 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -24.912 15.831 20.421 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -18.454 0.271 20.880 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -18.708 0.503 21.803 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -17.646 0.801 20.712 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -18.231 -0.287 25.783 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -19.067 -0.340 26.297 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -18.527 -0.057 24.871 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -21.883 -4.441 15.452 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -22.812 -4.203 15.351 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -21.705 -5.025 14.708 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -21.914 12.009 20.829 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -22.113 12.337 21.731 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -21.995 12.808 20.263 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -20.300 -1.727 20.304 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -20.793 -1.218 19.640 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -19.525 -1.161 20.506 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -25.390 12.433 14.939 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -25.917 13.224 14.691 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -24.645 12.794 15.436 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -20.363 11.783 18.018 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -20.929 11.136 18.448 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -20.985 12.393 17.575 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -23.489 10.469 23.249 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -23.314 11.400 23.477 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -24.031 10.523 22.433 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -20.017 4.572 20.533 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -20.939 4.583 20.821 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -19.818 5.520 20.329 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -21.600 15.987 8.951 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -20.681 16.181 8.682 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -21.498 15.435 9.757 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -20.292 11.949 24.928 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -20.878 12.108 24.176 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -19.543 11.451 24.549 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -26.361 17.469 12.928 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -25.919 18.144 13.478 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -27.207 17.894 12.669 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -23.328 14.461 14.833 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -23.668 14.159 13.981 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -23.669 15.378 14.913 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -26.254 14.797 13.852 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -25.735 14.662 13.033 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -26.512 15.736 13.814 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -22.050 14.699 25.335 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -22.201 15.624 25.619 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -22.162 14.174 26.163 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -19.374 7.174 19.823 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -19.773 8.006 20.168 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -18.703 7.479 19.188 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -21.489 5.680 24.994 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -21.991 6.277 24.411 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -21.767 5.946 25.899 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -15.688 12.104 12.855 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -16.565 11.742 13.039 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -15.852 12.815 12.213 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -24.516 11.048 20.767 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -23.593 11.316 20.591 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -25.009 11.386 20.014 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -18.959 18.950 8.490 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -19.600 19.497 9.004 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -18.082 19.322 8.732 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -20.259 2.768 24.286 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -19.535 2.967 23.655 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -20.629 3.638 24.507 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -22.428 14.362 19.447 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -22.091 15.222 19.787 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -22.096 14.320 18.519 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -23.347 12.403 10.631 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -23.712 12.215 9.741 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -23.877 11.831 11.236 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -19.729 15.337 12.781 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -19.004 15.619 12.191 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -20.359 14.881 12.183 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -26.388 18.091 8.817 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -27.293 18.376 8.619 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -26.134 17.547 8.042 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -23.005 -0.960 16.411 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -22.058 -0.753 16.265 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -23.471 -0.374 15.807 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -20.215 8.626 23.868 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -21.177 8.455 23.978 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -19.793 8.027 24.518 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -20.777 15.904 23.186 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -19.855 16.131 23.416 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -21.105 15.414 23.968 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -18.110 4.614 27.011 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -18.302 4.357 27.916 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -17.746 3.801 26.603 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -14.213 2.330 30.690 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -14.282 3.224 31.039 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -13.755 2.443 29.825 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -22.863 -2.504 18.639 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -23.567 -2.199 19.223 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -23.015 -2.005 17.800 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -19.504 0.205 23.468 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -20.250 -0.423 23.343 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -19.938 1.045 23.742 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -19.423 -2.713 28.203 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -20.011 -3.047 28.888 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -19.939 -1.998 27.768 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -20.733 -0.761 26.796 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -21.339 -1.424 26.374 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -21.251 0.054 26.812 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -22.375 17.282 17.082 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -21.583 16.710 16.965 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -22.974 17.015 16.356 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -20.391 -4.131 24.260 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -19.600 -3.815 24.742 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -20.350 -5.110 24.346 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -26.059 16.457 17.065 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -25.625 16.219 17.913 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -26.996 16.469 17.275 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -24.064 15.526 22.156 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -24.305 16.095 22.917 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -23.257 15.942 21.791 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -20.448 -3.200 17.418 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -20.840 -3.706 16.670 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -21.216 -2.991 17.990 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -18.918 -9.522 19.591 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -18.130 -9.761 19.060 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -19.220 -8.669 19.201 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -24.626 14.621 11.663 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -24.637 15.004 10.765 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -24.172 13.765 11.545 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -21.667 13.917 16.889 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -22.327 14.068 16.174 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -20.796 14.006 16.430 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -22.891 8.022 24.223 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -23.087 8.903 23.816 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -23.656 7.849 24.782 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -37.247 30.781 -27.027 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -37.053 30.624 -26.074 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -37.117 29.925 -27.438 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -36.559 37.759 -31.790 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -37.249 37.469 -32.415 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -36.553 37.060 -31.108 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -32.536 34.642 -32.691 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -32.475 35.121 -33.539 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -33.488 34.646 -32.483 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -35.424 34.775 -32.770 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -35.706 34.051 -33.341 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -35.404 35.559 -33.367 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -23.822 29.658 -12.003 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -24.188 30.368 -12.551 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -23.709 30.072 -11.115 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -22.891 24.710 -11.337 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -23.348 25.164 -12.075 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -23.309 23.821 -11.309 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -22.475 32.016 -13.933 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -22.565 32.736 -14.589 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -22.784 31.212 -14.414 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -23.109 21.619 -14.123 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -23.401 21.267 -14.970 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -22.175 21.815 -14.253 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -26.283 23.694 -12.492 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -27.166 23.509 -12.829 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -26.436 23.982 -11.560 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -21.898 27.842 -12.636 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -22.066 27.454 -13.516 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -22.562 28.562 -12.563 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -26.425 31.963 -10.624 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -25.613 32.307 -11.044 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -27.024 32.744 -10.584 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -19.638 24.211 -9.000 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -20.527 24.604 -8.856 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -19.587 23.486 -8.341 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -24.072 22.206 -11.609 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -23.714 21.891 -12.468 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -24.934 22.604 -11.845 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -26.346 20.360 -6.480 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -26.671 20.928 -5.759 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -26.773 19.507 -6.320 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -26.674 24.032 -9.830 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -27.508 24.277 -9.377 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -26.492 23.111 -9.517 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -24.518 25.576 -13.428 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -25.094 24.797 -13.279 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -25.021 26.324 -13.018 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -27.282 29.384 -10.712 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -28.237 29.522 -10.692 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -26.907 30.296 -10.705 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -26.176 21.527 -8.985 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -25.481 21.021 -9.423 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -26.270 21.100 -8.109 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -25.734 27.696 -12.313 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -24.992 28.319 -12.193 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -26.474 28.119 -11.840 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -24.719 24.982 -7.965 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -25.366 25.605 -7.596 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -25.179 24.592 -8.733 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -22.553 20.384 -9.348 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -22.934 20.944 -10.048 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -21.581 20.458 -9.484 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -22.788 34.483 -15.424 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -22.826 34.952 -14.574 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -21.846 34.556 -15.696 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -30.144 30.738 -8.331 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -31.102 30.670 -8.393 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -29.836 29.802 -8.322 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -29.283 28.160 -8.220 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -29.568 27.606 -7.463 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -28.378 27.869 -8.397 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -21.891 17.790 -8.389 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -22.711 17.278 -8.181 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -22.226 18.637 -8.747 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -21.505 23.182 -5.475 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -21.956 22.426 -5.032 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -20.873 22.755 -6.089 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -29.464 23.237 -6.137 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -30.119 23.051 -5.435 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -28.695 22.695 -5.890 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -24.206 16.531 -7.695 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -24.629 16.670 -6.820 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -24.717 15.820 -8.094 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -29.445 36.308 -25.755 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -29.811 35.401 -25.860 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -29.029 36.497 -26.620 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -20.106 34.508 -16.192 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -19.510 35.249 -15.944 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -19.658 33.708 -15.824 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -23.868 32.875 -11.710 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -23.333 32.521 -12.454 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -23.758 33.845 -11.782 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -23.016 27.095 -15.088 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -22.864 26.551 -15.868 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -23.604 26.540 -14.519 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -22.111 25.349 -8.759 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -22.980 25.243 -8.310 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -22.327 25.252 -9.713 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -19.231 17.591 -9.088 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -20.198 17.467 -8.966 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -18.836 17.218 -8.269 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -24.488 31.841 -7.170 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -25.118 32.071 -6.457 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -24.250 30.905 -6.985 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -23.531 31.013 -9.655 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -23.938 31.319 -8.821 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -23.538 31.806 -10.229 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -28.707 36.421 -11.389 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -29.205 36.541 -12.207 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -29.355 36.648 -10.676 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -27.894 34.146 -10.111 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -28.384 34.196 -9.280 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -28.213 34.919 -10.626 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -25.907 36.582 -11.642 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -25.537 36.619 -10.732 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -26.875 36.657 -11.508 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -36.674 30.509 -24.384 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.880 31.352 -23.925 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.457 29.900 -23.674 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -27.868 25.468 -0.252 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -27.663 25.067 -1.123 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -27.464 24.847 0.399 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -23.655 19.550 0.162 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -23.551 20.019 -0.668 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -23.687 18.602 -0.099 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -26.717 23.696 1.462 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -26.436 23.759 2.396 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -26.756 22.748 1.292 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -32.634 25.903 4.054 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -32.262 25.716 4.946 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -33.584 25.905 4.191 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -31.612 25.365 6.502 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -30.805 24.851 6.292 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -31.291 26.076 7.094 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -27.689 31.177 -0.452 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -26.835 30.725 -0.655 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -28.010 30.730 0.360 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -36.522 33.328 1.162 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -36.442 32.418 1.446 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -35.759 33.465 0.572 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -31.166 26.738 1.973 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -31.425 27.651 2.139 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -31.622 26.228 2.685 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.425 32.031 9.861 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.497 31.643 10.768 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -29.721 32.939 9.972 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -26.498 29.690 -4.506 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -26.565 30.563 -4.939 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -27.255 29.684 -3.871 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -22.760 18.105 -4.900 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -23.133 18.739 -5.554 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -21.828 17.980 -5.197 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -28.229 31.320 4.378 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -27.304 31.012 4.522 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -28.589 31.400 5.273 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -34.547 33.728 -0.722 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -35.070 33.793 -1.531 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -34.005 32.909 -0.851 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -26.554 32.286 -5.416 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -27.061 32.972 -4.964 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -27.020 32.176 -6.287 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -28.509 16.481 3.383 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -29.125 17.169 3.048 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -28.172 16.860 4.224 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -27.911 21.754 -4.282 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -28.849 21.863 -4.023 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -27.612 20.964 -3.768 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -31.481 20.731 4.161 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -32.320 20.953 3.752 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -31.509 21.186 5.024 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -24.573 19.190 2.694 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -24.325 18.242 2.690 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -24.313 19.506 1.802 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -27.970 17.780 -0.917 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -28.374 16.889 -0.812 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -28.108 18.204 -0.059 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -23.940 32.410 6.787 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -23.626 31.807 6.088 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -23.215 32.413 7.444 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -27.130 19.786 3.479 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -26.220 19.679 3.121 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -27.229 19.028 4.097 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -27.987 21.961 4.837 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -27.853 21.157 4.286 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -27.346 22.602 4.476 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -27.739 24.294 -2.856 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -27.637 23.459 -3.348 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -28.550 24.686 -3.217 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -23.575 20.030 -6.692 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -24.546 20.142 -6.766 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -23.236 20.267 -7.582 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -29.406 23.772 6.295 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -29.024 23.106 5.678 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -28.614 24.179 6.721 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -33.694 29.427 -3.039 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -34.068 28.551 -3.171 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -33.074 29.539 -3.781 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -30.577 25.364 -3.255 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -30.979 26.166 -3.636 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -30.595 25.529 -2.283 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -28.831 30.125 1.849 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -28.635 30.448 2.753 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -28.593 29.167 1.878 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -30.560 28.618 -1.587 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -30.787 29.288 -0.909 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -30.505 27.777 -1.087 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -23.082 30.659 4.820 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -22.276 30.128 4.983 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -22.920 31.079 3.965 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -25.470 28.144 -8.968 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -26.017 28.534 -9.679 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -26.059 27.489 -8.547 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -29.684 26.617 -5.987 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -29.841 25.724 -5.647 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -30.145 27.204 -5.344 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -28.505 15.109 -0.769 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -27.600 14.758 -0.903 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -29.079 14.439 -1.163 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -22.649 21.030 -4.299 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -23.082 20.729 -5.126 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -22.211 20.239 -3.962 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -24.167 29.166 -6.861 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -24.505 28.779 -7.704 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -24.837 28.928 -6.208 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -27.198 19.481 -2.966 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -27.606 19.014 -2.205 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -26.485 18.893 -3.246 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -31.075 28.082 -4.181 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -31.221 28.979 -4.545 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -30.916 28.240 -3.220 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -20.745 29.509 2.211 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -20.938 29.458 1.246 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -19.770 29.608 2.254 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -28.618 30.145 -2.848 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -29.298 29.540 -2.493 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -28.310 30.642 -2.062 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -22.537 25.448 7.773 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -21.599 25.224 7.849 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -22.537 26.421 7.580 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -27.058 26.522 -7.387 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -27.603 25.785 -7.743 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -27.572 26.846 -6.629 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -29.849 27.004 7.859 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -29.952 27.764 8.484 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -29.217 27.326 7.206 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -30.541 22.651 -3.675 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -30.666 23.609 -3.484 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -31.148 22.207 -3.070 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -29.633 24.484 9.098 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -29.843 23.942 8.324 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -29.685 25.406 8.765 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -28.886 24.696 -8.359 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -29.113 24.097 -7.608 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -29.738 25.043 -8.651 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -31.797 22.433 6.356 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.936 22.887 6.249 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -32.422 23.153 6.532 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -29.743 18.928 2.898 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -30.404 19.493 3.354 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -28.910 19.423 2.979 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -28.478 27.432 1.710 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -28.123 26.870 0.995 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -29.359 27.056 1.893 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -28.236 19.982 6.842 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -28.979 20.269 7.412 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -28.132 20.713 6.202 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -27.365 17.862 5.402 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -26.784 17.299 5.957 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -27.709 18.544 6.026 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -27.853 22.102 9.516 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -27.972 23.058 9.400 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -28.611 21.708 9.032 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -31.759 30.777 -4.656 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -32.025 31.378 -3.943 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -31.108 31.281 -5.161 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -20.664 29.325 4.945 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -20.650 29.503 3.978 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -19.907 28.695 5.080 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -19.295 20.318 -5.211 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -19.687 19.453 -5.459 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -18.495 20.085 -4.720 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -23.820 16.953 -0.711 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -23.118 16.632 -1.317 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -24.642 16.835 -1.220 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -20.366 17.958 -6.105 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -20.838 17.904 -6.965 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -19.565 17.401 -6.236 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -27.749 31.718 7.687 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -27.024 31.183 8.081 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -28.385 31.833 8.423 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -25.807 30.447 5.360 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -25.780 30.666 6.304 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -24.869 30.434 5.091 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -22.960 17.758 7.340 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -23.057 17.292 6.483 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -22.483 17.115 7.909 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -30.926 30.796 0.147 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -30.837 31.766 0.101 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -30.210 30.521 0.762 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -27.720 33.813 0.284 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -27.661 32.914 -0.111 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -27.964 33.645 1.217 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -23.748 28.069 0.126 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -22.897 28.459 -0.199 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -23.640 28.035 1.097 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -33.248 31.453 -1.297 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -33.514 30.693 -1.864 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -32.508 31.103 -0.762 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -30.501 26.027 -0.570 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -30.885 26.135 0.329 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -29.568 25.766 -0.400 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -25.884 14.131 -1.225 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -24.970 13.956 -0.892 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -26.395 13.348 -0.929 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -26.013 16.561 -2.479 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -25.969 15.626 -2.171 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -26.734 16.955 -1.944 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -23.550 13.156 -0.125 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -22.593 13.366 -0.031 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -23.635 12.283 0.266 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -25.221 16.921 -5.149 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -25.589 16.664 -4.279 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -24.352 17.312 -4.933 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -22.360 28.056 7.237 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -22.592 28.686 7.959 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -21.762 28.561 6.668 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -26.216 25.133 15.380 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -25.975 26.032 15.090 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -27.001 25.268 15.955 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -25.927 22.038 23.995 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -26.885 22.056 24.053 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -25.676 22.979 23.894 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -23.185 26.846 17.193 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -23.577 25.955 17.332 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -23.203 27.253 18.089 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -25.851 19.882 20.488 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -25.225 19.522 19.826 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -25.692 20.850 20.471 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -26.719 24.739 19.228 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -26.935 23.913 19.690 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -27.451 24.857 18.583 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -20.250 19.344 23.205 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -21.090 19.154 22.731 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -20.055 20.280 22.980 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -29.041 27.976 17.633 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -29.463 28.773 17.963 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -28.521 28.282 16.856 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -24.234 18.555 18.639 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -23.465 18.291 18.089 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -24.550 17.708 19.018 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -22.596 19.094 21.856 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -23.452 19.270 22.301 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -22.424 19.912 21.335 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -24.935 27.754 15.274 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -24.307 27.499 15.990 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -24.668 28.679 15.039 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -24.352 26.965 12.729 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -23.540 26.451 12.904 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -24.644 27.257 13.617 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -28.415 25.400 17.090 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -28.670 26.272 17.477 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -28.944 25.344 16.271 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -25.189 22.539 20.744 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -24.707 22.913 21.495 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -24.540 22.557 20.010 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -25.048 19.602 23.033 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -25.264 20.471 23.443 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -25.491 19.638 22.150 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -27.625 28.456 15.384 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -26.672 28.242 15.447 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -27.696 28.977 14.552 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -22.877 29.891 9.204 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -22.810 29.903 10.182 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -22.417 30.713 8.925 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -27.649 29.312 12.796 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -26.848 29.596 12.308 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -27.665 28.336 12.671 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -24.823 17.202 24.239 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -25.704 