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: -1635.95, 77.0497, 93.9207, 44.6529, 423.742, -265.494, -2010.25, 0.425289, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.115054E-03,0.473191,1.25675,42.0927,2.038441E-03,0 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 13, 0 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:52 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.546 -27.574 14.857 1.00 40.31 ATOM 2 CB MET 1 0.915 -27.214 12.838 1.00 51.12 ATOM 3 HB1 MET 1 1.312 -26.209 12.812 1.00 38.48 ATOM 4 HB2 MET 1 -0.008 -27.241 12.276 1.00 65.43 ATOM 5 CG MET 1 1.915 -28.139 12.162 1.00 45.22 ATOM 6 HG1 MET 1 2.146 -27.746 11.181 1.00 38.48 ATOM 7 HG2 MET 1 1.472 -29.119 12.061 1.00 32.12 ATOM 8 SD MET 1 3.445 -28.288 13.102 1.00 41.43 ATOM 9 CE MET 1 4.330 -29.497 12.125 1.00 70.32 ATOM 10 HE1 MET 1 4.470 -29.119 11.123 1.00 22.35 ATOM 11 HE2 MET 1 3.763 -30.415 12.088 1.00 62.02 ATOM 12 HE3 MET 1 5.294 -29.687 12.576 1.00 61.10 ATOM 13 C MET 1 -0.360 -26.598 14.919 1.00 21.14 ATOM 14 O MET 1 -1.571 -26.707 14.728 1.00 34.43 ATOM 15 N MET 1 0.086 -28.982 14.358 1.00 55.44 ATOM 16 HT1 MET 1 0.742 -29.648 13.902 1.00 38.48 ATOM 17 HT2 MET 1 -0.831 -29.034 13.874 1.00 38.48 ATOM 18 HT3 MET 1 -0.048 -29.272 15.350 1.00 38.48 ATOM 19 CA MET 1 0.623 -27.598 14.294 1.00 34.45 ATOM 20 N GLY 2 0.163 -25.624 15.662 1.00 64.45 ATOM 21 HN GLY 2 1.137 -25.571 15.765 1.00 38.48 ATOM 22 CA GLY 2 -0.688 -24.644 16.332 1.00 11.40 ATOM 23 HA1 GLY 2 -0.480 -24.679 17.392 1.00 38.48 ATOM 24 HA2 GLY 2 -1.724 -24.912 16.178 1.00 54.33 ATOM 25 C GLY 2 -0.473 -23.215 15.839 1.00 43.43 ATOM 26 O GLY 2 0.422 -22.513 16.314 1.00 21.44 ATOM 27 N HIS 3 -1.284 -22.781 14.875 1.00 61.24 ATOM 28 HN HIS 3 -1.939 -23.401 14.488 1.00 38.48 ATOM 29 CA HIS 3 -1.232 -21.397 14.389 1.00 74.13 ATOM 30 HA HIS 3 -0.204 -21.061 14.465 1.00 62.04 ATOM 31 CB HIS 3 -1.663 -21.321 12.918 1.00 64.21 ATOM 32 HB1 HIS 3 -1.727 -20.285 12.623 1.00 38.48 ATOM 33 HB2 HIS 3 -2.635 -21.781 12.810 1.00 61.40 ATOM 34 CG HIS 3 -0.715 -22.011 11.982 1.00 54.45 ATOM 35 ND1 HIS 3 -0.987 -23.224 11.388 1.00 33.35 ATOM 36 HD1 HIS 3 -1.810 -23.748 11.505 1.00 15.10 ATOM 37 CD2 HIS 3 0.514 -21.649 11.535 1.00 5.33 ATOM 38 HD2 HIS 3 1.049 -20.745 11.791 1.00 15.20 ATOM 39 CE1 HIS 3 0.026 -23.580 10.626 1.00 4.43 ATOM 40 HE1 HIS 3 0.088 -24.486 10.043 1.00 64.21 ATOM 41 NE2 HIS 3 0.947 -22.644 10.695 1.00 60.34 ATOM 42 HE2 HIS 3 1.847 -22.710 10.308 1.00 38.48 ATOM 43 C HIS 3 -2.106 -20.478 15.258 1.00 34.00 ATOM 44 O HIS 3 -3.277 -20.238 14.961 1.00 50.15 ATOM 45 N HIS 4 -1.521 -19.989 16.348 1.00 23.24 ATOM 46 HN HIS 4 -0.576 -20.197 16.507 1.00 38.48 ATOM 47 CA HIS 4 -2.240 -19.155 17.320 1.00 50.55 ATOM 48 HA HIS 4 -3.299 -19.221 17.107 1.00 65.03 ATOM 49 CB HIS 4 -1.981 -19.688 18.740 1.00 24.41 ATOM 50 HB1 HIS 4 -0.934 -19.563 18.980 1.00 38.48 ATOM 51 HB2 HIS 4 -2.224 -20.740 18.769 1.00 43.45 ATOM 52 CG HIS 4 -2.781 -19.010 19.810 1.00 10.54 ATOM 53 ND1 HIS 4 -4.037 -19.429 20.183 1.00 33.42 ATOM 54 HD1 HIS 4 -4.529 -20.188 19.794 1.00 15.14 ATOM 55 CD2 HIS 4 -2.491 -17.952 20.607 1.00 60.34 ATOM 56 HD2 HIS 4 -1.581 -17.369 20.593 1.00 74.10 ATOM 57 CE1 HIS 4 -4.487 -18.661 21.153 1.00 30.10 ATOM 58 HE1 HIS 4 -5.448 -18.756 21.636 1.00 23.52 ATOM 59 NE2 HIS 4 -3.570 -17.758 21.433 1.00 40.51 ATOM 60 HE2 HIS 4 -3.559 -17.217 22.251 1.00 38.48 ATOM 61 C HIS 4 -1.804 -17.686 17.214 1.00 43.43 ATOM 62 O HIS 4 -0.675 -17.338 17.563 1.00 3.43 ATOM 63 N HIS 5 -2.704 -16.823 16.740 1.00 2.44 ATOM 64 HN HIS 5 -3.605 -17.151 16.515 1.00 38.48 ATOM 65 CA HIS 5 -2.389 -15.399 16.540 1.00 2.14 ATOM 66 HA HIS 5 -1.457 -15.190 17.045 1.00 75.33 ATOM 67 CB HIS 5 -2.213 -15.101 15.045 1.00 1.53 ATOM 68 HB1 HIS 5 -1.990 -14.052 14.917 1.00 38.48 ATOM 69 HB2 HIS 5 -3.134 -15.331 14.526 1.00 53.22 ATOM 70 CG HIS 5 -1.113 -15.885 14.398 1.00 41.14 ATOM 71 ND1 HIS 5 -1.323 -16.770 13.361 1.00 11.23 ATOM 72 HD1 HIS 5 -2.189 -16.973 12.944 1.00 33.32 ATOM 73 CD2 HIS 5 0.219 -15.907 14.639 1.00 11.53 ATOM 74 HD2 HIS 5 0.745 -15.332 15.387 1.00 10.24 ATOM 75 CE1 HIS 5 -0.176 -17.301 12.998 1.00 2.25 ATOM 76 HE1 HIS 5 -0.037 -18.031 12.213 1.00 44.22 ATOM 77 NE2 HIS 5 0.773 -16.795 13.754 1.00 65.41 ATOM 78 HE2 HIS 5 1.734 -16.957 13.636 1.00 38.48 ATOM 79 C HIS 5 -3.472 -14.472 17.115 1.00 45.14 ATOM 80 O HIS 5 -4.578 -14.906 17.442 1.00 33.24 ATOM 81 N HIS 6 -3.134 -13.190 17.237 1.00 40.22 ATOM 82 HN HIS 6 -2.209 -12.922 17.032 1.00 38.48 ATOM 83 CA HIS 6 -4.085 -12.158 17.667 1.00 65.33 ATOM 84 HA HIS 6 -5.077 -12.588 17.656 1.00 13.21 ATOM 85 CB HIS 6 -3.755 -11.688 19.088 1.00 53.21 ATOM 86 HB1 HIS 6 -4.446 -10.904 19.369 1.00 38.48 ATOM 87 HB2 HIS 6 -2.749 -11.293 19.106 1.00 4.00 ATOM 88 CG HIS 6 -3.841 -12.774 20.117 1.00 61.54 ATOM 89 ND1 HIS 6 -2.742 -13.473 20.571 1.00 24.04 ATOM 90 HD1 HIS 6 -1.813 -13.345 20.275 1.00 24.44 ATOM 91 CD2 HIS 6 -4.904 -13.277 20.790 1.00 63.31 ATOM 92 HD2 HIS 6 -5.935 -12.964 20.692 1.00 42.14 ATOM 93 CE1 HIS 6 -3.125 -14.357 21.470 1.00 24.40 ATOM 94 HE1 HIS 6 -2.479 -15.045 21.995 1.00 40.32 ATOM 95 NE2 HIS 6 -4.428 -14.259 21.622 1.00 4.32 ATOM 96 HE2 HIS 6 -4.981 -14.868 22.159 1.00 38.48 ATOM 97 C HIS 6 -4.051 -10.964 16.700 1.00 13.02 ATOM 98 O HIS 6 -3.086 -10.789 15.954 1.00 11.25 ATOM 99 N HIS 7 -5.104 -10.147 16.708 1.00 72.13 ATOM 100 HN HIS 7 -5.842 -10.327 17.332 1.00 38.48 ATOM 101 CA HIS 7 -5.185 -8.978 15.817 1.00 73.31 ATOM 102 HA HIS 7 -4.213 -8.502 15.826 1.00 53.22 ATOM 103 CB HIS 7 -5.495 -9.418 14.372 1.00 64.11 ATOM 104 HB1 HIS 7 -4.586 -9.785 13.917 1.00 38.48 ATOM 105 HB2 HIS 7 -5.848 -8.566 13.809 1.00 12.01 ATOM 106 CG HIS 7 -6.532 -10.499 14.259 1.00 4.40 ATOM 107 ND1 HIS 7 -7.789 -10.416 14.823 1.00 3.03 ATOM 108 HD1 HIS 7 -8.138 -9.664 15.351 1.00 14.22 ATOM 109 CD2 HIS 7 -6.487 -11.701 13.634 1.00 70.11 ATOM 110 HD2 HIS 7 -5.652 -12.102 13.077 1.00 24.14 ATOM 111 CE1 HIS 7 -8.462 -11.519 14.556 1.00 2.11 ATOM 112 HE1 HIS 7 -9.473 -11.733 14.869 1.00 13.30 ATOM 113 NE2 HIS 7 -7.698 -12.309 13.838 1.00 63.02 ATOM 114 HE2 HIS 7 -7.917 -13.233 13.597 1.00 38.48 ATOM 115 C HIS 7 -6.222 -7.944 16.298 1.00 22.55 ATOM 116 O HIS 7 -7.412 -8.240 16.394 1.00 62.30 ATOM 117 N HIS 8 -5.760 -6.725 16.593 1.00 62.34 ATOM 118 HN HIS 8 -4.796 -6.552 16.519 1.00 38.48 ATOM 119 CA HIS 8 -6.646 -5.633 17.031 1.00 72.32 ATOM 120 HA HIS 8 -7.634 -5.839 16.641 1.00 54.22 ATOM 121 CB HIS 8 -6.727 -5.579 18.564 1.00 33.03 ATOM 122 HB1 HIS 8 -7.068 -4.598 18.868 1.00 38.48 ATOM 123 HB2 HIS 8 -5.744 -5.755 18.977 1.00 3.34 ATOM 124 CG HIS 8 -7.660 -6.591 19.146 1.00 54.41 ATOM 125 ND1 HIS 8 -9.021 -6.397 19.207 1.00 44.25 ATOM 126 HD1 HIS 8 -9.500 -5.596 18.898 1.00 43.24 ATOM 127 CD2 HIS 8 -7.433 -7.814 19.682 1.00 23.31 ATOM 128 HD2 HIS 8 -6.472 -8.297 19.801 1.00 22.30 ATOM 129 CE1 HIS 8 -9.590 -7.451 19.751 1.00 20.32 ATOM 130 HE1 HIS 8 -10.650 -7.581 19.915 1.00 35.43 ATOM 131 NE2 HIS 8 -8.652 -8.327 20.047 1.00 23.15 ATOM 132 HE2 HIS 8 -8.821 -9.264 20.287 1.00 38.48 ATOM 133 C HIS 8 -6.194 -4.268 16.491 1.00 44.43 ATOM 134 O HIS 8 -5.000 -4.010 16.325 1.00 4.22 ATOM 135 N SER 9 -7.166 -3.402 16.221 1.00 52.23 ATOM 136 HN SER 9 -8.097 -3.681 16.354 1.00 38.48 ATOM 137 CA SER 9 -6.900 -2.044 15.727 1.00 72.54 ATOM 138 HA SER 9 -5.988 -1.695 16.193 1.00 52.33 ATOM 139 CB SER 9 -6.706 -2.052 14.199 1.00 31.13 ATOM 140 HB1 SER 9 -5.853 -2.666 13.952 1.00 38.48 ATOM 141 HB2 SER 9 -6.532 -1.044 13.856 1.00 1.43 ATOM 142 OG SER 9 -7.848 -2.568 13.523 1.00 41.33 ATOM 143 HG SER 9 -7.573 -2.956 12.678 1.00 22.32 ATOM 144 C SER 9 -8.040 -1.084 16.106 1.00 2.14 ATOM 145 O SER 9 -9.116 -1.515 16.531 1.00 70.35 ATOM 146 N HIS 10 -7.789 0.217 15.971 1.00 13.34 ATOM 147 HN HIS 10 -6.892 0.498 15.691 1.00 38.48 ATOM 148 CA HIS 10 -8.805 1.249 16.229 1.00 1.42 ATOM 149 HA HIS 10 -9.779 0.785 16.154 1.00 13.22 ATOM 150 CB HIS 10 -8.643 1.841 17.637 1.00 51.21 ATOM 151 HB1 HIS 10 -9.281 2.710 17.729 1.00 38.48 ATOM 152 HB2 HIS 10 -7.615 2.146 17.775 1.00 1.42 ATOM 153 CG HIS 10 -8.992 0.898 18.747 1.00 43.54 ATOM 154 ND1 HIS 10 -8.052 0.332 19.580 1.00 42.41 ATOM 155 HD1 HIS 10 -7.082 0.471 19.529 1.00 31.13 ATOM 156 CD2 HIS 10 -10.191 0.447 19.183 1.00 45.40 ATOM 157 HD2 HIS 10 -11.158 0.684 18.762 1.00 63.44 ATOM 158 CE1 HIS 10 -8.654 -0.423 20.473 1.00 0.25 ATOM 159 HE1 HIS 10 -8.168 -0.987 21.255 1.00 23.04 ATOM 160 NE2 HIS 10 -9.949 -0.369 20.255 1.00 30.35 ATOM 161 HE2 HIS 10 -10.617 -0.929 20.703 1.00 38.48 ATOM 162 C HIS 10 -8.719 2.384 15.202 1.00 31.34 ATOM 163 O HIS 10 -7.670 2.611 14.597 1.00 51.32 ATOM 164 N MET 11 -9.829 3.096 15.014 1.00 51.41 ATOM 165 HN MET 11 -10.649 2.828 15.484 1.00 38.48 ATOM 166 CA MET 11 -9.859 4.265 14.127 1.00 65.02 ATOM 167 HA MET 11 -8.841 4.617 14.019 1.00 10.42 ATOM 168 CB MET 11 -10.392 3.883 12.736 1.00 74.41 ATOM 169 HB1 MET 11 -9.739 3.134 12.311 1.00 38.48 ATOM 170 HB2 MET 11 -10.368 4.759 12.104 1.00 2.20 ATOM 171 CG MET 11 -11.811 3.333 12.728 1.00 70.33 ATOM 172 HG1 MET 11 -12.470 4.059 13.181 1.00 38.48 ATOM 173 HG2 MET 11 -11.833 2.418 13.302 1.00 25.22 ATOM 174 SD MET 11 -12.400 2.984 11.060 1.00 65.35 ATOM 175 CE MET 11 -14.086 2.474 11.392 1.00 53.25 ATOM 176 HE1 MET 11 -14.082 1.594 12.016 1.00 61.40 ATOM 177 HE2 MET 11 -14.584 2.254 10.459 1.00 32.13 ATOM 178 HE3 MET 11 -14.607 3.271 11.901 1.00 63.12 ATOM 179 C MET 11 -10.700 5.406 14.730 1.00 50.25 ATOM 180 O MET 11 -11.869 5.221 15.075 1.00 44.12 ATOM 181 N ALA 12 -10.090 6.583 14.863 1.00 10.42 ATOM 182 HN ALA 12 -9.151 6.663 14.591 1.00 38.48 ATOM 183 CA ALA 12 -10.772 7.759 15.415 1.00 11.45 ATOM 184 HA ALA 12 -11.825 7.525 15.509 1.00 61.30 ATOM 185 CB ALA 12 -10.234 8.075 16.808 1.00 13.14 ATOM 186 HB1 ALA 12 -10.373 7.218 17.451 1.00 15.45 ATOM 187 HB2 ALA 12 -10.764 8.923 17.220 1.00 14.04 ATOM 188 HB3 ALA 12 -9.179 8.307 16.745 1.00 1.44 ATOM 189 C ALA 12 -10.619 8.976 14.491 1.00 61.21 ATOM 190 O ALA 12 -9.540 9.229 13.951 1.00 34.32 ATOM 191 N LYS 13 -11.708 9.719 14.306 1.00 3.13 ATOM 192 HN LYS 13 -12.538 9.464 14.765 1.00 38.48 ATOM 193 CA LYS 13 -11.709 10.906 13.442 1.00 61.41 ATOM 194 HA LYS 13 -10.821 10.877 12.825 1.00 21.14 ATOM 195 CB LYS 13 -12.947 10.888 12.534 1.00 12.33 ATOM 196 HB1 LYS 13 -12.933 11.772 11.912 1.00 38.48 ATOM 197 HB2 LYS 13 -13.832 10.914 13.156 1.00 75.01 ATOM 198 CG LYS 13 -13.036 9.665 11.626 1.00 41.44 ATOM 199 HG1 LYS 13 -13.034 8.772 12.237 1.00 38.48 ATOM 200 HG2 LYS 13 -12.179 9.654 10.967 1.00 34.52 ATOM 201 CD LYS 13 -14.306 9.686 10.778 1.00 3.23 ATOM 202 HD1 LYS 13 -14.302 10.575 10.163 1.00 38.48 ATOM 203 HD2 LYS 13 -15.165 9.706 11.434 1.00 44.43 ATOM 204 CE LYS 13 -14.406 8.463 9.874 1.00 11.41 ATOM 205 HE1 LYS 13 -15.336 8.512 9.324 1.00 38.48 ATOM 206 HE2 LYS 13 -14.401 7.574 10.487 1.00 75.31 ATOM 207 NZ LYS 13 -13.278 8.387 8.908 1.00 33.41 ATOM 208 HZ1 LYS 13 -13.390 7.560 8.290 1.00 22.21 ATOM 209 HZ2 LYS 13 -12.373 8.302 9.415 1.00 30.52 ATOM 210 HZ3 LYS 13 -13.249 9.245 8.319 1.00 11.22 ATOM 211 C LYS 13 -11.701 12.202 14.271 1.00 20.21 ATOM 212 O LYS 13 -12.190 12.226 15.404 1.00 53.24 ATOM 213 N PRO 14 -11.133 13.298 13.735 1.00 62.14 ATOM 214 CA PRO 14 -11.179 14.611 14.401 1.00 13.42 ATOM 215 HA PRO 14 -10.873 14.539 15.436 1.00 21.13 ATOM 216 CB PRO 14 -10.147 15.433 13.615 1.00 35.53 ATOM 217 HB1 PRO 14 -9.180 15.350 14.091 1.00 38.48 ATOM 218 HB2 PRO 14 -10.449 16.472 13.584 1.00 10.01 ATOM 219 CG PRO 14 -10.136 14.821 12.253 1.00 71.40 ATOM 220 HG1 PRO 14 -9.174 14.977 11.785 1.00 38.48 ATOM 221 HG2 PRO 14 -10.921 15.256 11.648 1.00 43.11 ATOM 222 CD PRO 14 -10.387 13.348 12.458 1.00 11.22 ATOM 223 HD1 PRO 14 -9.452 12.811 12.538 1.00 38.48 ATOM 224 HD2 PRO 14 -10.983 12.949 11.647 1.00 2.34 ATOM 225 C PRO 14 -12.577 15.262 14.329 1.00 32.45 ATOM 226 O PRO 14 -13.030 15.670 13.257 1.00 64.21 ATOM 227 N THR 15 -13.264 15.342 15.470 1.00 63.21 ATOM 228 HN THR 15 -12.850 15.018 16.299 1.00 38.48 ATOM 229 CA THR 15 -14.619 15.920 15.516 1.00 4.52 ATOM 230 HA THR 15 -15.074 15.773 14.545 1.00 25.00 ATOM 231 CB THR 15 -15.517 15.224 16.572 1.00 2.03 ATOM 232 HB THR 15 -15.612 14.181 16.306 1.00 12.23 ATOM 233 OG1 THR 15 -16.826 15.820 16.577 1.00 15.32 ATOM 234 HG1 THR 15 -17.336 15.463 17.313 1.00 52.54 ATOM 235 CG2 THR 15 -14.908 15.317 17.970 1.00 65.21 ATOM 236 HG21 THR 15 -13.922 14.873 17.966 1.00 14.41 ATOM 237 HG22 THR 15 -15.535 14.789 18.673 1.00 40.02 ATOM 238 HG23 THR 15 -14.834 16.355 18.264 1.00 55.10 ATOM 239 C THR 15 -14.581 17.423 15.813 1.00 31.31 ATOM 240 O THR 15 -13.664 17.916 16.475 1.00 73.22 ATOM 241 N ALA 16 -15.581 18.146 15.316 1.00 15.34 ATOM 242 HN ALA 16 -16.279 17.693 14.801 1.00 38.48 ATOM 243 CA ALA 16 -15.680 19.591 15.527 1.00 31.21 ATOM 244 HA ALA 16 -14.700 19.958 15.801 1.00 32.31 ATOM 245 CB ALA 16 -16.099 20.281 14.234 1.00 34.33 ATOM 246 HB1 ALA 16 -17.079 19.931 13.936 1.00 11.41 ATOM 247 HB2 ALA 16 -15.387 20.053 13.456 1.00 3.03 ATOM 248 HB3 ALA 16 -16.130 21.351 14.389 1.00 21.23 ATOM 249 C ALA 16 -16.667 19.916 16.655 1.00 24.43 ATOM 250 O ALA 16 -17.878 19.736 16.511 1.00 73.11 ATOM 251 N ARG 17 -16.143 20.385 17.782 1.00 10.11 ATOM 252 HN ARG 17 -15.170 20.509 17.840 1.00 38.48 ATOM 253 CA ARG 17 -16.979 20.715 18.940 1.00 65.02 ATOM 254 HA ARG 17 -17.685 19.906 19.077 1.00 74.23 ATOM 255 CB ARG 17 -16.106 20.829 20.200 1.00 3.30 ATOM 256 HB1 ARG 17 -15.428 21.663 20.078 1.00 38.48 ATOM 257 HB2 ARG 17 -15.525 19.923 20.299 1.00 0.14 ATOM 258 CG ARG 17 -16.889 21.038 21.496 1.00 11.44 ATOM 259 HG1 ARG 17 -17.425 21.977 21.437 1.00 38.48 ATOM 260 HG2 ARG 17 -16.193 21.073 22.321 1.00 62.21 ATOM 261 CD ARG 17 -17.886 19.911 21.743 1.00 1.13 ATOM 262 HD1 ARG 17 -17.360 18.968 21.698 1.00 38.48 ATOM 263 HD2 ARG 17 -18.639 19.938 20.968 1.00 14.52 ATOM 264 NE ARG 17 -18.543 20.025 23.043 1.00 61.43 ATOM 265 HE ARG 17 -18.090 20.545 23.736 1.00 62.30 ATOM 266 CZ ARG 17 -19.672 19.443 23.342 1.00 63.02 ATOM 267 NH1 ARG 17 -20.332 18.791 22.442 1.00 73.43 ATOM 268 HH11 ARG 17 -19.981 18.734 21.509 1.00 73.41 ATOM 269 HH12 ARG 17 -21.189 18.345 22.680 1.00 71.25 ATOM 270 NH2 ARG 17 -20.153 19.530 24.541 1.00 22.31 ATOM 271 HH21 ARG 17 -19.660 20.041 25.239 1.00 75.22 ATOM 272 HH22 ARG 17 -21.014 19.079 24.765 1.00 31.31 ATOM 273 C ARG 17 -17.760 22.021 18.711 1.00 55.04 ATOM 274 O ARG 17 -17.183 23.110 18.710 1.00 51.11 ATOM 275 N GLY 18 -19.071 21.903 18.505 1.00 71.35 ATOM 276 HN GLY 18 -19.474 21.008 18.491 1.00 38.48 ATOM 277 CA GLY 18 -19.913 23.076 18.292 1.00 54.12 ATOM 278 HA1 GLY 18 -19.291 23.961 18.267 1.00 38.48 ATOM 279 HA2 GLY 18 -20.599 23.161 19.120 1.00 53.41 ATOM 280 C GLY 18 -20.713 23.000 16.995 1.00 12.11 ATOM 281 O GLY 18 -21.811 22.441 16.972 1.00 35.22 ATOM 282 N GLU 19 -20.162 23.570 15.917 1.00 13.32 ATOM 283 HN GLU 19 -19.296 24.016 16.014 1.00 38.48 ATOM 284 CA GLU 19 -20.810 23.560 14.591 1.00 73.11 ATOM 285 HA GLU 19 -20.125 24.027 13.899 1.00 13.34 ATOM 286 CB GLU 19 -21.069 22.116 14.122 1.00 40.15 ATOM 287 HB1 GLU 19 -21.558 22.149 13.158 1.00 38.48 ATOM 288 HB2 GLU 19 -21.729 21.631 14.830 1.00 21.55 ATOM 289 CG GLU 19 -19.804 21.273 13.987 1.00 42.24 ATOM 290 HG1 GLU 19 -19.268 21.292 14.927 1.00 38.48 ATOM 291 HG2 GLU 19 -19.183 21.703 13.213 1.00 63.33 ATOM 292 CD GLU 19 -20.103 19.829 13.622 1.00 55.11 ATOM 293 OE1 GLU 19 -20.226 19.522 12.415 1.00 42.42 ATOM 294 OE2 GLU 19 -20.229 18.992 14.541 1.00 42.43 ATOM 295 C GLU 19 -22.126 24.360 14.576 1.00 64.11 ATOM 296 O GLU 19 -22.900 24.285 13.616 1.00 22.42 ATOM 297 N ALA 20 -22.367 25.138 15.628 1.00 42.32 ATOM 298 HN ALA 20 -21.694 25.197 16.339 1.00 38.48 ATOM 299 CA ALA 20 -23.602 25.916 15.748 1.00 33.32 ATOM 300 HA ALA 20 -24.428 25.260 15.499 1.00 54.13 ATOM 301 CB ALA 20 -23.797 26.383 17.189 1.00 34.14 ATOM 302 HB1 ALA 20 -22.983 27.035 17.472 1.00 63.41 ATOM 303 HB2 ALA 20 -23.816 25.526 17.849 1.00 14.15 ATOM 304 HB3 ALA 20 -24.731 26.920 17.272 1.00 2.25 ATOM 305 C ALA 20 -23.616 27.110 14.781 1.00 44.22 ATOM 306 O ALA 20 -23.153 28.204 15.113 1.00 21.34 ATOM 307 N GLY 21 -24.126 26.881 13.576 1.00 34.34 ATOM 308 HN GLY 21 -24.448 25.980 13.360 1.00 38.48 ATOM 309 CA GLY 21 -24.204 27.940 12.576 1.00 14.40 ATOM 310 HA1 GLY 21 -23.214 28.121 12.183 1.00 38.48 ATOM 311 HA2 GLY 21 -24.558 28.844 13.051 1.00 1.00 ATOM 312 C GLY 21 -25.136 27.598 11.419 1.00 73.12 ATOM 313 O GLY 21 -26.359 27.675 11.550 1.00 51.20 ATOM 314 N SER 22 -24.560 27.212 10.283 1.00 53.24 ATOM 315 HN SER 22 -23.585 27.152 10.246 1.00 38.48 ATOM 316 CA SER 22 -25.347 26.875 9.085 1.00 2.03 ATOM 317 HA SER 22 -26.303 26.493 9.413 1.00 4.34 ATOM 318 CB SER 22 -25.585 28.130 8.227 1.00 2.15 ATOM 319 HB1 SER 22 -26.091 27.849 7.314 1.00 38.48 ATOM 320 HB2 SER 22 -24.635 28.585 7.984 1.00 60.32 ATOM 321 OG SER 22 -26.381 29.087 8.909 1.00 53.35 ATOM 322 HG SER 22 -25.807 29.705 9.384 1.00 14.01 ATOM 323 C SER 22 -24.660 25.800 8.234 1.00 51.01 ATOM 324 O SER 22 -23.519 25.415 8.496 1.00 21.04 ATOM 325 N ARG 23 -25.374 25.325 7.213 1.00 21.21 ATOM 326 HN ARG 23 -26.304 25.627 7.113 1.00 38.48 ATOM 327 CA ARG 23 -24.848 24.351 6.248 1.00 63.44 ATOM 328 HA ARG 23 -24.826 23.384 6.727 1.00 33.14 ATOM 329 CB ARG 23 -25.794 24.293 5.044 1.00 51.14 ATOM 330 HB1 ARG 23 -25.946 25.299 4.679 1.00 38.48 ATOM 331 HB2 ARG 23 -26.745 23.895 5.371 1.00 24.55 ATOM 332 CG ARG 23 -25.290 23.435 3.887 1.00 11.43 ATOM 333 HG1 ARG 23 -25.465 22.392 4.118 1.00 38.48 ATOM 334 HG2 ARG 23 -24.231 23.604 3.756 1.00 75.24 ATOM 335 CD ARG 23 -26.009 23.786 2.591 1.00 2.45 ATOM 336 HD1 ARG 23 -27.061 23.554 2.698 1.00 38.48 ATOM 337 HD2 ARG 23 -25.589 23.198 1.787 1.00 51.44 ATOM 338 NE ARG 23 -25.861 25.206 2.273 1.00 43.30 ATOM 339 HE ARG 23 -25.131 25.692 2.709 1.00 1.22 ATOM 340 CZ ARG 23 -26.645 25.879 1.481 1.00 62.40 ATOM 341 NH1 ARG 23 -27.614 25.301 0.847 1.00 63.13 ATOM 342 HH11 ARG 23 -27.771 24.322 0.961 1.00 51.13 ATOM 343 HH12 ARG 23 -28.203 25.836 0.251 1.00 13.21 ATOM 344 NH2 ARG 23 -26.451 27.145 1.327 1.00 22.14 ATOM 345 HH21 ARG 23 -25.701 27.593 1.818 1.00 74.04 ATOM 346 HH22 ARG 23 -27.047 27.671 0.726 1.00 11.52 ATOM 347 C ARG 23 -23.428 24.712 5.770 1.00 55.50 ATOM 348 O ARG 23 -22.483 23.941 5.951 1.00 31.22 ATOM 349 N ASP 24 -23.298 25.887 5.156 1.00 55.43 ATOM 350 HN ASP 24 -24.092 26.455 5.049 1.00 38.48 ATOM 351 CA ASP 24 -22.018 26.363 4.620 1.00 10.22 ATOM 352 HA ASP 24 -21.721 25.687 3.829 1.00 44.34 ATOM 353 CB ASP 24 -22.207 27.764 4.023 1.00 55.23 ATOM 354 HB1 ASP 24 -21.269 28.102 3.604 1.00 38.48 ATOM 355 HB2 ASP 24 -22.515 28.446 4.804 1.00 13.31 ATOM 356 CG ASP 24 -23.265 27.780 2.927 1.00 42.23 ATOM 357 OD1 ASP 24 -24.446 27.502 3.230 1.00 75.12 ATOM 358 OD2 ASP 24 -22.924 28.059 1.760 1.00 3.02 ATOM 359 C ASP 24 -20.916 26.373 5.698 1.00 41.43 ATOM 360 O ASP 24 -19.775 25.985 5.438 1.00 23.03 ATOM 361 N GLU 25 -21.278 26.799 6.911 1.00 41.10 ATOM 362 HN GLU 25 -22.187 27.133 7.041 1.00 38.48 ATOM 363 CA GLU 25 -20.353 26.790 8.055 1.00 52.45 ATOM 364 HA GLU 25 -19.513 27.425 7.804 1.00 52.30 ATOM 365 CB GLU 25 -21.046 27.356 9.310 1.00 45.03 ATOM 366 HB1 GLU 25 -20.434 27.137 10.176 1.00 38.48 ATOM 367 HB2 GLU 25 -22.003 26.865 9.429 1.00 44.31 ATOM 368 CG GLU 25 -21.290 28.862 9.269 1.00 75.30 ATOM 369 HG1 GLU 25 -21.885 29.142 10.128 1.00 38.48 ATOM 370 HG2 GLU 25 -21.834 29.103 8.366 1.00 50.52 ATOM 371 CD GLU 25 -19.994 29.662 9.291 1.00 22.32 ATOM 372 OE1 GLU 25 -19.507 30.052 8.213 1.00 23.54 ATOM 373 OE2 GLU 25 -19.444 29.890 10.392 1.00 40.14 ATOM 374 C GLU 25 -19.827 25.375 8.345 1.00 52.13 ATOM 375 O GLU 25 -18.622 25.171 8.511 1.00 14.52 ATOM 376 N ARG 26 -20.735 24.395 8.393 1.00 53.15 ATOM 377 HN ARG 26 -21.679 24.608 8.234 1.00 38.48 ATOM 378 CA ARG 26 -20.346 23.009 8.675 1.00 40.10 ATOM 379 HA ARG 26 -19.714 23.028 9.552 1.00 41.12 ATOM 380 CB ARG 26 -21.578 22.145 8.985 1.00 41.11 ATOM 381 HB1 ARG 26 -21.253 21.136 9.199 1.00 38.48 ATOM 382 HB2 ARG 26 -22.221 22.129 8.114 1.00 23.30 ATOM 383 CG ARG 26 -22.393 22.651 10.175 1.00 10.04 ATOM 384 HG1 ARG 26 -22.917 23.552 9.882 1.00 38.48 ATOM 385 HG2 ARG 26 -21.719 22.879 10.988 1.00 23.42 ATOM 386 CD ARG 26 -23.413 21.625 10.659 1.00 73.23 ATOM 387 HD1 ARG 26 -24.012 21.304 9.817 1.00 38.48 ATOM 388 HD2 ARG 26 -24.053 22.091 11.395 1.00 60.43 ATOM 389 NE ARG 26 -22.775 20.454 11.263 1.00 3.21 ATOM 390 HE ARG 26 -21.795 20.439 11.304 1.00 32.35 ATOM 391 CZ ARG 26 -23.426 19.440 11.768 1.00 40.34 ATOM 392 NH1 ARG 26 -24.720 19.402 11.741 1.00 31.05 ATOM 393 HH11 ARG 26 -25.233 20.153 11.333 1.00 52.44 ATOM 394 HH12 ARG 26 -25.203 18.619 12.128 1.00 24.03 ATOM 395 NH2 ARG 26 -22.771 18.466 12.312 1.00 34.11 ATOM 396 HH21 ARG 26 -21.772 18.499 12.346 1.00 44.21 ATOM 397 HH22 ARG 26 -23.259 17.687 12.698 1.00 10.21 ATOM 398 C ARG 26 -19.533 22.407 7.516 1.00 42.52 ATOM 399 O ARG 26 -18.628 21.603 7.736 1.00 42.32 ATOM 400 N ARG 27 -19.855 22.804 6.283 1.00 53.24 ATOM 401 HN ARG 27 -20.642 23.374 6.156 1.00 38.48 ATOM 402 CA ARG 27 -19.056 22.410 5.113 1.00 65.44 ATOM 403 HA ARG 27 -19.067 21.331 5.051 1.00 24.11 ATOM 404 CB ARG 27 -19.654 22.993 3.820 1.00 0.24 ATOM 405 HB1 ARG 27 -18.950 22.840 3.013 1.00 38.48 ATOM 406 HB2 ARG 27 -19.802 24.055 3.954 1.00 53.34 ATOM 407 CG ARG 27 -20.989 22.376 3.407 1.00 30.13 ATOM 408 HG1 ARG 27 -21.725 22.584 4.172 1.00 38.48 ATOM 409 HG2 ARG 27 -20.866 21.308 3.307 1.00 24.32 ATOM 410 CD ARG 27 -21.485 22.941 2.075 1.00 22.51 ATOM 411 HD1 ARG 27 -20.689 22.862 1.349 1.00 38.48 ATOM 412 HD2 ARG 27 -21.742 23.981 2.215 1.00 62.25 ATOM 413 NE ARG 27 -22.660 22.228 1.576 1.00 40.43 ATOM 414 HE ARG 27 -23.146 21.658 2.207 1.00 13.14 ATOM 415 CZ ARG 27 -23.091 22.283 0.342 1.00 14.33 ATOM 416 NH1 ARG 27 -22.485 23.008 -0.546 1.00 45.23 ATOM 417 HH11 ARG 27 -21.680 23.536 -0.297 1.00 15.12 ATOM 418 HH12 ARG 27 -22.826 23.033 -1.485 1.00 51.35 ATOM 419 NH2 ARG 27 -24.132 21.602 0.002 1.00 35.23 ATOM 420 HH21 ARG 27 -24.600 21.042 0.682 1.00 24.32 ATOM 421 HH22 ARG 27 -24.463 21.632 -0.939 1.00 74.13 ATOM 422 C ARG 27 -17.601 22.884 5.263 1.00 51.34 ATOM 423 O ARG 27 -16.655 22.134 5.006 1.00 25.34 ATOM 424 N ALA 28 -17.439 24.134 5.697 1.00 73.03 ATOM 425 HN ALA 28 -18.236 24.672 5.902 1.00 38.48 ATOM 426 CA ALA 28 -16.116 24.735 5.878 1.00 20.34 ATOM 427 HA ALA 28 -15.611 24.719 4.922 1.00 71.24 ATOM 428 CB ALA 28 -16.259 26.192 6.309 1.00 73.22 ATOM 429 HB1 ALA 28 -15.282 26.656 6.351 1.00 61.22 ATOM 430 HB2 ALA 28 -16.719 26.237 7.285 1.00 13.20 ATOM 431 HB3 ALA 28 -16.876 26.721 5.597 1.00 44.44 ATOM 432 C ALA 28 -15.263 23.962 6.899 1.00 31.44 ATOM 433 O ALA 28 -14.106 23.635 6.636 1.00 20.15 ATOM 434 N LEU 29 -15.842 23.666 8.062 1.00 3.04 ATOM 435 HN LEU 29 -16.778 23.923 8.209 1.00 38.48 ATOM 436 CA LEU 29 -15.107 22.978 9.134 1.00 72.22 ATOM 437 HA LEU 29 -14.115 23.411 9.160 1.00 13.14 ATOM 438 CB LEU 29 -15.778 23.241 10.499 1.00 43.03 ATOM 439 HB1 LEU 29 -15.659 24.292 10.728 1.00 38.48 ATOM 440 HB2 LEU 29 -15.246 22.672 11.251 1.00 20.31 ATOM 441 CG LEU 29 -17.279 22.895 10.605 1.00 4.34 ATOM 442 HG LEU 29 -17.756 23.139 9.666 1.00 5.31 ATOM 443 CD1 LEU 29 -17.500 21.403 10.852 1.00 71.05 ATOM 444 HD11 LEU 29 -18.560 21.200 10.914 1.00 14.32 ATOM 445 HD12 LEU 29 -17.024 21.114 11.777 1.00 71.23 ATOM 446 HD13 LEU 29 -17.075 20.835 10.037 1.00 45.14 ATOM 447 CD2 LEU 29 -17.950 23.732 11.695 1.00 62.41 ATOM 448 HD21 LEU 29 -17.476 23.538 12.647 1.00 51.22 ATOM 449 HD22 LEU 29 -18.997 23.473 11.755 1.00 62.14 ATOM 450 HD23 LEU 29 -17.856 24.782 11.454 1.00 63.20 ATOM 451 C LEU 29 -14.949 21.468 8.867 1.00 75.03 ATOM 452 O LEU 29 -14.055 20.826 9.421 1.00 3.35 ATOM 453 N ALA 30 -15.814 20.906 8.020 1.00 30.43 ATOM 454 HN ALA 30 -16.548 21.448 7.659 1.00 38.48 ATOM 455 CA ALA 30 -15.710 19.490 7.632 1.00 45.22 ATOM 456 HA ALA 30 -15.542 18.912 8.532 1.00 34.02 ATOM 457 CB ALA 30 -17.015 19.013 7.003 1.00 10.13 ATOM 458 HB1 ALA 30 -17.837 19.216 7.677 1.00 71.35 ATOM 459 HB2 ALA 30 -16.959 17.951 6.817 1.00 31.43 ATOM 460 HB3 ALA 30 -17.179 19.534 6.071 1.00 64.11 ATOM 461 C ALA 30 -14.537 19.254 6.666 1.00 24.41 ATOM 462 O ALA 30 -13.750 18.320 6.837 1.00 61.34 ATOM 463 N MET 31 -14.436 20.105 5.645 1.00 64.12 ATOM 464 HN MET 31 -15.138 20.783 5.522 1.00 38.48 ATOM 465 CA MET 31 -13.313 20.058 4.695 1.00 54.22 ATOM 466 HA MET 31 -13.067 19.020 4.516 1.00 0.02 ATOM 467 CB MET 31 -13.723 20.712 3.368 1.00 42.23 ATOM 468 HB1 MET 31 -12.855 20.777 2.727 1.00 38.48 ATOM 469 HB2 MET 31 -14.084 21.711 3.570 1.00 64.22 ATOM 470 CG MET 31 -14.812 19.955 2.619 1.00 42.43 ATOM 471 HG1 MET 31 -15.158 20.565 1.796 1.00 38.48 ATOM 472 HG2 MET 31 -15.634 19.769 3.295 1.00 52.20 ATOM 473 SD MET 31 -14.234 18.374 1.965 1.00 63.13 ATOM 474 CE MET 31 -13.009 18.918 0.772 1.00 54.31 ATOM 475 HE1 MET 31 -12.576 18.057 0.285 1.00 73.03 ATOM 476 HE2 MET 31 -12.231 19.474 1.277 1.00 13.04 ATOM 477 HE3 MET 31 -13.481 19.548 0.033 1.00 34.50 ATOM 478 C MET 31 -12.079 20.775 5.263 1.00 2.45 ATOM 479 O MET 31 -10.978 20.666 4.721 1.00 2.41 ATOM 480 N LYS 32 -12.291 21.505 6.357 1.00 73.12 ATOM 481 HN LYS 32 -13.192 21.506 6.744 1.00 38.48 ATOM 482 CA LYS 32 -11.254 22.317 7.010 1.00 20.13 ATOM 483 HA LYS 32 -11.714 22.759 7.883 1.00 34.24 ATOM 484 CB LYS 32 -10.063 21.466 7.479 1.00 42.44 ATOM 485 HB1 LYS 32 -9.322 22.121 7.918 1.00 38.48 ATOM 486 HB2 LYS 32 -9.626 20.975 6.620 1.00 32.11 ATOM 487 CG LYS 32 -10.426 20.397 8.509 1.00 1.24 ATOM 488 HG1 LYS 32 -10.853 19.547 7.995 1.00 38.48 ATOM 489 HG2 LYS 32 -11.153 20.804 9.197 1.00 34.54 ATOM 490 CD LYS 32 -9.202 19.934 9.300 1.00 60.44 ATOM 491 HD1 LYS 32 -9.501 19.145 9.977 1.00 38.48 ATOM 492 HD2 LYS 32 -8.818 20.768 9.870 1.00 41.01 ATOM 493 CE LYS 32 -8.094 19.413 8.394 1.00 13.33 ATOM 494 HE1 LYS 32 -7.908 20.140 7.618 1.00 38.48 ATOM 495 HE2 LYS 32 -8.414 18.483 7.948 1.00 1.41 ATOM 496 NZ LYS 32 -6.834 19.178 9.145 1.00 15.51 ATOM 497 HZ1 LYS 32 -6.090 18.832 8.505 1.00 74.24 ATOM 498 HZ2 LYS 32 -6.986 18.472 9.891 1.00 4.34 ATOM 499 HZ3 LYS 32 -6.510 20.064 9.585 1.00 11.30 ATOM 500 C LYS 32 -10.766 23.464 6.111 1.00 55.44 ATOM 501 O LYS 32 -9.769 23.339 5.396 1.00 63.12 ATOM 502 N ILE 33 -11.502 24.571 6.137 1.00 65.41 ATOM 503 HN ILE 33 -12.344 24.564 6.639 1.00 38.48 ATOM 504 CA ILE 33 -11.104 25.794 5.437 1.00 44.44 ATOM 505 HA ILE 33 -10.472 25.515 4.602 1.00 14.23 ATOM 506 CB ILE 33 -12.344 26.546 4.883 1.00 42.22 ATOM 507 HB ILE 33 -12.995 26.772 5.716 1.00 25.41 ATOM 508 CG1 ILE 33 -13.108 25.660 3.882 1.00 25.52 ATOM 509 HG11 ILE 33 -13.976 26.198 3.526 1.00 38.48 ATOM 510 HG12 ILE 33 -13.434 24.760 4.382 1.00 42.13 ATOM 511 CG2 ILE 33 -11.941 27.870 4.233 1.00 2.13 ATOM 512 HG21 ILE 33 -11.254 27.680 3.420 1.00 24.20 ATOM 513 HG22 ILE 33 -11.463 28.503 4.967 1.00 73.41 ATOM 514 HG23 ILE 33 -12.821 28.367 3.851 1.00 62.44 ATOM 515 CD1 ILE 33 -12.292 25.243 2.671 1.00 1.14 ATOM 516 HD11 ILE 33 -11.972 26.122 2.128 1.00 23.42 ATOM 517 HD12 ILE 33 -12.899 24.626 2.025 1.00 64.24 ATOM 518 HD13 ILE 33 -11.426 24.683 2.992 1.00 32.12 ATOM 519 C ILE 33 -10.314 26.721 6.385 1.00 21.12 ATOM 520 O ILE 33 -10.860 27.226 7.364 1.00 51.11 ATOM 521 N PRO 34 -9.016 26.963 6.103 1.00 3.05 ATOM 522 CA PRO 34 -8.127 27.727 7.009 1.00 14.55 ATOM 523 HA PRO 34 -8.219 27.379 8.028 1.00 4.22 ATOM 524 CB PRO 34 -6.731 27.371 6.478 1.00 34.44 ATOM 525 HB1 PRO 34 -6.365 26.482 6.975 1.00 38.48 ATOM 526 HB2 PRO 34 -6.047 28.192 6.653 1.00 13.11 ATOM 527 CG PRO 34 -6.939 27.132 5.021 1.00 44.12 ATOM 528 HG1 PRO 34 -6.180 26.461 4.644 1.00 38.48 ATOM 529 HG2 PRO 34 -6.905 28.072 4.487 1.00 71.15 ATOM 530 CD PRO 34 -8.306 26.508 4.890 1.00 51.24 ATOM 531 HD1 PRO 34 -8.232 25.429 4.872 1.00 38.48 ATOM 532 HD2 PRO 34 -8.801 26.867 3.997 1.00 73.42 ATOM 533 C PRO 34 -8.347 29.255 6.982 1.00 14.21 ATOM 534 O PRO 34 -7.442 30.022 7.325 1.00 34.42 ATOM 535 N PHE 35 -9.547 29.697 6.607 1.00 61.41 ATOM 536 HN PHE 35 -10.241 29.049 6.368 1.00 38.48 ATOM 537 CA PHE 35 -9.870 31.130 6.567 1.00 41.45 ATOM 538 HA PHE 35 -9.382 31.588 7.417 1.00 22.44 ATOM 539 CB PHE 35 -9.318 31.782 5.283 1.00 55.15 ATOM 540 HB1 PHE 35 -8.237 31.794 5.335 1.00 38.48 ATOM 541 HB2 PHE 35 -9.673 32.800 5.227 1.00 24.22 ATOM 542 CG PHE 35 -9.712 31.088 4.002 1.00 34.03 ATOM 543 CD1 PHE 35 -8.908 30.097 3.461 1.00 63.22 ATOM 544 HD1 PHE 35 -7.998 29.816 3.971 1.00 41.24 ATOM 545 CD2 PHE 35 -10.877 31.436 3.332 1.00 73.21 ATOM 546 HD2 PHE 35 -11.514 32.207 3.742 1.00 32.42 ATOM 547 CE1 PHE 35 -9.256 29.464 2.286 1.00 41.44 ATOM 548 HE1 PHE 35 -8.617 28.695 1.878 1.00 15.22 ATOM 549 CE2 PHE 35 -11.230 30.802 2.155 1.00 55.12 ATOM 550 HE2 PHE 35 -12.139 31.080 1.644 1.00 15.34 ATOM 551 CZ PHE 35 -10.418 29.818 1.630 1.00 12.42 ATOM 552 HZ PHE 35 -10.693 29.324 0.708 1.00 34.41 ATOM 553 C PHE 35 -11.387 31.376 6.704 1.00 50.22 ATOM 554 O PHE 35 -12.200 30.519 6.353 1.00 3.42 ATOM 555 N PRO 36 -11.784 32.559 7.224 1.00 72.22 ATOM 556 CA PRO 36 -13.202 32.887 7.490 1.00 65.21 ATOM 557 HA PRO 36 -13.635 32.190 8.195 1.00 43.13 ATOM 558 CB PRO 36 -13.125 34.281 8.138 1.00 21.02 ATOM 559 HB1 PRO 36 -13.155 34.183 9.215 1.00 38.48 ATOM 560 HB2 PRO 36 -13.958 34.889 7.808 1.00 73.10 ATOM 561 CG PRO 36 -11.823 34.842 7.682 1.00 12.13 ATOM 562 HG1 PRO 36 -11.458 35.562 8.400 1.00 38.48 ATOM 563 HG2 PRO 36 -11.940 35.306 6.711 1.00 31.42 ATOM 564 CD PRO 36 -10.888 33.671 7.595 1.00 72.41 ATOM 565 HD1 PRO 36 -10.421 33.484 8.551 1.00 38.48 ATOM 566 HD2 PRO 36 -10.140 33.838 6.831 1.00 4.22 ATOM 567 C PRO 36 -14.080 32.932 6.226 1.00 1.13 ATOM 568 O PRO 36 -13.664 33.428 5.175 1.00 3.45 ATOM 569 N THR 37 -15.313 32.434 6.350 1.00 14.44 ATOM 570 HN THR 37 -15.587 32.051 7.209 1.00 38.48 ATOM 571 CA THR 37 -16.272 32.434 5.236 1.00 3.13 ATOM 572 HA THR 37 -15.785 31.979 4.384 1.00 54.31 ATOM 573 CB THR 37 -17.534 31.602 5.567 1.00 72.14 ATOM 574 HB THR 37 -18.244 31.714 4.757 1.00 34.24 ATOM 575 OG1 THR 37 -18.138 32.078 6.779 1.00 31.33 ATOM 576 HG1 THR 37 -18.852 31.475 7.036 1.00 13.12 ATOM 577 CG2 THR 37 -17.195 30.121 5.713 1.00 61.43 ATOM 578 HG21 THR 37 -18.087 29.571 5.979 1.00 14.42 ATOM 579 HG22 THR 37 -16.453 29.996 6.489 1.00 60.14 ATOM 580 HG23 THR 37 -16.806 29.745 4.779 1.00 60.41 ATOM 581 C THR 37 -16.695 33.858 4.850 1.00 21.22 ATOM 582 O THR 37 -17.148 34.096 3.730 1.00 73.13 ATOM 583 N ASP 38 -16.543 34.804 5.780 1.00 2.42 ATOM 584 HN ASP 38 -16.265 34.544 6.683 1.00 38.48 ATOM 585 CA ASP 38 -16.802 36.217 5.494 1.00 24.44 ATOM 586 HA ASP 38 -17.840 36.317 5.205 1.00 25.32 ATOM 587 CB ASP 38 -16.548 37.066 6.742 1.00 24.22 ATOM 588 HB1 ASP 38 -16.747 38.105 6.512 1.00 38.48 ATOM 589 HB2 ASP 38 -15.512 36.962 7.036 1.00 24.33 ATOM 590 CG ASP 38 -17.424 36.653 7.907 1.00 52.14 ATOM 591 OD1 ASP 38 -16.981 35.809 8.717 1.00 41.55 ATOM 592 OD2 ASP 38 -18.557 37.173 8.020 1.00 55.10 ATOM 593 C ASP 38 -15.916 36.712 4.341 1.00 55.24 ATOM 594 O ASP 38 -16.415 37.164 3.309 1.00 21.22 ATOM 595 N LYS 39 -14.597 36.594 4.521 1.00 63.44 ATOM 596 HN LYS 39 -14.271 36.208 5.362 1.00 38.48 ATOM 597 CA LYS 39 -13.620 37.027 3.512 1.00 43.33 ATOM 598 HA LYS 39 -13.671 38.107 3.454 1.00 62.04 ATOM 599 CB LYS 39 -12.198 36.628 3.948 1.00 24.04 ATOM 600 HB1 LYS 39 -12.171 35.561 4.119 1.00 38.48 ATOM 601 HB2 LYS 39 -11.965 37.136 4.875 1.00 32.22 ATOM 602 CG LYS 39 -11.119 36.978 2.926 1.00 5.25 ATOM 603 HG1 LYS 39 -11.226 38.018 2.651 1.00 38.48 ATOM 604 HG2 LYS 39 -11.256 36.361 2.050 1.00 14.25 ATOM 605 CD LYS 39 -9.705 36.752 3.462 1.00 11.10 ATOM 606 HD1 LYS 39 -9.003 36.848 2.646 1.00 38.48 ATOM 607 HD2 LYS 39 -9.642 35.756 3.875 1.00 62.21 ATOM 608 CE LYS 39 -9.338 37.755 4.549 1.00 25.22 ATOM 609 HE1 LYS 39 -9.933 37.552 5.427 1.00 38.48 ATOM 610 HE2 LYS 39 -9.552 38.752 4.191 1.00 74.22 ATOM 611 NZ LYS 39 -7.897 37.674 4.911 1.00 41.23 ATOM 612 HZ1 LYS 39 -7.666 38.396 5.621 1.00 71.51 ATOM 613 HZ2 LYS 39 -7.306 37.836 4.067 1.00 14.43 ATOM 614 HZ3 LYS 39 -7.673 36.735 5.299 1.00 23.44 ATOM 615 C LYS 39 -13.939 36.450 2.121 1.00 20.31 ATOM 616 O LYS 39 -13.753 37.121 1.103 1.00 71.41 ATOM 617 N ILE 40 -14.442 35.216 2.092 1.00 22.44 ATOM 618 HN ILE 40 -14.544 34.729 2.937 1.00 38.48 ATOM 619 CA ILE 40 -14.848 34.558 0.840 1.00 44.20 ATOM 620 HA ILE 40 -13.965 34.426 0.231 1.00 45.40 ATOM 621 CB ILE 40 -15.456 33.159 1.131 1.00 52.44 ATOM 622 HB ILE 40 -16.301 33.297 1.793 1.00 4.23 ATOM 623 CG1 ILE 40 -14.426 32.254 1.827 1.00 42.12 ATOM 624 HG11 ILE 40 -14.124 32.715 2.758 1.00 38.48 ATOM 625 HG12 ILE 40 -13.558 32.145 1.191 1.00 24.13 ATOM 626 CG2 ILE 40 -15.972 32.508 -0.151 1.00 51.42 ATOM 627 HG21 ILE 40 -15.152 32.364 -0.838 1.00 1.32 ATOM 628 HG22 ILE 40 -16.714 33.147 -0.607 1.00 54.41 ATOM 629 HG23 ILE 40 -16.418 31.552 0.082 1.00 33.44 ATOM 630 CD1 ILE 40 -14.944 30.864 2.145 1.00 11.43 ATOM 631 HD11 ILE 40 -15.223 30.366 1.229 1.00 51.25 ATOM 632 HD12 ILE 40 -15.806 30.938 2.792 1.00 50.32 ATOM 633 HD13 ILE 40 -14.169 30.298 2.642 1.00 74.54 ATOM 634 C ILE 40 -15.879 35.397 0.056 1.00 41.51 ATOM 635 O ILE 40 -15.783 35.553 -1.163 1.00 52.32 ATOM 636 N VAL 41 -16.867 35.929 0.770 1.00 33.11 ATOM 637 HN VAL 41 -16.868 35.799 1.743 1.00 38.48 ATOM 638 CA VAL 41 -17.954 36.697 0.152 1.00 60.24 ATOM 639 HA VAL 41 -18.043 36.382 -0.880 1.00 35.12 ATOM 640 CB VAL 41 -19.301 36.402 0.864 1.00 4.34 ATOM 641 HB VAL 41 -19.233 36.772 1.879 1.00 43.14 ATOM 642 CG1 VAL 41 -20.463 37.121 0.174 1.00 34.13 ATOM 643 HG11 VAL 41 -20.543 36.780 -0.849 1.00 4.44 ATOM 644 HG12 VAL 41 -20.288 38.187 0.183 1.00 23.11 ATOM 645 HG13 VAL 41 -21.384 36.905 0.697 1.00 61.21 ATOM 646 CG2 VAL 41 -19.554 34.894 0.926 1.00 31.05 ATOM 647 HG21 VAL 41 -19.594 34.492 -0.076 1.00 25.31 ATOM 648 HG22 VAL 41 -20.494 34.704 1.426 1.00 52.23 ATOM 649 HG23 VAL 41 -18.755 34.415 1.473 1.00 63.34 ATOM 650 C VAL 41 -17.679 38.215 0.184 1.00 73.44 ATOM 651 O VAL 41 -18.263 38.980 -0.587 1.00 54.05 ATOM 652 N ASN 42 -16.788 38.647 1.074 1.00 63.44 ATOM 653 HN ASN 42 -16.308 37.991 1.621 1.00 38.48 ATOM 654 CA ASN 42 -16.498 40.078 1.249 1.00 41.25 ATOM 655 HA ASN 42 -17.435 40.612 1.156 1.00 21.44 ATOM 656 CB ASN 42 -15.928 40.343 2.651 1.00 33.14 ATOM 657 HB1 ASN 42 -15.514 41.340 2.682 1.00 38.48 ATOM 658 HB2 ASN 42 -15.142 39.628 2.851 1.00 30.40 ATOM 659 CG ASN 42 -16.970 40.220 3.758 1.00 53.02 ATOM 660 OD1 ASN 42 -16.899 40.913 4.767 1.00 43.33 ATOM 661 ND2 ASN 42 -17.940 39.342 3.590 1.00 60.31 ATOM 662 HD21 ASN 42 -17.947 38.807 2.773 1.00 30.31 ATOM 663 HD22 ASN 42 -18.612 39.261 4.297 1.00 2.44 ATOM 664 C ASN 42 -15.535 40.621 0.179 1.00 24.20 ATOM 665 O ASN 42 -15.719 41.734 -0.316 1.00 22.13 ATOM 666 N LEU 43 -14.517 39.841 -0.178 1.00 71.40 ATOM 667 HN LEU 43 -14.441 38.944 0.212 1.00 38.48 ATOM 668 CA LEU 43 -13.505 40.294 -1.146 1.00 10.34 ATOM 669 HA LEU 43 -13.289 41.331 -0.926 1.00 52.12 ATOM 670 CB LEU 43 -12.207 39.483 -0.992 1.00 31.52 ATOM 671 HB1 LEU 43 -11.561 39.714 -1.829 1.00 38.48 ATOM 672 HB2 LEU 43 -12.459 38.431 -1.038 1.00 14.50 ATOM 673 CG LEU 43 -11.418 39.733 0.306 1.00 14.41 ATOM 674 HG LEU 43 -12.000 39.378 1.146 1.00 33.31 ATOM 675 CD1 LEU 43 -10.103 38.955 0.291 1.00 2.11 ATOM 676 HD11 LEU 43 -9.575 39.120 1.219 1.00 53.22 ATOM 677 HD12 LEU 43 -9.491 39.292 -0.534 1.00 63.52 ATOM 678 HD13 LEU 43 -10.308 37.900 0.177 1.00 52.42 ATOM 679 CD2 LEU 43 -11.161 41.229 0.507 1.00 72.41 ATOM 680 HD21 LEU 43 -10.585 41.378 1.410 1.00 54.13 ATOM 681 HD22 LEU 43 -12.104 41.750 0.596 1.00 51.15 ATOM 682 HD23 LEU 43 -10.612 41.622 -0.337 1.00 22.03 ATOM 683 C LEU 43 -13.996 40.201 -2.604 1.00 62.23 ATOM 684 O LEU 43 -14.811 39.340 -2.950 1.00 3.32 ATOM 685 N PRO 44 -13.509 41.106 -3.480 1.00 54.23 ATOM 686 CA PRO 44 -13.773 41.030 -4.927 1.00 30.12 ATOM 687 HA PRO 44 -14.834 40.948 -5.131 1.00 41.31 ATOM 688 CB PRO 44 -13.248 42.372 -5.457 1.00 74.04 ATOM 689 HB1 PRO 44 -14.060 43.083 -5.508 1.00 38.48 ATOM 690 HB2 PRO 44 -12.821 42.240 -6.443 1.00 14.30 ATOM 691 CG PRO 44 -12.216 42.797 -4.466 1.00 41.12 ATOM 692 HG1 PRO 44 -12.146 43.876 -4.447 1.00 38.48 ATOM 693 HG2 PRO 44 -11.258 42.364 -4.723 1.00 13.11 ATOM 694 CD PRO 44 -12.682 42.280 -3.129 1.00 32.21 ATOM 695 HD1 PRO 44 -13.275 43.027 -2.619 1.00 38.48 ATOM 696 HD2 PRO 44 -11.839 41.988 -2.521 1.00 61.03 ATOM 697 C PRO 44 -13.039 39.846 -5.586 1.00 43.23 ATOM 698 O PRO 44 -12.226 39.178 -4.946 1.00 50.20 ATOM 699 N VAL 45 -13.320 39.594 -6.865 1.00 74.03 ATOM 700 HN VAL 45 -13.919 40.202 -7.350 1.00 38.48 ATOM 701 CA VAL 45 -12.769 38.422 -7.565 1.00 3.20 ATOM 702 HA VAL 45 -13.179 37.545 -7.082 1.00 23.35 ATOM 703 CB VAL 45 -13.214 38.387 -9.052 1.00 30.53 ATOM 704 HB VAL 45 -14.297 38.375 -9.077 1.00 44.12 ATOM 705 CG1 VAL 45 -12.742 39.631 -9.802 1.00 51.41 ATOM 706 HG11 VAL 45 -13.090 39.592 -10.825 1.00 0.32 ATOM 707 HG12 VAL 45 -11.663 39.672 -9.792 1.00 42.44 ATOM 708 HG13 VAL 45 -13.139 40.515 -9.322 1.00 12.31 ATOM 709 CG2 VAL 45 -12.715 37.114 -9.734 1.00 24.22 ATOM 710 HG21 VAL 45 -13.098 36.248 -9.211 1.00 1.20 ATOM 711 HG22 VAL 45 -11.634 37.095 -9.717 1.00 24.11 ATOM 712 HG23 VAL 45 -13.058 37.095 -10.758 1.00 2.34 ATOM 713 C VAL 45 -11.229 38.334 -7.490 1.00 60.20 ATOM 714 O VAL 45 -10.684 37.273 -7.192 1.00 51.32 ATOM 715 N ASP 46 -10.534 39.444 -7.736 1.00 3.05 ATOM 716 HN ASP 46 -11.012 40.286 -7.872 1.00 38.48 ATOM 717 CA ASP 46 -9.067 39.433 -7.813 1.00 42.33 ATOM 718 HA ASP 46 -8.789 38.712 -8.570 1.00 1.42 ATOM 719 CB ASP 46 -8.554 40.809 -8.243 1.00 24.43 ATOM 720 HB1 ASP 46 -8.634 41.497 -7.413 1.00 38.48 ATOM 721 HB2 ASP 46 -9.158 41.173 -9.064 1.00 23.12 ATOM 722 CG ASP 46 -7.107 40.757 -8.695 1.00 23.42 ATOM 723 OD1 ASP 46 -6.216 41.168 -7.926 1.00 10.31 ATOM 724 OD2 ASP 46 -6.853 40.292 -9.826 1.00 24.43 ATOM 725 C ASP 46 -8.420 39.008 -6.480 1.00 0.15 ATOM 726 O ASP 46 -7.606 38.081 -6.440 1.00 72.30 ATOM 727 N ASP 47 -8.785 39.690 -5.394 1.00 44.54 ATOM 728 HN ASP 47 -9.377 40.465 -5.494 1.00 38.48 ATOM 729 CA ASP 47 -8.304 39.330 -4.053 1.00 42.13 ATOM 730 HA ASP 47 -7.222 39.368 -4.069 1.00 32.31 ATOM 731 CB ASP 47 -8.821 40.339 -3.025 1.00 74.44 ATOM 732 HB1 ASP 47 -8.428 40.086 -2.048 1.00 38.48 ATOM 733 HB2 ASP 47 -9.901 40.295 -2.994 1.00 14.54 ATOM 734 CG ASP 47 -8.403 41.759 -3.363 1.00 33.15 ATOM 735 OD1 ASP 47 -7.492 42.297 -2.697 1.00 61.44 ATOM 736 OD2 ASP 47 -8.975 42.340 -4.309 1.00 70.02 ATOM 737 C ASP 47 -8.745 37.902 -3.675 1.00 73.44 ATOM 738 O ASP 47 -7.994 37.150 -3.052 1.00 11.10 ATOM 739 N PHE 48 -9.968 37.546 -4.073 1.00 11.13 ATOM 740 HN PHE 48 -10.533 38.217 -4.511 1.00 38.48 ATOM 741 CA PHE 48 -10.502 36.190 -3.881 1.00 70.31 ATOM 742 HA PHE 48 -10.554 35.999 -2.819 1.00 54.25 ATOM 743 CB PHE 48 -11.921 36.113 -4.474 1.00 30.40 ATOM 744 HB1 PHE 48 -11.883 36.418 -5.510 1.00 38.48 ATOM 745 HB2 PHE 48 -12.562 36.792 -3.934 1.00 62.45 ATOM 746 CG PHE 48 -12.551 34.744 -4.416 1.00 33.15 ATOM 747 CD1 PHE 48 -12.601 33.938 -5.546 1.00 34.12 ATOM 748 HD1 PHE 48 -12.179 34.297 -6.473 1.00 15.41 ATOM 749 CD2 PHE 48 -13.097 34.267 -3.236 1.00 40.34 ATOM 750 HD2 PHE 48 -13.067 34.883 -2.349 1.00 33.43 ATOM 751 CE1 PHE 48 -13.178 32.685 -5.495 1.00 50.51 ATOM 752 HE1 PHE 48 -13.210 32.067 -6.381 1.00 31.23 ATOM 753 CE2 PHE 48 -13.674 33.014 -3.181 1.00 34.30 ATOM 754 HE2 PHE 48 -14.095 32.654 -2.254 1.00 52.34 ATOM 755 CZ PHE 48 -13.717 32.223 -4.311 1.00 54.33 ATOM 756 HZ PHE 48 -14.170 31.242 -4.268 1.00 13.34 ATOM 757 C PHE 48 -9.585 35.136 -4.532 1.00 11.32 ATOM 758 O PHE 48 -9.309 34.085 -3.947 1.00 74.32 ATOM 759 N ASN 49 -9.110 35.432 -5.742 1.00 71.22 ATOM 760 HN ASN 49 -9.405 36.259 -6.176 1.00 38.48 ATOM 761 CA ASN 49 -8.174 34.549 -6.449 1.00 45.13 ATOM 762 HA ASN 49 -8.666 33.598 -6.605 1.00 14.34 ATOM 763 CB ASN 49 -7.797 35.145 -7.811 1.00 53.03 ATOM 764 HB1 ASN 49 -7.123 34.470 -8.319 1.00 38.48 ATOM 765 HB2 ASN 49 -7.301 36.093 -7.657 1.00 51.43 ATOM 766 CG ASN 49 -9.000 35.377 -8.704 1.00 53.34 ATOM 767 OD1 ASN 49 -10.003 34.675 -8.620 1.00 24.21 ATOM 768 ND2 ASN 49 -8.901 36.360 -9.576 1.00 4.23 ATOM 769 HD21 ASN 49 -8.069 36.876 -9.601 1.00 3.24 ATOM 770 HD22 ASN 49 -9.668 36.539 -10.159 1.00 40.32 ATOM 771 C ASN 49 -6.899 34.319 -5.624 1.00 53.33 ATOM 772 O ASN 49 -6.433 33.185 -5.476 1.00 0.35 ATOM 773 N GLU 50 -6.339 35.407 -5.091 1.00 11.00 ATOM 774 HN GLU 50 -6.741 36.284 -5.269 1.00 38.48 ATOM 775 CA GLU 50 -5.144 35.330 -4.245 1.00 41.13 ATOM 776 HA GLU 50 -4.362 34.855 -4.821 1.00 24.25 ATOM 777 CB GLU 50 -4.676 36.733 -3.836 1.00 14.32 ATOM 778 HB1 GLU 50 -3.820 36.636 -3.181 1.00 38.48 ATOM 779 HB2 GLU 50 -5.475 37.223 -3.294 1.00 70.42 ATOM 780 CG GLU 50 -4.280 37.622 -5.008 1.00 3.13 ATOM 781 HG1 GLU 50 -5.170 37.876 -5.567 1.00 38.48 ATOM 782 HG2 GLU 50 -3.599 37.076 -5.645 1.00 71.33 ATOM 783 CD GLU 50 -3.605 38.906 -4.555 1.00 71.40 ATOM 784 OE1 GLU 50 -4.303 39.916 -4.338 1.00 24.20 ATOM 785 OE2 GLU 50 -2.366 38.904 -4.389 1.00 72.01 ATOM 786 C GLU 50 -5.410 34.491 -2.990 1.00 60.45 ATOM 787 O GLU 50 -4.588 33.665 -2.598 1.00 21.34 ATOM 788 N LEU 51 -6.568 34.711 -2.369 1.00 22.02 ATOM 789 HN LEU 51 -7.164 35.414 -2.715 1.00 38.48 ATOM 790 CA LEU 51 -6.992 33.950 -1.187 1.00 2.51 ATOM 791 HA LEU 51 -6.352 34.233 -0.362 1.00 12.44 ATOM 792 CB LEU 51 -8.446 34.315 -0.845 1.00 74.53 ATOM 793 HB1 LEU 51 -9.054 34.110 -1.715 1.00 38.48 ATOM 794 HB2 LEU 51 -8.489 35.378 -0.647 1.00 61.13 ATOM 795 CG LEU 51 -9.068 33.579 0.353 1.00 24.11 ATOM 796 HG LEU 51 -8.989 32.513 0.190 1.00 23.31 ATOM 797 CD1 LEU 51 -8.318 33.908 1.639 1.00 40.23 ATOM 798 HD11 LEU 51 -8.787 33.400 2.469 1.00 60.03 ATOM 799 HD12 LEU 51 -8.341 34.974 1.810 1.00 33.02 ATOM 800 HD13 LEU 51 -7.291 33.580 1.551 1.00 22.00 ATOM 801 CD2 LEU 51 -10.551 33.926 0.486 1.00 73.23 ATOM 802 HD21 LEU 51 -11.074 33.617 -0.407 1.00 71.51 ATOM 803 HD22 LEU 51 -10.661 34.993 0.617 1.00 43.21 ATOM 804 HD23 LEU 51 -10.968 33.414 1.340 1.00 40.54 ATOM 805 C LEU 51 -6.867 32.432 -1.421 1.00 23.20 ATOM 806 O LEU 51 -6.343 31.701 -0.577 1.00 23.00 ATOM 807 N LEU 52 -7.335 31.978 -2.583 1.00 32.25 ATOM 808 HN LEU 52 -7.741 32.615 -3.211 1.00 38.48 ATOM 809 CA LEU 52 -7.276 30.556 -2.954 1.00 50.00 ATOM 810 HA LEU 52 -7.760 29.990 -2.172 1.00 44.04 ATOM 811 CB LEU 52 -8.037 30.330 -4.272 1.00 4.15 ATOM 812 HB1 LEU 52 -7.968 29.282 -4.530 1.00 38.48 ATOM 813 HB2 LEU 52 -7.547 30.905 -5.047 1.00 44.11 ATOM 814 CG LEU 52 -9.525 30.722 -4.252 1.00 44.43 ATOM 815 HG LEU 52 -9.608 31.776 -4.025 1.00 35.42 ATOM 816 CD1 LEU 52 -10.166 30.488 -5.618 1.00 62.13 ATOM 817 HD11 LEU 52 -10.100 29.441 -5.874 1.00 63.40 ATOM 818 HD12 LEU 52 -9.647 31.074 -6.364 1.00 34.55 ATOM 819 HD13 LEU 52 -11.203 30.787 -5.587 1.00 2.02 ATOM 820 CD2 LEU 52 -10.270 29.948 -3.167 1.00 51.20 ATOM 821 HD21 LEU 52 -10.170 28.886 -3.345 1.00 24.32 ATOM 822 HD22 LEU 52 -11.316 30.218 -3.186 1.00 30.51 ATOM 823 HD23 LEU 52 -9.856 30.191 -2.199 1.00 61.03 ATOM 824 C LEU 52 -5.827 30.055 -3.103 1.00 75.32 ATOM 825 O LEU 52 -5.536 28.888 -2.855 1.00 35.25 ATOM 826 N ALA 53 -4.925 30.944 -3.517 1.00 31.20 ATOM 827 HN ALA 53 -5.209 31.869 -3.677 1.00 38.48 ATOM 828 CA ALA 53 -3.520 30.577 -3.747 1.00 1.21 ATOM 829 HA ALA 53 -3.499 29.554 -4.099 1.00 1.24 ATOM 830 CB ALA 53 -2.927 31.461 -4.838 1.00 14.40 ATOM 831 HB1 ALA 53 -3.538 31.399 -5.726 1.00 54.03 ATOM 832 HB2 ALA 53 -1.925 31.127 -5.067 1.00 32.32 ATOM 833 HB3 ALA 53 -2.894 32.486 -4.495 1.00 13.22 ATOM 834 C ALA 53 -2.672 30.675 -2.468 1.00 34.43 ATOM 835 O ALA 53 -1.738 29.894 -2.263 1.00 14.54 ATOM 836 N ARG 54 -2.998 31.639 -1.612 1.00 32.51 ATOM 837 HN ARG 54 -3.769 32.204 -1.814 1.00 38.48 ATOM 838 CA ARG 54 -2.244 31.881 -0.375 1.00 62.05 ATOM 839 HA ARG 54 -1.196 31.938 -0.635 1.00 33.30 ATOM 840 CB ARG 54 -2.674 33.220 0.242 1.00 25.41 ATOM 841 HB1 ARG 54 -2.183 33.340 1.196 1.00 38.48 ATOM 842 HB2 ARG 54 -3.744 33.202 0.399 1.00 23.14 ATOM 843 CG ARG 54 -2.336 34.429 -0.629 1.00 3.02 ATOM 844 HG1 ARG 54 -2.808 34.309 -1.594 1.00 38.48 ATOM 845 HG2 ARG 54 -1.264 34.476 -0.760 1.00 13.13 ATOM 846 CD ARG 54 -2.810 35.737 -0.005 1.00 61.43 ATOM 847 HD1 ARG 54 -2.259 35.908 0.908 1.00 38.48 ATOM 848 HD2 ARG 54 -3.865 35.658 0.219 1.00 11.13 ATOM 849 NE ARG 54 -2.603 36.871 -0.903 1.00 63.31 ATOM 850 HE ARG 54 -2.154 36.694 -1.754 1.00 72.43 ATOM 851 CZ ARG 54 -2.995 38.089 -0.650 1.00 2.11 ATOM 852 NH1 ARG 54 -3.555 38.382 0.481 1.00 24.45 ATOM 853 HH11 ARG 54 -3.687 37.674 1.175 1.00 34.25 ATOM 854 HH12 ARG 54 -3.861 39.314 0.656 1.00 64.24 ATOM 855 NH2 ARG 54 -2.806 39.020 -1.525 1.00 34.11 ATOM 856 HH21 ARG 54 -2.360 38.809 -2.393 1.00 23.32 ATOM 857 HH22 ARG 54 -3.112 39.952 -1.332 1.00 21.14 ATOM 858 C ARG 54 -2.434 30.744 0.639 1.00 63.41 ATOM 859 O ARG 54 -1.502 30.376 1.358 1.00 51.22 ATOM 860 N TYR 55 -3.635 30.187 0.692 1.00 25.41 ATOM 861 HN TYR 55 -4.341 30.515 0.094 1.00 38.48 ATOM 862 CA TYR 55 -3.935 29.089 1.616 1.00 64.30 ATOM 863 HA TYR 55 -3.202 29.120 2.410 1.00 52.14 ATOM 864 CB TYR 55 -5.326 29.283 2.228 1.00 63.41 ATOM 865 HB1 TYR 55 -5.589 28.407 2.804 1.00 38.48 ATOM 866 HB2 TYR 55 -6.049 29.417 1.434 1.00 1.20 ATOM 867 CG TYR 55 -5.405 30.487 3.143 1.00 25.21 ATOM 868 CD1 TYR 55 -5.283 30.343 4.521 1.00 31.15 ATOM 869 HD1 TYR 55 -5.138 29.356 4.936 1.00 23.13 ATOM 870 CD2 TYR 55 -5.588 31.765 2.631 1.00 1.34 ATOM 871 HD2 TYR 55 -5.683 31.897 1.562 1.00 64.52 ATOM 872 CE1 TYR 55 -5.344 31.437 5.358 1.00 33.24 ATOM 873 HE1 TYR 55 -5.245 31.305 6.426 1.00 22.32 ATOM 874 CE2 TYR 55 -5.649 32.863 3.464 1.00 54.12 ATOM 875 HE2 TYR 55 -5.794 33.850 3.047 1.00 32.44 ATOM 876 CZ TYR 55 -5.528 32.694 4.825 1.00 15.33 ATOM 877 OH TYR 55 -5.592 33.789 5.655 1.00 44.33 ATOM 878 HH TYR 55 -4.860 33.753 6.284 1.00 33.31 ATOM 879 C TYR 55 -3.842 27.723 0.921 1.00 43.32 ATOM 880 O TYR 55 -4.210 27.584 -0.247 1.00 63.04 ATOM 881 N PRO 56 -3.336 26.694 1.630 1.00 20.12 ATOM 882 CA PRO 56 -3.227 25.336 1.075 1.00 14.50 ATOM 883 HA PRO 56 -2.668 25.335 0.149 1.00 22.31 ATOM 884 CB PRO 56 -2.440 24.571 2.155 1.00 11.23 ATOM 885 HB1 PRO 56 -1.387 24.577 1.911 1.00 38.48 ATOM 886 HB2 PRO 56 -2.792 23.550 2.216 1.00 22.31 ATOM 887 CG PRO 56 -2.707 25.320 3.417 1.00 54.53 ATOM 888 HG1 PRO 56 -1.885 25.188 4.106 1.00 38.48 ATOM 889 HG2 PRO 56 -3.630 24.972 3.863 1.00 30.41 ATOM 890 CD PRO 56 -2.829 26.766 3.017 1.00 21.33 ATOM 891 HD1 PRO 56 -1.864 27.252 3.050 1.00 38.48 ATOM 892 HD2 PRO 56 -3.531 27.278 3.660 1.00 13.52 ATOM 893 C PRO 56 -4.604 24.698 0.840 1.00 5.14 ATOM 894 O PRO 56 -5.166 24.059 1.733 1.00 33.53 ATOM 895 N LEU 57 -5.161 24.906 -0.351 1.00 71.12 ATOM 896 HN LEU 57 -4.688 25.460 -1.010 1.00 38.48 ATOM 897 CA LEU 57 -6.479 24.360 -0.693 1.00 73.33 ATOM 898 HA LEU 57 -6.892 23.906 0.198 1.00 24.45 ATOM 899 CB LEU 57 -7.418 25.487 -1.149 1.00 25.03 ATOM 900 HB1 LEU 57 -8.372 25.046 -1.403 1.00 38.48 ATOM 901 HB2 LEU 57 -7.002 25.933 -2.043 1.00 75.32 ATOM 902 CG LEU 57 -7.667 26.606 -0.124 1.00 54.21 ATOM 903 HG LEU 57 -6.721 27.055 0.143 1.00 44.34 ATOM 904 CD1 LEU 57 -8.549 27.698 -0.727 1.00 13.13 ATOM 905 HD11 LEU 57 -8.687 28.489 -0.005 1.00 42.23 ATOM 906 HD12 LEU 57 -9.512 27.283 -0.992 1.00 32.34 ATOM 907 HD13 LEU 57 -8.075 28.098 -1.612 1.00 21.31 ATOM 908 CD2 LEU 57 -8.297 26.040 1.149 1.00 41.23 ATOM 909 HD21 LEU 57 -7.629 25.313 1.588 1.00 75.51 ATOM 910 HD22 LEU 57 -9.237 25.565 0.909 1.00 53.41 ATOM 911 HD23 LEU 57 -8.468 26.841 1.855 1.00 64.41 ATOM 912 C LEU 57 -6.395 23.288 -1.795 1.00 10.13 ATOM 913 O LEU 57 -5.578 23.382 -2.715 1.00 1.44 ATOM 914 N THR 58 -7.249 22.272 -1.694 1.00 5.11 ATOM 915 HN THR 58 -7.816 22.211 -0.897 1.00 38.48 ATOM 916 CA THR 58 -7.373 21.238 -2.733 1.00 35.21 ATOM 917 HA THR 58 -6.412 21.118 -3.216 1.00 51.01 ATOM 918 CB THR 58 -7.797 19.877 -2.134 1.00 21.52 ATOM 919 HB THR 58 -7.816 19.140 -2.928 1.00 74.05 ATOM 920 OG1 THR 58 -9.113 19.984 -1.567 1.00 24.01 ATOM 921 HG1 THR 58 -9.365 19.135 -1.177 1.00 42.51 ATOM 922 CG2 THR 58 -6.813 19.413 -1.062 1.00 62.43 ATOM 923 HG21 THR 58 -5.825 19.327 -1.491 1.00 21.40 ATOM 924 HG22 THR 58 -7.122 18.450 -0.681 1.00 1.52 ATOM 925 HG23 THR 58 -6.793 20.130 -0.253 1.00 71.01 ATOM 926 C THR 58 -8.418 21.648 -3.775 1.00 4.24 ATOM 927 O THR 58 -9.244 22.519 -3.514 1.00 43.43 ATOM 928 N GLU 59 -8.397 21.010 -4.945 1.00 40.43 ATOM 929 HN GLU 59 -7.732 20.305 -5.092 1.00 38.48 ATOM 930 CA GLU 59 -9.345 21.338 -6.023 1.00 23.55 ATOM 931 HA GLU 59 -9.089 22.319 -6.397 1.00 21.32 ATOM 932 CB GLU 59 -9.220 20.327 -7.167 1.00 51.32 ATOM 933 HB1 GLU 59 -9.906 20.607 -7.954 1.00 38.48 ATOM 934 HB2 GLU 59 -9.493 19.348 -6.797 1.00 60.51 ATOM 935 CG GLU 59 -7.819 20.237 -7.764 1.00 60.43 ATOM 936 HG1 GLU 59 -7.132 19.905 -6.998 1.00 38.48 ATOM 937 HG2 GLU 59 -7.525 21.219 -8.106 1.00 61.05 ATOM 938 CD GLU 59 -7.747 19.271 -8.936 1.00 5.12 ATOM 939 OE1 GLU 59 -7.887 18.049 -8.718 1.00 40.43 ATOM 940 OE2 GLU 59 -7.556 19.730 -10.083 1.00 70.44 ATOM 941 C GLU 59 -10.799 21.369 -5.513 1.00 31.12 ATOM 942 O GLU 59 -11.576 22.263 -5.867 1.00 63.44 ATOM 943 N SER 60 -11.155 20.393 -4.675 1.00 65.00 ATOM 944 HN SER 60 -10.506 19.682 -4.472 1.00 38.48 ATOM 945 CA SER 60 -12.494 20.338 -4.063 1.00 53.33 ATOM 946 HA SER 60 -13.219 20.407 -4.862 1.00 22.21 ATOM 947 CB SER 60 -12.702 19.005 -3.326 1.00 71.54 ATOM 948 HB1 SER 60 -13.667 19.010 -2.837 1.00 38.48 ATOM 949 HB2 SER 60 -11.925 18.875 -2.586 1.00 53.13 ATOM 950 OG SER 60 -12.657 17.910 -4.231 1.00 21.11 ATOM 951 HG SER 60 -12.596 17.083 -3.735 1.00 44.35 ATOM 952 C SER 60 -12.727 21.507 -3.095 1.00 75.05 ATOM 953 O SER 60 -13.841 22.022 -2.987 1.00 22.32 ATOM 954 N GLN 61 -11.674 21.924 -2.394 1.00 4.43 ATOM 955 HN GLN 61 -10.812 21.464 -2.503 1.00 38.48 ATOM 956 CA GLN 61 -11.769 23.060 -1.470 1.00 32.22 ATOM 957 HA GLN 61 -12.650 22.901 -0.863 1.00 0.31 ATOM 958 CB GLN 61 -10.546 23.117 -0.541 1.00 73.33 ATOM 959 HB1 GLN 61 -10.515 24.084 -0.059 1.00 38.48 ATOM 960 HB2 GLN 61 -9.649 22.993 -1.133 1.00 42.42 ATOM 961 CG GLN 61 -10.558 22.041 0.547 1.00 23.31 ATOM 962 HG1 GLN 61 -10.622 21.070 0.075 1.00 38.48 ATOM 963 HG2 GLN 61 -11.425 22.192 1.173 1.00 55.14 ATOM 964 CD GLN 61 -9.318 22.074 1.426 1.00 32.13 ATOM 965 OE1 GLN 61 -8.237 22.423 0.974 1.00 33.33 ATOM 966 NE2 GLN 61 -9.461 21.720 2.688 1.00 52.13 ATOM 967 HE21 GLN 61 -10.349 21.456 3.001 1.00 12.02 ATOM 968 HE22 GLN 61 -8.671 21.747 3.265 1.00 63.35 ATOM 969 C GLN 61 -11.950 24.388 -2.222 1.00 23.24 ATOM 970 O GLN 61 -12.811 25.186 -1.857 1.00 43.01 ATOM 971 N LEU 62 -11.159 24.624 -3.277 1.00 14.14 ATOM 972 HN LEU 62 -10.430 24.000 -3.481 1.00 38.48 ATOM 973 CA LEU 62 -11.365 25.811 -4.127 1.00 23.35 ATOM 974 HA LEU 62 -11.204 26.684 -3.509 1.00 64.50 ATOM 975 CB LEU 62 -10.388 25.858 -5.323 1.00 70.54 ATOM 976 HB1 LEU 62 -10.776 26.563 -6.045 1.00 38.48 ATOM 977 HB2 LEU 62 -10.373 24.879 -5.784 1.00 53.31 ATOM 978 CG LEU 62 -8.934 26.257 -5.003 1.00 73.12 ATOM 979 HG LEU 62 -8.940 27.022 -4.237 1.00 22.24 ATOM 980 CD1 LEU 62 -8.146 25.076 -4.460 1.00 60.14 ATOM 981 HD11 LEU 62 -8.124 24.288 -5.199 1.00 64.13 ATOM 982 HD12 LEU 62 -8.619 24.712 -3.560 1.00 63.11 ATOM 983 HD13 LEU 62 -7.136 25.387 -4.234 1.00 74.33 ATOM 984 CD2 LEU 62 -8.248 26.835 -6.241 1.00 61.53 ATOM 985 HD21 LEU 62 -8.785 27.711 -6.577 1.00 10.42 ATOM 986 HD22 LEU 62 -8.239 26.096 -7.030 1.00 41.45 ATOM 987 HD23 LEU 62 -7.235 27.110 -5.994 1.00 65.43 ATOM 988 C LEU 62 -12.808 25.848 -4.652 1.00 13.12 ATOM 989 O LEU 62 -13.445 26.903 -4.686 1.00 12.45 ATOM 990 N ALA 63 -13.313 24.682 -5.060 1.00 63.40 ATOM 991 HN ALA 63 -12.733 23.891 -5.065 1.00 38.48 ATOM 992 CA ALA 63 -14.701 24.547 -5.506 1.00 35.40 ATOM 993 HA ALA 63 -14.841 25.200 -6.358 1.00 51.24 ATOM 994 CB ALA 63 -14.975 23.116 -5.957 1.00 11.51 ATOM 995 HB1 ALA 63 -15.978 23.046 -6.353 1.00 71.52 ATOM 996 HB2 ALA 63 -14.873 22.448 -5.115 1.00 70.21 ATOM 997 HB3 ALA 63 -14.266 22.837 -6.724 1.00 33.11 ATOM 998 C ALA 63 -15.685 24.957 -4.399 1.00 71.22 ATOM 999 O ALA 63 -16.596 25.746 -4.634 1.00 64.43 ATOM 1000 N LEU 64 -15.480 24.423 -3.193 1.00 3.51 ATOM 1001 HN LEU 64 -14.740 23.791 -3.075 1.00 38.48 ATOM 1002 CA LEU 64 -16.330 24.745 -2.038 1.00 52.43 ATOM 1003 HA LEU 64 -17.342 24.464 -2.292 1.00 51.52 ATOM 1004 CB LEU 64 -15.886 23.939 -0.809 1.00 15.23 ATOM 1005 HB1 LEU 64 -14.861 24.199 -0.588 1.00 38.48 ATOM 1006 HB2 LEU 64 -15.924 22.887 -1.062 1.00 52.34 ATOM 1007 CG LEU 64 -16.725 24.164 0.463 1.00 25.23 ATOM 1008 HG LEU 64 -16.724 25.220 0.697 1.00 23.44 ATOM 1009 CD1 LEU 64 -18.176 23.739 0.243 1.00 13.21 ATOM 1010 HD11 LEU 64 -18.601 24.307 -0.572 1.00 21.42 ATOM 1011 HD12 LEU 64 -18.746 23.924 1.143 1.00 55.31 ATOM 1012 HD13 LEU 64 -18.214 22.686 0.003 1.00 61.14 ATOM 1013 CD2 LEU 64 -16.116 23.423 1.653 1.00 75.24 ATOM 1014 HD21 LEU 64 -16.052 22.367 1.428 1.00 11.33 ATOM 1015 HD22 LEU 64 -16.737 23.567 2.524 1.00 2.54 ATOM 1016 HD23 LEU 64 -15.126 23.809 1.851 1.00 64.54 ATOM 1017 C LEU 64 -16.304 26.250 -1.711 1.00 23.42 ATOM 1018 O LEU 64 -17.336 26.847 -1.397 1.00 41.32 ATOM 1019 N VAL 65 -15.123 26.859 -1.785 1.00 34.12 ATOM 1020 HN VAL 65 -14.328 26.331 -2.016 1.00 38.48 ATOM 1021 CA VAL 65 -14.976 28.293 -1.520 1.00 1.12 ATOM 1022 HA VAL 65 -15.381 28.488 -0.534 1.00 32.51 ATOM 1023 CB VAL 65 -13.485 28.713 -1.519 1.00 22.14 ATOM 1024 HB VAL 65 -13.069 28.494 -2.494 1.00 40.12 ATOM 1025 CG1 VAL 65 -13.336 30.210 -1.262 1.00 35.24 ATOM 1026 HG11 VAL 65 -13.753 30.453 -0.295 1.00 64.34 ATOM 1027 HG12 VAL 65 -13.861 30.762 -2.027 1.00 44.33 ATOM 1028 HG13 VAL 65 -12.290 30.479 -1.279 1.00 12.52 ATOM 1029 CG2 VAL 65 -12.703 27.913 -0.477 1.00 32.44 ATOM 1030 HG21 VAL 65 -11.658 28.185 -0.523 1.00 74.43 ATOM 1031 HG22 VAL 65 -12.807 26.857 -0.677 1.00 13.10 ATOM 1032 HG23 VAL 65 -13.088 28.130 0.510 1.00 22.25 ATOM 1033 C VAL 65 -15.757 29.134 -2.547 1.00 70.14 ATOM 1034 O VAL 65 -16.454 30.081 -2.184 1.00 25.21 ATOM 1035 N ARG 66 -15.649 28.776 -3.829 1.00 4.13 ATOM 1036 HN ARG 66 -15.042 28.043 -4.070 1.00 38.48 ATOM 1037 CA ARG 66 -16.423 29.450 -4.883 1.00 40.31 ATOM 1038 HA ARG 66 -16.289 30.516 -4.761 1.00 43.15 ATOM 1039 CB ARG 66 -15.930 29.041 -6.283 1.00 74.04 ATOM 1040 HB1 ARG 66 -16.495 29.594 -7.023 1.00 38.48 ATOM 1041 HB2 ARG 66 -16.115 27.986 -6.422 1.00 14.13 ATOM 1042 CG ARG 66 -14.444 29.298 -6.528 1.00 1.34 ATOM 1043 HG1 ARG 66 -13.865 28.647 -5.889 1.00 38.48 ATOM 1044 HG2 ARG 66 -14.222 30.328 -6.287 1.00 30.34 ATOM 1045 CD ARG 66 -14.059 29.035 -7.982 1.00 24.33 ATOM 1046 HD1 ARG 66 -14.493 29.807 -8.603 1.00 38.48 ATOM 1047 HD2 ARG 66 -14.458 28.075 -8.277 1.00 64.43 ATOM 1048 NE ARG 66 -12.609 29.021 -8.182 1.00 31.21 ATOM 1049 HE ARG 66 -12.127 28.212 -7.920 1.00 10.22 ATOM 1050 CZ ARG 66 -11.922 30.000 -8.705 1.00 61.10 ATOM 1051 NH1 ARG 66 -12.501 31.099 -9.072 1.00 13.51 ATOM 1052 HH11 ARG 66 -13.486 31.207 -8.961 1.00 11.42 ATOM 1053 HH12 ARG 66 -11.956 31.838 -9.467 1.00 53.13 ATOM 1054 NH2 ARG 66 -10.646 29.873 -8.868 1.00 11.14 ATOM 1055 HH21 ARG 66 -10.191 29.030 -8.597 1.00 63.43 ATOM 1056 HH22 ARG 66 -10.118 30.622 -9.268 1.00 71.42 ATOM 1057 C ARG 66 -17.921 29.127 -4.746 1.00 62.23 ATOM 1058 O ARG 66 -18.778 29.953 -5.061 1.00 24.41 ATOM 1059 N ASP 67 -18.212 27.918 -4.271 1.00 54.32 ATOM 1060 HN ASP 67 -17.477 27.301 -4.076 1.00 38.48 ATOM 1061 CA ASP 67 -19.585 27.466 -4.024 1.00 63.22 ATOM 1062 HA ASP 67 -20.120 27.497 -4.962 1.00 3.40 ATOM 1063 CB ASP 67 -19.535 26.015 -3.520 1.00 74.11 ATOM 1064 HB1 ASP 67 -18.946 25.982 -2.614 1.00 38.48 ATOM 1065 HB2 ASP 67 -19.056 25.401 -4.269 1.00 51.55 ATOM 1066 CG ASP 67 -20.897 25.420 -3.229 1.00 52.10 ATOM 1067 OD1 ASP 67 -21.140 24.994 -2.079 1.00 62.21 ATOM 1068 OD2 ASP 67 -21.742 25.372 -4.144 1.00 71.02 ATOM 1069 C ASP 67 -20.296 28.386 -3.010 1.00 71.42 ATOM 1070 O ASP 67 -21.393 28.895 -3.267 1.00 14.34 ATOM 1071 N ILE 68 -19.654 28.605 -1.863 1.00 22.32 ATOM 1072 HN ILE 68 -18.816 28.123 -1.690 1.00 38.48 ATOM 1073 CA ILE 68 -20.165 29.533 -0.847 1.00 43.43 ATOM 1074 HA ILE 68 -21.179 29.240 -0.605 1.00 64.04 ATOM 1075 CB ILE 68 -19.313 29.463 0.447 1.00 73.52 ATOM 1076 HB ILE 68 -18.298 29.742 0.195 1.00 33.33 ATOM 1077 CG1 ILE 68 -19.313 28.028 1.009 1.00 73.13 ATOM 1078 HG11 ILE 68 -18.939 27.352 0.251 1.00 38.48 ATOM 1079 HG12 ILE 68 -20.324 27.746 1.265 1.00 61.13 ATOM 1080 CG2 ILE 68 -19.828 30.457 1.493 1.00 63.12 ATOM 1081 HG21 ILE 68 -19.185 30.433 2.363 1.00 72.43 ATOM 1082 HG22 ILE 68 -20.834 30.190 1.783 1.00 22.32 ATOM 1083 HG23 ILE 68 -19.826 31.453 1.076 1.00 23.41 ATOM 1084 CD1 ILE 68 -18.457 27.853 2.248 1.00 23.44 ATOM 1085 HD11 ILE 68 -18.472 26.816 2.552 1.00 61.11 ATOM 1086 HD12 ILE 68 -18.849 28.466 3.047 1.00 50.55 ATOM 1087 HD13 ILE 68 -17.441 28.150 2.030 1.00 64.42 ATOM 1088 C ILE 68 -20.174 30.983 -1.373 1.00 12.24 ATOM 1089 O ILE 68 -21.147 31.723 -1.187 1.00 53.52 ATOM 1090 N ARG 69 -19.083 31.376 -2.036 1.00 43.13 ATOM 1091 HN ARG 69 -18.332 30.748 -2.120 1.00 38.48 ATOM 1092 CA ARG 69 -18.962 32.716 -2.636 1.00 23.31 ATOM 1093 HA ARG 69 -18.951 33.438 -1.831 1.00 22.40 ATOM 1094 CB ARG 69 -17.633 32.815 -3.419 1.00 53.23 ATOM 1095 HB1 ARG 69 -17.717 32.217 -4.316 1.00 38.48 ATOM 1096 HB2 ARG 69 -16.844 32.400 -2.807 1.00 41.21 ATOM 1097 CG ARG 69 -17.210 34.233 -3.829 1.00 32.31 ATOM 1098 HG1 ARG 69 -16.161 34.218 -4.094 1.00 38.48 ATOM 1099 HG2 ARG 69 -17.353 34.895 -2.989 1.00 51.31 ATOM 1100 CD ARG 69 -18.006 34.775 -5.017 1.00 41.55 ATOM 1101 HD1 ARG 69 -17.600 35.737 -5.297 1.00 38.48 ATOM 1102 HD2 ARG 69 -19.037 34.898 -4.717 1.00 52.11 ATOM 1103 NE ARG 69 -17.958 33.880 -6.174 1.00 1.52 ATOM 1104 HE ARG 69 -18.618 33.160 -6.213 1.00 14.31 ATOM 1105 CZ ARG 69 -17.108 33.992 -7.160 1.00 74.44 ATOM 1106 NH1 ARG 69 -16.221 34.937 -7.167 1.00 25.24 ATOM 1107 HH11 ARG 69 -16.177 35.589 -6.414 1.00 2.52 ATOM 1108 HH12 ARG 69 -15.594 35.023 -7.941 1.00 44.21 ATOM 1109 NH2 ARG 69 -17.156 33.159 -8.148 1.00 42.02 ATOM 1110 HH21 ARG 69 -17.845 32.437 -8.162 1.00 51.10 ATOM 1111 HH22 ARG 69 -16.497 33.231 -8.895 1.00 54.24 ATOM 1112 C ARG 69 -20.157 33.012 -3.556 1.00 31.31 ATOM 1113 O ARG 69 -20.719 34.111 -3.534 1.00 65.04 ATOM 1114 N ARG 70 -20.539 32.019 -4.359 1.00 71.14 ATOM 1115 HN ARG 70 -20.043 31.172 -4.333 1.00 38.48 ATOM 1116 CA ARG 70 -21.679 32.146 -5.269 1.00 52.11 ATOM 1117 HA ARG 70 -21.450 32.939 -5.970 1.00 64.24 ATOM 1118 CB ARG 70 -21.886 30.838 -6.049 1.00 31.44 ATOM 1119 HB1 ARG 70 -21.903 30.015 -5.348 1.00 38.48 ATOM 1120 HB2 ARG 70 -21.053 30.704 -6.724 1.00 75.52 ATOM 1121 CG ARG 70 -23.177 30.800 -6.865 1.00 72.32 ATOM 1122 HG1 ARG 70 -23.177 31.633 -7.553 1.00 38.48 ATOM 1123 HG2 ARG 70 -24.018 30.890 -6.193 1.00 32.25 ATOM 1124 CD ARG 70 -23.316 29.503 -7.660 1.00 23.23 ATOM 1125 HD1 ARG 70 -23.114 28.669 -7.003 1.00 38.48 ATOM 1126 HD2 ARG 70 -22.591 29.508 -8.463 1.00 75.22 ATOM 1127 NE ARG 70 -24.656 29.345 -8.225 1.00 24.44 ATOM 1128 HE ARG 70 -25.414 29.541 -7.641 1.00 65.14 ATOM 1129 CZ ARG 70 -24.908 28.938 -9.442 1.00 73.05 ATOM 1130 NH1 ARG 70 -23.947 28.702 -10.278 1.00 34.42 ATOM 1131 HH11 ARG 70 -23.005 28.827 -9.998 1.00 22.34 ATOM 1132 HH12 ARG 70 -24.159 28.403 -11.208 1.00 71.25 ATOM 1133 NH2 ARG 70 -26.133 28.777 -9.822 1.00 31.43 ATOM 1134 HH21 ARG 70 -26.879 28.958 -9.186 1.00 74.43 ATOM 1135 HH22 ARG 70 -26.332 28.476 -10.753 1.00 52.34 ATOM 1136 C ARG 70 -22.959 32.521 -4.511 1.00 12.11 ATOM 1137 O ARG 70 -23.550 33.560 -4.767 1.00 24.05 ATOM 1138 N ARG 71 -23.371 31.679 -3.564 1.00 13.03 ATOM 1139 HN ARG 71 -22.845 30.870 -3.385 1.00 38.48 ATOM 1140 CA ARG 71 -24.592 31.934 -2.783 1.00 41.21 ATOM 1141 HA ARG 71 -25.415 31.987 -3.482 1.00 21.15 ATOM 1142 CB ARG 71 -24.852 30.781 -1.807 1.00 1.24 ATOM 1143 HB1 ARG 71 -25.650 31.062 -1.132 1.00 38.48 ATOM 1144 HB2 ARG 71 -23.955 30.598 -1.233 1.00 22.24 ATOM 1145 CG ARG 71 -25.250 29.486 -2.499 1.00 50.51 ATOM 1146 HG1 ARG 71 -24.449 29.184 -3.159 1.00 38.48 ATOM 1147 HG2 ARG 71 -26.145 29.660 -3.078 1.00 51.41 ATOM 1148 CD ARG 71 -25.520 28.361 -1.505 1.00 42.10 ATOM 1149 HD1 ARG 71 -25.916 27.510 -2.042 1.00 38.48 ATOM 1150 HD2 ARG 71 -26.252 28.701 -0.786 1.00 53.33 ATOM 1151 NE ARG 71 -24.312 27.956 -0.795 1.00 65.12 ATOM 1152 HE ARG 71 -24.126 28.374 0.074 1.00 73.11 ATOM 1153 CZ ARG 71 -23.468 27.071 -1.243 1.00 43.10 ATOM 1154 NH1 ARG 71 -23.660 26.488 -2.384 1.00 13.22 ATOM 1155 HH11 ARG 71 -24.460 26.711 -2.933 1.00 75.25 ATOM 1156 HH12 ARG 71 -22.993 25.820 -2.717 1.00 2.13 ATOM 1157 NH2 ARG 71 -22.427 26.771 -0.545 1.00 22.32 ATOM 1158 HH21 ARG 71 -22.274 27.216 0.337 1.00 32.44 ATOM 1159 HH22 ARG 71 -21.774 26.101 -0.893 1.00 60.11 ATOM 1160 C ARG 71 -24.523 33.266 -2.021 1.00 63.03 ATOM 1161 O ARG 71 -25.529 33.960 -1.869 1.00 4.02 ATOM 1162 N GLY 72 -23.335 33.615 -1.544 1.00 41.44 ATOM 1163 HN GLY 72 -22.572 33.008 -1.666 1.00 38.48 ATOM 1164 CA GLY 72 -23.152 34.877 -0.841 1.00 75.32 ATOM 1165 HA1 GLY 72 -22.137 34.920 -0.475 1.00 38.48 ATOM 1166 HA2 GLY 72 -23.825 34.906 0.005 1.00 31.22 ATOM 1167 C GLY 72 -23.409 36.103 -1.718 1.00 21.13 ATOM 1168 O GLY 72 -24.098 37.038 -1.306 1.00 3.55 ATOM 1169 N LYS 73 -22.856 36.100 -2.931 1.00 51.23 ATOM 1170 HN LYS 73 -22.339 35.316 -3.218 1.00 38.48 ATOM 1171 CA LYS 73 -22.997 37.240 -3.848 1.00 20.21 ATOM 1172 HA LYS 73 -23.161 38.121 -3.241 1.00 51.11 ATOM 1173 CB LYS 73 -21.697 37.441 -4.640 1.00 43.42 ATOM 1174 HB1 LYS 73 -21.861 38.184 -5.407 1.00 38.48 ATOM 1175 HB2 LYS 73 -21.425 36.504 -5.112 1.00 12.11 ATOM 1176 CG LYS 73 -20.532 37.895 -3.761 1.00 72.41 ATOM 1177 HG1 LYS 73 -20.228 37.067 -3.134 1.00 38.48 ATOM 1178 HG2 LYS 73 -20.864 38.713 -3.137 1.00 13.11 ATOM 1179 CD LYS 73 -19.330 38.364 -4.577 1.00 72.24 ATOM 1180 HD1 LYS 73 -19.641 39.169 -5.229 1.00 38.48 ATOM 1181 HD2 LYS 73 -18.965 37.538 -5.170 1.00 74.51 ATOM 1182 CE LYS 73 -18.204 38.861 -3.673 1.00 64.23 ATOM 1183 HE1 LYS 73 -17.844 38.033 -3.077 1.00 38.48 ATOM 1184 HE2 LYS 73 -18.593 39.627 -3.019 1.00 63.11 ATOM 1185 NZ LYS 73 -17.068 39.425 -4.444 1.00 24.44 ATOM 1186 HZ1 LYS 73 -17.384 40.249 -4.999 1.00 4.14 ATOM 1187 HZ2 LYS 73 -16.682 38.712 -5.089 1.00 54.12 ATOM 1188 HZ3 LYS 73 -16.316 39.733 -3.793 1.00 22.25 ATOM 1189 C LYS 73 -24.202 37.092 -4.798 1.00 71.25 ATOM 1190 O LYS 73 -24.610 38.059 -5.446 1.00 23.24 ATOM 1191 N ASN 74 -24.780 35.891 -4.866 1.00 50.23 ATOM 1192 HN ASN 74 -24.385 35.148 -4.367 1.00 38.48 ATOM 1193 CA ASN 74 -25.986 35.651 -5.673 1.00 22.03 ATOM 1194 HA ASN 74 -25.772 35.952 -6.691 1.00 4.54 ATOM 1195 CB ASN 74 -26.354 34.161 -5.656 1.00 51.23 ATOM 1196 HB1 ASN 74 -26.668 33.882 -4.661 1.00 38.48 ATOM 1197 HB2 ASN 74 -25.481 33.579 -5.926 1.00 41.31 ATOM 1198 CG ASN 74 -27.474 33.815 -6.624 1.00 4.32 ATOM 1199 OD1 ASN 74 -27.600 34.400 -7.693 1.00 43.13 ATOM 1200 ND2 ASN 74 -28.296 32.852 -6.260 1.00 31.00 ATOM 1201 HD21 ASN 74 -28.145 32.418 -5.396 1.00 0.33 ATOM 1202 HD22 ASN 74 -29.019 32.609 -6.872 1.00 73.21 ATOM 1203 C ASN 74 -27.151 36.496 -5.136 1.00 2.21 ATOM 1204 O ASN 74 -28.038 36.913 -5.882 1.00 5.30 ATOM 1205 N LYS 75 -27.120 36.749 -3.827 1.00 13.13 ATOM 1206 HN LYS 75 -26.437 36.308 -3.283 1.00 38.48 ATOM 1207 CA LYS 75 -28.071 37.651 -3.171 1.00 3.00 ATOM 1208 HA LYS 75 -29.058 37.219 -3.255 1.00 2.33 ATOM 1209 CB LYS 75 -27.703 37.782 -1.685 1.00 54.33 ATOM 1210 HB1 LYS 75 -26.767 38.318 -1.604 1.00 38.48 ATOM 1211 HB2 LYS 75 -27.572 36.790 -1.275 1.00 50.33 ATOM 1212 CG LYS 75 -28.744 38.508 -0.839 1.00 3.40 ATOM 1213 HG1 LYS 75 -29.678 37.966 -0.889 1.00 38.48 ATOM 1214 HG2 LYS 75 -28.881 39.504 -1.233 1.00 62.33 ATOM 1215 CD LYS 75 -28.303 38.608 0.621 1.00 51.33 ATOM 1216 HD1 LYS 75 -27.434 39.250 0.679 1.00 38.48 ATOM 1217 HD2 LYS 75 -28.044 37.622 0.976 1.00 72.22 ATOM 1218 CE LYS 75 -29.399 39.178 1.515 1.00 22.55 ATOM 1219 HE1 LYS 75 -29.650 40.173 1.171 1.00 38.48 ATOM 1220 HE2 LYS 75 -29.026 39.232 2.527 1.00 41.22 ATOM 1221 NZ LYS 75 -30.625 38.336 1.501 1.00 74.22 ATOM 1222 HZ1 LYS 75 -30.381 37.336 1.660 1.00 64.34 ATOM 1223 HZ2 LYS 75 -31.111 38.421 0.585 1.00 32.42 ATOM 1224 HZ3 LYS 75 -31.277 38.643 2.248 1.00 33.35 ATOM 1225 C LYS 75 -28.064 39.032 -3.853 1.00 41.12 ATOM 1226 O LYS 75 -29.110 39.657 -4.040 1.00 45.30 ATOM 1227 N VAL 76 -26.871 39.487 -4.235 1.00 10.22 ATOM 1228 HN VAL 76 -26.070 38.969 -4.010 1.00 38.48 ATOM 1229 CA VAL 76 -26.718 40.736 -4.988 1.00 2.12 ATOM 1230 HA VAL 76 -27.368 41.481 -4.546 1.00 14.11 ATOM 1231 CB VAL 76 -25.257 41.257 -4.933 1.00 21.14 ATOM 1232 HB VAL 76 -24.634 40.565 -5.489 1.00 50.12 ATOM 1233 CG1 VAL 76 -25.139 42.631 -5.596 1.00 73.13 ATOM 1234 HG11 VAL 76 -24.112 42.965 -5.556 1.00 63.51 ATOM 1235 HG12 VAL 76 -25.766 43.341 -5.075 1.00 44.25 ATOM 1236 HG13 VAL 76 -25.457 42.563 -6.627 1.00 12.31 ATOM 1237 CG2 VAL 76 -24.744 41.298 -3.495 1.00 63.45 ATOM 1238 HG21 VAL 76 -25.339 41.990 -2.917 1.00 73.42 ATOM 1239 HG22 VAL 76 -23.711 41.620 -3.491 1.00 71.21 ATOM 1240 HG23 VAL 76 -24.814 40.313 -3.059 1.00 74.22 ATOM 1241 C VAL 76 -27.114 40.530 -6.459 1.00 45.52 ATOM 1242 O VAL 76 -27.842 41.336 -7.041 1.00 71.20 ATOM 1243 N ALA 77 -26.636 39.432 -7.046 1.00 74.44 ATOM 1244 HN ALA 77 -26.070 38.825 -6.523 1.00 38.48 ATOM 1245 CA ALA 77 -26.925 39.099 -8.445 1.00 1.51 ATOM 1246 HA ALA 77 -26.485 39.869 -9.064 1.00 55.41 ATOM 1247 CB ALA 77 -26.270 37.772 -8.812 1.00 51.24 ATOM 1248 HB1 ALA 77 -26.726 36.976 -8.243 1.00 42.24 ATOM 1249 HB2 ALA 77 -25.214 37.816 -8.584 1.00 10.32 ATOM 1250 HB3 ALA 77 -26.401 37.584 -9.869 1.00 61.23 ATOM 1251 C ALA 77 -28.436 39.044 -8.722 1.00 44.32 ATOM 1252 O ALA 77 -28.886 39.421 -9.799 1.00 11.35 ATOM 1253 N ALA 78 -29.213 38.583 -7.743 1.00 22.20 ATOM 1254 HN ALA 78 -28.796 38.258 -6.920 1.00 38.48 ATOM 1255 CA ALA 78 -30.675 38.534 -7.869 1.00 44.55 ATOM 1256 HA ALA 78 -30.914 37.865 -8.685 1.00 51.43 ATOM 1257 CB ALA 78 -31.287 37.962 -6.595 1.00 55.12 ATOM 1258 HB1 ALA 78 -32.356 37.865 -6.720 1.00 5.24 ATOM 1259 HB2 ALA 78 -31.081 38.623 -5.765 1.00 0.24 ATOM 1260 HB3 ALA 78 -30.858 36.991 -6.396 1.00 52.31 ATOM 1261 C ALA 78 -31.268 39.920 -8.173 1.00 24.32 ATOM 1262 O ALA 78 -32.251 40.040 -8.906 1.00 71.23 ATOM 1263 N GLN 79 -30.650 40.963 -7.618 1.00 32.23 ATOM 1264 HN GLN 79 -29.863 40.803 -7.054 1.00 38.48 ATOM 1265 CA GLN 79 -31.112 42.343 -7.823 1.00 53.51 ATOM 1266 HA GLN 79 -32.176 42.312 -8.014 1.00 21.23 ATOM 1267 CB GLN 79 -30.862 43.175 -6.556 1.00 4.21 ATOM 1268 HB1 GLN 79 -31.319 44.147 -6.682 1.00 38.48 ATOM 1269 HB2 GLN 79 -29.795 43.305 -6.429 1.00 52.02 ATOM 1270 CG GLN 79 -31.421 42.545 -5.279 1.00 31.42 ATOM 1271 HG1 GLN 79 -31.258 43.226 -4.456 1.00 38.48 ATOM 1272 HG2 GLN 79 -30.891 41.622 -5.087 1.00 62.24 ATOM 1273 CD GLN 79 -32.908 42.237 -5.364 1.00 64.24 ATOM 1274 OE1 GLN 79 -33.662 42.915 -6.056 1.00 50.33 ATOM 1275 NE2 GLN 79 -33.345 41.211 -4.663 1.00 31.05 ATOM 1276 HE21 GLN 79 -32.699 40.708 -4.125 1.00 72.42 ATOM 1277 HE22 GLN 79 -34.297 40.987 -4.718 1.00 35.43 ATOM 1278 C GLN 79 -30.418 42.999 -9.029 1.00 31.23 ATOM 1279 O GLN 79 -30.711 44.141 -9.383 1.00 51.53 ATOM 1280 N ASN 80 -29.492 42.268 -9.649 1.00 1.13 ATOM 1281 HN ASN 80 -29.290 41.373 -9.303 1.00 38.48 ATOM 1282 CA ASN 80 -28.760 42.752 -10.829 1.00 54.03 ATOM 1283 HA ASN 80 -29.244 43.653 -11.185 1.00 24.32 ATOM 1284 CB ASN 80 -27.311 43.078 -10.441 1.00 12.43 ATOM 1285 HB1 ASN 80 -26.765 43.375 -11.327 1.00 38.48 ATOM 1286 HB2 ASN 80 -26.851 42.196 -10.020 1.00 72.22 ATOM 1287 CG ASN 80 -27.219 44.201 -9.420 1.00 52.02 ATOM 1288 OD1 ASN 80 -27.125 45.371 -9.774 1.00 4.41 ATOM 1289 ND2 ASN 80 -27.251 43.859 -8.147 1.00 44.21 ATOM 1290 HD21 ASN 80 -27.331 42.911 -7.923 1.00 11.23 ATOM 1291 HD22 ASN 80 -27.198 44.573 -7.476 1.00 34.44 ATOM 1292 C ASN 80 -28.786 41.704 -11.956 1.00 40.21 ATOM 1293 O ASN 80 -27.951 41.718 -12.864 1.00 14.41 ATOM 1294 N TYR 81 -29.774 40.820 -11.899 1.00 21.00 ATOM 1295 HN TYR 81 -30.462 40.929 -11.210 1.00 38.48 ATOM 1296 CA TYR 81 -29.881 39.694 -12.829 1.00 61.54 ATOM 1297 HA TYR 81 -28.895 39.267 -12.948 1.00 14.42 ATOM 1298 CB TYR 81 -30.812 38.628 -12.231 1.00 31.20 ATOM 1299 HB1 TYR 81 -31.769 39.081 -12.014 1.00 38.48 ATOM 1300 HB2 TYR 81 -30.381 38.264 -11.309 1.00 52.41 ATOM 1301 CG TYR 81 -31.054 37.431 -13.132 1.00 61.14 ATOM 1302 CD1 TYR 81 -30.038 36.521 -13.406 1.00 4.33 ATOM 1303 HD1 TYR 81 -29.058 36.679 -12.974 1.00 71.30 ATOM 1304 CD2 TYR 81 -32.304 37.207 -13.699 1.00 60.24 ATOM 1305 HD2 TYR 81 -33.104 37.904 -13.496 1.00 42.13 ATOM 1306 CE1 TYR 81 -30.261 35.427 -14.224 1.00 65.40 ATOM 1307 HE1 TYR 81 -29.459 34.731 -14.424 1.00 62.01 ATOM 1308 CE2 TYR 81 -32.534 36.120 -14.515 1.00 64.40 ATOM 1309 HE2 TYR 81 -33.514 35.967 -14.945 1.00 42.12 ATOM 1310 CZ TYR 81 -31.513 35.232 -14.775 1.00 15.42 ATOM 1311 OH TYR 81 -31.748 34.147 -15.592 1.00 40.42 ATOM 1312 HH TYR 81 -32.264 34.432 -16.361 1.00 63.13 ATOM 1313 C TYR 81 -30.392 40.137 -14.204 1.00 52.32 ATOM 1314 O TYR 81 -29.892 39.690 -15.238 1.00 2.30 ATOM 1315 N ARG 82 -31.392 41.009 -14.221 1.00 24.25 ATOM 1316 HN ARG 82 -31.747 41.352 -13.371 1.00 38.48 ATOM 1317 CA ARG 82 -31.968 41.469 -15.483 1.00 72.13 ATOM 1318 HA ARG 82 -31.850 40.659 -16.193 1.00 14.22 ATOM 1319 CB ARG 82 -33.467 41.749 -15.335 1.00 52.51 ATOM 1320 HB1 ARG 82 -33.813 42.274 -16.215 1.00 38.48 ATOM 1321 HB2 ARG 82 -33.618 42.379 -14.471 1.00 30.22 ATOM 1322 CG ARG 82 -34.320 40.489 -15.167 1.00 3.14 ATOM 1323 HG1 ARG 82 -35.344 40.787 -14.983 1.00 38.48 ATOM 1324 HG2 ARG 82 -33.953 39.928 -14.319 1.00 70.30 ATOM 1325 CD ARG 82 -34.282 39.587 -16.410 1.00 64.41 ATOM 1326 HD1 ARG 82 -34.529 40.185 -17.277 1.00 38.48 ATOM 1327 HD2 ARG 82 -35.023 38.810 -16.294 1.00 64.11 ATOM 1328 NE ARG 82 -32.972 38.956 -16.620 1.00 31.54 ATOM 1329 HE ARG 82 -32.538 38.558 -15.844 1.00 41.32 ATOM 1330 CZ ARG 82 -32.358 38.881 -17.777 1.00 73.11 ATOM 1331 NH1 ARG 82 -32.876 39.411 -18.841 1.00 22.41 ATOM 1332 HH11 ARG 82 -33.754 39.888 -18.787 1.00 14.01 ATOM 1333 HH12 ARG 82 -32.392 39.353 -19.712 1.00 33.33 ATOM 1334 NH2 ARG 82 -31.212 38.285 -17.859 1.00 53.23 ATOM 1335 HH21 ARG 82 -30.797 37.885 -17.047 1.00 65.50 ATOM 1336 HH22 ARG 82 -30.741 38.231 -18.739 1.00 43.34 ATOM 1337 C ARG 82 -31.230 42.686 -16.052 1.00 60.43 ATOM 1338 O ARG 82 -31.651 43.834 -15.887 1.00 34.02 ATOM 1339 N LYS 83 -30.101 42.411 -16.694 1.00 63.14 ATOM 1340 HN LYS 83 -29.743 41.499 -16.644 1.00 38.48 ATOM 1341 CA LYS 83 -29.368 43.420 -17.461 1.00 34.30 ATOM 1342 HA LYS 83 -29.423 44.354 -16.918 1.00 45.14 ATOM 1343 CB LYS 83 -27.893 43.006 -17.595 1.00 0.51 ATOM 1344 HB1 LYS 83 -27.414 43.114 -16.631 1.00 38.48 ATOM 1345 HB2 LYS 83 -27.407 43.666 -18.300 1.00 71.01 ATOM 1346 CG LYS 83 -27.693 41.567 -18.066 1.00 0.42 ATOM 1347 HG1 LYS 83 -28.095 41.468 -19.067 1.00 38.48 ATOM 1348 HG2 LYS 83 -28.228 40.907 -17.400 1.00 53.00 ATOM 1349 CD LYS 83 -26.219 41.163 -18.081 1.00 64.51 ATOM 1350 HD1 LYS 83 -25.791 41.362 -17.108 1.00 38.48 ATOM 1351 HD2 LYS 83 -25.701 41.748 -18.829 1.00 53.35 ATOM 1352 CE LYS 83 -26.045 39.684 -18.406 1.00 65.34 ATOM 1353 HE1 LYS 83 -26.518 39.480 -19.357 1.00 38.48 ATOM 1354 HE2 LYS 83 -26.523 39.097 -17.635 1.00 44.50 ATOM 1355 NZ LYS 83 -24.612 39.293 -18.487 1.00 22.14 ATOM 1356 HZ1 LYS 83 -24.128 39.503 -17.590 1.00 3.34 ATOM 1357 HZ2 LYS 83 -24.140 39.814 -19.252 1.00 61.33 ATOM 1358 HZ3 LYS 83 -24.530 38.275 -18.680 1.00 51.32 ATOM 1359 C LYS 83 -30.015 43.612 -18.843 1.00 71.53 ATOM 1360 O LYS 83 -30.237 42.648 -19.578 1.00 65.41 ATOM 1361 N ARG 84 -30.323 44.856 -19.190 1.00 44.21 ATOM 1362 HN ARG 84 -30.012 45.599 -18.629 1.00 38.48 ATOM 1363 CA ARG 84 -31.099 45.144 -20.400 1.00 52.25 ATOM 1364 HA ARG 84 -31.849 44.370 -20.495 1.00 53.14 ATOM 1365 CB ARG 84 -31.811 46.492 -20.244 1.00 63.52 ATOM 1366 HB1 ARG 84 -32.496 46.625 -21.069 1.00 38.48 ATOM 1367 HB2 ARG 84 -31.074 47.283 -20.264 1.00 33.22 ATOM 1368 CG ARG 84 -32.601 46.598 -18.939 1.00 43.24 ATOM 1369 HG1 ARG 84 -31.909 46.532 -18.109 1.00 38.48 ATOM 1370 HG2 ARG 84 -33.300 45.775 -18.887 1.00 71.44 ATOM 1371 CD ARG 84 -33.378 47.906 -18.833 1.00 15.01 ATOM 1372 HD1 ARG 84 -32.710 48.725 -19.065 1.00 38.48 ATOM 1373 HD2 ARG 84 -33.733 48.014 -17.819 1.00 42.31 ATOM 1374 NE ARG 84 -34.524 47.953 -19.741 1.00 11.30 ATOM 1375 HE ARG 84 -34.714 47.155 -20.277 1.00 23.13 ATOM 1376 CZ ARG 84 -35.322 48.980 -19.854 1.00 44.41 ATOM 1377 NH1 ARG 84 -35.087 50.074 -19.199 1.00 4.14 ATOM 1378 HH11 ARG 84 -34.288 50.137 -18.609 1.00 52.41 ATOM 1379 HH12 ARG 84 -35.715 50.844 -19.276 1.00 15.12 ATOM 1380 NH2 ARG 84 -36.345 48.921 -20.642 1.00 60.14 ATOM 1381 HH21 ARG 84 -36.524 48.088 -21.164 1.00 30.42 ATOM 1382 HH22 ARG 84 -36.958 49.705 -20.723 1.00 44.03 ATOM 1383 C ARG 84 -30.220 45.122 -21.664 1.00 75.54 ATOM 1384 O ARG 84 -29.041 45.477 -21.625 1.00 54.11 ATOM 1385 N LYS 85 -30.809 44.712 -22.788 1.00 60.45 ATOM 1386 HN LYS 85 -31.778 44.557 -22.785 1.00 38.48 ATOM 1387 CA LYS 85 -30.059 44.499 -24.032 1.00 65.23 ATOM 1388 HA LYS 85 -29.153 45.087 -23.984 1.00 25.40 ATOM 1389 CB LYS 85 -29.684 43.012 -24.147 1.00 62.43 ATOM 1390 HB1 LYS 85 -30.590 42.425 -24.087 1.00 38.48 ATOM 1391 HB2 LYS 85 -29.048 42.752 -23.312 1.00 51.53 ATOM 1392 CG LYS 85 -28.955 42.633 -25.437 1.00 31.41 ATOM 1393 HG1 LYS 85 -28.029 43.189 -25.492 1.00 38.48 ATOM 1394 HG2 LYS 85 -29.580 42.887 -26.281 1.00 21.12 ATOM 1395 CD LYS 85 -28.640 41.136 -25.485 1.00 61.23 ATOM 1396 HD1 LYS 85 -29.545 40.580 -25.278 1.00 38.48 ATOM 1397 HD2 LYS 85 -27.900 40.908 -24.732 1.00 30.50 ATOM 1398 CE LYS 85 -28.098 40.703 -26.845 1.00 55.45 ATOM 1399 HE1 LYS 85 -28.836 40.928 -27.601 1.00 38.48 ATOM 1400 HE2 LYS 85 -27.921 39.638 -26.825 1.00 54.22 ATOM 1401 NZ LYS 85 -26.828 41.391 -27.194 1.00 74.14 ATOM 1402 HZ1 LYS 85 -26.468 41.036 -28.104 1.00 75.24 ATOM 1403 HZ2 LYS 85 -26.111 41.218 -26.462 1.00 75.53 ATOM 1404 HZ3 LYS 85 -26.983 42.416 -27.275 1.00 55.35 ATOM 1405 C LYS 85 -30.873 44.941 -25.262 1.00 63.32 ATOM 1406 O LYS 85 -31.815 44.260 -25.674 1.00 10.05 ATOM 1407 N LEU 86 -30.506 46.089 -25.835 1.00 1.51 ATOM 1408 HN LEU 86 -29.751 46.585 -25.456 1.00 38.48 ATOM 1409 CA LEU 86 -31.198 46.633 -27.015 1.00 24.05 ATOM 1410 HA LEU 86 -32.237 46.350 -26.949 1.00 3.54 ATOM 1411 CB LEU 86 -31.105 48.171 -27.038 1.00 51.24 ATOM 1412 HB1 LEU 86 -31.451 48.515 -28.004 1.00 38.48 ATOM 1413 HB2 LEU 86 -30.064 48.448 -26.935 1.00 54.25 ATOM 1414 CG LEU 86 -31.909 48.916 -25.952 1.00 73.33 ATOM 1415 HG LEU 86 -31.838 49.978 -26.140 1.00 43.23 ATOM 1416 CD1 LEU 86 -33.390 48.541 -26.014 1.00 1.00 ATOM 1417 HD11 LEU 86 -33.930 49.081 -25.249 1.00 23.12 ATOM 1418 HD12 LEU 86 -33.504 47.478 -25.849 1.00 20.22 ATOM 1419 HD13 LEU 86 -33.789 48.799 -26.984 1.00 31.25 ATOM 1420 CD2 LEU 86 -31.340 48.653 -24.555 1.00 61.41 ATOM 1421 HD21 LEU 86 -30.303 48.955 -24.523 1.00 13.30 ATOM 1422 HD22 LEU 86 -31.414 47.599 -24.324 1.00 13.32 ATOM 1423 HD23 LEU 86 -31.901 49.220 -23.827 1.00 52.10 ATOM 1424 C LEU 86 -30.617 46.062 -28.320 1.00 4.32 ATOM 1425 O LEU 86 -29.440 45.694 -28.376 1.00 63.44 ATOM 1426 N GLU 87 -31.444 45.991 -29.363 1.00 62.32 ATOM 1427 HN GLU 87 -32.376 46.285 -29.254 1.00 38.48 ATOM 1428 CA GLU 87 -31.007 45.476 -30.669 1.00 43.21 ATOM 1429 HA GLU 87 -30.573 44.498 -30.508 1.00 64.02 ATOM 1430 CB GLU 87 -32.204 45.331 -31.625 1.00 71.44 ATOM 1431 HB1 GLU 87 -31.841 45.001 -32.589 1.00 38.48 ATOM 1432 HB2 GLU 87 -32.673 46.299 -31.744 1.00 21.51 ATOM 1433 CG GLU 87 -33.267 44.348 -31.157 1.00 3.51 ATOM 1434 HG1 GLU 87 -33.671 44.693 -30.216 1.00 38.48 ATOM 1435 HG2 GLU 87 -32.807 43.378 -31.015 1.00 3.54 ATOM 1436 CD GLU 87 -34.401 44.213 -32.159 1.00 64.12 ATOM 1437 OE1 GLU 87 -35.349 45.027 -32.110 1.00 32.40 ATOM 1438 OE2 GLU 87 -34.342 43.309 -33.016 1.00 22.32 ATOM 1439 C GLU 87 -29.953 46.385 -31.323 1.00 45.44 ATOM 1440 O GLU 87 -30.257 47.502 -31.743 1.00 21.41 ATOM 1441 N THR 88 -28.715 45.908 -31.404 1.00 3.15 ATOM 1442 HN THR 88 -28.498 45.063 -30.953 1.00 38.48 ATOM 1443 CA THR 88 -27.666 46.606 -32.154 1.00 73.31 ATOM 1444 HA THR 88 -28.014 47.612 -32.361 1.00 41.21 ATOM 1445 CB THR 88 -26.343 46.706 -31.349 1.00 74.24 ATOM 1446 HB THR 88 -26.053 45.711 -31.040 1.00 41.22 ATOM 1447 OG1 THR 88 -26.540 47.520 -30.177 1.00 50.24 ATOM 1448 HG1 THR 88 -26.976 48.345 -30.434 1.00 41.32 ATOM 1449 CG2 THR 88 -25.220 47.303 -32.194 1.00 64.21 ATOM 1450 HG21 THR 88 -25.018 46.656 -33.035 1.00 40.54 ATOM 1451 HG22 THR 88 -24.328 47.399 -31.592 1.00 14.34 ATOM 1452 HG23 THR 88 -25.518 48.277 -32.554 1.00 15.31 ATOM 1453 C THR 88 -27.416 45.889 -33.487 1.00 73.13 ATOM 1454 O THR 88 -26.791 44.829 -33.528 1.00 22.41 ATOM 1455 N ILE 89 -27.930 46.461 -34.574 1.00 21.34 ATOM 1456 HN ILE 89 -28.347 47.346 -34.495 1.00 38.48 ATOM 1457 CA ILE 89 -27.896 45.805 -35.886 1.00 42.43 ATOM 1458 HA ILE 89 -28.230 44.785 -35.747 1.00 11.44 ATOM 1459 CB ILE 89 -28.869 46.491 -36.881 1.00 5.43 ATOM 1460 HB ILE 89 -28.498 47.486 -37.084 1.00 32.14 ATOM 1461 CG1 ILE 89 -30.276 46.598 -36.264 1.00 74.41 ATOM 1462 HG11 ILE 89 -30.211 47.137 -35.327 1.00 38.48 ATOM 1463 HG12 ILE 89 -30.655 45.606 -36.073 1.00 54.12 ATOM 1464 CG2 ILE 89 -28.919 45.723 -38.205 1.00 12.14 ATOM 1465 HG21 ILE 89 -29.284 44.720 -38.029 1.00 1.12 ATOM 1466 HG22 ILE 89 -27.928 45.674 -38.634 1.00 25.23 ATOM 1467 HG23 ILE 89 -29.582 46.230 -38.891 1.00 73.33 ATOM 1468 CD1 ILE 89 -31.285 47.314 -37.141 1.00 70.44 ATOM 1469 HD11 ILE 89 -32.244 47.332 -36.644 1.00 24.40 ATOM 1470 HD12 ILE 89 -31.379 46.796 -38.085 1.00 11.05 ATOM 1471 HD13 ILE 89 -30.954 48.327 -37.318 1.00 42.02 ATOM 1472 C ILE 89 -26.478 45.771 -36.485 1.00 13.33 ATOM 1473 O ILE 89 -26.073 46.661 -37.240 1.00 40.12 ATOM 1474 N VAL 90 -25.720 44.743 -36.118 1.00 64.51 ATOM 1475 HN VAL 90 -26.063 44.120 -35.443 1.00 38.48 ATOM 1476 CA VAL 90 -24.383 44.519 -36.675 1.00 22.23 ATOM 1477 HA VAL 90 -23.838 45.454 -36.623 1.00 55.11 ATOM 1478 CB VAL 90 -23.611 43.457 -35.846 1.00 70.21 ATOM 1479 HB VAL 90 -23.527 43.826 -34.833 1.00 4.35 ATOM 1480 CG1 VAL 90 -24.373 42.133 -35.800 1.00 63.24 ATOM 1481 HG11 VAL 90 -24.503 41.753 -36.803 1.00 64.42 ATOM 1482 HG12 VAL 90 -25.342 42.288 -35.347 1.00 64.13 ATOM 1483 HG13 VAL 90 -23.816 41.415 -35.215 1.00 42.13 ATOM 1484 CG2 VAL 90 -22.198 43.253 -36.390 1.00 64.13 ATOM 1485 HG21 VAL 90 -22.250 42.933 -37.421 1.00 60.34 ATOM 1486 HG22 VAL 90 -21.692 42.498 -35.805 1.00 72.32 ATOM 1487 HG23 VAL 90 -21.650 44.181 -36.328 1.00 62.12 ATOM 1488 C VAL 90 -24.468 44.071 -38.147 1.00 1.41 ATOM 1489 O VAL 90 -25.398 43.360 -38.537 1.00 2.45 ATOM 1490 N GLN 91 -23.500 44.492 -38.962 1.00 1.32 ATOM 1491 HN GLN 91 -22.761 45.018 -38.589 1.00 38.48 ATOM 1492 HA GLN 91 -24.531 43.977 -40.678 1.00 33.32 ATOM 1493 CB GLN 91 -23.024 45.402 -41.230 1.00 13.11 ATOM 1494 HB1 GLN 91 -23.896 45.928 -41.595 1.00 38.48 ATOM 1495 HB2 GLN 91 -22.459 45.048 -42.080 1.00 20.15 ATOM 1496 CG GLN 91 -22.151 46.408 -40.473 1.00 41.45 ATOM 1497 HG1 GLN 91 -22.687 46.728 -39.590 1.00 38.48 ATOM 1498 HG2 GLN 91 -21.979 47.264 -41.110 1.00 22.24 ATOM 1499 CD GLN 91 -20.803 45.852 -40.042 1.00 41.03 ATOM 1500 OE1 GLN 91 -20.655 45.326 -38.940 1.00 62.21 ATOM 1501 NE2 GLN 91 -19.811 45.963 -40.900 1.00 74.44 ATOM 1502 HE21 GLN 91 -19.988 46.394 -41.761 1.00 31.31 ATOM 1503 HE22 GLN 91 -18.938 45.604 -40.642 1.00 62.22 ATOM 1504 CA GLN 91 -23.501 44.181 -40.404 1.00 24.33 ATOM 1505 C GLN 91 -22.670 42.919 -40.736 1.00 63.12 ATOM 1506 OT1 GLN 91 -21.424 43.000 -40.789 1.00 38.48 ATOM 1507 OT2 GLN 91 -23.277 41.844 -40.962 1.00 38.48 ATOM 1508 OH2 TIP3 1 -25.154 15.526 14.460 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -24.201 15.716 14.296 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -25.257 14.601 14.202 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -24.576 13.730 18.468 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -24.833 13.838 19.400 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -25.013 14.474 18.010 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -26.519 35.144 -20.442 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -27.242 34.978 -19.798 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -26.844 34.762 -21.265 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -31.557 33.320 -21.661 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -32.477 33.040 -21.821 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -31.330 33.851 -22.451 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -27.571 37.344 -25.084 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.039 37.336 -25.953 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -26.642 37.266 -25.318 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -35.235 31.598 -17.344 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -35.357 32.319 -16.693 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -35.726 30.843 -16.953 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -28.674 36.630 -17.015 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -27.891 36.194 -16.601 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -28.856 36.079 -17.801 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -28.555 34.423 -18.705 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -28.339 33.926 -17.897 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -29.396 34.019 -19.014 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -36.529 36.059 -17.855 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -37.059 36.859 -17.649 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -37.128 35.309 -17.638 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -33.573 33.395 -18.565 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -34.066 32.644 -18.168 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -34.120 33.655 -19.337 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -34.161 33.727 -24.824 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -34.653 33.028 -25.273 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -34.208 33.478 -23.872 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -34.871 30.959 -20.109 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -35.203 31.187 -19.220 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -34.377 30.146 -19.975 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -31.584 34.735 -24.113 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -32.450 34.415 -24.420 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -31.178 35.123 -24.906 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -30.911 33.053 -19.013 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -30.930 33.041 -19.999 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -31.856 33.123 -18.763 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -30.890 30.682 -8.985 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -30.683 31.603 -8.717 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.481 30.355 -8.278 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -32.838 34.733 -7.744 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -33.780 34.866 -7.504 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -32.685 35.387 -8.464 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -26.740 19.301 -4.124 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -26.580 18.582 -4.767 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -27.588 19.056 -3.696 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -36.752 27.710 -14.326 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -37.339 26.986 -14.095 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -36.294 27.924 -13.491 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -32.861 29.906 -7.164 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -33.536 29.245 -7.343 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -33.327 30.768 -7.295 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -35.599 28.380 -11.872 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -35.297 29.256 -12.226 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -34.856 28.072 -11.346 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -30.070 29.749 -11.396 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -30.843 29.962 -11.925 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -30.286 30.104 -10.500 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -28.672 28.265 0.127 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -28.925 28.066 -0.796 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -29.189 29.082 0.348 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -27.784 25.090 -4.023 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -27.827 24.778 -4.957 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -27.348 24.346 -3.542 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -32.868 22.361 -0.562 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -32.364 22.960 0.031 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -33.788 22.613 -0.427 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -30.491 33.311 -8.173 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -29.743 33.913 -8.331 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -31.267 33.901 -8.106 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -38.090 29.580 -11.594 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -37.259 29.067 -11.646 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -38.556 29.201 -10.845 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -29.619 32.722 -16.496 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -30.300 33.226 -16.010 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -30.007 32.596 -17.384 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -33.391 32.785 -13.971 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -32.753 33.144 -14.624 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -32.932 32.857 -13.126 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -25.532 20.643 2.220 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -25.220 