17.009 24.577 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -24.917 18.089 23.814 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -25.883 20.342 10.376 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -26.532 20.937 9.946 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -26.003 19.487 9.919 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -27.342 22.914 14.068 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -26.970 23.701 14.510 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -26.562 22.390 13.819 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -24.606 24.549 17.513 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -25.122 24.599 16.681 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -25.281 24.667 18.220 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -30.186 21.258 8.310 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -30.648 21.141 9.177 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -30.905 21.487 7.688 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -25.609 20.284 16.948 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -26.098 20.827 17.572 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -25.152 19.621 17.511 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -31.670 26.995 13.472 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -30.806 26.672 13.806 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -32.287 26.784 14.175 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -25.414 24.746 23.551 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -25.839 25.399 24.118 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -25.375 25.187 22.663 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -29.264 26.299 14.577 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -28.767 26.053 13.774 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -28.821 27.115 14.889 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -25.308 26.058 21.190 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -24.687 26.625 20.697 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -25.864 25.651 20.492 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -18.301 28.501 8.515 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -18.882 29.217 8.183 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -18.389 27.791 7.840 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -29.936 29.253 9.377 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -30.477 29.118 10.182 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -29.711 30.201 9.398 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -31.634 28.902 11.540 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -32.585 29.017 11.443 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -31.545 28.139 12.161 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -25.322 21.572 12.694 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -25.482 20.905 11.979 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -25.454 22.435 12.240 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -27.227 26.632 12.615 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -27.742 25.933 12.144 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -26.300 26.407 12.435 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -28.517 19.143 12.855 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -28.676 19.996 12.407 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -28.749 19.311 13.772 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -25.121 19.475 14.412 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -25.192 20.270 13.841 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -25.304 19.817 15.323 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -22.488 17.414 25.669 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -23.348 17.311 25.202 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -21.970 17.988 25.086 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -23.538 22.282 18.607 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -23.201 21.716 17.877 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -23.792 23.119 18.160 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -25.627 30.325 8.818 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -25.818 29.956 9.700 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -24.656 30.279 8.750 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -25.269 29.254 11.447 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -24.448 29.770 11.552 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -25.028 28.359 11.764 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -29.823 30.858 12.258 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -29.038 30.361 12.577 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -30.509 30.171 12.144 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -28.911 24.761 11.683 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -29.175 23.923 12.084 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -29.280 24.718 10.772 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -28.849 21.808 12.071 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -28.293 21.949 11.273 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -28.334 22.226 12.802 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -23.324 27.583 19.831 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -22.752 26.958 20.343 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -23.158 28.439 20.238 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -21.534 22.441 25.076 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -21.234 21.546 25.369 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -21.450 22.985 25.866 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -21.857 21.387 20.545 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -22.534 21.719 19.916 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -21.004 21.546 20.080 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -22.369 13.349 27.661 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -21.634 12.693 27.708 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -22.880 13.187 28.455 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -20.961 17.897 27.921 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -21.390 17.624 28.735 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -21.640 17.750 27.228 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -24.138 30.177 14.357 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -23.525 30.064 13.608 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -24.411 31.104 14.297 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -22.771 13.209 23.187 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -22.504 13.679 24.012 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -23.315 13.869 22.706 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -24.270 17.008 15.104 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -24.526 17.933 14.893 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -24.978 16.702 15.727 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -31.227 21.160 10.804 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -31.930 21.122 11.457 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -30.433 21.418 11.319 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -22.793 30.419 11.917 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -21.874 30.229 12.230 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -22.935 31.368 12.150 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -27.974 43.283 -30.663 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -27.422 42.668 -30.132 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -28.641 42.703 -31.081 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -35.779 45.891 -33.297 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -35.183 45.243 -33.695 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -35.217 46.696 -33.177 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -39.718 37.658 -37.057 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -38.953 37.432 -36.478 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -40.353 36.937 -36.901 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -37.476 42.730 -40.385 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -38.249 42.663 -39.772 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -37.865 42.995 -41.225 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -30.743 46.187 -33.376 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -29.951 46.730 -33.477 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -31.084 46.424 -32.471 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -32.348 38.536 -36.607 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -31.668 39.232 -36.723 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -32.875 38.572 -37.439 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -31.673 42.820 -35.842 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -31.252 42.005 -36.196 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -32.181 43.175 -36.604 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -33.856 38.446 -31.883 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -33.843 38.689 -32.835 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -34.777 38.161 -31.725 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -33.967 39.210 -34.479 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -33.827 40.167 -34.283 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -33.380 39.036 -35.246 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -24.117 41.677 -31.742 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -23.733 42.551 -31.511 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -24.754 41.874 -32.435 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -33.281 41.776 -33.895 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -32.836 42.101 -33.101 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -32.804 42.210 -34.630 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -32.581 47.351 -35.005 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -31.983 46.744 -34.513 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -32.957 46.792 -35.727 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -30.918 43.477 -33.263 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -31.088 43.275 -34.209 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -30.814 44.453 -33.243 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -27.296 51.073 -33.519 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -27.069 51.753 -34.157 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -27.646 50.337 -34.071 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -33.962 38.691 -38.794 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -34.424 37.946 -39.186 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -34.581 39.444 -38.906 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -37.975 46.325 -31.806 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -37.947 45.750 -31.008 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -37.183 46.056 -32.325 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -23.193 44.211 -28.306 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.346 44.089 -29.270 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -23.502 45.121 -28.129 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -35.063 36.698 -34.659 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -34.181 36.361 -34.921 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -34.919 37.664 -34.541 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -29.889 34.292 -28.833 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -30.033 34.296 -29.801 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -29.333 35.079 -28.672 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -24.268 39.837 -29.782 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -24.193 40.411 -30.584 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -23.442 39.982 -29.310 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -29.910 41.486 -31.762 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -30.740 41.110 -31.371 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -30.227 42.257 -32.295 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -33.100 43.595 -38.066 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -32.790 43.414 -38.960 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -34.079 43.466 -38.120 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -38.602 39.849 -38.352 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -39.002 39.051 -37.942 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -37.653 39.657 -38.374 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -28.217 39.722 -30.501 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -28.854 40.306 -30.959 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -28.288 38.873 -30.973 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -39.481 42.381 -38.621 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -40.236 42.497 -38.039 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -39.201 41.445 -38.471 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -30.426 40.488 -36.600 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -29.611 40.360 -37.095 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -30.176 40.273 -35.663 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -29.760 39.843 -34.085 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -30.082 38.986 -33.732 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -29.673 40.408 -33.296 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -29.484 47.693 -29.490 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -30.167 47.425 -30.151 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -28.950 46.882 -29.356 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -29.046 50.351 -28.999 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -28.520 50.744 -29.729 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -29.179 49.419 -29.277 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -35.771 43.576 -38.393 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -36.367 43.380 -39.149 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -36.132 44.408 -38.015 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -25.911 44.955 -31.508 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -26.065 45.756 -30.991 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -26.703 44.404 -31.340 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -34.354 48.181 -33.096 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -33.877 48.220 -32.231 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -33.637 48.105 -33.763 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -28.332 37.018 -31.466 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -27.383 37.146 -31.221 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -28.436 36.054 -31.520 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -30.718 37.504 -32.914 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -31.399 37.559 -32.225 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -29.910 37.228 -32.431 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -37.714 36.839 -35.389 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -36.744 36.788 -35.262 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -38.084 36.604 -34.511 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -38.750 47.316 -28.689 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -38.174 47.310 -27.895 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -38.690 46.400 -29.031 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -24.188 47.203 -29.936 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -24.117 47.055 -28.973 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -24.829 47.953 -30.012 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -22.021 46.640 -31.418 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -22.125 47.124 -32.245 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -22.805 46.915 -30.876 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -32.285 40.489 -30.973 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -32.991 41.128 -30.747 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -32.775 39.673 -31.221 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -26.528 41.351 -29.173 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -25.665 40.901 -29.264 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -27.172 40.708 -29.554 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -23.363 44.214 -31.068 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -22.795 44.968 -31.315 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -24.278 44.522 -31.279 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -30.037 34.360 -31.607 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -30.958 34.542 -31.910 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -29.816 33.522 -32.023 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -25.904 37.590 -30.332 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -25.402 38.426 -30.245 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -25.661 37.084 -29.532 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -25.592 36.135 -28.016 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -25.416 36.493 -27.112 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -25.164 35.271 -28.014 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -28.310 36.543 -28.356 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -28.365 37.158 -29.105 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -27.347 36.406 -28.230 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -30.656 33.901 -26.222 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -30.599 32.957 -25.954 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -30.493 33.887 -27.195 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -38.866 49.109 -33.652 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -38.032 49.481 -33.287 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -39.576 49.595 -33.173 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -20.010 45.789 -29.776 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -19.185 45.959 -30.245 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -20.712 46.017 -30.431 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -32.330 36.384 -34.898 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -32.302 37.028 -35.640 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -31.690 36.747 -34.249 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -36.984 35.303 -30.536 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -36.344 35.054 -31.240 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -37.830 34.952 -30.852 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -25.941 49.176 -29.579 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -26.327 49.129 -28.685 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -26.420 49.912 -30.010 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -36.322 50.081 -33.200 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -36.033 50.533 -32.393 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -35.623 49.407 -33.357 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -30.935 49.481 -34.982 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -30.861 49.552 -34.000 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -31.545 48.723 -35.120 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -28.260 49.452 -35.483 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -28.179 48.878 -36.248 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -29.230 49.550 -35.356 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -27.224 51.280 -30.816 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -27.329 51.089 -31.781 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -26.762 52.122 -30.794 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -37.698 51.395 -35.206 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -37.031 51.105 -34.552 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -38.405 50.745 -35.122 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -33.809 46.055 -37.000 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -34.761 46.071 -37.237 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -33.475 45.229 -37.405 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -31.104 49.405 -32.295 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -31.647 50.127 -31.929 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -31.360 48.620 -31.763 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -35.204 34.019 -24.821 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -35.643 33.485 -24.127 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -35.773 33.881 -25.614 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -32.449 33.829 -24.055 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -33.370 33.878 -24.374 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -31.912 34.102 -24.830 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -36.348 44.202 -13.268 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -35.875 45.059 -13.229 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -37.131 44.338 -12.702 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -38.846 40.152 -21.479 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -38.727 40.558 -22.346 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -39.385 39.350 -21.662 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -36.970 38.864 -19.921 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -37.613 39.451 -20.374 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -36.250 38.750 -20.578 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -23.459 35.494 -12.602 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -24.237 35.995 -12.273 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -22.712 36.120 -12.494 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -35.192 38.364 -22.050 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -35.311 38.664 -22.975 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -35.050 37.395 -22.133 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -35.923 42.530 -17.090 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -36.444 41.703 -17.194 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -35.400 42.587 -17.924 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -24.656 38.221 -22.270 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -23.989 37.955 -21.604 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -25.054 37.376 -22.559 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -33.637 40.119 -20.454 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -33.205 39.474 -19.880 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -34.179 39.572 -21.062 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -38.386 46.218 -24.132 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -39.126 46.763 -24.481 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -38.579 45.324 -24.468 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -29.552 51.215 -17.461 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -28.712 50.916 -17.866 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -29.763 52.048 -17.943 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -21.488 37.409 -12.054 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -21.695 37.566 -11.123 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -21.077 38.253 -12.354 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -31.004 31.581 -24.756 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -31.566 32.240 -24.305 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -31.047 30.806 -24.193 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -23.174 45.804 -24.707 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -23.177 46.211 -23.828 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -22.230 45.599 -24.871 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -39.271 43.566 -14.432 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -39.248 44.064 -15.261 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -39.072 42.646 -14.704 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -35.357 49.410 -17.207 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -35.863 48.571 -17.155 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -35.225 49.671 -16.268 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -18.624 47.046 -12.717 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -18.462 47.417 -13.595 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -19.562 47.271 -12.532 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -30.084 49.266 -24.891 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -29.891 48.476 -24.348 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -30.474 48.898 -25.716 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -26.604 50.820 -25.610 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -26.431 50.000 -26.123 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -27.427 51.174 -25.998 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -27.634 50.281 -19.259 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -28.115 49.655 -19.813 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -27.316 50.967 -19.892 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -30.652 37.018 -9.597 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -30.960 37.921 -9.813 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -31.199 36.759 -8.829 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -26.660 43.579 -27.529 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -26.606 42.734 -28.025 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -25.932 43.519 -26.875 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -32.543 40.407 -14.711 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -32.586 40.070 -13.787 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -32.480 39.596 -15.255 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -31.896 40.804 -22.579 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -31.475 39.925 -22.621 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -32.483 40.747 -21.804 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -35.195 39.348 -15.711 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -35.161 39.696 -14.810 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -34.370 38.824 -15.799 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -37.501 36.696 -25.247 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -36.878 37.435 -25.093 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -37.339 36.439 -26.177 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -28.107 40.545 -18.534 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -28.140 39.873 -19.226 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -28.216 40.030 -17.691 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -38.219 36.481 -20.709 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -39.005 36.925 -21.093 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -37.760 37.198 -20.222 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -31.123 37.996 -22.616 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -31.499 37.865 -23.519 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -31.459 37.231 -22.111 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -25.411 48.629 -10.785 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -24.906 48.565 -9.940 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -24.870 49.228 -11.339 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -24.549 40.313 -18.981 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -23.580 40.201 -19.086 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -24.855 39.439 -18.637 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -32.069 37.188 -25.016 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -31.276 36.949 -25.529 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -32.817 36.912 -25.584 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -29.835 42.568 -17.734 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -29.365 41.811 -18.140 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -29.224 42.891 -17.054 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -27.107 39.163 -24.250 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -27.549 38.454 -23.734 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -26.970 38.770 -25.121 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -34.395 42.583 -19.339 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -34.250 41.689 -19.718 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -33.575 43.073 -19.569 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -36.351 41.486 -13.749 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -36.459 42.444 -13.548 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -37.178 41.245 -14.218 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -24.429 43.543 -25.942 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -23.912 43.567 -26.773 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -24.053 44.265 -25.407 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -25.760 50.227 -23.110 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -26.045 50.511 -24.012 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -25.284 49.406 -23.262 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -28.231 45.318 -28.800 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -27.619 44.792 -28.226 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -28.377 44.738 -29.574 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -23.768 49.912 -12.607 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -23.649 50.859 -12.730 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -24.342 49.643 -13.358 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -20.604 49.813 -28.610 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -20.028 50.465 -28.197 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -21.069 50.306 -29.295 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -37.628 51.069 -11.701 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -37.937 50.990 -10.792 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -37.185 50.207 -11.878 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -32.180 35.510 -21.811 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -33.139 35.681 -21.920 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -31.977 34.857 -22.513 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -30.887 48.880 -21.539 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -30.402 49.618 -21.935 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -30.837 49.050 -20.571 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -30.465 35.779 -19.634 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -29.651 35.852 -20.141 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -31.154 35.608 -20.310 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -34.452 36.371 -26.199 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -34.620 35.555 -25.692 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -35.071 36.310 -26.958 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -25.664 49.520 -17.481 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -24.887 49.752 -18.019 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -26.427 49.790 -18.035 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -35.978 48.838 -11.577 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -36.144 48.248 -10.802 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -35.182 49.347 -11.321 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -33.002 46.196 -8.485 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -32.145 46.095 -8.917 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -33.185 47.165 -8.538 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -30.924 48.178 -27.210 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -30.491 48.133 -28.093 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -31.825 48.524 -27.403 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -36.897 44.609 -9.708 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -36.946 43.914 -9.013 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -37.553 44.326 -10.377 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -29.866 46.583 -24.083 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -30.597 46.014 -24.407 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -29.223 46.587 -24.824 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -31.436 39.685 -9.890 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -30.721 40.333 -9.962 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -31.932 39.966 -9.107 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -21.051 47.279 -27.706 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -20.884 48.212 -27.979 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -20.644 46.746 -28.422 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -32.827 37.906 -15.761 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -32.105 37.649 -16.388 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -32.834 37.196 -15.109 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -30.732 37.015 -17.222 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -29.787 37.034 -16.977 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -30.739 36.588 -18.109 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -32.926 39.170 -12.276 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -32.377 39.320 -11.484 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -33.836 39.382 -11.978 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -27.695 31.916 -7.824 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -27.233 31.805 -8.670 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -28.599 31.570 -7.996 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -32.581 36.468 -7.605 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -32.921 35.568 -7.575 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -33.356 37.009 -7.896 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -30.825 53.378 -27.300 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -31.072 53.293 -28.244 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -30.121 52.700 -27.172 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -37.189 44.258 -27.091 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -37.950 44.032 -26.511 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -36.972 45.184 -26.847 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -37.520 46.186 -21.428 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -37.742 46.247 -22.383 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -38.293 45.744 -21.033 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -35.774 45.289 -19.357 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -35.407 44.398 -19.490 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -36.246 45.481 -20.190 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -23.015 49.930 -18.412 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -22.168 50.313 -18.078 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -23.430 50.667 -18.917 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -21.299 47.934 -12.529 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -21.973 47.236 -12.358 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -21.746 48.755 -12.269 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -23.113 48.546 -15.984 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -23.935 48.695 -15.476 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -23.255 49.041 -16.819 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -23.716 46.756 -27.250 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -22.791 47.059 -27.395 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -23.726 46.467 -26.312 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -20.535 43.774 -27.900 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -21.510 43.750 -28.034 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -20.209 44.327 -28.640 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -37.133 40.094 -17.388 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -37.077 39.613 -18.240 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -36.406 39.702 -16.842 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -25.167 36.936 -25.422 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -24.676 37.675 -25.040 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -25.451 36.411 -24.642 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -25.732 35.816 -22.942 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -26.679 35.789 -22.720 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -25.300 35.283 -22.237 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -19.571 41.206 -20.517 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -19.607 42.104 -20.142 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -19.123 41.327 -21.393 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -36.597 34.328 -20.748 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -37.252 35.065 -20.689 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -36.408 34.106 -19.829 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -24.667 51.881 -19.484 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -25.330 51.876 -20.206 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -24.830 52.708 -19.021 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -33.645 42.354 -12.178 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -34.083 41.579 -11.781 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -33.773 43.068 -11.512 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -32.855 48.765 -14.003 