19.751 2.450 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -26.449 20.503 1.915 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -30.396 21.304 -4.458 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -31.015 21.452 -5.183 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -30.637 21.997 -3.793 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -28.806 27.013 -2.418 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -28.523 26.227 -2.944 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -28.710 27.760 -3.044 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -36.921 29.953 -15.904 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -37.133 30.508 -15.117 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -36.820 29.048 -15.531 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -31.866 28.564 -2.006 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -31.223 29.273 -1.859 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -31.988 28.552 -2.982 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -35.666 33.597 -15.405 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -34.959 33.293 -14.800 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -36.059 34.368 -14.942 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -31.705 29.099 -4.719 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -31.526 29.996 -4.365 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -32.050 29.264 -5.616 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -26.707 31.222 -11.830 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -26.996 30.280 -11.864 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -26.936 31.569 -12.711 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -34.905 30.761 -12.867 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -34.326 31.383 -13.345 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -35.814 31.042 -13.120 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -37.452 31.320 -13.626 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -37.940 32.176 -13.612 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -37.873 30.791 -12.912 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -38.608 33.788 -13.472 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -37.952 34.481 -13.682 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -39.213 34.212 -12.860 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -29.354 19.061 -3.250 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.750 19.865 -3.657 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.557 19.154 -2.296 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -37.812 33.714 -17.228 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -37.132 33.534 -16.547 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -38.086 32.817 -17.534 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -32.527 31.888 -1.255 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -32.311 32.668 -0.708 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -32.802 31.211 -0.608 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -38.492 31.145 -17.800 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -37.948 30.667 -17.135 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -39.068 30.468 -18.163 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -30.846 26.277 -0.752 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -30.084 26.420 -1.351 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -31.505 26.940 -1.051 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -33.230 29.597 0.236 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.049 29.204 -0.638 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -32.756 29.002 0.864 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -31.293 23.148 -2.699 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -31.884 22.831 -1.984 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -31.203 24.093 -2.531 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -31.185 24.032 0.751 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -30.278 23.679 0.647 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -31.155 24.906 0.297 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -36.814 35.859 -14.169 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -36.266 36.516 -13.682 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -37.479 36.407 -14.637 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -27.653 28.768 -12.109 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -28.538 29.120 -11.838 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -27.859 28.139 -12.827 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -27.219 29.921 -6.817 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -27.280 30.655 -7.472 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -27.737 29.192 -7.226 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -27.806 28.796 -4.391 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -27.072 28.156 -4.485 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -27.761 29.332 -5.213 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -28.375 27.080 -14.244 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -29.099 26.541 -14.578 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -27.572 26.514 -14.373 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -27.741 21.711 -5.088 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -27.337 20.844 -4.876 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -28.701 21.571 -4.937 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -27.869 20.074 0.788 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -27.344 19.255 0.930 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -28.637 19.777 0.262 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -30.255 19.422 -0.616 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -30.741 18.620 -0.387 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -30.918 20.127 -0.561 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -31.306 31.543 -3.641 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -31.875 31.714 -2.849 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -31.377 32.367 -4.167 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -31.236 33.947 -5.005 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -31.368 33.925 -5.965 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -31.694 34.749 -4.722 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -28.855 33.303 -3.520 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -29.613 33.556 -4.079 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -29.241 33.182 -2.639 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -33.814 35.812 -17.381 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -33.694 34.963 -17.855 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -34.784 35.894 -17.284 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -29.090 30.347 -2.495 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -29.804 30.837 -2.962 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -28.638 29.849 -3.208 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -28.786 28.003 7.258 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -29.044 28.598 6.514 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -28.240 28.564 7.832 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -26.824 21.170 11.311 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -26.777 21.936 11.930 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -27.525 20.600 11.693 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -27.114 23.078 13.255 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -27.430 24.000 13.169 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -26.609 23.074 14.103 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -29.002 16.867 12.670 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -29.321 17.100 11.769 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -29.558 16.125 12.932 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -28.148 27.617 13.962 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -28.200 28.321 13.282 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -28.359 26.793 13.467 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -28.978 19.654 12.193 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -28.950 18.955 12.869 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -29.262 19.186 11.381 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -31.929 30.545 5.209 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -32.116 30.615 6.147 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -31.072 30.066 5.169 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -28.766 25.722 4.185 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -28.777 24.747 4.308 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -28.710 26.070 5.080 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -27.060 29.305 15.792 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -27.834 29.895 15.959 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -27.367 28.713 15.070 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -28.332 25.358 7.345 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -29.099 24.816 7.103 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -28.679 26.285 7.351 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -30.804 22.307 2.924 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.544 21.710 3.073 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -31.177 23.020 2.363 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -24.971 30.292 17.273 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -24.990 29.818 18.139 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -25.757 29.945 16.797 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -31.895 32.087 2.939 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -32.770 31.905 2.538 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -31.891 31.543 3.759 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -28.224 32.028 4.944 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -27.311 32.163 5.209 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -28.620 32.923 4.984 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -25.813 23.191 15.648 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -26.041 23.667 16.472 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -25.004 22.713 15.866 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -31.775 27.735 1.578 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -31.336 27.098 0.998 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -31.086 27.986 2.223 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -27.823 26.736 16.693 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -27.371 27.596 16.769 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -28.113 26.706 15.760 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -28.753 22.701 1.039 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -28.356 21.843 0.770 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -29.220 22.493 1.873 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -28.785 28.915 19.839 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -29.109 28.037 19.557 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -29.102 29.516 19.157 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -29.393 29.581 5.153 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -28.961 30.455 4.995 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -29.340 29.123 4.281 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -28.743 25.256 12.664 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -29.512 24.665 12.674 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -28.464 25.269 11.718 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -29.322 28.038 2.882 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -29.060 27.155 3.234 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -28.933 28.066 1.991 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -29.173 32.519 -0.789 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -28.358 33.010 -0.553 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -28.853 31.743 -1.302 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -28.945 23.084 4.784 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -29.612 22.702 4.181 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -29.223 22.777 5.674 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -29.624 22.294 12.383 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -28.787 22.556 12.816 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -29.643 21.320 12.475 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -28.163 24.724 10.054 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -28.398 23.786 9.922 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -28.135 25.090 9.152 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -28.052 29.630 11.981 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -27.524 28.915 11.559 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -28.664 29.914 11.291 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -30.113 30.476 0.881 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -30.615 30.844 1.629 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -29.921 31.248 0.321 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -34.345 31.472 1.861 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.085 31.039 2.294 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -34.014 30.799 1.221 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -24.429 30.827 10.481 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -25.191 31.222 10.955 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -23.653 31.175 10.955 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -26.291 31.719 12.270 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -26.971 31.013 12.319 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -25.819 31.658 13.124 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -26.803 28.335 21.568 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -27.536 28.690 21.009 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -26.617 29.044 22.196 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -29.903 32.730 14.382 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.564 33.423 14.324 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -29.369 32.839 13.559 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -30.018 22.484 7.222 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -29.539 22.306 8.063 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -30.939 22.304 7.434 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -29.108 26.217 19.110 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -29.271 25.251 19.073 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -28.758 26.432 18.220 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -26.653 24.542 17.923 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -27.471 24.079 18.190 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -26.974 25.342 17.453 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -26.479 22.961 -3.015 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -25.792 22.335 -2.715 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -26.902 22.502 -3.769 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -29.693 17.820 10.215 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -29.041 17.463 9.558 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -30.512 17.898 9.712 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -28.934 22.107 9.701 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -29.412 22.214 10.553 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -28.104 21.657 9.951 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -29.058 23.457 18.843 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -29.912 23.012 18.793 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -28.489 22.829 19.341 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -24.881 16.850 19.739 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -25.180 16.603 18.835 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -25.248 17.748 19.874 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -25.883 16.722 3.990 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -26.665 16.277 4.329 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -25.170 16.454 4.605 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -27.322 18.199 17.956 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -26.839 18.635 18.691 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -28.160 18.664 17.916 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -26.107 17.978 1.577 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -25.269 17.729 1.131 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -26.075 17.490 2.432 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -28.562 33.305 12.086 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -28.610 33.892 11.301 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -27.663 32.924 12.045 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -25.758 16.043 17.276 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -25.576 15.949 16.321 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -26.408 16.782 17.326 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -27.987 16.811 8.370 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -27.460 17.399 7.786 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -27.633 15.917 8.187 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -26.042 18.109 6.977 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -25.390 17.418 6.732 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -26.025 18.724 6.234 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -33.681 34.802 1.065 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.812 34.471 0.748 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -34.136 34.009 1.373 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -29.351 30.709 16.134 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -29.379 31.477 15.514 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -30.273 30.555 16.355 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -22.936 28.839 21.399 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -21.987 28.797 21.154 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -23.032 29.729 21.816 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -27.841 25.806 21.506 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -27.467 26.683 21.744 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -28.432 25.999 20.749 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -28.463 23.244 22.215 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -28.244 24.189 22.054 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -28.892 23.246 23.075 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -25.364 14.573 21.126 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -26.322 14.640 21.200 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -25.088 15.448 20.764 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -26.039 36.634 -41.881 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -25.411 36.197 -42.491 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -25.505 36.820 -41.084 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -24.574 39.609 -41.885 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -24.774 39.696 -42.839 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -24.101 40.440 -41.661 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -33.983 47.410 -39.072 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -33.375 46.968 -39.709 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -34.442 46.671 -38.635 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -27.386 42.633 -40.199 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -27.188 41.675 -40.247 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -26.693 42.992 -39.616 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.048 42.712 -39.158 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -32.309 42.106 -39.391 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -33.335 43.083 -40.024 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -32.352 46.011 -40.772 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -31.528 45.844 -41.273 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -32.950 45.290 -41.053 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -37.215 43.394 -42.778 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -36.987 43.781 -41.911 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -36.476 43.664 -43.362 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -36.485 44.307 -40.225 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -37.385 44.149 -39.866 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -35.958 44.565 -39.439 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.815 43.969 -44.032 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -34.540 43.150 -44.498 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -34.055 44.577 -44.156 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -32.692 41.697 -36.652 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -31.816 41.259 -36.716 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -32.851 42.051 -37.557 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -31.059 40.931 -39.565 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -30.757 40.244 -40.194 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -30.735 40.618 -38.691 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -38.881 41.315 -42.325 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -39.392 41.267 -43.134 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -38.249 42.055 -42.484 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -33.572 41.733 -45.016 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -33.747 40.998 -45.607 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.312 41.304 -44.166 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -32.763 51.745 -37.573 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -32.818 52.534 -38.123 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -32.559 51.020 -38.212 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -29.709 42.452 -41.546 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -28.812 42.637 -41.174 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -30.234 42.181 -40.771 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -34.029 43.896 -41.395 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -34.930 44.054 -41.039 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -34.160 43.864 -42.365 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -38.548 40.071 -37.135 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -38.551 40.381 -38.075 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -39.106 39.291 -37.145 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -34.732 44.768 -38.127 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -34.103 44.119 -38.500 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -34.672 44.625 -37.163 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -30.187 45.081 -42.336 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -30.046 44.140 -42.097 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -29.276 45.456 -42.374 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -32.216 44.747 -44.186 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -31.930 43.917 -44.581 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -31.484 44.990 -43.579 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -32.438 49.702 -39.331 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -33.073 48.957 -39.234 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -31.819 49.395 -40.000 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -30.285 40.288 -36.968 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -30.341 39.873 -36.080 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -29.343 40.166 -37.226 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -40.514 47.281 -34.947 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -40.670 47.559 -35.852 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -39.546 47.098 -34.914 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -35.137 46.215 -34.577 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -34.591 45.597 -35.104 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -35.247 45.757 -33.712 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -38.847 43.806 -38.922 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -39.680 44.274 -38.816 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -38.629 43.491 -38.009 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -33.774 44.008 -35.574 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -33.267 43.266 -35.964 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -33.912 43.733 -34.635 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -38.718 41.102 -39.626 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -38.740 42.068 -39.496 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -38.799 40.992 -40.601 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -34.973 40.633 -35.403 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -35.360 40.169 -36.155 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -34.125 40.989 -35.751 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -32.886 40.478 -42.714 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -33.265 40.689 -41.854 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -32.000 40.114 -42.504 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -24.175 48.515 -37.305 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -24.073 48.871 -38.222 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -24.938 47.904 -37.371 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -27.537 45.791 -42.316 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -27.058 45.927 -41.477 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -26.830 45.715 -42.984 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -27.572 48.962 -39.828 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -27.967 49.197 -40.674 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -27.117 49.780 -39.537 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -28.008 38.348 -42.717 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -27.750 38.426 -43.642 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -27.433 37.622 -42.369 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -30.311 39.752 -41.994 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -29.603 39.127 -42.261 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -29.903 40.637 -42.100 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -27.079 39.911 -40.588 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -27.548 39.387 -41.267 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -26.134 39.747 -40.775 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -34.808 48.803 -33.840 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -34.920 47.856 -34.091 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -34.627 49.256 -34.700 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -34.263 49.793 -36.303 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -34.327 49.148 -37.021 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -33.765 50.538 -36.693 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -26.160 51.235 -39.152 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -26.010 51.207 -38.173 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -26.124 52.174 -39.366 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -34.126 42.911 -25.797 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -33.201 43.232 -25.759 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -34.256 42.670 -26.746 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -35.424 45.274 -25.551 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -34.937 44.422 -25.498 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -36.310 45.015 -25.897 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -26.374 41.499 -21.862 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -25.495 41.388 -21.441 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -26.382 42.414 -22.158 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -32.341 41.001 -28.916 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -32.554 40.448 -29.698 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -33.151 41.532 -28.769 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -34.277 37.483 -29.796 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -35.228 37.605 -29.705 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -34.057 36.815 -29.136 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -38.283 42.867 -29.015 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -37.463 42.727 -29.530 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -38.934 43.171 -29.681 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -36.406 47.666 -24.443 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -36.858 48.197 -25.134 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -36.056 46.890 -24.928 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -30.944 35.694 -26.818 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -31.922 35.798 -26.870 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -30.768 34.881 -27.303 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -40.272 47.962 -22.000 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -41.133 47.686 -22.332 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -39.961 48.625 -22.660 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -29.394 38.230 -23.298 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -28.708 37.833 -23.890 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -30.202 38.192 -23.819 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -36.547 42.680 -34.437 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -36.172 41.856 -34.811 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -35.809 43.050 -33.897 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -38.121 46.618 -27.604 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -38.754 46.944 -28.291 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -37.239 46.830 -27.979 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -37.960 49.055 -26.285 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -38.219 48.216 -26.719 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -37.678 49.630 -27.030 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -33.625 45.581 -23.239 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -33.706 46.546 -23.043 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -34.081 45.475 -24.092 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -37.655 46.987 -22.111 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -38.605 47.197 -22.168 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -37.319 47.145 -23.018 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -39.412 47.963 -29.529 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -40.342 47.886 -29.833 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -39.019 48.626 -30.129 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -26.997 47.103 -21.441 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -26.944 47.259 -20.493 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -27.681 46.404 -21.533 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -32.266 49.976 -33.546 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -33.104 49.476 -33.589 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -32.133 50.138 -32.580 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -29.633 49.240 -33.533 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -30.494 49.663 -33.755 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -29.865 48.598 -32.819 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -34.241 45.516 -28.062 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -34.789 46.240 -28.431 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -34.503 45.477 -27.125 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -34.268 32.815 -22.183 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -34.731 33.497 -21.648 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -34.433 31.983 -21.692 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -37.690 44.124 -26.592 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -38.033 45.010 -26.848 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -37.903 43.558 -27.366 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -34.422 42.747 -28.482 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -34.391 43.724 -28.569 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -35.051 42.462 -29.183 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -32.889 39.449 -31.082 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -33.586 39.867 -31.638 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.341 38.677 -30.671 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -39.841 40.902 -31.634 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -39.904 41.869 -31.475 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -40.232 40.780 -32.503 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -33.664 35.709 -26.692 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.920 35.005 -26.056 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.230 36.453 -26.460 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -39.820 43.595 -31.232 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -39.063 43.866 -31.803 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -40.461 44.318 -31.336 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -32.266 50.886 -19.633 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -32.131 51.817 -19.358 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -31.390 50.602 -19.957 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -36.141 41.724 -30.352 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -35.657 41.444 -31.157 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -36.730 40.966 -30.153 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -37.312 40.571 -22.603 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -38.186 40.345 -22.942 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -36.909 41.112 -23.320 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -30.271 39.273 -31.771 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -30.290 39.424 -32.734 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -31.203 39.420 -31.488 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -34.760 40.736 -32.574 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -34.481 41.678 -32.721 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -34.926 40.398 -33.475 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -36.281 43.665 -18.769 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -35.901 44.563 -18.831 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -36.645 43.500 -19.662 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -37.073 50.152 -28.706 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -36.788 51.098 -28.724 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -37.607 50.053 -29.521 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -35.827 47.694 -28.639 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.526 47.671 -29.581 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -36.183 48.604 -28.527 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -36.717 52.820 -28.922 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -36.208 53.521 -28.469 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -37.651 53.123 -28.862 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -27.989 49.646 -35.649 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -28.617 49.612 -36.381 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -28.554 49.643 -34.847 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -37.918 46.534 -34.699 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -37.964 45.764 -34.100 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -36.964 46.629 -34.888 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -41.872 47.594 -30.668 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -41.426 47.026 -31.336 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -42.808 47.445 -30.819 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -38.230 40.072 -29.585 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -38.834 40.148 -30.357 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -38.419 40.868 -29.060 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -36.794 50.650 -33.174 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -36.456 51.368 -33.717 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -36.159 49.919 -33.321 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -38.500 50.003 -31.158 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -37.794 50.259 -31.798 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -39.319 50.177 -31.634 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -39.547 47.760 -19.255 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -40.318 47.234 -19.027 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -39.649 47.932 -20.214 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -40.538 46.071 -32.499 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -39.598 45.835 -32.538 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -40.714 46.499 -33.370 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -34.999 45.205 -20.877 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -34.460 45.280 -21.689 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -35.609 44.468 -21.066 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -37.880 44.489 -32.854 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -37.626 43.767 -33.470 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -37.023 44.748 -32.426 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -36.708 43.101 -21.496 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -36.864 42.140 -21.570 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -36.785 43.421 -22.410 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -38.369 42.750 -36.491 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -38.482 41.780 -36.581 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -37.731 42.849 -35.756 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -35.084 41.135 -19.143 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -35.444 42.026 -18.961 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -35.853 40.627 -19.467 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -36.751 39.190 -20.231 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -36.135 38.445 -20.379 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -36.906 39.559 -21.129 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.536 42.415 -24.515 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -35.622 42.438 -24.871 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -37.066 42.886 -25.190 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -37.779 41.005 -16.397 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -38.452 41.000 -15.690 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -37.352 41.880 -16.312 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -34.963 37.101 -19.809 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -35.550 36.814 -19.072 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -34.084 37.139 -19.406 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -37.553 38.623 -17.634 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -37.613 39.508 -17.196 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -37.406 38.838 -18.581 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -38.724 37.387 -15.449 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -38.369 37.896 -16.210 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -39.260 36.670 -15.869 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -33.701 54.853 -30.228 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -34.229 54.250 -30.769 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -33.606 55.659 -30.792 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -28.239 49.057 -22.862 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -27.865 49.109 -23.767 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -27.698 48.364 -22.421 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -27.529 38.542 -34.878 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -27.269 38.521 -35.810 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -26.710 38.800 -34.407 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -30.159 38.944 -34.549 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -29.172 38.875 -34.599 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -30.450 38.037 -34.413 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -30.117 42.476 -29.045 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -30.845 41.810 -29.097 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -30.474 43.164 -28.478 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -27.529 38.495 -15.372 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -27.957 37.862 -15.980 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -28.213 39.165 -15.210 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -28.692 37.808 -30.170 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -28.588 37.050 -30.754 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -29.272 38.429 -30.682 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -27.688 39.694 -37.831 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -27.587 39.762 -38.802 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -26.788 39.497 -37.514 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -38.150 50.914 -21.642 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -38.436 51.767 -21.994 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -38.445 50.271 -22.317 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -30.060 38.412 -20.420 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -29.145 38.751 -20.456 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -30.204 38.038 -21.306 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -37.416 51.510 -18.819 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -37.920 51.837 -19.579 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -37.121 52.323 -18.354 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -31.376 51.961 -22.957 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -31.713 52.605 -23.617 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -30.908 52.514 -22.306 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -39.201 49.615 -23.879 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -39.413 50.563 -24.057 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -38.747 49.318 -24.700 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -38.935 36.909 -27.327 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -39.884 36.786 -27.405 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -38.740 37.648 -27.911 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -28.878 37.449 -27.437 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -28.869 37.616 -28.405 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -29.699 36.936 -27.289 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -26.722 39.705 -29.606 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -26.079 39.629 -30.340 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -27.380 39.004 -29.788 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -34.963 47.528 -31.175 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -35.119 46.610 -31.506 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -34.918 48.067 -31.982 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -27.788 49.985 -31.563 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -28.367 49.798 -32.327 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -28.311 50.610 -31.019 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -35.432 34.443 -20.351 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -35.265 35.407 -20.394 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -36.284 34.370 -19.897 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -34.264 48.134 -22.812 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -35.075 48.157 -23.366 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -34.147 49.061 -22.517 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -34.816 45.183 -6.699 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -34.291 44.365 -6.560 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -34.375 45.625 -7.462 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -38.556 42.419 -6.158 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -39.254 42.479 -5.472 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -37.817 42.963 -5.793 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -36.928 38.938 -7.757 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -36.428 39.636 -7.274 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -36.238 38.340 -8.091 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -35.313 45.863 -15.689 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -34.394 46.187 -15.722 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -35.716 46.194 -16.522 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -37.631 46.448 -3.887 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -37.793 46.867 -3.016 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -36.672 46.627 -4.063 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -34.117 32.237 -7.767 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -34.989 32.639 -7.882 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -33.498 32.984 -7.863 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -29.400 48.042 -6.589 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -29.067 48.719 -7.219 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -30.142 47.621 -7.063 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -31.091 46.839 -12.737 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -31.782 46.576 -12.101 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -30.248 46.659 -12.266 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -27.359 46.212 -3.365 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -27.785 47.093 -3.430 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -26.405 46.399 -3.541 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -33.593 46.354 -8.815 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -33.780 46.558 -9.754 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -32.642 46.550 -8.714 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -35.005 46.641 -4.329 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -34.150 46.847 -3.900 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -34.755 46.259 -5.193 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -39.690 42.017 -8.634 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -39.349 41.884 -7.725 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -39.748 42.981 -8.724 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -38.144 47.641 -1.426 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -38.173 46.844 -0.850 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -39.052 48.017 -1.362 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -30.823 46.652 -8.612 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -30.796 45.698 -8.854 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -30.257 47.076 -9.265 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -28.411 46.804 -17.878 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -28.286 47.596 -18.447 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.040 47.063 -17.029 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -36.100 48.804 0.034 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -36.400 49.674 0.312 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -36.813 48.481 -0.559 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -30.985 54.577 -11.673 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -31.178 55.483 -11.926 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -31.831 54.100 -11.822 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -32.830 50.926 -13.500 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -33.314 50.072 -13.544 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -31.889 50.663 -13.549 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -28.473 50.411 -11.885 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -29.235 50.165 -12.443 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -28.687 51.319 -11.572 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.935 38.687 -1.884 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -33.195 38.754 -2.518 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -34.670 39.178 -2.321 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -31.532 39.406 -3.112 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -31.421 39.632 -2.166 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -30.634 39.514 -3.492 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -38.150 36.451 -8.184 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -37.996 37.314 -7.764 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -38.376 36.672 -9.104 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -36.779 44.109 -5.137 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -36.128 44.516 -5.755 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -37.192 44.876 -4.690 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -39.945 35.290 -16.580 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -39.212 34.657 -16.746 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -40.730 34.824 -16.878 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -32.429 41.739 -11.455 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -32.808 42.568 -11.836 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -32.888 41.637 -10.611 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -39.700 38.477 -13.164 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -39.267 38.111 -13.972 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -40.566 38.056 -13.150 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -39.520 41.084 -14.231 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -39.457 40.236 -13.739 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -40.461 41.293 -14.220 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -35.430 41.350 -9.774 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -36.357 41.037 -9.803 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -35.454 42.204 -10.267 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -35.287 40.955 -7.054 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -35.258 41.123 -8.020 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -34.778 41.692 -6.673 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -35.958 43.485 -11.267 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -36.333 44.224 -10.731 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -36.569 43.406 -12.031 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -35.732 44.846 -1.134 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -36.577 45.187 -0.783 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -35.105 45.593 -1.013 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -33.588 43.920 -12.511 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -34.438 43.830 -12.023 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -33.736 44.668 -13.102 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -38.657 42.886 -0.391 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -38.929 42.457 -1.211 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -38.449 42.139 0.215 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -32.747 47.013 -2.774 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -33.266 47.029 -1.941 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -32.317 46.123 -2.769 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -26.488 43.595 -1.723 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -26.337 44.336 -2.329 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -25.677 43.570 -1.167 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -28.513 46.699 -11.630 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -28.090 46.120 -10.962 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -28.061 47.559 -11.513 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -36.830 45.300 -9.438 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -37.607 45.098 -8.874 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -36.173 45.643 -8.820 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -40.644 48.698 -1.218 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -40.908 49.409 -1.809 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -41.341 48.669 -0.553 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -32.473 46.257 -15.109 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -32.201 45.389 -15.479 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -31.872 46.386 -14.345 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -30.820 48.984 -2.902 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -31.447 48.226 -2.905 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -31.386 49.756 -2.825 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -27.555 45.607 -14.118 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -27.658 44.667 -13.934 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -27.905 46.048 -13.320 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -36.711 46.463 -18.022 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -37.398 46.172 -18.634 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -36.935 47.399 -17.842 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -35.894 45.988 -13.012 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -35.762 45.956 -13.983 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -36.757 46.399 -12.904 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -32.736 37.303 0.224 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -33.147 36.461 0.519 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -33.297 37.595 -0.523 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -33.816 47.009 -11.561 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -33.728 47.717 -12.229 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -34.619 46.519 -11.843 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -36.825 40.195 -12.368 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -36.871 41.077 -12.789 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -37.340 40.298 -11.546 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -35.752 40.185 -3.271 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -35.765 41.154 -3.088 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -36.573 40.022 -3.746 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -35.635 37.261 -9.769 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -35.173 38.012 -10.196 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -36.507 37.231 -10.219 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -35.269 49.039 -16.194 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -35.220 50.003 -16.007 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -36.134 48.926 -16.636 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -38.252 37.775 -10.766 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -38.223 38.698 -10.440 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -38.659 37.851 -11.649 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -26.338 50.200 -6.585 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -26.168 50.429 -5.653 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -26.013 49.278 -6.666 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -35.191 42.580 0.263 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -36.028 42.090 0.265 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -35.410 43.426 -0.189 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -33.807 48.425 -13.984 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -33.285 47.686 -14.353 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -34.445 48.643 -14.699 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -36.637 43.502 -16.040 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -36.145 44.314 -15.787 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -36.609 43.508 -17.022 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -38.118 45.468 0.188 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -38.263 45.493 1.140 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -38.394 44.555 -0.074 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -37.993 40.322 -9.840 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -38.702 40.949 -9.552 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -37.744 39.848 -9.010 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -40.401 43.499 -4.464 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -40.203 44.400 -4.797 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -41.308 43.555 -4.155 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -37.380 42.648 -13.506 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -37.030 43.002 -14.352 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -38.239 42.247 -13.754 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -35.635 42.869 -3.010 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -35.630 43.608 -2.361 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -36.028 43.267 -3.818 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -39.749 45.989 -5.455 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -40.118 46.864 -5.613 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -38.966 46.159 -4.873 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -31.696 44.579 -2.431 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -32.134 43.771 -2.102 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -30.768 44.487 -2.132 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -37.790 40.872 1.231 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -37.662 40.934 2.184 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -37.752 39.906 1.048 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -31.825 40.074 -0.471 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -32.682 39.610 -0.468 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -32.056 40.993 -0.717 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -33.011 35.716 5.813 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -33.742 35.375 6.339 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -33.152 36.692 5.807 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -34.915 51.635 -15.476 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -35.485 52.342 -15.104 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -34.140 51.619 -14.887 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -22.281 48.357 -6.461 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -22.693 48.682 -5.626 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -22.426 49.076 -7.087 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -28.375 48.695 -4.026 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -29.198 48.846 -3.502 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -28.700 48.563 -4.943 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -26.357 41.022 -0.608 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -26.139 41.396 0.268 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -26.496 41.805 -1.172 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -28.371 49.880 -8.358 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -28.633 50.694 -8.810 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -27.649 50.162 -7.745 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -38.880 44.620 -7.738 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -38.648 43.796 -7.265 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -39.258 45.193 -7.042 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -33.979 39.203 -10.687 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -34.575 39.983 -10.696 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -33.292 39.442 -10.025 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -35.641 35.114 -8.011 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -36.577 35.156 -7.741 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -35.564 35.816 -8.688 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -32.930 36.573 -9.768 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -32.638 37.327 -10.293 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -33.902 36.663 -9.744 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -35.445 37.943 -12.929 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -36.074 38.701 -12.886 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -34.737 38.195 -12.318 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -33.311 53.182 -12.024 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -33.140 52.413 -12.613 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -33.705 52.795 -11.238 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -30.457 49.403 -13.558 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -30.790 48.537 -13.236 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -29.896 49.176 -14.306 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -37.677 49.003 -17.611 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -38.438 48.640 -18.114 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -37.592 49.922 -17.940 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -31.277 33.987 0.111 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -30.566 33.427 -0.272 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -30.798 34.608 0.700 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -30.508 36.102 7.090 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -31.294 35.880 6.548 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -30.867 36.689 7.796 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -33.120 42.314 -1.599 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -33.703 42.368 -2.379 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -33.734 42.398 -0.840 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -31.132 40.168 5.555 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -31.519 40.142 4.657 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -30.162 40.220 5.396 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -29.442 35.663 1.331 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -28.909 35.743 2.153 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -28.841 35.216 0.706 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -33.581 41.517 2.199 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -34.157 41.969 1.548 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -32.841 42.149 2.348 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -37.607 38.128 1.124 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -36.733 37.742 0.981 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -38.193 37.368 1.206 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -32.516 40.341 7.919 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -31.932 40.410 7.127 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -32.563 41.242 8.256 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -33.254 38.423 6.006 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -33.596 38.918 6.768 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -32.381 38.832 5.833 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -28.476 39.945 4.917 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -28.290 39.218 5.546 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -27.606 40.354 4.761 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -32.542 39.343 3.338 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -33.239 38.951 3.892 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -32.995 40.097 2.879 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -34.152 46.957 -0.395 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -34.846 47.643 -0.245 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -33.612 46.989 0.401 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -29.518 44.222 1.160 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -28.612 44.490 1.344 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -29.611 44.343 0.196 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -31.469 43.163 2.790 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -30.774 43.460 2.160 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -31.445 43.817 3.492 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -31.790 37.805 8.825 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -32.041 38.712 8.546 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -31.904 37.812 9.779 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -28.250 37.683 6.538 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -27.678 37.186 5.929 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -29.046 37.119 6.637 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -29.034 34.664 5.186 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -29.395 34.971 6.041 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -29.825 34.645 4.588 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -28.509 35.039 9.909 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -27.772 35.661 10.090 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -28.876 35.342 9.072 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -26.300 36.630 10.458 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -25.433 36.221 10.251 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -26.201 36.939 11.376 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -31.307 34.674 3.816 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -32.096 34.943 4.326 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -31.560 33.815 3.412 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -32.344 54.755 -33.500 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -32.577 53.940 -34.007 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -31.406 54.653 -33.316 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -33.541 56.759 -32.139 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -33.635 57.525 -32.709 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -33.125 56.077 -32.717 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -24.229 49.382 -39.898 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -24.393 49.037 -40.795 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -24.888 50.094 -39.790 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -32.577 52.402 -34.842 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -32.474 51.542 -34.383 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -32.608 52.164 -35.789 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -28.216 53.527 -22.803 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -27.488 53.933 -23.319 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -28.428 52.714 -23.299 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -30.467 56.015 -28.175 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -31.264 56.591 -28.254 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -30.197 56.115 -27.255 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -28.413 53.175 -26.709 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -28.726 52.645 -25.941 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -28.023 52.509 -27.314 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -30.375 54.124 -21.300 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -29.474 53.904 -21.646 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -30.647 54.887 -21.824 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -40.748 53.692 -26.211 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -41.700 53.831 -26.208 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -40.392 54.449 -25.684 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -29.445 51.724 -30.096 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -30.015 52.477 -29.826 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -28.679 51.773 -29.484 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -39.404 52.277 -24.233 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -39.925 52.616 -24.990 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -38.662 52.912 -24.154 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -33.898 56.153 -25.694 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -34.507 56.249 -24.933 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -33.232 55.513 -25.382 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -32.759 53.769 -24.515 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -32.722 53.453 -25.452 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -33.619 53.460 -24.194 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -38.864 58.107 -24.450 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -38.340 58.554 -25.122 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -39.377 58.811 -24.039 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -32.757 57.446 -27.855 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -33.363 58.107 -28.204 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -33.212 57.094 -27.062 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -31.339 53.672 -29.349 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -32.130 54.016 -29.816 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -30.928 54.475 -28.957 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -37.342 54.042 -23.765 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -36.683 53.416 -23.414 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -36.844 54.873 -23.864 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -34.985 54.698 -27.840 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -34.526 54.971 -28.666 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -34.706 55.360 -27.179 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -31.872 53.529 -19.108 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -31.322 53.763 -19.895 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -31.432 53.972 -18.373 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -39.652 55.492 -24.553 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -39.405 56.441 -24.520 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -38.877 55.031 -24.187 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -33.602 50.704 -22.031 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -32.785 51.061 -22.443 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -33.398 50.691 -21.070 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -34.971 53.084 -22.468 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -34.914 53.284 -21.500 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -34.675 52.151 -22.530 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -35.229 55.768 -23.275 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -35.353 56.264 -22.457 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -34.951 54.876 -22.977 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -34.603 53.480 -19.831 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -35.161 53.632 -19.038 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -33.686 53.551 -19.497 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -40.645 54.553 -17.592 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -40.923 54.489 -18.511 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -41.451 54.309 -17.081 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -27.881 55.069 -28.604 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -28.129 54.478 -27.859 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -28.679 55.608 -28.753 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -30.182 49.680 -21.103 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -29.432 49.552 -21.736 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -30.967 49.644 -21.663 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -32.900 53.048 -27.114 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -33.745 53.398 -27.465 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -32.281 53.115 -27.869 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -28.927 51.495 -24.619 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -29.721 51.200 -24.147 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -28.450 50.664 -24.833 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -39.375 53.403 -28.603 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -39.766 53.545 -27.715 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -39.964 52.770 -29.020 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -31.781 50.523 -30.954 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -30.914 50.905 -30.706 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -32.370 50.787 -30.240 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -43.022 53.871 -16.441 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -43.319 52.966 -16.297 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -43.698 54.413 -16.021 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -38.245 55.124 -16.438 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -38.374 56.074 -16.343 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -39.103 54.802 -16.811 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -36.395 53.814 -14.733 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -37.161 54.243 -15.164 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -36.279 54.303 -13.911 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -36.242 53.678 -17.623 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -35.800 53.388 -16.805 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -36.961 54.270 -17.306 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -11.823 -28.050 11.729 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -12.757 -28.271 11.661 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -11.366 -28.881 11.551 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -5.309 -23.708 14.430 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -4.865 -23.681 15.306 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -5.188 -24.632 14.137 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -4.128 -24.532 16.752 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -3.642 -24.434 17.595 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -4.611 -25.372 16.852 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -8.567 -20.686 13.311 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -9.094 -21.142 12.651 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -7.655 -21.029 13.169 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -7.507 -24.720 15.893 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -6.892 -24.174 15.370 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -8.024 -25.206 15.222 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -9.842 -26.207 11.516 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -9.192 -26.879 11.194 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -10.689 -26.704 11.570 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -7.809 -21.918 23.350 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -8.525 -22.016 22.710 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -8.216 -22.162 24.209 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -13.452 -7.258 13.293 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -13.648 -6.910 12.397 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -13.800 -8.158 13.278 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -15.456 -4.440 7.954 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -14.771 -4.282 8.635 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -14.962 -4.744 7.188 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -5.995 -18.659 12.596 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -6.040 -19.638 12.604 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -6.549 -18.392 13.358 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -6.816 -14.083 16.302 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -6.138 -14.510 16.864 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -7.663 -14.454 16.619 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -10.784 -7.474 14.236 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -11.682 -7.259 13.909 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -10.914 -7.657 15.191 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -11.327 -3.497 7.442 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -11.232 -3.533 8.410 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -11.902 -2.722 7.291 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -11.256 -10.243 13.649 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -11.121 -10.161 12.682 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -11.074 -9.352 13.989 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -11.617 -13.556 16.109 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -11.553 -12.802 16.741 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -12.508 -13.897 16.243 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -14.242 -6.421 10.776 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -13.938 -5.503 10.576 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -15.175 -6.418 10.526 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -8.797 -12.869 19.696 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -9.265 -13.691 19.428 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -9.515 -12.265 19.980 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -9.022 -14.819 12.881 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -8.704 -14.874 11.947 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -9.864 -14.320 12.820 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -15.368 -5.292 18.190 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -14.487 -4.862 18.170 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -15.820 -4.935 17.404 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -10.817 -10.021 10.974 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -11.479 -9.437 10.528 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -10.864 -10.850 10.482 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -11.063 -5.311 16.697 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -10.329 -5.066 16.096 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -11.863 -5.295 16.116 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -12.619 -8.417 9.749 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -12.675 -8.227 8.808 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -13.174 -7.726 10.166 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -14.982 -0.758 16.212 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -14.740 0.119 15.842 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -15.776 -1.018 15.700 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -13.330 -5.360 15.283 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -13.497 -5.989 14.549 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -14.165 -4.864 15.367 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -11.637 -11.600 18.056 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -11.779 -12.241 18.792 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -12.049 -10.771 18.381 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -9.509 -10.124 17.184 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -10.196 -10.768 17.466 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -10.012 -9.296 17.025 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -8.464 -8.991 12.006 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -8.712 -8.137 12.380 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -9.297 -9.334 11.617 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -9.156 -4.995 14.639 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -9.601 -5.727 14.171 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -9.031 -4.311 13.953 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -10.088 -10.697 20.969 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -10.934 -10.309 21.226 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -9.711 -11.034 21.815 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -7.314 -10.856 18.619 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -8.052 -10.537 18.053 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -7.679 -11.656 19.057 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -5.506 -16.606 10.748 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -4.745 -17.048 10.353 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -5.843 -17.254 11.405 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -11.057 -13.042 13.453 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -11.283 -13.337 14.356 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -11.234 -12.079 13.467 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -7.604 -18.664 14.872 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -8.138 -18.539 15.664 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -8.078 -19.369 14.370 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -11.229 -20.092 18.246 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -12.168 -19.811 18.344 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -11.284 -20.970 17.863 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -8.659 -4.337 11.267 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -8.556 -3.865 10.418 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -7.866 -4.907 11.316 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -18.417 -2.891 23.393 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -19.242 -3.114 23.834 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -18.102 -2.091 23.859 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -12.616 -1.102 17.519 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -13.460 -1.059 17.024 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -12.583 -2.013 17.852 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -8.975 -26.268 14.101 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -9.840 -26.398 14.509 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -9.180 -26.127 13.148 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -16.942 -1.323 14.352 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -16.856 -0.381 14.089 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -17.514 -1.704 13.675 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -15.564 -3.613 15.872 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -16.239 -3.178 15.327 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -15.042 -2.877 16.234 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -12.886 -1.194 7.820 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -13.560 -1.266 8.531 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -13.264 -0.557 7.201 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -9.450 -3.504 18.369 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -10.045 -3.203 19.088 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -9.438 -2.756 17.741 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -8.620 -22.572 25.905 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -8.219 -23.375 26.262 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -9.478 -22.518 26.347 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -12.631 -5.649 20.340 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -13.560 -5.656 20.647 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -12.246 -6.450 20.739 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -14.351 -7.415 22.876 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -15.079 -7.707 23.432 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -14.774 -6.829 22.212 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -7.851 -13.798 22.081 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -8.118 -13.510 21.183 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -8.275 -13.145 22.672 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -11.187 -8.001 16.940 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -11.250 -7.024 17.032 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -11.823 -8.347 17.604 