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -33.575 49.362 -14.304 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -32.124 48.931 -14.641 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -29.842 50.368 -10.000 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -29.131 49.756 -10.290 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -30.530 50.280 -10.700 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -38.108 53.336 -13.208 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -39.031 53.600 -13.191 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -38.088 52.496 -12.704 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -35.814 54.108 -14.452 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -36.670 53.971 -13.986 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -36.081 54.389 -15.358 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -30.910 54.009 -14.394 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -31.704 54.393 -14.828 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -30.740 54.597 -13.652 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -30.578 49.535 -15.489 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -29.776 49.369 -14.961 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -30.282 50.170 -16.174 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -25.527 49.311 -14.743 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -26.432 49.300 -14.367 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -25.672 49.467 -15.704 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -34.677 50.578 -14.839 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -34.087 51.216 -15.301 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -34.926 51.041 -14.010 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -28.112 36.319 -16.683 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -28.489 35.435 -16.771 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -27.145 36.170 -16.715 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -25.449 35.584 -16.517 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -25.743 35.401 -15.595 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -24.568 35.181 -16.562 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -22.860 37.409 -20.285 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -22.488 36.562 -19.968 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -22.080 37.900 -20.623 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -37.013 32.915 -23.055 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -37.742 33.494 -23.369 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -36.864 33.206 -22.131 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -25.940 34.919 -13.896 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -26.191 35.552 -13.197 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -25.080 34.580 -13.608 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -24.052 34.479 -21.079 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -23.874 33.575 -21.349 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -23.328 34.689 -20.453 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -31.878 50.934 -23.758 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -32.383 51.358 -24.488 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -31.215 50.375 -24.220 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -34.864 35.646 -22.452 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -35.004 35.252 -23.334 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -35.441 35.120 -21.859 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -28.577 37.041 -23.242 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -28.838 36.705 -24.131 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -29.394 37.462 -22.898 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -28.588 46.820 -26.528 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -28.469 46.190 -27.271 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -29.375 47.343 -26.785 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -26.817 51.937 -21.299 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -26.372 51.324 -21.935 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -27.427 52.460 -21.863 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -33.279 49.356 -28.022 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -33.333 48.958 -28.922 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -33.405 50.311 -28.176 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -23.587 46.657 -11.699 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -24.216 47.388 -11.570 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -24.010 45.899 -11.245 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -34.464 49.351 -2.263 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -34.622 48.658 -2.928 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -33.498 49.349 -2.148 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -25.735 44.557 -0.830 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -26.280 43.796 -1.128 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -25.533 45.044 -1.659 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -33.772 45.821 -1.426 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -33.808 44.913 -1.068 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -32.837 46.090 -1.299 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -35.010 42.633 -3.439 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -35.269 41.759 -3.787 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -35.499 43.269 -4.004 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -25.185 52.668 0.555 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -25.409 53.401 1.133 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -24.390 52.955 0.102 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -27.750 44.974 1.011 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -26.944 44.798 0.477 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -27.593 45.857 1.398 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -25.000 41.327 2.000 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -25.627 40.732 1.538 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -24.397 40.718 2.473 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -34.018 40.266 -1.245 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -33.492 40.350 -2.067 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -34.885 39.928 -1.548 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -31.779 35.533 2.517 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -31.494 35.305 3.413 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -31.406 36.434 2.370 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -29.144 42.853 2.052 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -30.003 42.979 1.587 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -28.597 43.607 1.742 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -32.239 38.319 -0.484 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -32.868 39.046 -0.673 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -32.813 37.547 -0.297 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -36.457 49.424 -0.438 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -36.521 50.301 -0.055 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -35.733 49.502 -1.103 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -34.513 47.019 -3.822 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -35.475 46.844 -3.858 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -34.221 46.576 -2.993 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -20.989 45.851 -1.418 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -21.718 45.478 -0.863 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -20.227 45.913 -0.802 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -25.310 30.005 -1.149 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -24.851 29.239 -0.742 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -24.613 30.473 -1.628 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -25.430 46.014 -3.131 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -26.053 46.771 -3.073 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -25.320 45.873 -4.092 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -21.157 41.781 3.689 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -21.112 42.365 4.476 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -20.219 41.617 3.467 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -23.214 39.736 3.353 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -23.666 39.248 4.080 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -22.599 40.341 3.818 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -31.084 46.640 -1.446 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -31.406 47.445 -1.907 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -30.256 46.933 -1.011 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -31.205 43.440 0.343 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -32.136 43.337 0.069 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -30.742 43.669 -0.471 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -19.922 43.339 1.050 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -20.887 43.428 1.175 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -19.627 44.239 0.792 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -22.766 46.801 -3.245 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -22.218 46.501 -2.486 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -23.684 46.661 -2.946 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -32.569 42.848 -4.641 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -33.364 42.804 -4.066 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -32.623 43.739 -5.050 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -27.199 48.083 -3.180 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -27.504 48.031 -4.117 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -28.011 48.250 -2.675 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -32.382 49.592 -5.153 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -31.941 49.920 -5.960 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -33.271 49.358 -5.447 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -27.534 47.610 -5.833 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -27.996 47.083 -6.516 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -26.599 47.357 -5.932 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -24.802 49.440 -4.065 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -24.493 49.919 -3.291 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -25.660 49.070 -3.791 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -23.874 37.610 7.594 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -24.013 37.934 6.681 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -24.605 36.959 7.730 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -30.786 33.738 0.667 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -30.130 33.422 1.326 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -31.422 34.255 1.198 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -26.345 33.675 6.356 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -25.466 33.242 6.460 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -26.980 33.008 6.702 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -23.852 37.687 1.465 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -23.719 38.294 2.218 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.223 37.998 0.800 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -29.372 40.097 2.464 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -29.282 39.858 3.409 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -29.405 41.079 2.465 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -32.528 40.267 -3.570 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -32.207 41.134 -3.898 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -31.738 39.704 -3.568 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -34.766 37.909 -8.260 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -35.470 37.874 -8.921 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -34.814 38.820 -7.912 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -24.856 38.224 5.004 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -25.590 38.842 5.213 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -25.303 37.362 4.863 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -35.044 40.092 -4.636 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -34.124 40.095 -4.294 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -35.552 39.600 -3.954 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -32.412 37.295 -4.925 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -32.254 36.998 -5.845 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -33.052 38.009 -5.015 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -32.436 41.373 -7.008 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -32.499 41.903 -6.189 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -31.559 41.606 -7.375 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -27.093 39.828 0.987 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -27.888 39.909 1.564 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -27.330 40.321 0.192 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -36.214 39.028 -2.381 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -37.148 39.209 -2.227 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -36.055 38.171 -1.911 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -30.691 37.856 1.671 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -31.252 38.228 0.951 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -30.202 38.638 2.021 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -23.068 44.854 -0.033 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -22.940 44.174 0.668 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -24.010 44.769 -0.275 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -26.863 39.989 5.619 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -26.321 40.358 6.356 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -26.972 40.749 4.997 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -33.674 43.023 -0.971 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -34.242 43.057 -1.767 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -33.731 42.089 -0.684 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -22.746 42.934 1.797 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -23.603 42.451 1.809 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -22.221 42.505 2.508 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -35.010 40.545 -7.345 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -34.078 40.868 -7.376 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -35.168 40.366 -6.388 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -31.687 49.097 -2.591 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -31.196 49.898 -2.376 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -31.933 49.213 -3.542 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -27.603 47.549 2.057 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -28.097 47.506 2.888 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -26.869 48.149 2.245 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -23.604 48.404 -8.776 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -23.537 48.634 -7.826 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -22.762 47.988 -8.978 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -36.035 44.297 -5.359 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -36.543 44.994 -4.882 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -35.196 44.737 -5.605 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -27.224 37.117 1.606 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -26.510 36.714 2.131 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -26.951 38.052 1.505 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -29.063 38.555 4.849 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -29.511 38.447 5.692 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -28.199 38.962 5.088 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -33.329 48.883 -8.513 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -33.649 49.432 -9.262 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -32.522 49.342 -8.208 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -31.320 35.155 -3.541 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -31.634 35.944 -4.029 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -32.025 34.967 -2.918 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -25.110 35.352 2.201 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -24.557 36.098 1.866 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -25.239 34.786 1.429 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -33.390 45.322 -5.774 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -33.568 46.114 -5.221 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -33.256 45.682 -6.678 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -35.328 40.251 -11.488 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -35.991 40.173 -10.766 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -35.837 40.616 -12.243 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -33.519 36.031 0.356 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -33.101 35.851 1.223 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -33.793 35.143 0.033 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -37.199 46.245 -3.782 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -38.039 46.705 -3.890 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -37.025 46.289 -2.806 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -28.979 35.814 4.086 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -29.199 36.763 4.147 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -28.024 35.780 4.311 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -27.115 41.890 3.699 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -27.817 42.309 3.162 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -26.337 41.877 3.107 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -28.985 33.405 2.683 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -28.992 34.197 3.266 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -28.723 32.670 3.281 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -26.246 35.815 4.624 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -25.732 35.497 3.848 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -26.262 35.044 5.234 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -33.832 50.429 -10.766 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -34.234 51.165 -11.276 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -32.939 50.328 -11.161 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -36.136 47.226 -9.423 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -35.469 47.145 -8.734 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -36.492 46.315 -9.521 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -18.739 45.717 0.185 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -18.024 45.236 -0.284 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -18.278 46.488 0.589 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -24.950 40.821 7.384 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -24.647 40.534 8.257 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -24.127 40.861 6.848 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -22.081 42.122 9.682 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -22.616 42.756 9.195 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -22.546 41.265 9.552 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -21.169 39.423 1.327 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -21.839 39.695 1.978 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -20.406 39.135 1.877 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -16.860 31.074 9.119 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -16.861 30.140 8.865 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -17.069 31.550 8.274 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -20.587 43.814 -5.949 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -20.352 44.259 -5.111 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -19.725 43.615 -6.360 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -19.752 30.495 7.269 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -20.027 30.155 6.396 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -18.933 31.027 7.074 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -36.483 46.798 -1.255 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -35.585 46.524 -0.995 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -36.599 47.676 -0.827 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -28.615 47.521 -0.596 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -27.824 47.091 -0.944 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -28.409 47.670 0.348 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -24.076 31.416 -3.629 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -25.001 31.560 -3.883 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.611 32.215 -3.954 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -35.889 36.791 -0.871 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -35.051 36.597 -0.404 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -36.531 36.197 -0.461 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -36.965 40.169 -9.281 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -37.701 40.728 -9.005 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -36.279 40.326 -8.603 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -30.958 50.019 -7.536 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -30.191 49.726 -7.031 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -30.583 50.283 -8.409 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -17.768 43.519 -6.282 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -17.299 42.782 -5.838 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -17.456 44.317 -5.814 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -34.212 44.295 -10.311 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -33.806 44.907 -9.674 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -35.173 44.428 -10.189 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -23.320 32.869 12.970 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -23.759 33.611 12.490 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -22.670 33.305 13.529 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -20.567 38.335 9.712 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -19.859 37.928 9.201 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -20.220 39.230 9.930 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -23.086 39.616 9.261 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -23.457 38.939 8.651 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -22.333 39.165 9.682 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -25.671 35.652 8.110 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -25.716 35.130 8.916 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -26.001 35.046 7.413 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -24.148 35.181 11.788 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -24.742 35.899 12.019 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -23.568 35.566 11.090 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -32.945 51.457 -31.767 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -33.057 51.392 -32.747 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -33.785 51.107 -31.410 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -36.522 46.104 -37.471 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -36.836 46.514 -36.635 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -36.897 46.687 -38.176 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -34.987 49.145 -36.020 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -35.779 48.634 -35.755 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -34.365 48.473 -36.333 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -33.364 50.816 -34.375 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -34.037 50.399 -34.951 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -32.516 50.566 -34.782 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -36.329 50.301 -38.257 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -36.650 51.221 -38.155 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -35.812 50.137 -37.448 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -32.075 53.204 -29.863 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -32.060 54.020 -30.373 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -32.153 52.496 -30.547 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -35.128 50.266 -30.586 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -36.027 49.861 -30.517 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -34.514 49.485 -30.578 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -29.155 51.369 -26.515 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -29.133 50.961 -27.417 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -29.423 50.634 -25.926 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -37.431 48.827 -30.620 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -37.870 48.541 -29.797 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -37.557 48.075 -31.228 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -34.137 51.938 -28.568 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -34.626 51.503 -29.302 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -33.490 52.522 -29.023 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -26.338 48.418 -26.899 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -27.101 47.831 -26.710 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -25.588 47.809 -27.003 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -33.988 55.229 -18.138 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -34.115 54.353 -18.528 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -33.483 55.724 -18.825 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -36.467 54.975 -16.952 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -36.963 54.587 -17.697 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -35.666 55.346 -17.369 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -32.935 52.243 -16.173 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -31.983 52.065 -16.146 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -33.013 53.179 -15.884 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -33.270 54.863 -15.471 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -33.482 55.208 -16.366 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -34.141 54.803 -15.025 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -29.340 52.902 -10.993 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -29.515 52.067 -10.512 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -29.211 53.553 -10.297 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -29.901 53.051 -19.438 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -30.608 52.718 -20.034 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -29.215 53.361 -20.038 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -32.576 56.094 -20.352 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -31.885 56.742 -20.508 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -32.558 55.526 -21.150 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -31.626 52.218 -21.391 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -31.946 53.101 -21.659 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -31.650 51.695 -22.223 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -32.341 54.554 -22.686 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -33.154 54.248 -23.113 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -31.670 54.529 -23.404 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -34.797 51.919 -18.150 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -35.138 51.058 -17.818 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -34.053 52.126 -17.543 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -35.184 52.096 -12.584 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -36.099 51.931 -12.282 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -35.248 52.931 -13.094 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -31.470 50.187 -12.134 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -31.915 49.556 -12.744 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -30.909 50.736 -12.725 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -36.983 53.318 -19.153 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -36.209 52.923 -18.701 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -37.569 52.556 -19.327 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -36.153 53.320 -21.863 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -36.541 53.666 -21.038 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -35.900 52.401 -21.638 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -29.617 51.784 -13.458 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -29.372 52.244 -12.623 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -30.030 52.490 -14.005 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -28.241 49.452 -13.845 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -28.623 50.359 -13.793 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -28.239 49.142 -12.914 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -35.610 50.929 -20.587 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -35.133 51.265 -19.799 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -36.512 50.747 -20.258 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -35.594 53.583 -24.474 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -35.699 54.527 -24.622 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -35.858 53.457 -23.528 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -33.580 49.072 -19.301 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -32.666 49.197 -18.977 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -34.136 49.172 -18.502 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -30.869 49.287 -18.847 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -30.546 50.074 -18.356 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -30.437 48.528 -18.391 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -32.902 52.160 -26.038 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -33.477 52.046 -26.814 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -32.129 52.647 -26.386 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -30.462 54.504 -24.779 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -30.628 54.061 -25.641 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -30.082 55.356 -25.022 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -28.093 48.552 -11.244 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -28.300 47.606 -11.220 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -27.130 48.593 -11.026 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -20.805 47.890 -4.769 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -21.311 48.334 -5.477 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -21.499 47.590 -4.138 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -23.150 48.588 -6.066 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -23.677 49.160 -5.466 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -23.376 47.690 -5.785 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -1.499 -30.086 12.263 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -1.206 -30.194 11.326 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -1.396 -29.123 12.436 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -5.651 -31.193 11.395 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -5.648 -30.529 10.701 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -6.607 -31.355 11.566 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -12.188 -29.975 18.438 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -12.393 -30.923 18.588 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -12.233 -29.872 17.463 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -12.333 -29.625 15.755 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -12.934 -29.287 15.056 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -12.378 -30.603 15.655 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -13.017 -32.536 18.772 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -13.627 -32.036 19.374 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -12.800 -33.332 19.266 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -8.809 -29.005 15.803 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -9.165 -29.792 16.232 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -9.518 -28.337 15.899 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -14.421 -30.944 20.429 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -14.077 -30.741 21.326 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -14.703 -30.083 20.084 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -13.357 -29.898 22.758 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -13.930 -29.111 22.719 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -12.457 -29.534 22.739 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -2.715 -22.826 25.384 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -2.025 -22.148 25.249 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -2.218 -23.664 25.414 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -3.740 -29.208 20.199 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -3.219 -28.911 20.973 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -3.828 -30.160 20.326 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -0.764 -30.938 14.780 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -1.268 -30.579 14.025 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -1.438 -31.073 15.476 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -12.709 -32.334 16.025 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -13.045 -33.152 15.649 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -12.827 -32.447 16.992 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -9.547 -26.733 27.617 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -8.929 -26.895 28.369 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -9.997 -27.599 27.488 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -1.040 -27.419 12.892 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -1.081 -26.603 12.350 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -0.262 -27.282 13.464 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -1.407 -26.699 27.724 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -1.841 -26.843 28.600 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -0.963 -27.553 27.537 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -10.449 -29.259 27.132 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -11.146 -29.871 27.388 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -9.950 -29.734 26.457 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -3.586 -22.368 10.864 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -3.483 -22.152 11.805 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -2.672 -22.410 10.531 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -14.656 -26.212 15.141 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -14.759 -26.373 16.094 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -14.046 -25.453 15.094 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -4.464 -24.740 13.090 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -4.193 -25.662 13.334 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -4.895 -24.844 12.232 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -7.569 -22.643 14.941 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -7.936 -21.898 15.476 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -7.773 -22.394 14.015 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -7.683 -21.178 25.104 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -6.878 -21.726 24.959 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -8.016 -21.473 25.979 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -11.583 -27.381 13.309 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -11.770 -26.818 12.549 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -12.415 -27.894 13.440 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -4.787 -26.736 21.969 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -5.430 -27.308 22.460 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -3.919 -27.161 22.136 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -8.106 -27.360 25.228 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -7.734 -26.466 25.108 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -8.686 -27.270 26.002 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -9.580 -29.362 13.080 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -10.248 -28.652 13.070 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -9.141 -29.264 13.945 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -7.331 -24.685 25.287 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -7.358 -24.745 26.263 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -6.666 -23.989 25.114 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -4.006 -33.477 15.048 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -3.771 -32.979 14.225 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -4.954 -33.639 14.960 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 2.224 -26.817 24.502 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 2.553 -27.662 24.101 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 2.861 -26.137 24.180 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -3.720 -27.271 13.543 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -4.016 -28.131 13.916 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -2.778 -27.415 13.330 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -7.462 -28.728 19.643 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -8.441 -28.759 19.716 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -7.173 -29.618 19.945 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -16.212 -29.777 12.957 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -16.751 -29.674 12.166 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -16.707 -30.394 13.505 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -13.978 -28.522 13.883 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -14.746 -29.010 13.506 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -14.376 -27.702 14.258 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -10.923 -27.246 15.970 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -11.520 -27.999 16.165 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -11.034 -27.103 15.004 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -7.693 -24.455 22.507 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -6.726 -24.388 22.361 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -7.773 -24.624 23.469 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -8.384 -31.268 11.559 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -8.782 -30.553 12.111 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -9.141 -31.709 11.167 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -4.905 -24.066 22.619 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -4.013 -23.673 22.449 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -4.796 -25.016 22.382 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -0.713 -24.832 11.792 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 0.184 -25.106 11.502 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -0.847 -23.960 11.362 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -4.024 -29.731 14.655 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -3.677 -30.173 15.457 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -4.077 -30.447 13.995 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -8.591 -25.155 15.325 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -9.283 -25.041 14.649 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -8.080 -24.318 15.281 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -10.453 -23.718 13.716 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -9.766 -23.391 13.106 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -10.927 -22.911 13.994 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -10.209 -28.837 19.948 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -10.921 -29.279 19.438 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -10.644 -28.572 20.784 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -7.750 -27.122 29.592 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -7.721 -27.696 30.364 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -6.807 -26.984 29.358 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -6.348 -28.443 23.325 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -6.431 -29.408 23.283 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -7.013 -28.172 23.995 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -3.553 -31.867 12.929 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -4.321 -31.726 12.319 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -2.838 -31.321 12.542 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -3.804 -26.885 26.356 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -3.978 -26.241 25.658 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -2.959 -26.589 26.754 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 0.355 -32.266 12.309 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 0.141 -32.907 12.997 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -0.209 -31.495 12.518 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -7.168 -27.000 16.865 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -7.536 -26.349 16.230 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -7.503 -27.861 16.540 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -0.887 -24.864 25.812 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -1.025 -25.460 26.586 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -0.147 -24.302 26.075 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -2.311 -35.037 16.526 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -2.948 -35.718 16.768 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -2.821 -34.428 15.943 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -6.839 -31.238 20.533 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -7.532 -31.902 20.583 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -6.424 -31.256 21.424 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -5.883 -31.441 23.083 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -6.081 -32.131 23.722 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -4.922 -31.258 23.217 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -11.539 -27.797 22.183 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -11.120 -26.935 22.356 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -12.489 -27.584 22.078 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -10.188 -24.078 27.562 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -11.092 -24.046 27.235 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -9.963 -25.038 27.548 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -7.093 -24.443 28.041 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -7.388 -23.512 28.005 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -7.798 -24.897 28.528 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -14.251 -27.438 21.841 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -14.758 -26.602 21.835 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -14.306 -27.758 20.910 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -17.872 -25.380 22.457 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -18.290 -26.227 22.646 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -18.597 -24.746 22.477 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -14.147 -28.245 19.258 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -13.428 -28.853 18.978 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -14.132 -27.536 18.588 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -6.281 -22.498 10.374 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -5.322 -22.435 10.590 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -6.301 -22.544 9.413 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -4.958 -23.348 15.451 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -4.880 -23.948 14.683 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -5.875 -23.010 15.396 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -2.893 -27.248 29.934 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -3.779 -26.980 29.613 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -3.026 -27.435 30.868 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -15.332 -8.095 21.511 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -15.185 -9.018 21.193 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -16.311 -8.041 21.632 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -18.634 -13.596 19.757 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -18.695 -13.658 20.718 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -19.523 -13.290 19.479 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -21.277 -13.004 19.069 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -21.454 -12.833 18.134 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -21.920 -13.684 19.311 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -12.883 -18.953 18.903 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -13.810 -19.041 18.579 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -12.933 -19.215 19.830 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -18.333 -18.030 18.909 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -18.569 -18.972 18.756 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -17.759 -18.053 19.702 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -1.094 -16.922 24.693 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -1.194 -17.171 23.748 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -0.504 -16.130 24.670 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -16.361 -18.088 20.818 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -16.445 -18.485 21.693 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -15.593 -17.478 20.905 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -9.010 -13.359 16.214 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -9.851 -12.954 15.934 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -8.347 -12.658 16.054 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -11.515 -16.611 19.593 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -10.575 -16.823 19.451 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -11.996 -17.348 19.158 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -15.061 -10.706 20.800 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -15.484 -11.498 20.411 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -14.639 -11.041 21.625 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -8.515 -5.949 19.095 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -8.543 -6.625 19.805 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -8.221 -5.136 19.549 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -10.902 -11.401 15.743 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -10.379 -10.818 16.333 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -10.926 -10.923 14.904 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -11.010 -16.020 12.626 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -11.374 -15.404 11.953 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -11.677 -16.013 13.340 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -9.151 -9.815 17.169 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -8.451 -10.324 16.697 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -8.926 -8.872 16.982 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -14.474 -15.590 23.596 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -15.073 -14.816 23.596 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -14.587 -15.973 24.486 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -8.911 -7.211 16.737 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -9.412 -6.596 16.173 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -8.679 -6.678 17.529 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -13.189 -8.723 23.108 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -13.958 -8.443 22.575 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -13.411 -9.632 23.386 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -0.767 -22.194 10.889 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -0.144 -21.766 10.292 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -0.890 -21.540 11.617 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -15.053 -15.570 15.936 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -16.015 -15.558 15.865 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -14.886 -15.652 16.898 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -18.017 -8.153 21.768 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -18.333 -8.796 21.095 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -18.580 -7.360 21.622 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -16.465 -10.035 18.331 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -16.111 -9.506 17.581 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -15.887 -9.806 19.077 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -3.548 -5.495 26.288 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -3.184 -5.021 25.534 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -3.803 -4.789 26.919 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -15.526 -5.650 20.187 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -15.673 -5.861 19.235 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -15.374 -6.520 20.603 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -8.083 -6.339 13.742 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -7.268 -5.954 14.080 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -7.903 -7.299 13.719 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -10.503 -5.911 14.857 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -9.636 -5.929 14.380 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -11.034 -5.245 14.358 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -17.877 -8.414 24.446 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -17.542 -9.311 24.663 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -17.876 -8.392 23.460 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -13.754 -25.805 17.747 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -13.199 -25.385 17.059 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -13.298 -25.581 18.592 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -14.730 -15.459 18.649 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -14.540 -15.911 19.495 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -15.716 -15.441 18.601 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -7.710 -17.975 16.016 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -7.502 -17.038 16.225 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -8.252 -17.921 15.199 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -16.102 -12.679 19.065 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.369 -11.854 18.613 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -16.950 -13.131 19.255 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -11.229 -20.042 17.031 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -11.370 -19.394 16.299 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -11.800 -19.708 17.757 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -17.416 -15.577 18.201 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -17.982 -14.929 18.664 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -17.867 -16.440 18.350 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -15.570 -19.295 18.422 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -16.222 -18.894 17.832 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -15.864 -19.026 19.317 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -4.484 -7.688 27.553 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -3.836 -8.423 27.521 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -4.037 -6.954 27.066 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -13.112 -12.668 25.457 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -13.746 -13.367 25.666 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -13.529 -11.847 25.821 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -15.715 -24.197 19.036 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -16.124 -23.534 18.448 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -15.225 -24.782 18.432 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -12.165 -14.320 10.828 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -11.667 -13.794 10.194 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -13.022 -14.448 10.410 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -9.150 -17.694 13.649 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -8.516 -17.850 12.943 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -9.772 -17.024 13.268 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -7.062 -15.299 16.311 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -6.565 -14.798 15.645 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -7.900 -14.791 16.411 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -8.107 -9.189 13.647 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -9.024 -9.100 13.987 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -8.222 -9.466 12.732 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -16.405 -13.799 24.462 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -16.449 -14.384 25.233 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -17.344 -13.587 24.266 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -10.703 -11.627 26.276 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -9.916 -11.975 25.801 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -11.461 -12.097 25.869 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -1.241 -18.040 15.069 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -1.413 -17.600 14.231 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -0.735 -17.378 15.588 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -3.055 -9.275 24.182 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -2.755 -8.454 23.734 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -3.845 -9.536 23.688 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -12.690 -7.070 16.108 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -13.314 -6.314 16.128 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -11.874 -6.691 15.717 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -11.595 -8.687 18.049 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -10.701 -8.787 17.672 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -12.053 -8.086 17.425 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -14.184 -4.742 15.852 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -14.031 -4.487 14.930 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -14.473 -3.902 16.288 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -14.030 -16.617 21.086 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -13.087 -16.569 20.853 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -14.075 -16.240 21.999 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -7.392 -11.172 15.641 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -6.560 -11.699 15.617 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -7.326 -10.582 14.865 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -20.180 -6.862 24.247 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -19.384 -7.421 24.378 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.929 -7.494 24.310 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -5.248 -18.819 17.064 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -5.448 -19.750 17.299 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -6.064 -18.504 16.626 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -10.749 -8.676 14.375 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -10.524 -7.726 14.395 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -11.667 -8.705 14.672 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -8.659 -20.591 16.320 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -9.579 -20.413 16.605 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -8.248 -19.704 16.276 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -11.972 -21.649 14.926 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -11.666 -21.290 15.784 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -12.148 -20.857 14.393 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -11.934 -4.298 13.216 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -12.809 -3.881 13.039 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -11.639 -4.618 12.329 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -4.283 -8.378 20.667 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -4.856 -8.552 19.911 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -4.817 -8.668 21.446 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -15.311 -24.915 21.612 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -16.216 -25.050 21.983 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -15.478 -24.573 20.698 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -16.199 -9.630 13.914 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -16.473 -9.128 13.139 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -16.555 -10.513 13.764 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -17.069 -6.665 26.371 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -17.176 -7.194 25.546 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -17.956 -6.631 26.742 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -12.754 -9.320 28.516 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -13.165 -9.652 29.338 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -13.489 -8.869 28.049 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -12.613 -16.008 14.864 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -12.226 -15.216 15.248 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -13.569 -15.948 15.107 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -13.591 -11.515 22.969 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -13.569 -11.961 23.840 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -12.689 -11.654 22.610 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -8.442 -12.326 24.917 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -7.594 -11.831 24.886 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -8.404 -12.916 24.139 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -9.729 -19.800 23.825 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -9.602 -19.901 22.859 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -9.153 -20.489 24.213 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -10.773 -25.070 22.290 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -11.543 -24.821 22.854 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -10.005 -24.716 22.763 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -7.898 -16.234 29.472 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -7.488 -17.122 29.571 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -7.143 -15.625 29.414 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -12.635 -25.116 20.157 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -11.908 -25.168 20.809 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -13.436 -25.039 20.701 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -8.502 -21.955 27.634 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -8.982 -21.189 28.000 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -9.179 -22.674 27.605 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -6.904 -18.808 23.970 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -7.144 -19.686 24.340 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -5.973 -18.918 23.680 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -5.402 -19.967 27.517 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -5.511 -20.900 27.287 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -4.754 -19.630 26.852 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -13.202 -24.766 23.486 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -13.985 -24.612 22.919 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -13.525 -25.348 24.183 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -14.242 -2.933 12.843 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -15.176 -2.830 12.638 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -13.846 -2.063 12.605 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -15.772 -6.194 17.563 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -15.280 -5.658 16.909 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -15.795 -7.089 17.168 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -15.244 -8.625 16.297 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -15.612 -8.973 15.450 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -14.333 -8.370 16.074 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -4.547 -5.045 22.976 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -4.932 -4.150 23.026 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -5.156 -5.599 23.502 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -5.657 -9.105 22.909 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -5.956 -8.283 23.351 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -5.862 -9.815 23.554 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -6.080 -11.002 24.897 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -5.481 -11.557 25.446 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -6.302 -10.243 25.483 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -5.293 -12.926 15.842 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -4.385 -12.825 15.534 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -5.201 -13.340 16.728 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -5.019 -14.563 18.040 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -4.180 -15.070 17.997 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -5.663 -15.116 17.551 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -1.961 -13.935 20.215 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -1.016 -13.779 20.074 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -2.213 -14.550 19.494 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -6.494 -4.392 25.888 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -6.903 -3.549 25.611 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -5.809 -4.118 26.533 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -0.223 -15.755 16.470 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 0.609 -15.818 16.968 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -0.071 -15.004 15.852 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -20.763 -10.971 20.977 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -20.106 -10.417 20.499 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -21.067 -11.608 20.307 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -2.492 -15.734 18.095 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -2.602 -16.710 18.051 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -1.716 -15.560 17.517 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -2.619 -18.388 17.485 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -2.174 -18.460 16.613 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -3.568 -18.571 17.285 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -16.509 -22.117 17.305 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -15.907 -21.382 17.514 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -16.475 -22.187 16.342 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -18.611 -20.715 18.479 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -19.412 -21.239 18.388 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -17.903 -21.296 18.137 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -3.527 -16.312 25.760 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -2.582 -16.348 25.490 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -3.502 -15.980 26.682 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -4.682 -4.698 20.238 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -4.615 -5.572 19.840 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -4.493 -4.853 21.188 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -14.492 -10.392 25.961 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -15.406 -10.503 25.637 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -14.533 -9.586 26.512 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -3.475 -19.018 25.901 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -3.535 -18.036 25.887 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -2.596 -19.195 26.274 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -5.687 -2.495 22.071 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -5.695 -1.538 21.876 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -5.472 -2.907 21.217 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.635 -5.995 21.602 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -20.276 -5.334 21.244 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -19.958 -6.174 22.506 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -12.573 -24.344 15.568 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -12.636 -23.380 15.425 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -11.825 -24.615 15.005 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -8.300 -22.206 12.276 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -8.585 -21.374 11.887 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -7.555 -22.495 11.700 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -11.555 -18.581 14.805 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -10.700 -18.375 14.375 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -12.030 -17.721 14.814 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -11.072 -5.107 10.759 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -11.520 -5.496 10.000 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -10.199 -4.869 10.424 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -5.239 -26.436 28.720 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -4.855 -26.732 27.866 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -5.696 -25.597 28.497 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -6.329 -6.778 24.447 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -6.426 -5.924 24.923 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -6.356 -7.452 25.157 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -10.474 -16.695 28.784 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -10.817 -15.777 28.766 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -9.579 -16.602 29.182 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -11.381 -14.030 28.547 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -11.060 -13.405 27.880 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -11.608 -13.457 29.315 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -13.958 -5.273 30.856 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -13.699 -4.412 31.235 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -14.034 -5.093 29.897 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -11.186 -2.681 32.573 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -12.018 -2.741 32.064 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -11.351 -1.977 33.210 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -6.781 -6.067 28.149 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -6.776 -5.622 27.280 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -6.053 -6.720 28.089 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -8.844 -2.755 31.185 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -8.921 -3.573 30.661 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -9.637 -2.769 31.769 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -6.161 -14.454 27.976 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -5.275 -14.863 28.093 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -5.966 -13.540 27.712 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -9.794 -19.539 28.804 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -10.308 -19.849 29.560 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -10.125 -18.631 28.647 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -12.117 -12.174 30.519 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -12.750 -11.444 30.677 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -12.516 -12.939 30.989 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -7.154 -18.832 29.266 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -8.023 -19.263 29.154 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -6.570 -19.305 28.636 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -10.454 -9.983 29.768 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -10.703 -10.835 30.180 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -11.201 -9.789 29.158 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -8.331 -8.874 28.416 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -8.951 -9.491 28.860 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -8.398 -8.059 28.935 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -13.956 -10.080 30.866 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -13.989 -9.316 31.475 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -14.841 -10.100 30.466 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -10.086 -7.247 30.337 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -10.139 -8.224 30.273 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -10.813 -7.011 30.925 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -14.777 -7.610 31.951 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -14.877 -7.359 32.876 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -14.429 -6.790 31.516 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -16.309 -8.690 29.968 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -15.808 -8.224 30.675 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -17.228 -8.628 30.249 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -6.631 -8.757 26.339 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -7.290 -8.905 27.065 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -5.816 -8.473 26.814 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -15.288 -16.153 26.282 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -14.499 -16.123 26.874 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -15.846 -16.834 26.671 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -13.407 -14.339 31.601 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -13.111 -14.880 32.340 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -14.252 -14.723 31.347 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -13.095 -16.122 27.893 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -12.737 -15.238 28.113 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -12.389 -16.734 28.160 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -4.499 -12.084 26.858 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -4.017 -11.229 26.852 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -3.870 -12.703 27.255 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -11.483 -4.550 27.739 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -10.938 -4.250 28.482 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -12.399 -4.337 28.012 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -2.326 -12.206 28.779 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -1.610 -11.967 28.151 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -2.810 -11.379 28.911 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -3.742 -15.681 28.419 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -3.120 -15.316 29.082 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -3.867 -16.616 28.698 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -4.096 -18.278 29.282 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -4.480 -18.424 30.156 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -4.592 -18.889 28.697 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -8.959 -4.913 29.396 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -8.151 -5.295 28.987 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -9.411 -5.690 29.796 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -15.025 -6.082 23.642 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -14.147 -5.753 23.352 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -15.212 -6.820 23.041 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -8.424 14.941 -10.245 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -7.877 15.109 -11.050 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -7.786 14.961 -9.516 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -0.869 12.612 -0.158 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -0.855 12.004 0.588 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -0.905 13.500 0.258 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -12.595 8.333 0.487 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -12.730 7.492 0.930 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -12.984 8.994 1.103 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -8.224 12.416 0.741 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -8.485 11.906 -0.040 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -7.399 12.874 0.463 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -9.626 14.831 1.225 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -10.242 14.690 1.964 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -9.272 13.941 1.034 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -0.424 13.441 -2.713 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -0.554 13.047 -1.823 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 0.108 12.796 -3.182 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -10.672 14.466 3.794 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -10.378 13.546 3.610 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -9.870 14.900 4.167 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -10.930 8.258 -1.659 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -10.820 9.188 -1.873 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -11.544 8.259 -0.889 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -8.617 12.044 -2.985 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -9.412 11.725 -3.478 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -7.879 11.613 -3.429 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -17.966 16.153 0.715 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -17.908 15.213 0.435 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -17.701 16.649 -0.069 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -8.131 15.338 -4.367 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -7.928 16.149 -3.860 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -8.365 