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -12.558 -9.101 19.079 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -12.391 -8.808 19.996 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -13.489 -8.816 18.902 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -9.548 -10.167 25.605 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -10.268 -9.923 26.197 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -8.924 -10.668 26.181 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -14.993 -8.024 18.729 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -15.111 -7.104 18.419 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -15.838 -8.250 19.128 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -11.881 -13.505 19.980 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -12.175 -13.826 20.837 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -11.319 -14.234 19.631 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -8.047 -11.785 27.228 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -7.549 -11.696 28.049 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -8.510 -12.650 27.322 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -5.292 -11.923 26.345 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -6.215 -11.617 26.312 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -4.955 -11.775 25.435 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -8.891 -11.502 23.298 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -7.959 -11.194 23.179 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -9.158 -11.125 24.162 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -9.384 -15.162 16.304 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -9.335 -15.607 15.447 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -10.163 -14.569 16.221 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -13.832 -19.336 18.521 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -14.273 -19.259 19.373 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -14.464 -18.972 17.892 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -10.206 -17.907 19.524 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -10.558 -18.672 19.020 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -9.449 -18.276 20.018 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -15.339 -5.712 20.947 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -15.553 -5.615 19.996 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -15.692 -4.891 21.357 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -10.464 -4.295 22.575 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -10.348 -5.085 23.116 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -11.262 -3.856 22.958 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -11.808 15.229 -5.816 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -11.275 15.885 -6.310 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -12.690 15.273 -6.235 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -16.642 14.607 -5.555 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -17.207 14.402 -6.310 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -15.814 14.952 -5.963 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -8.578 13.663 3.195 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -9.473 13.730 2.788 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -8.622 12.863 3.733 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -14.619 11.387 0.323 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -14.821 10.469 0.580 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -13.963 11.678 0.991 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -13.507 12.662 -1.884 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -13.857 12.117 -1.147 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -14.232 12.667 -2.539 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -10.228 19.169 -17.209 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -10.609 20.057 -17.017 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -9.934 19.231 -18.121 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -12.841 15.123 -3.177 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -12.441 15.019 -4.065 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -12.861 14.217 -2.817 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -12.880 11.861 2.454 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -13.193 12.349 3.240 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -12.063 12.331 2.196 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -9.182 16.744 -10.676 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -8.541 16.035 -10.888 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -8.708 17.297 -10.002 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -11.141 13.626 -0.764 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -12.009 13.299 -1.076 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -10.546 13.478 -1.529 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -15.666 17.870 -10.025 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -15.803 17.392 -10.847 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -14.928 17.396 -9.595 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -18.889 15.055 0.149 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -18.289 14.336 0.419 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -18.284 15.766 -0.157 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -15.202 15.184 -1.517 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -15.484 14.501 -2.162 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -14.305 15.427 -1.811 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -26.652 17.152 -5.975 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -26.595 16.894 -6.901 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -27.620 17.124 -5.776 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -18.568 15.565 -3.717 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -17.914 15.253 -4.369 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -18.320 16.495 -3.559 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -15.867 13.216 -3.315 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -16.033 13.716 -4.147 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -16.692 12.741 -3.158 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -13.362 16.346 -9.380 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -12.819 15.667 -9.838 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -12.750 17.107 -9.280 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -11.023 13.919 1.963 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -10.963 13.827 0.982 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -11.665 14.656 2.095 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -14.729 14.433 8.775 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -13.835 14.070 8.582 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -14.596 14.984 9.582 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -17.799 7.195 9.088 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -17.734 6.255 9.304 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -18.418 7.549 9.759 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -17.267 11.757 12.858 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -17.768 12.368 12.281 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -16.416 12.219 13.005 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -17.117 -2.500 8.863 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -16.739 -3.307 8.447 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -17.459 -1.978 8.110 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -13.979 6.594 6.772 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -13.776 6.517 5.833 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -14.830 7.096 6.795 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -10.680 9.027 8.729 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -9.789 9.306 9.008 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -10.619 8.970 7.754 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -19.493 7.971 11.175 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -18.725 8.434 11.591 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -19.795 7.350 11.872 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -22.240 10.052 12.931 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -22.149 9.764 11.997 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -22.267 9.217 13.437 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -17.725 3.209 10.221 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -18.578 2.738 10.355 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -17.763 3.956 10.860 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -19.237 8.276 17.225 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -18.831 8.885 17.878 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -20.018 8.767 16.903 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -14.349 9.488 2.449 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -13.672 10.190 2.491 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -14.757 9.501 3.317 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -13.627 10.900 7.602 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -14.573 11.100 7.449 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -13.201 11.781 7.654 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -21.327 9.929 16.370 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -20.858 10.534 15.756 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -21.796 10.532 16.987 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -18.595 6.092 15.778 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -18.941 5.424 16.378 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -18.729 6.944 16.264 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -14.413 15.634 6.310 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -14.587 15.300 7.217 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -14.098 16.546 6.448 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -22.518 13.868 10.887 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -22.949 13.635 11.731 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -21.883 13.128 10.733 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -11.265 11.779 5.312 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -11.447 10.864 5.594 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -12.151 12.160 5.150 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -10.923 14.572 5.554 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -11.418 14.842 4.767 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -10.811 13.606 5.445 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -14.568 1.745 15.129 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -14.579 2.705 15.341 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -15.273 1.642 14.454 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -12.043 1.456 16.320 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -12.115 0.581 16.752 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -12.928 1.604 15.934 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -10.745 8.846 5.924 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -9.934 9.372 5.744 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -10.568 7.993 5.511 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -15.007 2.711 7.084 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -15.443 3.461 6.669 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -14.103 3.045 7.292 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -14.034 4.429 18.613 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -13.107 4.369 18.871 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -14.364 3.500 18.696 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -19.934 1.660 10.549 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -20.888 1.769 10.584 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -19.809 0.747 10.206 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -17.985 5.162 12.065 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -17.330 5.238 12.794 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -18.773 5.620 12.406 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -20.006 6.575 13.453 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -19.447 6.383 14.235 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -20.800 7.011 13.831 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -16.118 8.234 7.081 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -16.800 7.873 7.691 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -16.280 9.200 7.087 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -22.080 7.879 14.737 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -21.828 8.576 15.389 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -22.822 7.424 15.153 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -12.776 4.145 7.489 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -13.125 5.054 7.411 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -11.859 4.264 7.754 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -13.608 13.381 4.716 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -14.239 13.662 4.014 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -13.734 14.048 5.421 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -7.388 3.598 4.529 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -7.526 4.513 4.867 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -7.244 3.716 3.587 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -10.035 13.971 9.017 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -9.417 13.277 8.684 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -9.450 14.704 9.264 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -21.714 9.218 10.335 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -20.889 8.726 10.568 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -22.114 8.688 9.636 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -16.418 10.994 7.242 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -16.723 11.602 7.957 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -16.715 11.421 6.429 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -20.324 11.579 14.348 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -19.433 11.549 13.961 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -20.888 11.121 13.687 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -20.784 11.817 10.623 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -21.076 10.901 10.442 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -19.867 11.837 10.329 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -7.834 8.366 7.148 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -7.727 8.718 8.053 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -7.978 9.161 6.598 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -6.681 12.314 5.650 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -6.287 12.099 4.771 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -6.544 13.280 5.743 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -12.062 6.129 9.794 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -11.103 6.251 9.991 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -12.247 5.222 10.074 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -22.417 12.172 17.729 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -23.234 12.597 18.081 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -22.128 12.776 17.011 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -14.289 4.403 15.820 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -14.245 4.482 16.796 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -13.414 4.730 15.515 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -18.051 -0.539 7.170 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -17.515 0.145 7.641 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -18.174 -0.175 6.287 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -16.744 14.817 5.047 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -15.975 15.174 5.536 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -17.463 14.792 5.716 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -16.708 1.317 8.635 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -17.078 2.087 9.136 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -16.013 1.720 8.062 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -16.403 5.341 14.262 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -17.097 5.637 14.884 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -15.671 5.045 14.841 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -17.036 -0.036 11.013 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -17.750 -0.636 10.740 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -16.888 0.529 10.224 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -20.854 14.967 18.224 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -20.460 14.165 18.619 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -21.055 14.709 17.307 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -20.077 12.459 19.241 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -19.544 11.650 19.086 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -20.954 12.241 18.866 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -16.347 13.600 0.457 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -15.873 12.746 0.368 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -15.891 14.194 -0.177 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -8.676 10.544 5.654 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -7.844 11.069 5.600 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -9.383 11.214 5.612 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -15.232 9.310 20.854 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.495 9.410 21.501 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -15.072 8.433 20.441 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -16.744 1.311 13.400 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -17.275 2.118 13.336 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -16.811 0.909 12.502 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -17.448 9.042 12.553 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -16.986 8.674 13.314 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -17.325 10.015 12.642 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -17.177 -0.664 24.471 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -16.991 -0.091 23.715 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -17.703 -0.093 25.081 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -14.412 1.722 18.721 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -14.694 1.027 18.115 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -14.026 1.232 19.484 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -13.930 -2.482 20.631 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -13.974 -2.796 19.708 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -14.811 -2.715 21.006 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -17.772 18.222 1.552 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -17.061 17.907 2.119 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -17.558 17.846 0.671 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -24.585 15.872 6.270 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -23.824 15.699 6.849 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -25.283 15.280 6.616 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -26.538 14.456 7.711 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -25.733 14.535 8.277 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -26.797 13.531 7.798 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -9.422 6.283 10.377 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -9.044 7.050 10.864 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -8.795 5.549 10.568 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -8.497 4.725 8.157 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -8.994 5.503 8.463 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -7.964 4.466 8.939 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -7.797 5.977 5.795 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -7.671 6.888 6.141 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -8.085 5.467 6.577 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -7.600 1.760 9.715 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -8.529 1.573 9.967 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -7.614 1.762 8.740 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -10.237 -0.973 8.712 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -10.173 -0.100 9.151 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -11.131 -0.976 8.317 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -12.383 13.471 7.757 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -12.049 13.925 6.961 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -11.618 13.495 8.380 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -21.526 13.727 15.673 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -21.837 14.335 14.982 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -21.004 13.052 15.184 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -22.556 16.083 13.834 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -22.330 16.564 14.672 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -21.752 16.166 13.286 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -20.102 16.800 12.393 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -19.536 16.611 13.164 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -20.027 17.780 12.280 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -15.193 13.629 12.747 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -15.858 14.342 12.847 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -14.417 14.081 12.389 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -24.160 14.884 8.953 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -24.416 15.745 9.358 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -23.543 14.488 9.607 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -23.438 12.528 13.330 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -23.074 11.671 13.024 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.479 12.437 14.287 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -18.237 13.812 11.279 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -17.796 14.525 11.792 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -18.981 14.271 10.824 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -19.608 -0.802 9.441 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -19.862 -1.732 9.450 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -19.183 -0.680 8.566 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -11.046 -3.300 10.453 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -10.769 -2.379 10.593 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -10.367 -3.828 10.925 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -10.233 1.215 10.329 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -11.020 1.737 10.579 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -10.087 0.617 11.093 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -13.652 -3.880 10.021 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -12.692 -3.734 10.203 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -14.045 -2.981 10.091 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -14.806 -1.417 9.832 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -15.134 -0.763 10.471 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -15.627 -1.821 9.467 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -15.254 14.407 2.827 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -15.952 14.586 3.504 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -15.758 14.119 2.034 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -7.768 15.868 9.041 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -6.865 15.524 8.873 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -8.154 15.974 8.144 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -12.950 -3.893 18.284 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -12.711 -4.445 19.065 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -12.322 -4.183 17.593 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -15.499 13.850 27.732 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -14.614 13.791 28.150 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -15.756 14.788 27.850 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -15.151 -2.590 24.612 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -15.796 -1.849 24.635 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -15.248 -3.013 25.474 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -18.165 14.241 26.863 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -17.284 13.841 26.994 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -18.429 14.527 27.758 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -7.996 17.481 18.673 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -8.051 18.434 18.878 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -8.552 17.063 19.341 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -23.746 13.914 23.282 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -24.393 14.169 22.591 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -23.051 13.462 22.795 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -15.825 16.667 22.199 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -15.787 15.704 22.190 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -14.997 16.945 21.753 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -15.040 6.992 19.252 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -15.845 6.987 18.725 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -14.665 6.096 19.124 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -18.696 1.034 26.002 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -18.401 1.459 26.815 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -19.613 1.317 25.905 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -16.056 -3.365 22.121 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -17.019 -3.254 22.293 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -15.644 -3.235 23.000 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -11.356 0.344 22.707 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -11.580 -0.072 23.548 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -10.706 1.021 22.941 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -12.667 12.275 23.661 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -11.954 12.652 24.192 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -13.481 12.681 24.038 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -4.620 -0.002 23.058 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -4.280 0.355 22.210 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -5.012 0.760 23.494 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -8.564 10.803 19.714 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -8.524 10.422 20.617 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -9.029 11.656 19.835 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -18.527 12.843 21.876 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -18.252 11.909 21.784 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -19.110 12.995 21.115 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -13.319 9.678 22.796 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -13.058 10.615 22.922 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -13.273 9.301 23.678 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -10.305 16.082 20.331 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -10.311 16.045 21.300 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -10.427 17.046 20.128 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -13.771 9.281 16.358 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -14.314 8.741 16.942 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -13.665 10.122 16.841 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -18.458 10.253 18.980 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -17.558 10.515 18.672 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -18.351 10.127 19.945 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -17.725 10.173 21.659 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -16.794 9.954 21.423 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -17.939 9.557 22.368 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -12.806 -3.039 23.185 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -13.534 -2.898 23.823 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -13.208 -2.839 22.321 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -14.555 13.601 25.136 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -15.413 13.538 24.653 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -14.805 13.476 26.075 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -17.071 13.455 24.136 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -17.733 13.616 24.824 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -17.602 13.277 23.327 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -15.806 10.682 18.516 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -15.021 11.172 18.201 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -15.520 10.288 19.364 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -8.243 7.997 19.683 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -8.118 8.250 20.622 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -8.434 8.844 19.239 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -9.745 5.701 19.882 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -9.238 6.530 19.745 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -10.657 5.993 19.967 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -13.262 0.253 20.721 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -13.513 -0.688 20.739 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -12.644 0.352 21.473 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -6.841 -4.231 23.548 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -7.069 -4.256 24.502 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -6.017 -3.694 23.512 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -11.189 -2.825 20.411 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -12.164 -2.780 20.454 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -10.949 -3.475 21.106 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -13.453 17.379 20.942 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -12.933 17.003 20.219 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -13.346 18.355 20.831 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -12.891 14.450 28.362 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -11.995 14.572 28.690 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -12.999 15.146 27.690 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -20.349 14.362 30.955 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -20.149 13.986 31.820 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -21.267 14.119 30.796 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -12.021 -8.057 21.642 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -11.299 -8.214 22.295 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -12.821 -7.908 22.201 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -8.114 11.480 23.759 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -7.732 12.068 24.416 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -8.822 12.018 23.334 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -22.127 16.722 19.865 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -21.703 16.054 19.272 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -23.077 16.680 19.633 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -21.654 35.329 -42.658 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -22.587 35.297 -42.966 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -21.702 35.811 -41.810 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -24.072 37.534 -40.111 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -24.295 38.325 -40.649 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -23.156 37.312 -40.384 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -25.285 33.583 -18.022 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -25.320 32.609 -17.914 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -25.567 33.735 -18.936 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -17.526 33.359 -15.920 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -17.751 33.152 -16.830 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -16.548 33.462 -15.931 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -26.070 25.806 -14.721 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -25.373 26.366 -15.118 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -25.587 25.030 -14.376 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -11.228 29.060 -12.751 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -12.195 29.260 -12.778 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -10.802 29.924 -12.930 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -25.262 37.617 -20.765 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -26.064 38.100 -21.062 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -25.573 36.693 -20.642 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -24.300 18.843 -11.595 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -23.702 18.727 -12.343 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -24.728 17.987 -11.496 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -28.164 27.693 -8.089 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -27.945 26.831 -7.702 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -29.048 27.569 -8.461 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -19.924 21.767 -11.560 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -19.046 22.166 -11.707 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -19.726 20.906 -11.176 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -13.347 19.681 -8.093 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -12.579 19.271 -8.549 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -13.720 20.278 -8.750 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -24.955 24.023 -7.838 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -24.214 23.956 -8.446 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -24.551 24.333 -6.997 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -24.945 20.721 -2.500 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -24.078 20.262 -2.548 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -25.552 20.139 -3.005 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -22.527 19.370 -2.525 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -21.775 19.405 -1.899 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -22.866 18.449 -2.432 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -24.149 21.317 -10.371 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -24.251 20.423 -10.767 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -24.746 21.312 -9.616 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -15.558 26.996 -10.293 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -14.774 26.667 -9.791 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -16.255 26.366 -10.082 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -11.776 26.458 -13.678 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -11.586 27.396 -13.477 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -12.618 26.282 -13.229 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -13.282 23.177 -11.049 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -13.106 23.152 -10.089 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -12.722 22.460 -11.414 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -15.108 31.948 -9.607 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -15.528 31.233 -10.135 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -14.692 32.536 -10.285 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -10.739 17.857 -14.879 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -10.467 18.378 -15.671 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -11.032 17.018 -15.241 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -22.628 25.330 -13.158 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -22.206 24.656 -12.590 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -23.447 24.890 -13.470 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -10.181 31.663 -12.712 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -10.816 31.968 -12.042 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -9.307 31.924 -12.347 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -18.395 34.913 -13.756 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -18.128 35.833 -13.917 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -18.107 34.432 -14.561 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -14.908 33.895 -15.675 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -13.951 33.953 -15.485 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.196 34.838 -15.731 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -13.969 33.452 -11.559 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -13.924 34.399 -11.796 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -14.313 33.019 -12.366 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -17.878 18.201 -3.137 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -17.585 18.299 -4.077 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -18.168 19.087 -2.888 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -10.723 26.797 -8.962 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -10.401 25.870 -8.911 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -10.299 27.150 -9.775 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -22.514 22.762 -12.034 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -23.055 22.282 -11.366 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -21.607 22.400 -11.912 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -13.374 25.881 -9.106 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -13.251 24.954 -8.816 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -12.465 26.238 -9.151 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -18.909 19.894 -7.589 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -19.732 19.447 -7.354 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -18.931 20.714 -7.077 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -22.968 23.004 -3.348 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -22.370 23.778 -3.469 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -22.542 22.292 -3.865 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -24.054 24.805 -5.336 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -24.214 24.078 -4.708 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -23.134 25.110 -5.113 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -14.179 25.424 -12.434 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -14.483 26.005 -11.712 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -13.767 24.655 -11.968 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -15.161 23.135 -13.868 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -16.007 22.927 -13.443 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -14.887 23.974 -13.458 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -16.272 29.768 -10.885 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -16.490 29.640 -11.832 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -15.989 28.881 -10.587 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -10.158 24.099 -9.465 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -9.837 23.175 -9.602 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -10.100 24.502 -10.366 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -24.664 23.598 -13.663 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -24.002 23.198 -13.054 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -25.242 22.864 -13.899 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -13.847 29.645 -13.026 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -14.623 29.115 -13.259 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -14.134 30.568 -13.181 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -8.489 35.688 -13.013 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -7.586 35.324 -12.985 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -9.022 34.977 -13.424 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -22.765 19.482 2.326 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -23.089 18.786 1.723 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -21.804 19.532 2.140 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -15.050 27.161 -14.454 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -14.817 26.430 -13.846 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -14.368 27.126 -15.137 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -18.641 31.803 -10.014 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -18.998 32.391 -10.723 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -18.069 31.180 -10.487 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -26.890 28.964 -15.618 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -26.081 28.451 -15.458 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -27.598 28.422 -15.216 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -16.772 29.038 -13.507 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -16.261 28.304 -13.924 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -17.639 28.987 -13.922 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -17.073 22.182 -11.605 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -17.253 21.354 -11.101 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -16.189 22.439 -11.322 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -25.586 31.066 -16.886 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -25.874 31.626 -16.145 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -26.057 30.226 -16.742 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -23.955 27.709 -12.857 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -23.403 26.900 -12.879 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -24.195 27.857 -13.788 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -10.037 33.888 -14.404 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -10.997 34.108 -14.472 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -10.028 32.995 -14.004 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -24.259 27.639 -15.684 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -24.223 28.244 -16.438 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -23.375 27.194 -15.692 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -21.847 26.434 -15.521 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -21.943 26.071 -14.613 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -21.247 25.821 -15.958 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -9.368 27.840 -11.134 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -8.860 28.576 -10.725 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -10.022 28.294 -11.716 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -22.095 20.786 -4.806 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -22.917 20.564 -5.252 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -22.098 20.220 -4.003 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -20.450 18.500 -0.947 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -20.087 17.914 -1.628 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -20.774 17.885 -0.254 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -20.702 15.486 -2.011 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -20.041 15.394 -2.731 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -20.236 15.160 -1.220 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -17.146 16.944 -0.807 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -17.368 17.387 -1.655 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -16.375 16.373 -1.030 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -19.648 33.664 -11.721 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -19.155 34.136 -12.435 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -20.266 34.338 -11.367 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -27.480 31.686 -14.841 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -27.492 30.736 -15.052 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -28.200 32.065 -15.389 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -11.358 21.582 -16.615 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -11.411 22.507 -16.866 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -11.856 21.533 -15.774 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -13.099 21.439 -14.420 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -13.777 22.138 -14.253 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -13.614 20.679 -14.713 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -25.737 26.803 -4.482 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -26.503 26.216 -4.295 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -25.111 26.224 -4.974 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -12.484 23.308 -8.362 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -12.299 22.787 -7.557 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -11.591 23.552 -8.700 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -6.829 15.742 3.074 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -7.539 15.058 3.121 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -7.314 16.592 3.046 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -14.461 18.184 -6.129 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -14.065 18.783 -6.807 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -13.759 18.106 -5.439 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -27.416 24.073 -6.541 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -26.615 24.041 -7.108 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -27.511 23.156 -6.209 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -11.815 20.950 -11.970 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -12.182 21.144 -12.858 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -11.352 20.090 -12.085 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -29.265 17.253 -5.324 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -30.151 16.904 -5.464 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -29.362 17.855 -4.554 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -17.159 18.532 -5.722 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -16.202 18.385 -5.894 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -17.504 18.865 -6.566 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -14.418 15.598 -6.945 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -14.526 16.530 -6.650 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -14.128 15.679 -7.880 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -17.470 20.004 -10.005 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -16.807 19.279 -9.962 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -17.966 19.925 -9.166 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -10.302 18.668 -12.331 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -9.865 17.912 -11.887 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -10.487 18.338 -13.244 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -27.118 31.576 -9.005 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -27.020 31.515 -9.977 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -27.151 32.531 -8.830 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -15.129 32.045 -13.648 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -15.042 32.680 -14.391 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -16.030 31.707 -13.732 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -24.863 16.232 -4.102 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -25.439 15.534 -3.780 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -25.354 16.620 -4.853 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -23.130 16.778 -2.061 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -23.677 16.493 -2.828 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -22.329 16.204 -2.109 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -23.889 31.592 -11.034 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -23.551 31.701 -11.923 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -24.854 31.536 -11.151 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -12.955 15.843 2.420 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -13.304 16.744 2.300 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -13.757 15.298 2.575 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -10.845 20.457 16.288 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -11.001 20.841 15.399 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -9.879 20.544 16.416 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -13.535 32.061 10.977 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -13.936 31.175 10.824 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -14.246 32.692 10.735 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -16.951 15.749 12.729 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -17.460 16.208 13.438 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -16.558 16.469 12.214 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -11.858 26.691 14.964 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -11.854 25.801 14.559 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -11.521 27.279 14.256 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -12.356 24.826 11.528 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -12.020 24.762 10.630 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -12.791 25.706 11.560 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -12.326 24.034 14.095 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -12.118 24.249 13.153 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -13.293 23.841 14.080 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -14.776 29.608 11.053 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -15.476 29.386 10.398 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -15.268 29.779 11.876 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -9.220 18.605 5.212 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -8.725 18.514 4.371 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -9.782 19.390 5.074 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -17.309 28.181 12.121 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -18.124 28.688 12.249 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -17.158 28.218 11.157 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -13.108 20.967 17.900 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -13.054 21.912 17.648 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -12.362 20.553 17.416 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -23.547 17.428 0.590 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -22.730 16.971 0.877 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -23.599 17.235 -0.372 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -15.001 23.765 13.869 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -15.356 23.764 14.781 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -15.308 24.617 13.496 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -13.305 27.376 11.810 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -12.467 27.760 12.152 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -13.764 28.140 11.398 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -15.652 28.035 17.897 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -15.166 27.589 17.163 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -15.561 28.972 17.703 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -18.215 32.316 9.415 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -18.737 31.491 9.547 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -18.135 32.390 8.441 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -15.480 26.444 13.221 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -16.234 26.995 12.905 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -14.724 26.736 12.666 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -18.441 14.630 7.251 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -17.939 14.032 7.838 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -19.149 14.974 7.815 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -9.099 33.656 10.448 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -8.607 32.858 10.142 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -8.573 33.986 11.207 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -26.286 17.181 12.532 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -27.261 17.078 12.620 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -25.922 16.603 13.238 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -24.777 30.901 14.464 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -25.252 30.057 14.464 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -24.656 31.101 15.408 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -21.378 28.808 17.861 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -22.343 28.866 17.904 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -21.151 29.248 17.015 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -16.510 27.445 20.591 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -16.167 27.837 19.766 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -16.250 26.496 20.530 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -25.396 25.181 20.387 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -25.669 25.020 19.462 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -26.240 25.317 20.864 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -14.535 26.686 15.793 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -14.941 26.669 14.895 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -13.570 26.714 15.617 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -12.880 23.512 16.856 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -13.822 23.774 16.777 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -12.513 23.677 15.968 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -18.332 17.073 14.635 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -18.949 17.847 14.722 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -18.100 16.847 15.557 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -7.609 31.588 9.475 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -7.502 31.085 8.637 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -6.694 31.695 9.809 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -11.659 33.945 14.174 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -11.698 34.046 13.196 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -12.458 33.449 14.393 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -9.006 30.067 11.444 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -8.970 30.746 12.134 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -8.575 30.486 10.674 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -12.519 30.897 13.311 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -13.410 30.737 13.689 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -12.704 31.327 12.451 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -10.808 26.644 17.510 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -11.201 26.631 16.611 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -10.517 27.551 17.628 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -11.282 24.368 18.951 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -11.834 23.926 18.271 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -11.083 25.248 18.558 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -13.041 21.091 12.050 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -13.793 21.618 12.349 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -13.270 20.842 11.136 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -20.740 19.805 17.203 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -20.249 19.589 16.379 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -21.306 20.558 16.952 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -11.492 15.433 17.873 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -11.086 15.524 18.755 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -11.201 16.236 17.394 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -11.015 17.723 16.425 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -10.756 18.669 16.428 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -11.996 17.752 16.402 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -7.832 18.327 2.775 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -8.167 18.656 1.932 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -6.883 18.604 2.782 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -25.323 17.155 9.849 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -25.832 17.182 10.679 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -25.887 17.610 9.205 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -21.871 17.469 16.020 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -21.293 18.053 15.471 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -21.847 17.875 16.897 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -18.205 31.674 13.933 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -19.010 31.301 13.515 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -18.555 32.259 14.637 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -23.020 32.034 12.622 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -23.166 32.985 12.812 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -23.583 31.572 13.277 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -20.532 30.766 12.795 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -21.325 31.296 12.566 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -20.191 30.450 11.922 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -16.927 28.985 9.481 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -17.030 28.744 8.553 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -17.780 29.426 9.707 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -15.298 30.956 13.671 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -15.567 31.524 12.918 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -16.115 30.851 14.184 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -11.631 33.988 11.439 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -10.764 33.744 11.042 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -12.242 33.277 11.143 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -14.165 16.023 10.915 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -13.670 16.043 11.760 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -13.589 16.515 10.288 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -20.183 15.288 10.040 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -20.140 15.975 10.737 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -21.084 14.926 10.121 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -20.930 16.660 1.136 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -20.282 15.981 0.844 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -20.606 16.938 2.002 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -17.025 13.001 8.975 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.185 13.518 8.931 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -17.397 13.224 9.857 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -12.547 17.004 8.916 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -12.893 17.589 8.217 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -11.721 16.664 8.553 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -20.100 19.689 1.534 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -20.225 19.561 0.576 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -19.244 19.245 1.722 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -20.313 18.771 19.674 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -20.440 19.112 18.761 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -20.962 18.036 19.745 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.986 25.131 23.187 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -14.529 24.450 23.642 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -14.487 25.964 23.328 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -18.924 19.007 27.009 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -17.989 19.159 27.272 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -18.891 18.166 26.496 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -21.684 18.620 27.290 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -20.712 18.754 27.304 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -21.825 17.973 26.562 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -16.274 19.230 27.830 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -16.191 19.990 28.424 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -15.512 19.320 27.215 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -20.296 26.382 25.928 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -21.112 26.016 25.542 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -19.830 25.601 26.285 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -14.127 19.113 25.986 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -13.395 19.439 25.414 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -14.054 18.145 25.933 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -22.956 19.503 29.602 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -22.883 18.920 30.365 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -22.436 19.054 28.901 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -18.424 15.511 29.397 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -19.172 15.063 29.855 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -17.930 15.928 30.111 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -18.365 22.990 23.785 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -18.666 23.788 23.306 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -19.167 22.676 24.234 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.591 23.339 24.307 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -16.507 23.303 23.968 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -15.700 23.300 25.277 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -22.213 24.305 21.107 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -22.694 24.998 21.617 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -22.710 24.235 20.282 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -13.427 21.922 22.463 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -14.015 22.248 23.166 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -13.344 22.686 21.851 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -10.192 12.675 22.455 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -10.088 12.951 21.519 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -11.139 12.467 22.537 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -23.598 26.343 22.260 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -23.419 27.286 22.042 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -24.333 26.095 21.664 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -19.118 16.574 25.720 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -18.840 15.685 26.035 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -20.004 16.429 25.344 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -13.377 24.089 20.784 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -12.553 24.324 20.309 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -13.344 24.629 21.612 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -22.349 22.081 28.804 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -22.851 22.100 27.980 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -22.629 21.246 29.236 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -18.337 21.420 28.587 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -18.912 20.678 28.349 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -18.940 22.067 29.013 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -16.825 22.510 26.611 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -17.247 22.114 27.401 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -16.778 21.769 25.968 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -24.814 19.137 24.367 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -24.621 19.560 25.232 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -25.394 18.404 24.589 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -22.274 21.822 22.439 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -22.256 22.680 21.971 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -21.795 21.992 23.268 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -16.276 16.495 27.802 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -16.295 17.478 27.792 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -17.155 16.245 28.144 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -19.241 23.921 26.735 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -18.304 23.655 26.612 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -19.407 23.782 27.691 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -21.914 17.136 25.000 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -22.296 17.205 24.093 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -22.286 16.289 25.348 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -20.059 23.433 29.347 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -20.237 24.101 30.019 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -20.937 23.008 29.190 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -20.957 22.758 24.942 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -21.615 23.463 24.766 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -20.404 23.128 25.666 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -16.484 20.289 25.036 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -16.730 19.354 24.834 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -15.528 20.241 25.224 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -15.898 24.890 20.053 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -14.993 24.624 20.328 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -16.296 24.064 19.710 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -27.126 21.999 20.234 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -26.257 22.418 20.298 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -27.603 22.312 21.042 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -19.399 28.507 24.421 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -19.252 28.015 23.590 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -19.713 27.822 25.053 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -17.530 26.009 18.004 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -17.183 25.523 18.775 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -16.960 26.804 17.951 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -15.677 27.293 23.277 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -16.386 27.687 23.796 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -15.923 27.483 22.352 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -20.260 26.251 17.418 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -19.312 26.218 17.661 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -20.541 27.152 17.665 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -20.352 30.983 23.736 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -20.051 30.070 23.949 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -20.016 31.514 24.462 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -22.168 25.161 24.297 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -21.348 25.178 23.759 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -22.817 25.666 23.760 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -20.403 29.210 20.384 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -20.655 29.006 19.458 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -20.471 30.186 20.437 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -24.050 19.806 21.845 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -24.371 19.693 22.771 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -23.370 20.516 21.914 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -24.177 19.821 26.978 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -24.450 19.852 27.906 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -23.271 19.454 27.009 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -22.567 31.393 22.213 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -22.134 31.712 21.402 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -21.832 31.313 22.861 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -18.961 27.386 21.888 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -19.487 28.047 21.384 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -18.083 27.397 21.450 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -15.531 24.196 16.531 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -15.349 25.160 16.485 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -16.248 24.119 17.186 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -19.965 24.952 22.646 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -19.587 25.819 22.372 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -20.564 24.707 21.914 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -24.942 28.832 19.558 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -24.159 28.803 20.149 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -25.677 28.542 20.130 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -12.920 20.005 20.479 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -13.040 20.440 19.604 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -13.077 20.723 21.129 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -12.275 19.926 24.101 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -11.307 20.079 24.223 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -12.564 20.670 23.535 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -11.231 16.486 25.735 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -12.165 16.425 26.010 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -11.281 16.686 24.773 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -10.615 18.682 19.870 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -9.952 19.308 19.500 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -11.340 19.260 20.187 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -16.887 17.706 24.490 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -16.560 17.294 23.658 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -17.623 17.130 24.771 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -22.968 14.763 25.750 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -23.301 14.473 24.866 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -23.152 14.016 26.327 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -22.728 17.412 22.431 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -22.530 16.972 21.573 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -23.351 18.128 22.192 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -13.927 16.145 26.287 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -14.115 15.400 25.678 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -14.782 16.300 26.745 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -11.771 17.331 23.197 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -11.878 18.264 23.478 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -12.406 17.231 22.465 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -26.067 19.406 20.085 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -25.300 19.538 20.694 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -26.559 20.251 20.140 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -21.201 31.848 19.812 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -21.791 31.770 19.031 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -20.710 32.662 19.656 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -16.686 43.313 -49.623 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -16.144 43.908 -50.149 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -16.551 42.426 -50.044 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -24.109 37.712 -45.493 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -24.550 38.573 -45.353 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -24.710 37.230 -46.109 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -25.161 45.677 -43.850 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -25.046 44.713 -43.708 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -24.333 45.949 -44.300 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -17.031 39.841 -43.138 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -17.379 40.518 -43.774 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -16.807 39.075 -43.704 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -22.866 32.425 -45.951 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -22.112 32.966 -45.614 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.444 31.705 -46.426 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -21.048 41.382 -42.980 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -21.225 41.955 -42.194 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -20.932 40.496 -42.602 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -19.367 43.738 -48.826 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -18.449 43.626 -49.143 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -19.624 44.630 -49.145 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -18.771 39.597 -50.762 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -18.960 39.939 -49.861 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -19.549 39.084 -50.987 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -17.376 39.394 -38.347 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -18.218 39.659 -37.942 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -17.601 39.255 -39.300 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -20.015 46.043 -43.940 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -20.064 46.980 -44.221 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -19.056 45.882 -43.818 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -21.725 49.149 -49.271 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -21.146 49.451 -48.542 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -22.122 49.956 -49.610 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -15.495 45.866 -39.858 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -15.787 45.219 -40.520 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -14.538 45.742 -39.811 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -20.150 47.498 -37.426 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -20.315 46.705 -37.967 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -19.972 48.206 -38.090 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -20.131 43.350 -44.626 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -20.456 42.741 -43.927 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -20.249 44.242 -44.244 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -26.142 46.698 -40.050 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -25.975 46.402 -39.142 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -26.737 47.477 -39.940 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -16.740 48.361 -40.053 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -16.285 47.501 -39.923 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -16.380 48.927 -39.357 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -19.163 36.533 -41.935 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -18.240 36.207 -41.973 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -19.667 35.891 -42.468 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -21.454 37.262 -40.665 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -20.547 37.023 -40.948 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -21.422 38.245 -40.568 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -17.506 36.587 -38.143 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -17.345 36.483 -37.173 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -17.296 37.524 -38.316 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -24.208 41.402 -49.200 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -24.180 42.113 -49.842 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -23.435 41.547 -48.649 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -19.125 40.451 -48.169 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -19.946 40.839 -47.812 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -18.419 41.034 -47.823 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -18.493 39.310 -34.971 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -19.233 39.277 -34.334 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -18.927 39.476 -35.830 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -16.889 41.825 -47.311 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -16.392 41.023 -47.578 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -16.739 42.456 -48.047 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -21.519 36.760 -45.170 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -22.376 37.191 -45.376 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -21.494 36.731 -44.204 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -18.087 38.834 -40.863 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -17.772 39.254 -41.696 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -18.566 38.037 -41.167 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -16.576 36.852 -46.850 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -16.587 37.078 -45.898 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -17.145 36.081 -46.917 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.773 35.973 -46.784 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -26.100 35.680 -47.639 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -25.616 35.141 -46.288 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -16.326 40.800 -50.514 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -16.053 40.155 -49.835 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.147 40.416 -50.887 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -16.451 36.054 -41.764 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -15.889 36.656 -41.261 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -16.588 35.289 -41.151 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -25.177 33.708 -45.336 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -24.338 33.266 -45.624 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -25.684 33.001 -44.923 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -20.235 46.311 -49.347 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -20.744 46.365 -48.517 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -20.481 47.113 -49.826 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -17.979 43.859 -41.390 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -18.845 43.456 -41.218 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -17.348 43.098 -41.359 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -17.340 45.556 -43.404 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.831 45.055 -44.056 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -17.553 44.892 -42.703 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -16.216 41.815 -41.350 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -15.934 41.297 -40.587 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -16.362 41.147 -42.055 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -21.814 47.213 -47.236 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -21.122 47.876 -47.038 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -22.319 47.612 -47.965 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -22.643 46.267 -44.822 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -22.457 46.485 -45.765 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -21.793 45.920 -44.488 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -18.134 48.075 -42.471 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -17.616 48.268 -41.665 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -17.681 47.303 -42.867 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -20.898 42.354 -47.052 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -20.564 42.771 -46.227 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -20.443 42.854 -47.771 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -24.733 40.846 -38.919 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -25.143 41.705 -38.703 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -24.156 41.046 -39.686 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -22.492 48.557 -43.300 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -23.311 48.606 -42.771 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -22.636 47.785 -43.883 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -16.789 34.411 -39.657 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -17.136 35.116 -39.066 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -16.375 33.782 -39.056 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -16.503 39.211 -48.236 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -17.473 39.281 -48.276 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -16.345 38.331 -47.827 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -17.860 41.789 -44.792 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -17.490 41.834 -45.703 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -18.650 42.363 -44.826 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.916 34.028 -45.000 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -21.043 34.218 -44.052 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.945 34.908 -45.422 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -25.937 51.261 -36.452 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -26.664 50.679 -36.141 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -25.247 51.155 -35.779 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -22.234 47.556 -35.625 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -22.937 47.858 -36.239 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -21.420 47.568 -36.173 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -16.587 44.922 -37.440 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -16.177 45.224 -38.272 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -16.822 45.760 -36.970 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -15.773 42.850 -35.745 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -15.468 42.178 -36.394 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -16.032 43.615 -36.297 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -19.992 41.904 -38.817 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -19.650 42.587 -38.198 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -20.510 42.423 -39.485 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.140 41.462 -33.844 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -16.505 41.911 -34.449 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -17.393 40.647 -34.323 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -15.177 40.727 -37.390 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -14.604 40.005 -37.116 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -15.968 40.277 -37.762 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -21.328 39.940 -40.470 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -20.650 40.479 -40.028 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -22.065 40.569 -40.631 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -20.168 36.985 -37.361 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -19.357 36.637 -37.785 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -20.071 37.956 -37.421 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -12.585 33.638 -38.076 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -12.097 32.832 -38.258 