14.690 -3.687 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -11.290 8.506 -5.496 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -10.925 7.846 -4.862 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -11.843 7.985 -6.083 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -6.037 19.462 7.890 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -6.160 19.428 6.922 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -5.186 19.936 8.003 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -1.877 15.689 -2.351 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -1.326 14.881 -2.491 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -2.099 15.984 -3.265 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -14.312 12.846 -2.798 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -14.801 13.220 -3.561 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -13.389 12.879 -3.071 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -11.879 10.991 4.129 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -10.976 11.241 3.864 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -12.122 11.655 4.806 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -15.702 16.076 -7.998 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -16.120 16.422 -8.807 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -14.766 15.965 -8.247 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -8.662 14.661 7.444 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -8.651 14.987 6.521 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -7.905 14.034 7.479 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -18.223 15.750 5.877 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.260 15.854 5.774 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -18.392 16.009 6.806 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -10.381 6.622 -3.759 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -9.843 5.894 -3.440 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -10.609 7.129 -2.945 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -10.504 10.990 -4.620 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -10.770 10.073 -4.854 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -10.775 11.519 -5.399 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -6.023 13.712 -0.428 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -5.516 14.513 -0.690 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -5.338 13.004 -0.388 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -19.350 13.600 8.811 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -18.487 13.127 8.864 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -19.098 14.541 8.720 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -14.115 12.788 9.718 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -14.165 13.079 8.780 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -13.174 12.918 9.959 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -11.365 11.960 -7.008 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -11.651 12.705 -7.582 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -11.026 11.303 -7.628 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -19.761 16.473 -1.717 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -19.945 16.331 -0.774 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -20.646 16.483 -2.132 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -20.612 16.099 1.176 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -20.869 16.156 2.114 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -19.634 16.208 1.188 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -2.959 13.593 2.028 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -3.611 14.115 2.529 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -2.258 14.238 1.802 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -6.500 12.938 3.992 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -6.170 12.165 3.514 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -5.918 13.678 3.685 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -6.490 13.130 6.832 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -5.578 12.979 7.092 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -6.490 12.990 5.867 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -15.057 16.184 6.046 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -14.750 16.950 6.574 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -14.423 16.139 5.300 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -11.335 14.516 7.871 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -10.354 14.498 7.782 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -11.495 14.232 8.793 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -9.385 16.423 9.460 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -9.131 17.302 9.098 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -9.019 15.787 8.814 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -18.828 16.301 8.591 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -18.338 16.234 9.446 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -18.896 17.278 8.433 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -12.822 16.203 4.279 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -12.227 15.544 3.869 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -12.729 16.996 3.710 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -9.385 12.122 3.296 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -8.571 12.116 3.821 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -9.072 12.030 2.371 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -8.163 15.101 4.744 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -7.683 14.322 4.404 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -7.455 15.764 4.906 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -18.043 13.637 -0.419 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -18.119 13.701 -1.390 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -17.298 13.011 -0.283 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -15.903 11.932 -0.780 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -15.342 12.341 -1.479 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -15.342 11.248 -0.399 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -13.707 9.858 2.453 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -14.496 9.935 2.995 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -12.993 10.245 3.012 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -17.682 13.230 -3.210 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -17.572 12.308 -2.945 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -16.974 13.373 -3.878 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -10.362 12.989 -10.428 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -9.632 13.637 -10.341 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -10.206 12.570 -11.278 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -2.443 16.455 -4.907 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -1.512 16.355 -5.210 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -2.905 16.849 -5.682 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -8.774 6.080 20.732 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -7.829 5.808 20.662 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -9.260 5.230 20.716 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -20.250 -0.614 16.385 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -20.189 -0.157 17.256 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -20.147 -1.562 16.605 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -17.736 4.108 19.062 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -17.131 3.962 19.822 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -18.615 4.231 19.478 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -9.576 13.366 17.304 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -10.423 13.034 17.651 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -9.279 12.669 16.693 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -10.944 0.389 17.245 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -10.319 0.417 18.002 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -10.362 0.394 16.457 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -9.095 0.037 19.291 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -9.013 -0.290 20.199 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -8.818 -0.725 18.732 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -17.065 8.085 18.203 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -16.350 8.164 17.544 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -17.345 9.012 18.363 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -6.860 8.746 19.534 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -7.437 9.360 20.039 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -6.442 8.202 20.215 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -8.076 -3.673 22.816 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -8.555 -3.339 23.609 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -7.218 -3.196 22.833 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -10.252 10.534 18.451 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -9.794 10.678 17.593 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -9.578 10.762 19.123 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -8.828 8.028 17.553 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -8.586 8.288 16.638 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -8.004 8.148 18.060 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -0.830 2.614 25.283 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -0.101 2.645 24.658 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -0.400 2.739 26.158 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -11.496 7.087 17.021 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -10.602 7.020 16.647 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -11.812 7.971 16.730 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -5.274 2.883 22.389 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -4.490 2.698 22.955 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -5.488 2.016 21.990 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -7.300 4.244 16.182 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -7.427 4.447 17.113 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -6.976 5.083 15.798 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -8.426 1.714 21.901 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -8.369 2.154 22.777 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -8.876 2.367 21.339 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -10.233 9.323 22.812 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -11.035 9.676 23.255 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -10.229 8.369 23.050 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -7.189 1.478 16.347 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -7.197 2.429 16.086 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -7.925 1.085 15.839 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -12.304 9.714 16.814 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -12.584 10.495 16.291 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -11.662 10.080 17.460 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -17.386 12.284 26.116 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -17.465 11.843 26.985 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -17.565 11.574 25.472 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -17.821 3.277 15.044 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -17.795 4.038 15.676 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -18.386 3.585 14.328 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -12.722 10.032 23.814 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -12.834 10.933 23.435 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -13.385 9.990 24.516 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -12.697 12.212 15.604 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -12.975 12.958 15.032 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -12.579 12.621 16.491 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -9.421 10.916 15.902 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -8.936 10.140 15.546 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -10.172 11.021 15.302 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -6.405 1.084 26.698 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -5.896 0.838 27.509 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -5.783 1.609 26.180 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -7.179 -1.595 25.941 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -6.933 -0.654 26.023 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -7.353 -1.878 26.870 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -12.844 -0.619 12.291 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -12.042 -0.905 12.771 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -12.541 0.105 11.734 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -15.125 3.231 18.170 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -14.616 3.962 17.763 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -16.043 3.553 18.167 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -13.938 5.557 16.990 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -13.012 5.867 16.981 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -14.455 6.354 16.757 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -10.657 1.354 24.885 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -10.062 1.557 25.638 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -10.252 1.813 24.137 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -20.055 0.722 18.720 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -19.409 0.620 19.453 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -20.178 1.677 18.644 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -16.008 1.154 19.837 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -16.224 0.415 19.225 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -15.663 1.858 19.246 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -15.020 3.341 14.876 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -15.999 3.376 14.873 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -14.757 4.112 15.404 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -8.561 -3.404 20.183 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -8.271 -3.466 21.120 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -7.783 -3.014 19.716 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -14.341 6.099 26.599 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -14.545 5.189 26.288 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -15.057 6.646 26.219 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -14.917 -2.377 16.916 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -15.568 -1.772 17.330 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -14.347 -1.786 16.385 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -8.308 8.553 14.937 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -8.016 8.974 14.095 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -7.716 7.778 15.031 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -3.306 2.242 24.186 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -3.245 1.287 24.274 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -2.466 2.572 24.584 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -12.996 2.049 13.563 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -13.447 1.204 13.416 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -13.693 2.629 13.943 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -12.931 7.094 23.310 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -12.915 8.007 23.640 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -11.998 6.798 23.375 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -10.370 2.259 14.128 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -11.336 2.179 13.940 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -10.148 3.149 13.839 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -6.263 6.783 15.582 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -6.076 7.573 16.147 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -5.418 6.593 15.158 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -12.041 4.609 27.113 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -11.861 4.431 26.181 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -12.762 5.278 27.093 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -7.512 9.001 23.394 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -8.441 9.257 23.253 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -7.069 9.826 23.613 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -10.224 6.604 23.099 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -9.693 6.275 22.348 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -9.616 6.515 23.874 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -5.859 9.061 16.994 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -5.641 9.986 16.840 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -6.041 9.012 17.957 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -13.947 14.079 13.841 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -14.558 13.320 13.761 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -14.105 14.591 13.027 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -17.703 5.395 16.693 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -17.767 4.970 17.576 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -17.739 6.343 16.885 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -12.920 -0.896 15.656 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -13.689 -0.293 15.494 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -12.317 -0.365 16.210 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -7.286 9.701 12.717 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -7.610 10.397 12.136 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -6.456 9.422 12.315 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -13.414 0.188 18.384 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -12.533 0.463 18.056 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -14.029 0.809 17.965 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -15.264 14.634 11.341 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -14.940 15.433 10.865 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -14.948 13.886 10.785 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -17.792 0.620 15.961 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -18.690 0.246 15.848 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -17.877 1.547 15.650 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 0.586 3.009 27.603 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 1.420 3.399 27.887 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 0.118 2.823 28.423 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -6.154 4.704 24.229 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -5.901 4.129 23.471 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -5.332 4.818 24.720 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -14.324 10.261 14.394 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -13.706 10.919 14.757 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -14.756 10.724 13.654 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -19.016 14.505 25.787 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -19.783 13.948 25.582 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -18.290 13.862 25.935 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -15.862 8.774 27.990 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -16.091 8.411 27.107 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -15.110 8.243 28.273 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -22.095 6.989 27.342 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -21.714 7.877 27.323 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -22.437 6.896 28.238 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -16.384 7.686 25.561 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -17.332 7.428 25.562 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -16.245 8.081 24.683 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -8.058 6.635 24.675 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -7.331 5.985 24.601 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -7.684 7.458 24.299 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -14.661 3.531 25.754 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -15.534 3.166 26.006 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -14.257 2.823 25.210 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -14.660 8.283 16.385 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -13.844 8.721 16.695 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -14.844 8.717 15.526 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -8.918 2.303 26.754 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -8.064 1.860 26.949 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -9.172 2.724 27.600 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -12.175 0.222 26.858 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -12.706 -0.543 26.590 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -11.784 0.554 26.016 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -8.544 3.228 24.189 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -7.814 3.878 24.194 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -8.671 3.005 25.136 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -15.804 -1.779 28.439 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -16.762 -1.928 28.477 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -15.710 -0.801 28.501 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -14.380 -1.991 25.999 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -14.581 -2.948 25.938 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -14.861 -1.700 26.797 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -7.708 -2.528 28.409 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -8.330 -3.193 28.752 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -7.263 -2.191 29.202 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -15.360 -4.590 25.849 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -16.093 -5.107 26.248 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -15.104 -5.123 25.060 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -11.637 16.435 10.884 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -11.536 17.174 11.495 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -10.811 16.465 10.332 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -6.625 4.418 20.439 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -6.031 4.101 21.145 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -6.783 3.622 19.889 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -9.260 0.028 15.096 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -9.711 -0.685 14.585 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -9.569 0.863 14.661 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -7.102 2.039 19.048 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -6.987 1.924 18.082 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -7.857 1.456 19.266 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -6.071 0.479 21.206 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -6.938 0.743 21.583 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -6.069 0.881 20.319 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -16.936 2.150 26.441 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -16.504 1.758 27.227 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -17.460 1.415 26.070 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -8.425 -1.593 17.220 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -8.650 -1.124 16.393 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -7.449 -1.618 17.221 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -18.468 2.994 22.222 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -17.572 3.311 22.011 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -19.050 3.511 21.631 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -17.879 -3.466 18.485 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -18.813 -3.423 18.181 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -17.514 -4.233 18.023 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -18.092 10.281 24.265 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -18.843 9.665 24.112 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -17.369 9.910 23.737 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -1.968 11.504 30.263 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -1.811 11.338 29.334 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -1.098 11.479 30.662 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -4.848 -3.923 28.138 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -4.848 -3.184 28.779 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -5.392 -4.605 28.566 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -11.386 13.189 20.878 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -11.086 14.111 20.728 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -11.650 12.882 19.992 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -8.786 10.347 20.745 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -8.422 11.236 20.987 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -9.296 10.076 21.539 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -6.189 -2.642 19.142 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -5.482 -3.312 19.250 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -5.825 -2.006 18.495 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -5.735 -0.762 17.061 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -4.889 -0.647 16.614 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -6.228 0.065 16.855 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -16.816 -0.818 18.118 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -17.339 -1.638 18.232 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -17.274 -0.336 17.393 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -10.999 -1.806 14.011 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.745 -1.595 14.622 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.159 -2.737 13.753 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -15.065 0.668 15.579 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -14.978 1.627 15.407 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -16.028 0.535 15.700 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -14.494 16.466 15.216 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -14.259 15.582 14.882 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -13.671 16.788 15.644 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -15.052 -8.214 27.556 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -15.560 -8.401 28.376 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -15.622 -7.591 27.060 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -16.741 12.784 8.728 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -16.074 12.407 9.323 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -16.222 13.085 7.957 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -10.215 3.558 28.871 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -10.852 3.998 28.259 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -10.038 4.223 29.545 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -10.710 0.863 29.379 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -11.036 0.534 28.521 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -10.561 1.821 29.228 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -14.208 -4.117 28.321 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -14.715 -3.292 28.452 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -14.535 -4.464 27.468 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -12.667 0.083 31.204 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -13.260 0.861 31.199 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -11.916 0.351 30.634 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -6.007 0.248 31.426 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -6.988 0.221 31.280 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -5.907 0.710 32.266 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -11.836 13.964 25.185 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -11.857 13.411 25.975 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -12.350 13.456 24.522 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -13.511 -2.463 31.061 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -13.180 -1.536 31.164 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -14.200 -2.390 30.390 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -15.508 0.975 28.527 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -15.516 1.193 29.476 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -14.705 1.431 28.191 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -17.728 10.746 28.406 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -17.623 10.893 29.352 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -17.083 10.028 28.202 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -13.182 2.358 28.193 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -12.902 3.185 27.743 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -12.716 1.646 27.697 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -19.073 6.796 25.663 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -18.637 6.125 26.239 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -19.888 6.347 25.358 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -4.953 0.335 28.878 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.246 0.570 29.782 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -4.678 -0.588 28.954 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -5.326 -2.196 30.338 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -5.520 -1.332 30.765 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -5.493 -2.843 31.035 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -18.241 -3.040 25.763 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -18.165 -2.065 25.709 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -18.575 -3.200 26.672 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -8.641 -0.010 31.045 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -8.770 -0.979 31.128 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -9.396 0.284 30.497 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -20.365 11.526 27.646 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -20.301 11.632 26.671 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -19.474 11.233 27.913 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -4.582 24.146 -17.657 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -4.891 24.569 -16.834 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -5.123 23.336 -17.725 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -18.842 21.518 -11.841 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -19.407 22.326 -11.870 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -19.234 20.980 -11.122 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -6.249 27.598 -15.787 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -6.245 26.664 -15.506 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -5.457 27.674 -16.362 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -10.775 27.338 -15.546 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -10.828 26.380 -15.408 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -11.349 27.711 -14.840 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -6.546 34.052 -14.318 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -6.714 33.163 -14.707 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -5.647 33.983 -13.942 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -8.645 29.090 -15.618 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -7.824 28.559 -15.695 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -9.363 28.424 -15.665 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -5.216 17.623 -14.038 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -4.399 18.028 -13.658 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -4.968 16.688 -14.200 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -5.576 19.796 -15.706 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -5.498 18.963 -15.190 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -4.939 19.677 -16.452 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -8.599 21.456 -12.205 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -8.438 21.243 -13.157 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -8.909 20.611 -11.823 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -11.739 25.545 -13.479 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -11.988 26.456 -13.237 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -11.424 25.152 -12.645 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -12.345 28.452 -13.609 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -11.893 29.314 -13.588 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -13.271 28.675 -13.817 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -5.774 29.891 -14.309 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -5.967 29.137 -14.907 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -5.528 29.463 -13.467 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -8.044 20.750 -14.756 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -7.311 20.226 -15.123 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -8.786 20.112 -14.682 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -5.351 31.141 -9.876 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -5.459 30.167 -9.785 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -4.397 31.268 -9.965 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -17.251 25.259 -8.021 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -18.034 25.015 -8.550 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -17.284 26.241 -7.982 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -19.958 31.118 -12.939 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -20.801 31.575 -13.143 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -20.216 30.196 -12.814 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -23.536 29.833 -15.165 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -24.260 29.854 -15.798 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -23.275 28.887 -15.129 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -9.175 18.927 -11.073 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -9.188 19.098 -10.113 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -8.216 18.795 -11.283 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -15.047 20.838 -11.530 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -14.093 21.042 -11.674 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -15.481 21.138 -12.351 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -6.189 21.876 -17.540 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -6.148 21.153 -16.888 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -7.110 22.160 -17.520 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -0.924 28.515 -11.675 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -0.774 28.654 -10.717 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -0.849 27.534 -11.788 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -20.351 23.744 -11.594 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -19.946 24.005 -10.739 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -21.241 24.151 -11.570 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -16.879 21.716 -9.684 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -17.519 21.895 -10.388 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -16.086 21.389 -10.161 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -5.345 24.883 -15.078 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -5.089 23.954 -14.908 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -4.605 25.408 -14.703 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -7.495 31.708 -15.335 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -8.108 31.094 -15.776 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -6.864 31.111 -14.869 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -10.448 23.417 -12.168 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.729 22.755 -12.090 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -10.648 23.438 -13.114 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -19.768 20.287 -9.546 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -19.249 20.779 -8.890 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -19.466 19.359 -9.443 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -17.191 30.677 -12.024 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -18.149 30.775 -12.134 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -17.097 30.058 -11.267 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -10.523 16.757 -9.854 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -9.849 16.052 -9.953 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -10.269 17.424 -10.521 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -10.175 19.302 -13.720 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -11.088 19.618 -13.702 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -10.026 18.956 -12.823 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -6.570 18.753 -11.799 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -5.946 19.441 -11.491 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -6.126 18.361 -12.575 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -4.063 19.933 -17.970 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -3.523 19.702 -18.735 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -4.525 20.747 -18.239 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -3.653 27.630 -16.861 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -3.171 27.125 -17.543 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -3.084 28.409 -16.689 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -12.877 23.181 -14.264 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -12.558 24.095 -14.122 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -13.797 23.298 -14.592 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -12.471 21.463 -12.208 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -11.816 22.026 -11.762 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -12.691 21.960 -13.028 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -15.479 23.635 -14.886 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -16.209 24.138 -15.249 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -15.910 22.911 -14.382 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -16.647 22.808 -7.164 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -16.675 23.768 -7.403 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -16.577 22.350 -8.035 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -14.609 18.203 -10.771 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -14.731 19.144 -11.016 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -15.522 17.857 -10.690 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -9.881 18.699 -8.128 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -10.588 18.945 -7.516 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -10.229 17.903 -8.590 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -16.980 16.884 -10.413 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -17.841 17.228 -10.082 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -17.217 16.097 -10.916 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -13.234 16.180 -9.570 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -12.287 16.400 -9.691 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -13.708 16.901 -10.047 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -21.959 34.950 -19.248 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -22.138 34.723 -18.325 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -20.993 34.811 -19.344 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 -3.129 34.164 -14.812 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 -2.950 34.638 -15.630 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 -3.451 33.278 -15.111 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -2.881 30.041 -12.731 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -2.143 29.501 -12.360 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -2.817 30.892 -12.250 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -4.710 28.079 -12.440 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -4.024 28.782 -12.480 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -4.363 27.377 -13.034 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 -16.767 21.570 -13.611 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 -16.970 20.788 -14.135 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 -17.507 21.622 -12.959 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -4.748 22.203 -14.448 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -5.358 22.331 -13.693 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -5.081 21.396 -14.892 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -19.325 22.361 -6.969 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -19.346 21.579 -6.368 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -18.377 22.627 -6.977 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -2.517 18.879 -8.863 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 -1.668 18.409 -8.668 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -2.682 18.687 -9.795 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -2.602 10.876 -17.880 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -1.697 10.629 -18.080 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -3.124 10.443 -18.557 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -10.690 30.852 -14.377 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -10.637 31.724 -14.842 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -9.807 30.457 -14.509 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -4.721 14.888 -14.305 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -4.884 14.430 -15.142 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -3.958 14.430 -13.928 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 -10.622 33.277 -15.626 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 -11.401 33.796 -15.915 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 -9.863 33.745 -16.027 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -16.076 31.523 -14.461 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -16.362 31.279 -13.550 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -15.495 30.779 -14.734 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -14.520 29.367 -15.312 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -14.982 28.745 -15.884 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -13.666 29.533 -15.777 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -12.103 29.625 -16.510 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -11.603 30.204 -15.909 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -11.556 28.823 -16.578 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -12.469 13.636 -8.840 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -12.796 14.521 -9.110 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -11.788 13.415 -9.515 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -6.925 15.506 -12.519 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -7.146 16.386 -12.849 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -6.182 15.220 -13.083 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -5.681 28.382 -9.892 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -5.425 28.231 -10.829 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -5.952 27.503 -9.576 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -4.102 16.708 1.349 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -4.130 16.413 0.416 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -3.632 17.573 1.314 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -6.702 19.304 5.227 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -7.651 19.541 5.312 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -6.306 20.066 4.751 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -3.918 17.652 -6.831 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -4.774 17.446 -7.218 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -3.452 18.157 -7.530 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -9.459 19.815 5.682 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -9.805 20.734 5.689 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -10.255 19.261 5.687 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -7.490 22.603 6.144 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -7.288 22.730 7.093 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -8.465 22.538 6.115 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -15.318 24.201 7.644 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -15.764 24.950 8.091 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -16.053 23.669 7.290 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -16.082 21.694 -4.736 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -16.367 22.134 -5.566 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -15.250 21.278 -4.966 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -18.096 16.586 -6.690 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -18.106 16.248 -5.763 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -17.188 16.384 -7.010 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -16.910 26.008 8.959 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -17.556 25.975 8.208 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -17.042 26.891 9.340 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.987 16.681 5.325 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.577 16.663 6.200 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -6.238 17.628 5.199 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -15.947 27.428 5.351 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -16.929 27.403 5.426 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -15.656 26.618 5.783 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -16.497 19.808 9.327 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -15.918 19.376 9.986 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -15.882 20.135 8.653 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -9.049 21.118 9.550 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -8.984 20.198 9.214 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -8.196 21.523 9.303 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -17.633 21.044 11.510 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -18.313 21.655 11.191 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -17.277 20.642 10.688 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -12.327 13.244 5.682 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -11.996 13.656 6.512 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -11.908 13.768 4.975 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -11.484 17.034 6.517 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -11.353 16.243 7.075 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -11.934 16.690 5.718 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -10.235 22.486 5.902 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -10.357 23.346 5.448 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -10.617 22.632 6.797 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -13.710 20.384 9.134 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -13.892 20.027 10.029 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -13.631 21.348 9.272 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -17.991 23.215 7.197 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -18.364 22.810 8.021 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -18.252 24.152 7.252 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -11.665 13.744 10.544 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -11.096 13.369 11.224 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -11.714 14.699 10.771 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -3.294 26.855 7.862 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -3.232 27.771 8.190 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -2.397 26.671 7.506 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -3.248 22.035 4.922 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -3.481 22.922 5.212 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -4.063 21.704 4.487 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -5.938 21.723 4.126 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -6.383 22.074 3.333 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -6.447 22.111 4.880 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -8.015 15.792 -7.019 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -8.908 15.516 -7.251 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -7.922 15.527 -6.071 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -7.496 18.527 -6.716 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -8.316 18.747 -7.207 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -7.470 17.547 -6.734 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -4.973 15.087 3.306 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -5.207 15.708 4.030 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -4.691 15.681 2.564 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -7.289 17.373 -2.762 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -6.429 17.148 -3.185 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -7.167 18.303 -2.460 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -18.364 15.771 -4.052 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -18.199 14.846 -3.780 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -18.790 16.175 -3.267 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -15.668 13.772 -5.002 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -15.748 14.641 -5.419 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -15.187 13.227 -5.675 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -8.342 14.402 -1.673 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -8.635 13.563 -2.096 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -7.459 14.186 -1.309 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -14.101 12.541 -6.806 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -13.289 12.069 -6.554 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -13.879 12.948 -7.663 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -14.622 13.650 7.114 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -14.877 14.539 6.788 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -13.920 13.360 6.490 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -13.727 18.120 7.587 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -13.624 18.999 8.023 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -12.830 17.919 7.238 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -8.639 18.737 8.220 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -8.902 18.982 7.313 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -7.660 18.861 8.228 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -16.018 16.978 22.375 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -15.638 17.766 22.800 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -16.967 17.003 22.630 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -16.586 21.812 16.939 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -17.129 21.000 17.035 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -16.243 21.975 17.851 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -13.054 21.906 20.337 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -12.513 22.462 20.905 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -12.875 22.245 19.428 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -14.189 15.096 22.892 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -14.994 15.613 22.641 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -13.749 15.656 23.561 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -20.976 26.586 15.597 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -21.423 26.275 14.789 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -21.713 26.790 16.215 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -14.671 14.007 19.125 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -14.137 14.717 19.550 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -15.593 14.286 19.276 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -12.550 23.070 17.890 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -13.151 22.803 17.159 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -12.106 23.854 17.552 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -10.852 22.879 8.542 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -10.679 23.523 9.248 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -10.340 22.085 8.817 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -18.186 24.188 18.619 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -18.259 24.809 17.866 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -17.262 24.253 18.893 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -11.469 17.956 20.817 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -11.558 18.460 19.999 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -11.856 18.549 21.507 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -9.996 23.048 11.304 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -10.905 22.803 11.608 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -9.658 22.232 10.882 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -20.194 22.042 22.712 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 -20.626 22.357 23.532 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -20.911 22.053 22.044 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -18.087 23.212 15.090 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -18.252 24.042 15.582 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -17.580 22.657 15.722 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -2.605 29.486 8.507 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -1.782 29.449 9.038 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -2.300 29.783 7.616 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -21.878 25.810 21.258 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 -21.033 25.434 20.991 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -22.257 25.138 21.865 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -13.509 28.991 12.740 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -14.410 29.203 12.490 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -13.535 28.034 12.949 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -10.304 30.513 10.288 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -9.439 30.227 9.925 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -10.403 29.989 11.113 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -10.768 29.220 12.666 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -11.735 29.397 12.651 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -10.699 28.341 13.105 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -8.002 12.807 21.541 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -8.510 13.254 22.249 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -7.699 13.528 20.978 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -7.205 23.255 8.868 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -7.610 23.696 9.625 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.311 23.653 8.811 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -12.826 19.654 22.384 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -13.551 19.414 22.999 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -13.199 20.368 21.841 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -15.718 22.067 19.506 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -14.836 21.887 19.892 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -16.315 22.124 20.284 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -14.675 18.625 24.185 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -15.322 18.765 24.887 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -14.131 17.876 24.504 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -14.148 16.568 9.824 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -14.156 17.000 8.941 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -13.192 16.464 10.030 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -12.107 17.404 16.309 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -11.755 16.760 16.965 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -11.402 18.051 16.215 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -15.137 21.667 12.641 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -14.982 20.974 13.312 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -16.036 21.478 12.304 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -14.715 18.821 11.211 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -15.423 18.661 11.870 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -14.528 17.934 10.841 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -10.076 15.647 20.770 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -9.769 15.409 21.662 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -10.483 16.537 20.885 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -14.266 22.593 15.795 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -14.504 23.263 15.121 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -15.124 22.371 16.222 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -17.791 22.300 21.365 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -18.373 22.185 20.594 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -18.404 22.290 22.123 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -7.961 30.005 8.924 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -7.057 29.963 9.287 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -7.990 29.277 8.269 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -22.883 23.785 22.955 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -22.497 23.269 23.690 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -23.734 24.107 23.310 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -5.139 29.834 9.561 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -5.451 28.930 9.799 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -4.259 29.679 9.151 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -6.083 27.281 9.682 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -6.870 27.137 9.144 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -5.576 26.452 9.593 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -3.581 32.254 9.850 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -4.125 31.498 10.137 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -2.782 31.847 9.491 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -18.427 17.364 23.539 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -19.033 18.099 23.302 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -18.464 17.332 24.523 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -9.398 24.770 13.325 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -9.621 24.190 12.565 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -8.450 24.670 13.429 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -13.873 26.220 13.029 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -14.419 25.730 13.672 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -14.140 25.844 12.161 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -18.526 25.645 16.317 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -19.461 25.941 16.200 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -18.011 26.309 15.847 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -10.562 33.192 10.490 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -10.538 32.205 10.488 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -11.520 33.410 10.481 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -14.525 19.973 14.804 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -14.269 20.824 15.220 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -13.843 19.352 15.091 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -12.268 13.340 18.107 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -11.945 14.265 18.083 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -13.200 13.420 18.432 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -11.177 26.784 13.861 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -10.544 26.045 13.725 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -12.042 26.406 13.620 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -17.106 18.451 12.505 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -17.475 19.350 12.380 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -17.085 18.332 13.484 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -15.614 24.252 13.976 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -16.486 23.882 14.201 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -15.421 23.884 13.093 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -20.307 29.932 12.889 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -19.952 29.383 13.595 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -19.581 29.962 12.220 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -15.016 24.895 10.915 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -14.473 24.280 10.389 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -15.738 25.149 10.313 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -12.571 22.355 11.806 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -13.360 22.054 12.301 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -12.936 22.701 10.971 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -13.467 23.151 9.308 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -14.074 23.518 8.619 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -12.593 23.124 8.865 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -4.816 24.836 8.919 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -4.154 24.126 9.029 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -4.316 25.556 8.465 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -13.209 15.855 20.406 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -12.638 16.637 20.530 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -13.559 15.669 21.299 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -13.003 12.660 22.993 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -12.459 12.736 22.175 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -13.621 13.430 22.938 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -9.888 14.058 23.134 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -10.382 14.126 23.973 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -10.488 13.568 22.541 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -3.732 20.967 7.501 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.322 21.695 8.010 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -3.425 21.113 6.590 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -19.558 21.994 19.212 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -19.058 21.386 18.639 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -19.200 22.887 18.985 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -20.459 20.012 25.842 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -20.200 19.616 24.985 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -20.206 19.343 26.501 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -21.871 16.650 20.863 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -22.113 17.587 21.028 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -21.332 16.398 21.652 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -10.753 15.712 18.040 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -10.109 15.068 17.671 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -10.495 15.792 18.982 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -18.307 29.784 11.040 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -17.788 30.504 10.629 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -18.418 29.135 10.321 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -17.668 16.154 11.088 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -17.471 16.986 11.578 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -16.875 15.600 11.228 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -16.613 18.164 15.160 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -15.988 17.411 15.248 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -16.036 18.952 15.188 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.392 31.269 17.286 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -4.072 30.866 16.735 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -3.857 31.528 18.087 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -18.991 17.192 26.164 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -18.950 16.208 26.102 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -19.550 17.357 26.950 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -12.840 16.576 24.820 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -12.094 17.177 24.942 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -12.493 15.704 25.105 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -15.985 41.384 -14.874 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -15.435 41.898 -14.247 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -15.862 40.469 -14.599 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -17.194 45.435 -15.727 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -16.243 45.326 -15.827 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -17.396 45.012 -14.866 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -20.444 38.563 -21.152 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -20.209 38.245 -22.058 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -20.198 39.506 -21.163 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -20.003 39.579 -12.781 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -20.122 40.545 -12.877 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -19.084 39.489 -12.435 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -6.326 38.861 -14.134 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -6.841 38.129 -14.535 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -5.967 38.477 -13.306 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -16.720 33.995 -17.933 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -16.357 33.508 -18.679 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -17.616 34.255 -18.232 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -19.551 38.989 -15.449 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -19.869 39.160 -14.540 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -19.227 39.855 -15.755 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -14.690 39.548 -12.639 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -13.967 39.267 -13.213 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -14.613 40.532 -12.615 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 -18.145 40.129 -18.331 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 -18.228 40.754 -17.584 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 -18.505 40.622 -19.097 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -8.211 37.247 -11.431 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -7.358 36.763 -11.367 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 -7.950 38.188 -11.536 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -13.711 37.219 -17.588 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -13.407 37.637 -18.399 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -14.640 37.519 -17.498 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -5.364 40.585 -10.629 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -5.192 39.679 -10.966 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -4.488 40.901 -10.354 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -18.896 37.597 -19.089 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -18.677 38.476 -18.717 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -19.417 37.803 -19.894 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -16.383 38.043 -17.650 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -16.827 38.904 -17.788 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -16.828 37.448 -18.272 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -14.442 42.214 -12.686 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -13.545 42.263 -12.286 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -14.986 42.814 -12.124 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -18.427 41.288 -22.971 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -18.056 41.982 -23.528 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -18.612 40.561 -23.590 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -18.922 42.060 -13.308 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -18.282 41.509 -12.814 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -18.550 42.967 -13.250 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -21.080 46.858 -16.725 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -21.963 47.232 -16.534 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -20.472 47.446 -16.244 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -22.682 48.112 -22.337 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -22.461 48.973 -22.709 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -21.939 47.528 -22.618 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -5.059 38.116 -11.818 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -5.313 37.219 -11.504 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -4.117 38.015 -12.094 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -17.603 44.450 -13.163 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -17.983 45.296 -12.848 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -16.995 44.178 -12.441 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -11.412 32.794 -12.347 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -11.988 33.452 -12.795 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -11.380 32.042 -12.967 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -9.619 41.354 -10.376 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -9.134 40.791 -11.016 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -8.928 41.952 -10.021 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 -18.332 36.601 -15.790 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 -18.797 37.471 -15.808 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 -17.466 36.789 -16.185 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -11.755 39.174 -5.938 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -11.241 39.491 -6.723 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -11.143 38.589 -5.480 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -17.407 39.991 -12.005 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -17.275 40.179 -11.042 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -16.534 39.672 -12.302 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -25.124 37.693 -18.483 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -25.241 36.938 -17.879 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -24.454 37.391 -19.121 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -19.216 42.636 -25.759 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -19.584 42.859 -26.643 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -19.373 43.433 -25.234 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 -3.736 39.880 -14.587 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 -4.650 39.585 -14.383 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 -3.718 39.936 -15.548 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -19.212 34.897 -18.753 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -19.559 34.775 -17.843 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -19.112 35.873 -18.846 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -7.679 36.489 -15.012 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -8.063 36.113 -15.825 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -7.110 35.771 -14.668 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -15.955 43.760 -11.027 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -15.995 43.369 -10.123 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -16.068 44.727 -10.872 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -12.491 34.999 -13.558 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -12.576 35.053 -14.534 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -11.684 35.522 -13.360 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -11.300 44.811 -11.463 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -11.836 45.526 -11.113 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -10.415 45.220 -11.598 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -18.486 41.589 -15.967 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -18.908 41.894 -15.133 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -17.521 41.588 -15.753 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -16.548 40.481 -9.506 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -16.550 41.339 -9.037 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -15.603 40.251 -9.570 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -10.494 39.732 -8.236 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -10.551 38.928 -8.797 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -10.181 40.424 -8.849 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -18.973 39.939 -25.444 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -18.495 39.699 -26.245 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -19.162 40.901 -25.558 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -20.612 49.021 -14.986 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -21.532 48.949 -15.321 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -20.672 48.696 -14.066 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -20.562 45.408 -25.685 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -20.566 44.753 -26.415 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -20.619 46.271 -26.145 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -10.046 36.236 -13.188 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -9.439 36.522 -12.471 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -9.557 36.441 -14.002 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -7.766 39.964 -11.884 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -7.508 39.951 -12.823 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -6.961 40.279 -11.419 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -15.336 33.977 -15.570 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -15.831 34.016 -16.424 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -15.525 33.073 -15.225 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -19.730 42.925 -18.142 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -19.276 43.795 -18.090 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -19.443 