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -12.000 34.150 -37.516 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -22.995 37.319 -37.502 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -22.071 37.003 -37.579 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -23.348 37.249 -38.414 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -24.405 43.028 -43.518 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -23.811 42.619 -44.180 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -24.164 42.595 -42.682 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -22.764 41.544 -45.132 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -22.232 41.751 -45.931 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -22.090 41.374 -44.436 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -25.125 40.224 -44.638 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -25.775 40.935 -44.718 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -24.279 40.643 -44.919 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -24.178 35.675 -43.685 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -24.563 34.963 -44.240 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -24.123 36.447 -44.292 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -19.366 49.017 -39.537 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -19.657 49.512 -40.310 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -18.449 48.756 -39.749 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -24.977 47.952 -42.201 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -25.348 47.486 -41.420 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -25.152 47.340 -42.943 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -20.062 49.367 -47.017 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -20.102 49.299 -46.034 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -19.135 49.553 -47.202 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -20.011 48.801 -44.351 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -20.881 48.923 -43.899 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -19.358 48.791 -43.618 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -16.221 37.368 -44.169 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -15.272 37.228 -44.274 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -16.456 36.834 -43.379 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -25.091 39.063 -36.942 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -24.900 39.703 -37.672 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -24.471 38.324 -37.110 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -23.001 37.466 -34.731 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -22.235 36.860 -34.578 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -23.150 37.413 -35.701 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -20.435 45.102 -24.042 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -20.817 45.189 -24.944 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -19.657 45.671 -24.061 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -21.446 39.325 -27.450 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -21.327 38.611 -28.114 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -21.527 40.125 -27.980 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -21.979 42.432 -29.526 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -21.070 42.648 -29.784 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -22.288 41.831 -30.236 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -22.922 38.988 -22.141 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -22.708 39.023 -23.101 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -23.679 38.378 -22.086 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -21.293 45.327 -26.661 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.880 46.104 -26.789 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -20.624 45.410 -27.383 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -22.213 39.465 -24.812 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -21.641 40.232 -24.619 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -21.935 39.183 -25.714 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -18.618 40.570 -31.665 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -17.939 40.834 -32.318 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -19.189 41.355 -31.588 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -20.675 36.214 -34.720 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -20.368 36.366 -35.637 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -19.858 36.018 -34.221 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -23.947 44.181 -30.451 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -23.172 43.693 -30.104 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -23.762 45.117 -30.224 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -19.552 45.667 -28.775 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -20.031 45.524 -29.619 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -18.735 46.103 -29.040 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -22.685 42.856 -26.834 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -22.561 42.632 -27.784 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -22.248 43.729 -26.737 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -21.584 44.566 -21.594 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -21.150 44.745 -22.459 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -22.158 45.329 -21.458 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -25.434 42.872 -32.401 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -24.845 43.383 -31.815 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -26.035 43.540 -32.775 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -24.881 50.110 -29.101 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -24.807 49.257 -29.554 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -24.329 50.717 -29.641 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 -21.089 42.046 -24.505 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 -21.717 42.215 -25.231 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 -20.564 42.858 -24.454 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -17.354 36.800 -35.474 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -17.570 37.732 -35.281 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -17.588 36.328 -34.649 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -25.155 42.084 -29.163 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -24.895 42.867 -29.683 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -25.240 41.377 -29.825 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -22.196 41.128 -31.960 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -21.843 40.401 -32.515 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -21.534 41.844 -32.060 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -23.929 41.061 -20.644 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -23.408 40.493 -21.253 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -23.296 41.748 -20.352 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 -20.035 39.752 -37.218 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 -20.019 40.512 -37.850 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 -20.866 39.867 -36.732 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -27.451 43.959 -28.348 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -28.198 44.588 -28.314 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -27.481 43.603 -29.263 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 -24.978 39.246 -34.206 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 -24.249 38.590 -34.227 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 -25.081 39.511 -35.144 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -24.724 40.006 -31.531 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -23.944 40.597 -31.608 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -25.052 39.931 -32.452 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -18.881 43.580 -34.228 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -19.074 43.624 -35.186 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -18.194 42.881 -34.154 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -22.411 42.966 -19.283 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -22.056 43.560 -19.970 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -21.690 42.321 -19.127 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -21.260 37.583 -29.557 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 -21.961 37.592 -30.250 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -21.225 36.645 -29.264 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -20.156 42.969 -31.860 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -19.698 43.168 -32.707 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 -20.439 43.854 -31.532 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 -28.148 43.060 -30.806 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 -28.911 42.656 -30.327 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 -27.771 42.327 -31.315 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 -16.849 46.747 -31.767 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 -16.374 47.527 -31.469 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 -16.184 46.024 -31.714 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 -20.476 40.980 -19.252 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 -20.209 41.262 -20.160 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 -19.658 41.067 -18.721 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -22.951 46.656 -29.670 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -22.806 47.534 -30.095 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -23.019 46.863 -28.716 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -21.010 45.415 -31.079 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -21.769 45.771 -30.567 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -20.975 45.992 -31.879 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -22.360 49.106 -30.753 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -21.849 48.908 -31.554 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -22.542 50.067 -30.814 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 -27.496 47.478 -27.657 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 -26.967 47.504 -28.481 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 -28.178 46.813 -27.839 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 -17.666 47.100 -36.295 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 -17.894 46.930 -35.357 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 -18.507 47.404 -36.690 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -18.559 46.328 -33.832 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -17.972 46.500 -33.059 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -18.578 45.351 -33.907 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 -21.097 47.153 -33.163 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 -21.598 47.281 -33.999 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 -20.185 46.944 -33.463 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 -19.428 37.965 -31.586 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 -19.043 38.871 -31.511 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 -19.967 37.867 -30.771 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 -24.405 40.712 -25.999 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 -23.832 41.433 -26.319 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 -23.792 40.111 -25.534 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 -22.611 41.784 -14.523 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 -22.607 41.020 -15.135 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 -22.910 42.536 -15.088 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -14.985 44.762 -31.758 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -14.888 43.959 -31.235 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -14.631 44.528 -32.624 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 -19.119 43.914 -37.141 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 -18.190 44.220 -37.248 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 -19.642 44.552 -37.663 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 -20.466 42.010 -21.751 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 -20.808 42.924 -21.719 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 -20.603 41.738 -22.678 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -22.081 38.791 -19.538 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -22.274 38.723 -20.500 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -21.470 39.559 -19.469 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 -15.002 38.090 -23.363 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 -14.582 38.277 -24.204 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 -15.879 37.781 -23.596 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 -20.714 37.865 -17.318 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 -21.042 36.972 -17.087 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 -21.073 38.026 -18.215 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -27.110 51.711 -28.658 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -26.568 52.487 -28.903 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -26.494 50.955 -28.747 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -6.004 37.608 -14.067 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -6.430 37.508 -14.924 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -6.642 38.143 -13.544 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -25.529 43.751 -26.406 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -24.629 43.534 -26.692 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 -25.966 44.083 -27.213 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -23.143 37.730 -31.545 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -23.406 37.329 -32.382 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -23.731 38.509 -31.456 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 -27.521 39.094 -21.449 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 -28.121 38.874 -22.194 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 -27.175 39.992 -21.674 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -23.477 43.452 -16.499 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -23.271 43.471 -17.450 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -24.212 44.096 -16.399 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 -27.429 49.289 -25.482 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -26.582 49.760 -25.657 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 -27.512 48.665 -26.235 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 -26.496 54.047 -24.924 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 -27.230 53.934 -25.555 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 -25.727 53.671 -25.388 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -23.084 47.447 -27.016 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -23.984 47.337 -26.674 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -22.871 48.372 -26.823 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -18.462 35.948 -33.119 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -18.208 35.280 -32.475 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -18.767 36.710 -32.568 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -20.992 39.164 -33.539 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -21.676 38.574 -33.905 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -20.557 38.623 -32.845 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -21.157 34.970 -28.765 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -21.787 34.602 -28.138 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -20.588 34.229 -28.994 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -26.199 36.656 -13.761 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -26.318 35.967 -14.438 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -26.624 37.447 -14.150 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -26.314 35.426 -16.288 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -25.630 36.101 -16.487 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -26.014 34.633 -16.787 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 -24.287 49.687 -34.773 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 -23.486 49.228 -34.488 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 -24.409 49.394 -35.702 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -16.162 39.504 -7.815 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -16.170 39.554 -8.797 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -16.818 40.182 -7.536 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -16.895 42.001 -4.014 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -16.337 42.653 -3.538 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -17.705 42.511 -4.245 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -11.314 46.057 -6.110 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -11.346 46.963 -5.737 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -10.588 45.624 -5.613 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -22.376 46.349 -8.441 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -22.419 46.952 -7.673 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -23.235 46.477 -8.890 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -16.119 43.344 -7.442 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -15.761 44.050 -6.871 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -15.344 43.055 -7.978 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -17.849 41.310 -6.709 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -18.740 41.702 -6.835 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -17.237 42.075 -6.824 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -13.870 42.645 -8.791 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -13.672 42.468 -9.729 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -13.192 43.313 -8.526 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -21.080 43.293 0.392 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -21.042 43.407 1.367 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -20.543 44.027 0.047 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -18.902 43.667 -4.717 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -19.416 43.522 -5.531 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -18.354 44.452 -4.913 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -13.560 49.501 -5.357 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -14.413 49.335 -4.897 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -13.794 50.080 -6.086 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -10.291 43.711 -10.494 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -9.901 44.430 -11.008 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -9.696 42.953 -10.659 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -11.078 46.351 -2.809 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -10.438 45.801 -3.315 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -11.166 47.170 -3.349 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -15.513 39.417 -15.386 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -16.485 39.454 -15.456 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -15.321 39.786 -14.500 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -11.942 44.436 -8.220 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -11.199 44.354 -8.847 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -11.605 45.047 -7.523 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -20.035 39.533 -12.105 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -19.466 39.834 -11.377 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -20.266 40.358 -12.581 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -20.150 42.877 -7.093 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -20.002 43.742 -7.538 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -21.081 42.684 -7.259 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -15.960 49.091 -4.102 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -16.539 49.724 -3.669 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 -15.845 48.374 -3.433 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -16.297 39.930 -10.648 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -15.683 40.208 -11.361 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -17.050 40.558 -10.721 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -10.719 38.643 -15.097 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -10.278 39.217 -15.739 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -10.269 37.783 -15.196 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -23.928 40.377 -12.398 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 -24.878 40.485 -12.524 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -23.529 40.997 -13.039 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -24.946 47.091 -4.234 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -25.113 47.230 -5.191 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -24.263 47.749 -4.018 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 -27.730 45.943 -6.123 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 -27.706 45.841 -5.151 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 -28.427 46.620 -6.275 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -10.576 45.702 -0.181 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -10.781 46.045 -1.077 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -9.820 45.089 -0.328 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -19.047 45.486 0.201 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -18.278 45.018 -0.185 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -18.801 45.620 1.130 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 -19.811 45.432 -8.001 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -19.657 45.989 -7.203 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 -20.695 45.723 -8.325 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -20.005 46.977 -5.754 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -20.142 46.843 -4.809 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -20.781 47.510 -6.035 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -15.249 36.604 -15.802 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -14.328 36.674 -16.116 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -15.520 37.528 -15.654 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -22.452 38.196 -11.731 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -23.020 39.004 -11.752 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -21.539 38.546 -11.813 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -14.492 40.409 -12.768 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -13.975 41.191 -12.505 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -13.832 39.680 -12.782 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -22.096 35.444 -16.732 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -22.402 34.621 -17.136 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -22.009 35.225 -15.776 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -18.161 37.909 -13.553 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -18.235 38.251 -14.472 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -18.881 38.362 -13.073 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -22.678 39.655 -16.325 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -21.888 39.344 -16.805 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -22.773 39.011 -15.585 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -21.933 49.764 -1.961 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -21.680 50.562 -1.491 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -21.458 49.047 -1.486 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -21.602 35.395 -10.831 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -22.506 35.144 -11.097 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -21.623 36.364 -10.815 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 -12.566 36.772 -16.520 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 -12.725 37.706 -16.762 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 -11.592 36.694 -16.492 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 -15.829 44.291 -3.052 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 -14.977 44.734 -2.840 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 -16.245 44.875 -3.719 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -12.484 38.424 -13.000 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -12.028 38.611 -13.850 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -11.752 38.179 -12.393 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 -18.176 43.065 3.701 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 -17.833 42.375 4.298 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 -17.384 43.387 3.228 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -15.674 47.291 -2.116 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -16.143 47.008 -1.324 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -14.857 46.745 -2.121 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 -7.826 39.550 -13.240 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 -8.037 40.129 -12.489 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 -7.159 40.056 -13.749 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -7.378 49.173 -2.519 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -7.474 49.035 -1.565 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -6.933 48.361 -2.831 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -17.972 44.058 -9.507 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -18.580 44.628 -8.984 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -17.241 43.862 -8.887 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -22.815 37.703 -14.442 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -22.479 36.785 -14.429 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -22.850 37.954 -13.499 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 -18.437 41.658 -10.812 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 -18.227 42.457 -10.282 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 -19.124 41.959 -11.430 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -16.990 45.699 -5.168 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -17.408 46.568 -5.260 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -16.153 45.780 -5.673 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -12.630 42.445 -11.463 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -12.039 41.965 -12.091 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -12.032 43.078 -11.021 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -23.451 49.446 -4.225 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -24.322 49.849 -4.024 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -22.919 49.597 -3.407 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -20.333 42.171 -12.948 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -21.178 42.139 -13.456 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -20.270 43.107 -12.642 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -12.547 34.785 -14.630 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -13.034 35.165 -13.863 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -12.587 35.489 -15.311 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -15.679 37.470 -6.005 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -15.782 38.034 -6.810 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -14.728 37.494 -5.818 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -13.941 36.103 -12.703 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -14.824 36.466 -12.478 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -13.379 36.902 -12.805 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -22.121 35.043 -14.004 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -22.890 35.091 -13.388 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -21.391 34.727 -13.449 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -19.489 44.549 -11.885 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -18.881 44.489 -11.121 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -19.659 45.493 -11.978 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -26.923 48.740 -10.456 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -27.231 49.419 -11.099 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -27.374 48.985 -9.624 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -13.589 45.507 -2.192 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -12.696 45.833 -2.447 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -13.430 45.009 -1.354 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 -29.070 44.545 -1.667 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 -28.292 43.953 -1.617 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 -28.773 45.272 -2.245 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -18.962 41.545 -16.973 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -19.820 41.981 -16.931 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -18.503 41.843 -16.151 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -24.224 43.202 -0.071 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -24.431 42.676 0.723 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -23.254 43.269 -0.065 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -14.456 45.479 -6.300 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -13.838 45.603 -5.563 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -13.899 45.569 -7.089 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -25.299 41.394 1.924 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 -24.908 40.539 1.667 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -25.495 41.289 2.880 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -18.047 42.164 -14.512 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -18.832 42.171 -13.927 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -17.310 42.351 -13.922 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -18.448 38.973 -16.062 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -18.546 39.865 -16.452 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -19.158 38.449 -16.491 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -20.335 40.598 0.673 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -19.621 40.376 0.056 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -20.566 41.526 0.452 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -24.523 39.140 0.352 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -24.371 38.357 -0.216 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -25.146 39.694 -0.166 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -25.665 45.153 -16.235 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -26.288 45.364 -16.936 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -26.135 45.400 -15.414 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -29.008 52.887 -10.871 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -28.338 53.519 -10.599 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -29.765 53.448 -11.158 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -25.642 47.557 -6.812 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -26.392 46.934 -6.689 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -25.318 47.365 -7.718 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -12.929 44.322 0.178 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -13.070 43.978 1.078 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -12.061 44.780 0.229 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -10.682 41.441 -13.006 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -9.892 41.485 -12.427 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -10.316 41.303 -13.897 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -9.367 44.982 -4.448 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -8.442 45.266 -4.481 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -9.311 43.994 -4.370 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 -11.221 48.393 -4.595 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 -12.054 48.861 -4.839 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 -10.585 49.122 -4.403 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 -10.048 41.964 -15.633 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 -10.283 41.346 -16.364 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 -10.887 42.381 -15.396 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -10.873 40.218 -17.493 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -10.751 39.978 -18.417 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 -11.797 39.936 -17.291 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -13.440 39.330 -17.188 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -13.974 39.420 -17.987 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -14.097 39.391 -16.454 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 -9.849 36.160 -16.141 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 -9.283 35.846 -16.854 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 -9.846 35.424 -15.491 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -26.089 50.312 -3.778 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -26.390 50.954 -3.126 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -26.806 49.638 -3.801 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -24.032 35.845 -12.232 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -24.902 36.015 -12.662 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -23.768 36.714 -11.882 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -20.291 33.526 -8.353 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -19.875 32.964 -9.028 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -20.862 34.121 -8.860 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -15.964 35.414 -9.862 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -16.783 35.030 -10.194 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -15.767 36.135 -10.496 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 -25.025 46.970 -9.386 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 -25.384 47.758 -9.845 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 -25.670 46.265 -9.595 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -24.258 37.137 -16.795 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -23.496 36.541 -16.956 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -24.114 37.463 -15.885 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -16.155 37.422 -11.750 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -16.164 38.274 -11.265 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -16.877 37.518 -12.412 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -13.250 43.028 6.090 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -13.471 43.948 5.841 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -12.440 42.836 5.587 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -17.753 43.675 6.774 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -18.422 42.966 6.664 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -17.006 43.233 7.190 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -26.735 38.683 8.625 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -27.401 38.333 7.999 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -26.674 37.998 9.320 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -11.813 39.450 11.676 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -11.763 39.614 12.628 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -11.841 38.474 11.605 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -11.767 36.701 11.465 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -11.467 36.949 10.563 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -11.790 35.718 11.446 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -18.738 34.765 10.475 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -18.644 33.854 10.128 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -18.187 35.310 9.864 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -19.731 41.781 6.447 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -19.310 41.119 7.047 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -20.199 41.233 5.781 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -22.663 31.728 17.423 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -22.260 31.198 16.703 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -23.572 31.361 17.508 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -13.713 45.614 5.001 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -14.614 46.010 5.067 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -13.128 46.376 4.921 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -22.777 39.195 8.468 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -22.854 39.742 9.261 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -22.082 38.541 8.697 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -11.835 37.629 14.020 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -11.838 37.218 13.127 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -12.685 37.384 14.397 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -16.064 47.033 4.837 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -16.640 47.745 5.155 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -16.553 46.653 4.087 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -15.036 41.026 6.586 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -14.521 41.844 6.422 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -15.760 41.058 5.927 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -21.392 43.825 5.718 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -20.707 43.260 6.137 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -22.220 43.315 5.835 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 -23.175 41.669 5.862 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 -23.527 41.088 6.553 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -22.465 41.138 5.441 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -21.162 35.522 11.238 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -21.104 35.710 12.199 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -20.274 35.140 11.014 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -19.767 32.855 15.874 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -20.146 32.030 16.200 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -20.513 33.491 15.911 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -21.207 39.900 10.947 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -20.618 40.563 10.563 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -20.955 39.064 10.490 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -20.144 37.803 5.816 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -20.874 37.191 5.953 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -19.534 37.618 6.569 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -18.358 39.955 7.874 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -18.508 38.994 8.004 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -17.398 40.050 7.913 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -24.441 37.013 12.611 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -24.086 36.621 11.790 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -23.781 37.687 12.860 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -25.794 37.324 4.921 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -24.983 37.210 4.374 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -25.514 37.938 5.631 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -24.877 39.195 6.749 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -24.043 39.087 7.262 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -25.585 39.153 7.437 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -16.759 32.197 11.697 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -17.393 32.122 12.446 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -17.327 32.124 10.895 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -22.271 39.299 2.146 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -21.550 39.753 1.648 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -23.017 39.273 1.512 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -14.997 37.033 10.207 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -14.745 36.190 10.604 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -15.799 36.820 9.687 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -22.308 38.794 13.258 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -22.524 39.549 13.816 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -21.914 39.196 12.450 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -18.714 48.293 5.179 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -18.882 47.329 5.299 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -19.046 48.693 5.988 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -16.124 44.220 2.253 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -16.662 45.007 2.485 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -16.173 44.181 1.274 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -25.646 40.889 4.648 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -25.457 40.131 5.234 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -24.956 41.537 4.877 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -19.093 45.588 5.347 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -19.967 45.157 5.414 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -18.488 44.974 5.831 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -13.482 43.712 2.931 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -14.431 43.727 2.685 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -13.412 44.384 3.637 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -6.519 42.383 2.523 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -6.164 43.198 2.118 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -6.249 