42.459 -17.332 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -9.078 46.382 -11.411 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -9.327 47.313 -11.381 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.098 46.399 -11.465 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -16.107 42.990 -8.415 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -16.856 43.115 -7.793 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -15.346 43.386 -7.949 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -12.145 42.178 -11.189 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -11.910 43.131 -11.301 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -11.303 41.761 -10.905 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -24.000 43.028 -13.047 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -23.344 42.366 -12.813 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -23.805 43.775 -12.465 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -10.526 37.671 -10.067 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -11.108 37.446 -10.798 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -9.626 37.484 -10.410 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -7.245 42.551 -9.541 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -6.727 42.692 -8.712 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -6.664 41.989 -10.086 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -14.104 34.423 -9.967 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -14.094 33.714 -9.291 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -13.477 35.076 -9.634 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -5.468 42.822 -7.528 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -5.270 43.325 -6.713 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -4.600 42.453 -7.797 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -14.150 39.768 -7.183 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -14.108 39.853 -8.159 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -13.218 39.624 -6.918 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -20.782 46.293 -22.924 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -20.397 45.905 -22.106 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -20.309 45.848 -23.646 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -22.149 47.409 -19.691 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -22.443 47.592 -20.608 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -22.335 48.238 -19.214 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -20.102 45.576 -20.318 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -19.489 45.622 -19.555 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -20.808 46.219 -20.095 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -4.437 43.711 -5.169 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -3.662 43.167 -5.420 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -4.149 44.156 -4.345 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -26.502 42.651 -17.983 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -26.920 41.767 -18.107 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -27.024 43.062 -17.265 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -2.457 40.323 -10.213 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -1.864 39.538 -10.224 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -2.300 40.749 -11.087 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -2.158 41.247 -12.769 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -2.783 40.878 -13.429 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -1.654 41.901 -13.260 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -2.083 33.451 -7.455 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -2.633 34.234 -7.356 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -1.454 33.688 -8.171 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -19.673 35.786 -13.433 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -19.292 36.329 -14.145 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -20.309 36.379 -12.991 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -21.753 40.411 -19.024 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -20.995 40.592 -19.617 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -21.457 39.669 -18.483 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -6.166 34.613 -8.746 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -6.346 35.418 -8.203 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -5.666 34.039 -8.160 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -19.650 37.993 -23.660 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -19.465 38.699 -24.317 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -19.629 37.181 -24.174 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -16.708 46.359 -10.774 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -17.399 46.747 -11.351 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -16.645 46.972 -10.032 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -4.510 33.637 -12.487 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -3.990 33.081 -11.870 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -3.858 33.900 -13.176 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -20.708 50.802 -17.166 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -20.477 50.247 -16.395 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -19.936 51.361 -17.295 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -18.959 45.526 -17.822 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -19.706 46.017 -17.411 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -18.249 45.553 -17.138 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -12.816 34.945 -16.261 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -13.021 35.761 -16.774 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -13.688 34.509 -16.151 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -5.957 35.652 -11.231 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -6.114 35.272 -10.333 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -5.374 34.997 -11.666 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -18.663 32.507 -14.976 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -19.091 31.998 -14.262 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -17.734 32.202 -14.961 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 -8.339 34.347 -16.754 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 -7.737 33.793 -16.229 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 -8.265 33.995 -17.649 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -28.497 53.049 -23.250 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -28.108 52.604 -24.013 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -29.266 53.523 -23.617 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -14.888 43.820 0.993 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -14.990 43.004 1.523 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -14.416 44.442 1.599 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -19.624 40.970 -0.373 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -20.235 40.373 0.114 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -19.709 41.827 0.095 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -6.233 47.589 1.001 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -6.112 48.098 1.834 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -7.134 47.219 1.076 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -16.508 47.261 3.863 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -16.022 47.488 4.685 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -17.163 46.617 4.147 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 -17.882 43.456 -3.153 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 -17.451 43.996 -2.461 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 -18.568 44.048 -3.526 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -7.582 51.127 2.203 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -7.504 52.085 2.186 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 -7.306 50.846 1.297 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -7.909 47.602 -4.692 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -7.810 46.970 -3.932 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -7.164 47.368 -5.289 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -6.957 44.713 2.821 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -6.034 44.944 2.597 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -6.871 44.031 3.501 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -13.710 45.379 2.876 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -12.861 45.877 2.828 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -14.195 45.810 3.588 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -8.734 46.623 2.006 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -8.690 47.364 2.651 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -8.158 45.924 2.397 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -15.482 47.564 6.466 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -16.157 47.831 7.096 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -14.815 47.092 7.018 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -12.298 44.777 -3.826 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -11.618 45.315 -3.354 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -12.482 45.294 -4.641 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -3.813 46.668 -9.612 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.969 46.311 -9.900 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -3.687 46.837 -8.653 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 -22.463 40.810 6.256 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 -22.058 41.679 6.078 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 -21.758 40.303 6.675 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -19.812 45.349 -3.819 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -20.252 45.424 -2.942 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -20.020 46.195 -4.260 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -10.678 46.495 5.564 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -11.328 46.623 6.261 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -10.158 45.711 5.862 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -8.844 50.176 -5.429 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -8.665 49.232 -5.254 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -7.971 50.582 -5.439 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -6.086 48.786 -6.981 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.529 48.911 -6.188 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -5.453 48.614 -7.688 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -20.901 43.134 6.035 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -20.313 42.539 6.566 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -20.521 44.010 6.159 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -13.940 46.483 8.478 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -13.433 45.746 8.839 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -14.341 46.909 9.268 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -7.024 47.757 5.396 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -7.938 47.516 5.591 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -6.491 47.111 5.900 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -15.362 41.991 -1.346 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -15.698 42.904 -1.275 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -14.795 41.889 -0.569 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -19.378 41.453 7.461 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -18.422 41.480 7.212 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -19.372 41.186 8.399 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -6.718 43.698 6.040 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -6.152 43.313 6.747 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -6.844 42.945 5.404 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -9.041 49.018 3.286 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -8.622 49.824 2.922 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -9.980 49.225 3.304 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -2.902 44.274 6.179 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -2.018 44.671 6.165 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -3.059 44.016 5.251 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -3.156 47.895 -2.530 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -4.018 47.420 -2.538 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -2.703 47.553 -1.732 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -13.609 42.569 -4.828 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -13.828 43.066 -5.648 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -13.184 43.238 -4.258 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -11.393 46.836 2.945 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -11.092 46.777 3.880 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -10.567 46.782 2.427 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -10.276 46.295 -2.829 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -9.313 46.159 -2.653 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -10.372 47.252 -2.881 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -5.493 46.265 -5.373 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -5.467 46.385 -4.396 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -5.314 45.314 -5.499 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -8.532 47.757 -8.015 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -8.253 46.867 -8.324 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -7.706 48.162 -7.675 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -15.652 48.056 -6.913 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -16.187 48.738 -6.493 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -14.784 48.493 -7.068 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -15.933 41.357 -5.701 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -15.550 40.792 -6.401 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -15.158 41.791 -5.298 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -10.258 47.056 -6.011 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -9.845 47.301 -6.865 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -9.529 47.137 -5.368 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -11.144 51.140 -6.585 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -10.388 50.747 -6.089 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -11.038 52.088 -6.462 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -12.869 46.555 -5.851 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -11.888 46.663 -5.935 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -13.221 47.435 -6.086 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -6.693 50.085 -0.209 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -6.430 49.209 0.130 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -6.623 49.992 -1.179 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -16.593 45.986 -5.471 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -17.279 46.520 -5.009 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -16.208 46.618 -6.125 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -10.900 49.125 -8.576 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -10.031 48.685 -8.480 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -10.815 49.939 -8.048 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -6.357 46.518 -10.776 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -6.701 45.990 -10.035 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -5.417 46.663 -10.548 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -19.704 40.914 10.168 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -20.536 41.433 10.040 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -19.248 41.372 10.882 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -13.856 40.136 -9.968 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -14.024 39.664 -10.803 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -13.265 40.872 -10.224 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -9.292 44.411 6.624 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -9.465 43.735 7.305 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -8.376 44.220 6.328 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -8.101 45.183 -9.055 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -7.868 44.236 -9.135 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -8.749 45.330 -9.766 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -6.266 39.848 6.578 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -6.163 39.013 6.085 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -6.530 40.506 5.877 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -16.672 36.589 6.782 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -16.692 35.602 6.840 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -16.262 36.865 7.604 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -5.169 42.213 7.649 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -5.493 41.334 7.371 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -4.223 42.189 7.462 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -3.153 41.410 -7.826 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -2.806 41.095 -8.693 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -3.296 40.599 -7.321 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -7.628 36.008 7.257 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -6.822 35.495 7.511 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -7.383 36.419 6.394 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -8.555 38.584 7.648 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -8.202 37.669 7.645 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -7.886 39.099 7.152 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -14.538 44.430 -6.577 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -13.877 45.153 -6.575 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -15.351 44.853 -6.240 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -18.089 48.023 -4.409 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -19.049 48.081 -4.608 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -18.023 48.297 -3.489 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -16.934 47.591 1.136 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -16.823 47.523 2.107 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -16.102 47.964 0.831 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -1.330 47.283 2.078 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -1.469 47.156 1.121 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -2.173 47.626 2.398 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -2.565 44.207 3.369 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -2.476 43.433 2.751 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -3.227 44.782 2.929 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -5.986 49.085 3.284 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -6.500 48.693 4.033 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -6.458 49.916 3.082 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -2.216 42.103 -5.126 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -1.992 42.098 -6.069 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -1.381 42.370 -4.682 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -18.468 42.415 3.161 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -17.560 42.459 2.849 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -18.996 42.762 2.410 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 3.324 39.069 8.605 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 3.363 40.022 8.361 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 2.373 38.910 8.794 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -6.700 37.400 5.175 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -5.926 37.227 4.614 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -7.215 38.081 4.664 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -6.524 37.014 -7.510 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -6.913 37.702 -8.060 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -6.272 37.482 -6.684 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -6.455 49.014 -2.769 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -7.221 48.772 -3.316 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -6.082 48.150 -2.489 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -15.175 47.948 10.447 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -15.325 48.301 11.328 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -15.225 48.734 9.860 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -16.514 44.606 -1.038 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -15.946 44.530 -0.235 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -15.974 45.147 -1.666 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -15.176 50.041 8.694 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -15.293 50.997 8.683 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -14.733 49.844 7.858 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -15.177 45.721 -3.094 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -14.263 45.571 -3.373 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -15.664 45.856 -3.931 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -13.163 49.164 -7.000 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -12.760 49.966 -6.616 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -12.556 48.927 -7.734 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -3.172 44.845 -3.072 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -2.808 44.461 -2.245 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -3.887 45.441 -2.764 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -8.371 40.197 9.821 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -8.504 39.610 9.045 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -7.661 39.757 10.332 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -6.953 35.644 11.056 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -6.078 35.320 10.756 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -7.366 34.854 11.484 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 1.361 43.411 8.573 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 1.336 44.028 9.312 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 1.388 42.538 8.990 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -13.054 34.223 10.159 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -13.261 34.809 10.894 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -13.939 33.942 9.819 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -22.706 36.516 9.882 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -23.142 36.764 9.041 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -21.895 37.060 9.899 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -9.069 42.661 8.796 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -8.893 41.769 9.172 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -8.237 43.131 8.912 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -11.874 42.675 8.651 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -12.047 41.834 9.120 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -10.905 42.774 8.690 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -8.353 32.481 7.827 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -7.411 32.527 7.567 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -8.420 31.627 8.306 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -6.316 40.416 13.607 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -6.020 40.406 14.520 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -5.582 39.997 13.112 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -1.755 38.095 13.013 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -1.334 38.068 13.880 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -1.123 38.619 12.455 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -14.270 41.516 7.910 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -13.966 40.868 8.571 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -13.575 42.205 7.919 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -9.569 36.581 10.380 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -8.685 36.381 10.746 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -9.871 37.350 10.891 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -9.018 40.928 13.318 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -8.088 40.622 13.391 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -8.959 41.880 13.417 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -9.040 31.233 13.510 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -9.214 31.152 14.449 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -9.594 30.533 13.104 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -12.408 40.115 9.618 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -12.089 39.456 8.964 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -11.917 39.891 10.437 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -16.760 41.730 6.805 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -16.490 41.951 5.910 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -15.911 41.644 7.299 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -11.268 38.531 7.669 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -11.381 38.995 6.834 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -10.293 38.490 7.790 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 0.103 39.317 11.534 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 0.958 39.154 11.994 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 0.271 39.031 10.611 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -6.483 38.349 10.821 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -5.795 38.519 11.495 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -6.702 37.395 10.938 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -0.782 31.371 16.413 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -1.748 31.361 16.583 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -0.391 31.432 17.287 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -5.395 34.601 7.716 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -5.032 34.719 8.618 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -5.390 33.630 7.581 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -21.631 32.167 8.373 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -20.875 31.655 8.005 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -21.215 32.905 8.835 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -8.237 33.411 11.969 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -8.348 32.629 12.550 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -9.055 33.423 11.433 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -15.521 33.521 9.345 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -15.943 33.770 8.484 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -15.928 32.662 9.563 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -10.428 39.445 11.472 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -9.755 39.748 10.831 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -10.155 39.868 12.315 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 -4.398 49.303 -4.614 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 -3.757 48.852 -4.030 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 -5.150 49.502 -4.025 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -0.408 -26.478 23.617 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -0.733 -25.928 24.361 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 0.488 -26.758 23.903 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 0.932 -24.613 22.104 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 0.305 -25.180 22.603 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 1.390 -25.232 21.512 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 0.407 -35.378 16.330 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 0.484 -35.811 15.472 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -0.563 -35.282 16.464 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 3.473 -35.062 19.385 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 3.441 -35.893 18.866 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 3.262 -34.374 18.736 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -1.592 -32.888 18.260 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -1.714 -33.779 17.890 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -0.838 -32.986 18.879 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 3.536 -30.050 21.088 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 4.151 -30.676 20.693 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 2.732 -30.587 21.272 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 3.128 -29.191 23.680 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 3.041 -30.091 24.050 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 3.370 -29.341 22.743 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 0.654 -33.150 19.810 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 0.704 -32.363 20.387 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 1.038 -33.866 20.356 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 2.579 -31.796 24.616 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 2.901 -32.713 24.588 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 2.535 -31.583 25.577 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 5.791 -30.004 16.287 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 4.910 -30.396 16.481 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 6.233 -29.983 17.144 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 3.550 -27.460 20.121 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 4.348 -27.533 19.557 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 3.471 -28.343 20.535 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 1.630 -31.746 22.040 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 1.754 -31.564 22.995 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 1.844 -32.701 21.951 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -2.420 -29.017 25.202 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -3.042 -28.410 25.657 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -1.619 -29.006 25.767 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -0.354 -21.266 24.994 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -0.050 -20.459 25.469 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 0.465 -21.635 24.598 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 3.362 -31.184 16.532 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 2.710 -30.595 16.083 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 2.810 -31.882 16.946 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -2.435 -28.058 22.508 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -2.540 -28.527 23.358 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -1.664 -27.468 22.660 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -1.324 -23.977 17.606 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -1.136 -24.924 17.743 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -1.069 -23.819 16.681 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 2.574 -30.903 27.190 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 2.577 -29.929 27.061 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 2.985 -31.030 28.050 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 2.294 -34.345 21.712 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 2.837 -34.729 20.981 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 2.783 -34.580 22.525 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 2.811 -36.601 17.193 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 1.887 -36.355 17.035 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 3.305 -36.140 16.486 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 3.552 -34.601 24.172 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 4.505 -34.709 24.291 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 3.165 -35.327 24.678 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 3.637 -34.624 15.473 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 4.038 -34.011 14.831 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 3.249 -34.043 16.147 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 2.007 -33.414 17.444 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 1.499 -33.205 18.259 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 1.462 -34.099 16.995 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 2.758 -25.948 16.492 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 2.176 -26.013 15.710 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 3.542 -26.475 16.249 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -3.249 -31.031 23.575 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -2.398 -31.443 23.397 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -3.040 -30.320 24.222 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 5.707 -27.487 18.402 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 5.344 -27.412 17.496 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 6.384 -26.806 18.442 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -0.292 -30.868 9.964 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 0.120 -30.958 9.100 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 0.077 -31.604 10.485 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 5.061 -27.421 15.726 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 5.442 -27.102 14.900 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 5.303 -28.374 15.750 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 3.844 -23.981 21.026 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 3.499 -23.097 20.854 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 3.479 -24.525 20.298 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 2.758 -30.975 12.533 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 3.424 -31.572 12.938 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 2.018 -31.570 12.289 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 1.739 -29.864 14.808 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 0.812 -30.190 14.859 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 2.075 -30.234 13.968 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 2.480 -28.221 12.418 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 2.697 -29.151 12.206 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 2.288 -28.234 13.370 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -2.495 -22.845 22.060 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -2.042 -22.695 21.210 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -2.353 -22.012 22.552 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 -0.200 -29.057 26.941 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 0.712 -28.701 26.871 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 -0.072 -29.992 27.150 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 4.517 -32.257 14.250 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 4.205 -31.836 15.078 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 5.440 -31.981 14.177 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 1.164 -26.004 14.158 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 0.560 -25.282 14.424 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 1.488 -25.734 13.279 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -3.026 -22.455 13.695 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -3.567 -22.302 14.496 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -3.386 -23.295 13.328 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -2.894 -31.372 16.488 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -3.374 -32.136 16.113 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -2.432 -31.745 17.277 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 2.435 -28.167 26.872 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 2.982 -27.559 27.382 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 2.366 -27.740 25.986 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 4.158 -25.150 23.461 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 5.053 -25.499 23.401 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 3.997 -24.750 22.575 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 2.146 -17.387 24.753 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 2.148 -16.572 25.269 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 1.655 -18.024 25.311 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 1.812 -22.458 23.671 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 1.444 -23.218 23.167 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 2.688 -22.762 23.947 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 1.313 -22.677 20.202 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 1.087 -23.264 20.956 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 1.596 -23.295 19.502 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 2.303 -25.271 19.137 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 2.387 -25.393 18.163 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 2.626 -26.127 19.510 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -0.880 -24.123 14.457 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -0.893 -24.441 13.528 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -1.530 -23.401 14.464 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.761 -12.237 21.122 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 1.030 -13.026 21.632 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 0.652 -11.541 21.794 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 5.173 -15.196 17.413 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 5.888 -14.564 17.287 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 5.613 -16.052 17.434 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 2.497 -14.509 17.151 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 3.416 -14.848 17.222 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 2.451 -13.802 17.834 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -1.255 -17.554 22.038 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -0.285 -17.421 21.928 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -1.522 -18.053 21.229 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 1.485 -17.494 22.116 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 1.586 -18.435 21.846 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 1.830 -17.475 23.041 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 1.805 -14.676 22.092 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 1.590 -15.627 21.961 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 2.719 -14.598 21.791 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 0.878 -13.650 15.126 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 1.533 -13.911 15.812 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 1.343 -13.004 14.590 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 0.059 -9.998 22.882 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 -0.699 -9.865 22.270 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 0.225 -9.118 23.246 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -2.714 -12.334 22.263 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -2.365 -12.929 21.557 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -2.524 -11.433 21.928 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -1.951 -9.954 20.987 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -1.515 -10.019 20.126 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -2.678 -9.314 20.841 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -2.708 -7.098 22.562 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -3.190 -7.408 21.775 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -3.160 -6.267 22.806 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 0.378 -14.696 24.436 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -0.008 -13.798 24.487 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 0.961 -14.661 23.651 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -4.279 -19.109 23.301 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -4.073 -19.061 24.262 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -3.555 -19.666 22.937 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -1.976 -19.188 20.013 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -2.180 -18.908 19.094 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -1.793 -20.148 19.934 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 2.438 -12.441 18.969 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 1.780 -12.413 19.698 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 2.854 -11.576 18.995 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -0.765 -12.185 24.287 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -1.599 -12.339 23.797 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -0.399 -11.368 23.879 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 0.197 -18.814 26.153 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -0.297 -18.144 25.628 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -0.213 -18.763 27.046 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 1.467 -20.266 21.850 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 1.399 -20.851 21.076 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 1.651 -20.874 22.590 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -2.869 -9.828 26.813 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -1.946 -10.131 26.916 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -2.941 -9.606 25.851 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 -0.519 -11.312 26.898 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 0.434 -11.238 27.030 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 -0.608 -11.727 26.009 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 -1.472 -18.406 28.277 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 -1.006 -17.782 28.881 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 -2.356 -18.502 28.676 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 -1.862 -20.287 22.915 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 -1.270 -20.578 23.642 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 -1.405 -19.521 22.527 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -1.308 -20.442 12.946 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -1.139 -19.839 13.684 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -1.952 -21.086 13.307 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -5.426 -22.722 24.896 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -5.293 -23.098 23.998 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -4.512 -22.659 25.261 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -1.283 -21.972 19.625 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -0.333 -22.027 19.854 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -1.375 -22.568 18.855 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 1.819 -25.811 11.391 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 2.055 -26.725 11.692 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 2.360 -25.675 10.607 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -2.175 -14.417 30.323 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -2.478 -14.096 31.180 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -2.179 -13.611 29.750 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -0.443 -16.551 29.999 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -1.028 -15.782 30.160 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 0.345 -16.362 30.514 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 -4.384 15.772 -1.266 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 -4.696 16.326 -2.004 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 -3.455 15.559 -1.508 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 -3.774 12.217 -0.188 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 -2.926 12.103 -0.640 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 -3.533 12.636 0.667 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 1.844 27.268 -14.482 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 2.599 27.700 -14.028 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 2.205 26.406 -14.784 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -2.301 29.645 -15.384 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -1.340 29.541 -15.229 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -2.671 29.769 -14.483 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 1.695 23.281 -18.125 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 2.500 23.644 -17.738 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 0.971 23.773 -17.681 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -2.206 25.249 -18.494 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -1.883 24.796 -19.306 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -3.071 24.819 -18.307 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 2.166 24.634 -15.244 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 1.952 24.075 -14.470 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 1.356 24.612 -15.788 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -1.161 23.810 -20.628 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.596 23.056 -20.360 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -1.018 23.887 -21.574 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 0.145 29.341 -14.100 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 0.733 28.578 -14.302 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -0.171 29.163 -13.188 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 0.541 21.712 -19.992 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 1.080 22.308 -19.417 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 0.457 20.902 -19.475 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 4.440 26.382 -12.113 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 4.555 27.149 -12.704 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 3.547 26.518 -11.725 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 2.141 29.453 -10.645 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 2.195 29.385 -9.679 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 2.035 28.523 -10.942 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -3.351 26.620 -14.340 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -2.383 26.460 -14.287 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -3.473 27.048 -15.216 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 0.217 19.494 -21.608 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 0.831 19.428 -22.339 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 0.303 20.413 -21.302 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 -2.234 21.886 -11.235 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 -1.581 22.626 -11.138 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 -2.148 21.620 -12.175 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -0.204 24.711 -16.698 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -0.876 24.951 -17.378 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -0.510 25.175 -15.889 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -3.283 19.081 -12.877 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -2.701 19.730 -13.318 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -3.785 19.614 -12.231 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 -0.654 26.149 -14.399 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 0.183 26.638 -14.551 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 -0.621 25.915 -13.436 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -2.505 32.196 -11.091 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -1.781 31.819 -10.557 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -2.056 32.890 -11.638 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 6.381 25.879 -10.238 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 7.235 26.097 -10.621 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 5.735 26.097 -10.947 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 1.414 23.163 -13.000 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 0.722 23.555 -12.409 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 1.213 22.222 -13.004 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 1.550 23.136 -9.343 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 0.797 23.290 -9.968 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 2.344 23.203 -9.910 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -2.336 21.659 -8.476 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -2.309 21.784 -9.447 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -2.534 20.704 -8.367 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 -2.164 21.393 -13.952 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 -1.605 21.660 -14.693 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 -3.047 21.772 -14.169 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 -4.741 20.815 -11.277 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 -3.875 21.226 -11.071 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 -5.319 21.579 -11.503 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -6.285 22.864 -12.201 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -7.172 22.441 -12.141 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -6.477 23.797 -12.360 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 1.987 26.771 -11.016 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 1.150 26.424 -11.412 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 2.023 26.354 -10.131 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 3.617 28.890 -13.103 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 3.412 29.608 -13.745 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 3.328 29.252 -12.246 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -1.351 34.061 -12.636 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -0.744 34.769 -12.340 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -1.748 34.410 -13.454 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -4.076 31.731 -15.516 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -4.739 31.163 -15.072 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -3.348 31.114 -15.733 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 2.418 30.784 -14.638 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 2.200 31.656 -14.972 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 1.549 30.354 -14.497 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 1.655 29.503 1.643 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 1.150 29.854 2.393 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 2.069 28.686 1.996 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 1.469 20.887 -2.306 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 2.228 21.379 -1.926 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 1.558 21.023 -3.272 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 3.659 22.195 -1.290 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 4.571 21.917 -1.154 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 3.700 22.770 -2.092 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -0.909 17.423 -0.498 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -1.255 16.799 -1.179 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -0.844 18.280 -0.973 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 3.278 24.864 3.843 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 3.435 24.253 3.108 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 2.886 24.301 4.543 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 1.304 19.862 0.517 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 1.419 20.187 -0.392 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 0.998 18.954 0.407 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 2.990 29.196 4.411 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 3.049 28.473 3.747 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 2.577 28.776 5.182 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 1.136 26.750 -1.986 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 0.407 26.552 -2.593 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 0.983 27.683 -1.719 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 2.866 27.221 2.579 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 2.956 26.868 1.669 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 3.023 26.433 3.154 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 2.720 23.489 1.030 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 2.986 22.937 0.266 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 2.795 24.408 0.698 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 4.309 32.696 6.521 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 4.314 33.379 5.815 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 5.034 32.108 6.283 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 -0.477 22.279 4.654 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 -1.421 22.008 4.627 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 -0.158 22.130 3.734 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 1.700 28.359 6.862 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 2.386 28.132 7.499 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 1.698 29.342 6.851 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 4.255 23.056 -6.291 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 4.288 23.600 -7.108 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 4.997 22.447 -6.386 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -1.391 30.532 6.295 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -0.911 30.575 5.447 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -0.897 31.137 6.880 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 0.695 21.960 2.183 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 0.944 21.117 1.739 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 1.385 22.595 1.888 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 3.879 23.643 -3.568 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 4.020 23.454 -4.518 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 3.796 24.602 -3.528 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 -1.644 21.781 0.585 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 -0.908 21.937 1.209 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 -2.074 22.652 0.502 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 4.001 14.976 -7.687 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 4.824 14.609 -8.023 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 3.802 15.705 -8.286 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -6.747 19.805 -1.819 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -7.219 20.557 -1.415 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -6.440 20.146 -2.684 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -1.011 20.007 -1.437 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -0.203 20.337 -1.890 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -1.238 20.726 -0.802 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 1.947 21.557 -5.174 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 1.247 21.728 -5.836 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 2.695 22.101 -5.476 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 0.239 21.711 -7.408 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -0.676 21.696 -7.761 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 0.754 22.196 -8.094 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -0.691 26.659 7.023 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 0.132 27.139 6.817 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -0.443 25.711 6.959 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 1.246 19.207 -6.620 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 0.768 19.984 -6.969 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 1.789 19.568 -5.904 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 3.914 30.738 0.698 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 3.017 30.468 0.998 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 3.878 31.709 0.685 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 2.944 26.110 0.010 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 3.592 26.798 -0.258 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 2.253 26.153 -0.688 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 5.227 30.405 3.165 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 4.514 30.009 3.699 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 4.879 30.393 2.255 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 0.638 29.214 -0.900 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 1.128 29.394 -0.072 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 -0.292 29.403 -0.666 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -2.670 19.055 1.033 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -1.974 18.601 0.525 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -2.409 19.994 1.010 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 -0.132 31.934 -6.224 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 -0.908 32.386 -6.624 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 -0.502 31.435 -5.489 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 4.107 28.459 -0.868 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 4.288 29.211 -0.268 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 3.472 28.810 -1.500 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 2.126 14.392 -5.784 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 2.388 13.513 -5.507 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 2.799 14.643 -6.455 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 1.898 28.336 -7.966 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 2.438 28.566 -7.202 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 2.043 27.367 -8.081 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 0.080 31.832 8.245 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 0.847 31.729 7.637 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 0.110 31.024 8.807 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 -2.442 23.104 8.680 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -1.778 23.595 8.166 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -1.909 22.602 9.338 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 2.266 25.678 -8.478 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 1.787 24.825 -8.513 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 3.212 25.414 -8.479 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -0.190 23.948 6.858 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 -0.543 23.366 6.154 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 0.774 23.837 6.790 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 4.659 24.352 -8.785 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 5.439 24.881 -9.076 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 4.321 23.957 -9.616 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 2.075 22.986 5.441 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 2.536 22.161 5.629 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 1.210 22.700 5.073 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 3.473 23.848 -11.279 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 2.852 23.539 -11.973 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 3.943 24.596 -11.700 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 1.902 33.456 -7.249 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 1.217 32.902 -6.805 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 2.718 32.957 -7.137 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -0.843 21.650 10.383 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -0.576 20.725 10.344 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -0.692 21.903 11.299 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -3.569 19.061 -1.968 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -4.099 19.631 -1.397 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 -2.659 19.409 -1.874 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -6.010 19.564 -4.588 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -5.397 18.840 -4.355 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -6.616 19.160 -5.241 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 -0.795 15.102 1.161 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 -0.031 15.306 1.712 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 -0.919 15.909 0.617 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 -0.033 29.469 9.599 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 0.252 29.403 10.546 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 0.218 28.619 9.218 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 2.074 31.095 6.521 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 2.085 30.957 5.557 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 2.796 31.748 6.677 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 4.563 34.479 4.366 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 3.842 35.027 4.006 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 5.118 34.272 3.585 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 7.542 31.756 2.595 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 7.011 32.574 2.591 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 6.911 31.068 2.895 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -4.698 17.310 -3.612 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -3.983 16.922 -4.167 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -4.223 17.960 -3.032 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 0.160 16.302 -5.729 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 0.751 17.059 -5.610 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 0.760 15.520 -5.684 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -0.219 17.543 -8.208 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -0.298 16.834 -7.543 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 0.438 18.155 -7.820 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 -0.618 28.864 -8.932 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 -1.270 28.631 -8.261 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 0.246 28.643 -8.515 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 0.999 29.142 12.078 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 0.816 29.821 12.772 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 1.498 28.466 12.542 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 0.724 30.800 14.205 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 1.297 31.563 14.309 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 0.084 30.878 14.949 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 0.131 34.305 9.457 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 1.033 34.646 9.294 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 0.155 33.387 9.108 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -2.537 38.041 -12.763 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -1.811 38.342 -12.185 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -2.635 38.755 -13.418 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 0.001 33.817 -9.223 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 0.036 32.913 -9.612 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 0.742 33.829 -8.580 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 0.016 31.241 -10.127 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -0.274 30.455 -9.619 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 0.807 30.930 -10.610 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 0.461 43.631 2.447 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -0.097 42.816 2.437 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -0.167 44.345 2.622 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -0.647 45.440 4.888 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -0.460 46.323 4.541 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -1.346 45.090 4.288 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 3.303 33.586 0.731 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 2.422 33.145 0.687 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 3.349 34.114 -0.096 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 5.045 42.662 -1.829 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 5.406 43.516 -1.569 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 5.700 42.024 -1.528 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 0.468 38.922 3.642 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 0.005 39.658 3.188 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 0.364 39.120 4.578 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 0.631 43.270 5.943 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 0.251 44.114 5.604 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 0.819 43.454 6.888 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 0.662 45.691 -4.170 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 1.592 45.935 -4.209 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 0.197 46.546 -3.986 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 8.922 32.172 0.288 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 8.513 31.943 1.155 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 9.849 31.946 0.399 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 1.554 42.630 0.157 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 1.806 41.776 0.561 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 1.215 43.159 0.910 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 2.311 42.358 4.019 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 1.764 42.632 4.785 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 1.876 42.787 3.256 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 -0.951 41.179 5.097 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 -0.447 41.958 5.417 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 -0.909 41.256 4.114 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 2.379 42.278 -2.371 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 2.058 42.485 -1.459 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 3.356 42.361 -2.303 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 -5.151 45.925 6.331 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 -5.787 45.192 6.187 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 -4.300 45.469 6.496 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -3.965 47.462 4.291 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -4.586 48.187 4.076 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -4.326 47.074 5.114 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 3.260 41.553 7.533 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 3.644 41.409 6.642 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 2.823 42.415 7.469 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 5.766 33.792 1.844 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 4.832 33.726 1.559 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 6.267 33.754 1.011 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 1.799 40.188 1.476 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 0.887 40.534 1.609 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 1.999 39.735 2.313 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 0.841 40.042 -2.908 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 0.107 40.523 -3.312 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 1.492 40.741 -2.690 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -2.993 39.227 5.237 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -2.479 40.035 5.041 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -3.634 39.162 4.495 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 0.282 35.754 -11.123 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 1.010 36.248 -10.693 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 0.086 35.025 -10.493 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 5.387 34.640 -2.791 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 4.736 34.996 -2.155 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 5.982 34.094 -2.239 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 2.148 37.661 -2.637 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 1.554 38.447 -2.700 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 2.612 37.649 -3.484 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 3.441 35.644 -1.144 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 2.959 36.062 -1.886 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 3.405 36.316 -0.437 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 2.399 37.785 0.216 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 2.183 38.674 0.576 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 2.209 37.863 -0.740 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 -2.045 43.752 -0.766 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 -1.317 43.223 -1.118 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 -2.301 43.281 0.070 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -4.888 38.533 3.416 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -5.730 38.995 3.651 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -4.955 38.413 2.456 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 0.219 42.923 -3.923 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 1.037 42.682 -3.435 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 0.290 43.893 -4.039 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -1.799 45.382 -5.418 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -2.242 45.169 -4.570 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 -0.856 45.449 -5.182 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 2.829 36.100 -7.209 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 3.485 36.054 -6.479 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 2.405 35.220 -7.201 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -0.691 38.254 -10.607 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -0.654 37.334 -10.940 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 0.112 38.337 -10.064 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -0.661 47.999 -3.793 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -1.506 48.016 -3.301 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -0.836 48.555 -4.581 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 -4.845 38.508 8.609 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 -5.331 39.079 7.984 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 -5.451 38.423 9.374 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -0.897 39.330 7.133 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -0.801 40.102 6.540 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -1.721 38.908 6.835 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 4.322 40.941 5.052 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 3.597 41.388 4.543 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 5.129 41.217 4.606 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 2.867 35.934 2.253 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 2.976 35.126 1.720 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 2.673 36.634 1.592 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 1.132 34.500 6.438 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 1.575 34.747 7.271 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 1.521 35.115 5.773 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 4.656 35.913 6.768 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 4.480 36.835 6.479 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 4.728 35.412 5.929 1.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1493 5.551 34.387 8.824 1.00 0.00 WAT1 ATOM 5985 H1 TIP3 1493 5.125 33.575 8.522 1.00 0.00 WAT1 ATOM 5986 H2 TIP3 1493 5.387 35.025 8.095 1.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1494 5.952 36.102 10.908 1.00 0.00 WAT1 ATOM 5988 H1 TIP3 1494 5.828 35.392 10.236 1.00 0.00 WAT1 ATOM 5989 H2 TIP3 1494 6.903 36.206 10.967 1.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1495 -3.349 47.030 -6.928 1.00 0.00 WAT1 ATOM 5991 H1 TIP3 1495 -4.179 46.900 -6.421 1.00 0.00 WAT1 ATOM 5992 H2 TIP3 1495 -2.714 46.403 -6.508 1.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1496 -1.560 46.494 -0.639 1.00 0.00 WAT1 ATOM 5994 H1 TIP3 1496 -1.788 45.544 -0.543 1.00 0.00 WAT1 ATOM 5995 H2 TIP3 1496 -0.672 46.486 -1.016 1.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1497 -4.454 45.821 2.214 1.00 0.00 WAT1 ATOM 5997 H1 TIP3 1497 -4.241 46.451 2.942 1.00 0.00 WAT1 ATOM 5998 H2 TIP3 1497 -4.916 46.371 1.549 1.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1498 6.603 33.023 -0.844 1.00 0.00 WAT1 ATOM 6000 H1 TIP3 1498 6.257 32.134 -0.981 1.00 0.00 WAT1 ATOM 6001 H2 TIP3 1498 7.531 32.874 -0.545 1.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1499 -1.913 49.233 -5.929 1.00 0.00 WAT1 ATOM 6003 H1 TIP3 1499 -2.234 48.509 -6.497 1.00 0.00 WAT1 ATOM 6004 H2 TIP3 1499 -2.726 49.620 -5.562 1.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1500 1.875 37.367 -9.451 1.00 0.00 WAT1 ATOM 6006 H1 TIP3 1500 2.690 37.814 -9.696 1.00 0.00 WAT1 ATOM 6007 H2 TIP3 1500 2.090 36.934 -8.590 1.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1501 4.692 35.703 -5.217 1.00 0.00 WAT1 ATOM 6009 H1 TIP3 1501 4.845 35.233 -4.366 1.00 0.00 WAT1 ATOM 6010 H2 TIP3 1501 5.560 36.037 -5.459 1.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1502 2.481 35.597 8.552 1.00 0.00 WAT1 ATOM 6012 H1 TIP3 1502 3.252 35.652 7.948 1.00 0.00 WAT1 ATOM 6013 H2 TIP3 1502 2.781 36.065 9.363 1.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1503 3.842 38.395 6.006 1.00 0.00 WAT1 ATOM 6015 H1 TIP3 1503 3.709 38.588 6.960 1.00 0.00 WAT1 ATOM 6016 H2 TIP3 1503 4.028 39.273 5.609 1.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1504 2.432 38.516 12.627 1.00 0.00 WAT1 ATOM 6018 H1 TIP3 1504 3.231 38.738 13.110 1.00 0.00 WAT1 ATOM 6019 H2 TIP3 1504 2.743 37.918 11.909 1.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1505 0.723 38.338 9.027 1.00 0.00 WAT1 ATOM 6021 H1 TIP3 1505 0.113 38.731 8.356 1.00 0.00 WAT1 ATOM 6022 H2 TIP3 1505 0.804 37.411 8.759 1.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1506 3.509 37.158 10.535 1.00 0.00 WAT1 ATOM 6024 H1 TIP3 1506 4.400 36.796 10.752 1.00 0.00 WAT1 ATOM 6025 H2 TIP3 1506 3.689 37.856 9.866 1.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1507 2.262 36.402 4.878 1.00 0.00 WAT1 ATOM 6027 H1 TIP3 1507 2.739 37.200 5.189 1.00 0.00 WAT1 ATOM 6028 H2 TIP3 1507 2.321 36.451 3.901 1.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1508 -4.231 39.118 12.291 1.00 0.00 WAT1 ATOM 6030 H1 TIP3 1508 -3.478 38.634 12.692 1.00 0.00 WAT1 ATOM 6031 H2 TIP3 1508 -3.849 39.540 11.511 1.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1509 -4.392 34.823 10.264 1.00 0.00 WAT1 ATOM 6033 H1 TIP3 1509 -3.662 35.273 10.742 1.00 0.00 WAT1 ATOM 6034 H2 TIP3 1509 -4.108 33.878 10.227 1.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1510 -2.086 36.077 11.082 1.00 0.00 WAT1 ATOM 6036 H1 TIP3 1510 -1.981 36.746 11.791 1.00 0.00 WAT1 ATOM 6037 H2 TIP3 1510 -1.258 35.567 11.109 1.00 0.00 WAT1 END