41.675 1.903 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -20.280 48.071 -0.385 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -20.073 48.346 0.526 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -19.983 47.143 -0.424 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -19.670 48.272 2.464 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -20.408 47.663 2.708 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -19.391 48.658 3.316 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -15.459 34.122 10.303 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -16.070 33.624 10.885 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -16.056 34.671 9.741 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -17.938 46.177 2.874 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -18.423 45.835 3.659 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -18.402 47.016 2.653 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -12.112 41.348 8.283 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -12.568 41.971 7.695 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -12.819 40.748 8.592 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -21.162 40.131 4.740 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -20.881 39.267 5.117 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -21.477 39.909 3.840 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -20.764 37.619 9.508 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -19.938 37.427 8.993 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -20.891 36.817 10.061 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -21.406 46.351 3.275 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -21.132 45.434 3.063 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -22.131 46.242 3.898 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -16.691 44.131 -0.483 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -16.469 44.337 -1.416 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -16.395 43.198 -0.374 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -20.716 43.698 3.071 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 -19.774 43.421 3.186 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -21.101 43.596 3.963 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -11.334 41.877 3.967 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -11.838 41.121 4.343 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -11.994 42.367 3.443 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -21.399 36.260 13.848 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -21.621 37.213 13.759 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -21.035 36.181 14.741 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -22.178 34.179 16.122 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -22.848 34.248 15.416 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -22.529 33.492 16.720 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -21.475 30.168 15.474 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -22.123 29.464 15.233 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -21.042 30.391 14.624 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -5.241 41.815 4.871 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -4.603 42.537 4.940 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -5.789 42.052 4.089 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -6.784 39.916 6.150 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -6.337 40.682 5.722 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -7.058 40.259 7.035 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -8.783 40.906 3.140 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -9.625 41.291 3.459 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -8.197 41.679 3.019 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -12.886 39.934 5.153 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -13.664 40.334 5.586 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -12.599 39.242 5.784 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -12.557 38.130 7.223 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -11.820 37.865 7.812 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -13.178 38.594 7.822 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -23.702 35.565 10.330 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -22.760 35.541 10.632 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -23.782 34.792 9.760 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -27.631 36.040 3.302 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -28.033 35.462 3.986 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -26.948 36.547 3.791 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -23.540 34.590 13.659 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -24.217 35.249 13.411 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -22.704 35.103 13.674 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -27.284 34.409 0.008 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -26.757 34.700 0.765 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -26.633 34.333 -0.726 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -23.437 37.213 3.541 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -23.100 38.049 3.155 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -22.821 36.547 3.229 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -24.576 53.153 -26.721 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -23.775 53.672 -26.590 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -24.887 53.412 -27.617 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 -25.092 50.438 -26.391 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 -25.001 50.277 -27.351 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 -24.923 51.397 -26.294 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -25.529 53.958 -29.171 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -25.309 54.223 -30.068 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -26.318 54.513 -28.942 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -28.091 49.097 -19.366 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -28.883 49.266 -19.920 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -27.486 49.812 -19.596 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -23.366 51.701 -30.853 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -24.071 51.482 -31.515 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -23.080 52.587 -31.097 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -25.344 50.956 -32.474 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -25.145 50.511 -33.324 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -26.216 50.595 -32.211 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -4.501 -26.376 14.150 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -5.274 -26.951 14.321 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -3.762 -26.838 14.577 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 8.119 -27.192 9.919 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 8.512 -28.090 9.958 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 7.876 -26.997 10.850 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -6.743 -28.472 8.392 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -6.160 -27.871 7.898 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -6.462 -29.363 8.105 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 3.779 -32.813 11.817 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 4.321 -32.713 12.620 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 3.379 -33.714 11.911 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -3.453 -28.519 7.618 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -3.999 -27.733 7.405 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -4.041 -29.278 7.418 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -1.903 -31.922 11.249 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -1.463 -32.297 10.454 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -2.526 -31.263 10.886 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 6.355 -28.835 6.854 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 6.930 -29.464 7.357 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 6.508 -29.064 5.931 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -4.356 -30.431 13.961 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -4.591 -30.033 14.813 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -4.079 -31.348 14.193 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 7.252 -26.355 12.371 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 7.313 -27.134 12.961 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 6.931 -25.632 12.958 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 2.929 -25.166 10.963 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 3.595 -24.546 11.330 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 3.448 -25.966 10.741 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 6.523 -26.292 7.923 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 6.447 -27.088 7.355 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 7.242 -26.519 8.556 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 5.187 -27.405 14.989 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 4.667 -27.729 14.224 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 6.103 -27.649 14.774 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 4.404 -29.539 8.720 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 5.031 -29.360 7.987 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 4.391 -28.705 9.228 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 7.590 -30.625 8.417 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 8.304 -30.326 9.017 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 7.075 -31.250 8.953 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 5.753 -30.518 15.066 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 5.685 -31.460 14.824 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 5.086 -30.400 15.764 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -5.289 -30.638 7.351 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -5.682 -31.167 6.647 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.578 -31.220 7.719 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 4.815 -27.007 9.979 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 5.528 -26.997 10.636 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 5.227 -26.619 9.177 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -0.152 -29.093 9.784 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 0.475 -29.821 9.631 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 0.208 -28.355 9.256 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -3.094 -32.111 7.985 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -2.417 -31.503 7.613 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -2.575 -32.786 8.443 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -5.957 -26.715 16.958 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -6.359 -27.244 16.237 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -6.510 -25.905 16.989 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -9.147 -24.189 9.798 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -9.397 -24.857 10.474 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -9.850 -23.537 9.839 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 2.584 -24.728 8.315 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 2.520 -24.925 9.273 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 3.525 -24.465 8.192 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -5.195 -26.503 6.992 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -5.904 -25.999 7.455 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -5.051 -26.008 6.175 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 5.210 -23.982 8.534 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 5.711 -23.152 8.432 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 5.818 -24.679 8.192 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -1.687 -29.909 16.074 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -1.585 -30.332 16.954 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -2.523 -29.402 16.148 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -1.671 -33.661 13.333 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -2.397 -33.422 13.936 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -1.901 -33.213 12.493 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 5.670 -31.802 10.087 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 4.933 -32.239 10.571 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 5.223 -31.134 9.526 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 0.081 -32.297 15.672 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -0.808 -31.902 15.747 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 0.679 -31.610 16.050 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 2.743 -35.211 12.466 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 2.009 -35.016 13.095 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 2.734 -36.168 12.383 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -5.875 -29.021 12.184 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -5.400 -29.669 12.750 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -5.265 -28.859 11.452 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 1.596 -31.558 10.629 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 2.414 -31.994 10.939 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 1.085 -31.402 11.450 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 6.550 -34.198 11.475 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 6.777 -35.046 11.081 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 6.480 -33.592 10.718 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -0.409 -32.678 9.094 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -0.138 -32.533 8.174 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 0.354 -32.356 9.619 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 0.719 -34.570 14.203 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.162 -34.541 13.763 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 0.712 -33.790 14.786 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 1.171 -34.822 5.684 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 0.947 -34.757 4.749 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 1.088 -35.759 5.884 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 7.344 -28.814 13.672 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 6.886 -29.377 14.339 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 7.524 -29.430 12.934 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -2.279 -29.074 12.816 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -2.461 -29.151 11.856 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -3.012 -29.570 13.237 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 0.964 -27.146 8.097 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 1.676 -26.479 8.033 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 1.356 -27.955 7.704 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -4.062 -28.648 16.607 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -4.315 -29.470 17.081 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -4.753 -27.996 16.869 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -3.523 -32.675 15.260 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -3.379 -33.582 15.622 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -3.846 -32.165 16.029 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 3.123 -25.797 15.759 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 3.822 -26.397 15.417 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 3.608 -24.962 15.959 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 9.080 -29.708 10.535 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 8.648 -30.319 11.166 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 9.734 -29.220 11.085 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -2.820 -29.463 10.172 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -1.847 -29.403 10.014 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.212 -29.133 9.341 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 1.763 -29.842 7.716 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 2.671 -29.829 8.081 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 1.659 -30.759 7.376 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -1.398 -25.775 7.654 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -2.009 -26.517 7.557 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -0.524 -26.202 7.787 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 6.477 -22.829 20.066 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 6.913 -23.525 20.608 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 6.277 -22.117 20.708 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -1.256 -30.283 7.106 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -1.796 -29.478 7.198 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -0.344 -29.975 7.218 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -6.764 -27.892 14.576 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -6.575 -28.361 13.737 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -7.594 -27.402 14.394 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 1.458 -22.619 6.992 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 1.870 -22.651 6.119 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 1.854 -23.384 7.474 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 1.698 -32.570 7.172 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 2.141 -33.018 7.899 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 1.485 -33.294 6.539 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 0.187 -31.260 12.951 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -0.614 -31.438 12.405 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 0.128 -31.911 13.674 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -1.256 -23.011 7.476 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -0.319 -22.831 7.252 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -1.345 -23.985 7.364 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 5.829 -33.080 13.828 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 5.984 -33.720 14.536 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 6.094 -33.563 13.006 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 6.289 -24.055 13.588 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 6.623 -23.169 13.824 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 5.734 -23.893 12.797 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -7.416 -25.470 8.157 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -7.958 -24.894 8.750 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -7.715 -26.369 8.366 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -4.127 -22.210 19.567 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -3.672 -23.069 19.451 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 -5.008 -22.355 19.198 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 2.871 -26.740 18.346 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 2.897 -26.377 17.439 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 3.354 -26.080 18.879 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -2.219 -27.157 18.231 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -2.536 -27.733 18.965 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -2.715 -27.471 17.455 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 1.449 -30.095 16.485 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 2.408 -29.894 16.571 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 1.022 -29.505 17.153 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 3.937 -29.006 16.870 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 4.484 -28.413 16.315 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 3.696 -28.457 17.640 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -4.138 -31.213 17.575 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -3.191 -31.257 17.827 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -4.603 -31.562 18.359 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 0.421 -28.081 17.928 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -0.412 -27.621 18.159 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 1.122 -27.526 18.324 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -2.919 -34.917 16.621 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -3.334 -34.991 17.503 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -1.965 -35.010 16.798 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -5.465 -37.011 18.961 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -5.424 -37.539 18.156 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 -5.927 -37.571 19.592 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -3.970 -34.779 19.165 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -4.550 -34.072 19.494 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -4.546 -35.581 19.160 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -0.189 -34.676 17.148 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 0.285 -35.269 16.547 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -0.073 -33.791 16.750 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 -6.477 -23.279 6.685 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 -7.176 -23.066 6.058 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 -6.857 -23.993 7.235 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 9.934 -19.784 11.638 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 9.922 -20.574 11.039 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 10.611 -19.998 12.290 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 10.225 -28.171 12.460 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 9.609 -28.181 13.204 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 10.958 -27.624 12.762 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 4.378 -24.410 19.229 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 5.128 -23.871 19.559 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 4.403 -24.274 18.259 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 7.406 -31.141 12.160 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 7.167 -31.717 12.905 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 6.782 -31.396 11.451 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -8.086 -28.127 10.769 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.402 -28.472 11.379 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -7.734 -28.333 9.877 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 9.021 -24.646 10.753 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 8.411 -24.896 11.465 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 9.064 -25.440 10.192 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -1.578 -24.161 21.563 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -1.028 -23.460 21.971 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -2.339 -24.262 22.180 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 2.200 -21.489 14.579 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 3.109 -21.495 14.963 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 1.645 -21.892 15.276 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 4.830 -23.897 16.494 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 4.716 -22.934 16.337 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 5.581 -24.140 15.929 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -5.988 -21.480 12.878 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -5.697 -22.202 13.480 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -5.498 -21.653 12.043 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -2.471 -24.871 13.071 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -3.431 -25.046 13.062 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -2.116 -25.557 13.671 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 0.295 -22.594 22.885 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 0.851 -23.262 23.343 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 0.927 -21.900 22.613 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -3.304 -23.863 25.914 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -2.619 -23.226 25.602 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -4.140 -23.499 25.567 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 3.692 -23.735 25.919 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 2.854 -23.574 26.408 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 4.291 -24.088 26.587 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 1.409 -24.558 24.483 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 1.067 -24.294 25.363 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 2.366 -24.655 24.625 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -4.228 -32.073 20.206 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -3.356 -32.451 20.388 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -4.375 -31.444 20.939 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -2.465 -24.722 28.409 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -2.718 -24.444 27.502 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -3.304 -24.836 28.862 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -0.540 -28.654 22.862 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -0.046 -28.874 23.660 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -0.245 -27.732 22.644 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 1.159 -23.574 27.042 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 0.492 -22.877 27.090 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 0.919 -24.186 27.784 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.639 -29.945 22.051 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -4.226 -29.209 22.550 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -5.548 -29.968 22.373 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 0.153 -25.025 29.089 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -0.808 -24.957 28.879 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 0.182 -25.553 29.891 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 0.118 -26.076 22.591 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -0.445 -25.446 22.094 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 0.537 -25.526 23.288 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -3.189 -27.655 22.658 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -2.304 -27.971 22.924 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -3.167 -27.685 21.683 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 7.329 -24.861 21.711 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 7.612 -25.005 22.619 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 7.201 -25.748 21.357 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -3.017 -28.889 20.119 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -3.778 -29.327 20.548 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -2.258 -29.478 20.322 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -0.968 -30.514 20.906 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -0.597 -31.343 21.235 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -0.719 -29.851 21.591 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -1.508 -31.346 18.353 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -1.189 -30.840 19.128 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -1.460 -32.286 18.650 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 -1.451 -33.793 19.487 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 -2.270 -34.331 19.513 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 -0.861 -34.286 18.881 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -3.554 -24.914 23.325 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -3.330 -24.831 24.273 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -3.562 -25.880 23.164 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -5.410 -22.979 24.210 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -4.899 -23.563 23.612 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -6.169 -22.682 23.666 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 3.947 -22.339 23.559 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 3.935 -22.770 24.444 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 3.817 -23.089 22.927 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -2.759 -24.595 19.145 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -2.515 -25.509 18.888 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -2.257 -24.439 19.977 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -2.534 -13.895 6.565 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -2.051 -13.160 6.180 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -3.405 -13.505 6.816 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 2.289 -13.414 14.641 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 1.563 -13.073 14.071 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 1.884 -13.474 15.528 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -6.465 -10.381 10.755 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -5.717 -9.760 10.616 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -7.168 -9.824 11.154 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -2.734 -8.485 12.666 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -3.281 -8.598 11.863 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -2.028 -7.850 12.393 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 9.202 -17.165 12.170 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 9.849 -16.584 11.751 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 9.528 -18.072 11.972 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -3.316 -18.349 12.137 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -3.188 -18.885 11.331 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -4.255 -18.504 12.384 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 5.987 -21.245 8.983 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 6.404 -20.872 9.795 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 6.459 -20.822 8.260 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -7.634 -14.825 10.542 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -6.965 -15.539 10.504 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -7.213 -14.080 10.070 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -2.307 -16.428 7.431 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -3.184 -16.736 7.172 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -2.285 -15.485 7.124 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 8.368 -16.715 15.044 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 8.868 -16.672 14.214 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 7.793 -17.502 14.936 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 6.627 -21.207 13.624 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 6.768 -20.307 13.989 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 6.690 -21.083 12.658 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -1.942 -13.928 11.801 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -1.730 -14.596 11.115 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -2.919 -13.896 11.808 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 4.708 -21.323 15.588 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 5.271 -21.157 16.381 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 5.339 -21.285 14.837 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 4.124 -17.576 15.354 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 3.539 -18.290 15.035 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 3.917 -16.818 14.762 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -5.939 -12.808 9.704 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -6.201 -11.914 10.030 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -5.363 -13.160 10.414 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -4.346 -8.708 10.390 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -4.439 -7.741 10.255 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -3.630 -8.961 9.784 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -0.894 -6.581 12.216 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -0.601 -5.994 12.939 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -0.674 -6.088 11.402 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -2.936 -8.446 18.599 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -3.325 -8.133 19.427 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -2.195 -9.015 18.883 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -6.042 -5.122 11.066 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -6.150 -5.626 11.904 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -5.265 -5.540 10.632 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 4.559 -16.392 17.793 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 5.525 -16.202 17.755 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 4.381 -16.880 16.957 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -1.506 -16.063 10.072 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -1.805 -16.066 9.141 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -0.950 -16.863 10.144 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -0.506 -18.477 6.889 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -1.091 -17.799 7.300 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -0.171 -18.044 6.095 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 3.321 -21.568 9.636 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 4.231 -21.418 9.300 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 2.800 -20.842 9.246 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 2.512 -18.984 13.604 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 2.450 -19.929 13.865 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 3.118 -18.985 12.828 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -2.732 -19.930 9.940 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -2.767 -20.018 8.962 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -3.390 -20.585 10.260 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 6.328 -12.284 11.630 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 6.802 -11.873 10.898 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 5.681 -11.620 11.898 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -1.260 -10.363 14.140 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -1.684 -9.717 13.536 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -1.958 -10.565 14.800 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 3.424 -15.629 13.615 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 2.997 -14.804 13.955 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 4.257 -15.313 13.210 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 -0.517 -5.438 9.726 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 -1.257 -4.792 9.624 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 0.195 -5.065 9.194 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 -4.872 -12.691 7.195 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 -5.585 -12.239 6.738 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 -5.211 -12.811 8.110 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -2.651 -6.767 16.516 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -1.717 -6.509 16.591 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -2.782 -7.405 17.257 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -1.748 -7.927 9.420 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -1.153 -7.158 9.545 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -1.172 -8.692 9.524 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -0.006 -12.782 13.355 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -0.660 -13.177 12.734 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -0.372 -11.898 13.556 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 4.927 -23.355 11.263 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 4.535 -22.477 11.118 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 5.209 -23.638 10.369 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 1.194 -20.166 8.321 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 0.695 -19.571 7.721 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 1.269 -21.004 7.818 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -0.363 -18.599 10.081 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 0.233 -19.125 9.516 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -1.228 -19.059 10.015 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 7.226 -15.856 17.428 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 7.979 -15.715 18.008 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 7.629 -16.110 16.569 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 4.147 -18.671 11.455 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 3.778 -18.298 10.649 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 4.969 -18.161 11.601 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -6.420 -14.930 13.759 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -6.513 -14.774 14.723 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -7.293 -15.276 13.486 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -3.766 -6.083 9.912 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -3.431 -5.172 9.764 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -3.031 -6.657 9.615 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 0.185 -9.491 16.333 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -0.224 -9.793 15.492 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 0.052 -8.527 16.330 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 5.945 -14.717 12.842 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 6.071 -13.883 12.329 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 6.428 -14.563 13.664 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 1.018 -13.799 17.090 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 1.833 -13.853 17.632 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 0.507 -13.066 17.496 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 2.823 -17.400 19.780 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 3.435 -17.854 20.400 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 3.389 -17.168 19.011 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 3.406 -13.984 18.398 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 4.033 -13.320 18.086 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 3.826 -14.844 18.158 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 5.867 -20.992 22.110 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 6.597 -20.899 22.731 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 5.175 -21.469 22.621 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -8.864 -4.052 6.354 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -9.798 -3.830 6.576 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -8.937 -4.794 5.745 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 6.483 -17.256 11.984 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 7.464 -17.171 12.004 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 6.162 -16.340 12.163 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 6.482 -18.583 14.399 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 6.330 -18.144 13.540 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 5.710 -18.314 14.945 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -10.064 -15.261 18.996 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -10.163 -16.203 19.283 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -9.759 -15.329 18.068 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 -5.007 -18.340 15.719 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 -4.552 -19.123 15.348 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 -5.934 -18.436 15.416 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -4.722 -14.170 11.799 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -5.270 -14.325 12.602 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -4.860 -14.980 11.265 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -4.610 -21.827 10.552 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -4.111 -22.633 10.300 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -5.054 -21.552 9.714 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 3.151 -6.333 16.529 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 3.703 -6.446 15.747 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 3.089 -7.243 16.913 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 6.470 -21.477 17.651 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 7.356 -21.105 17.661 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 6.427 -22.018 18.469 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 0.302 -6.532 16.438 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 0.038 -6.018 15.644 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 1.266 -6.376 16.509 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -6.670 -6.145 13.493 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -5.766 -6.140 13.870 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -7.226 -5.768 14.192 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -3.922 -6.459 14.130 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -3.407 -6.541 14.967 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -3.560 -7.170 13.557 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 7.189 -19.963 11.163 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 6.877 -19.063 11.362 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 8.159 -19.916 11.296 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 9.833 -22.066 10.209 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 9.542 -22.948 10.538 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 10.215 -22.254 9.347 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -5.061 -21.197 7.980 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -5.531 -21.846 7.420 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -4.283 -20.939 7.450 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -3.050 -23.821 9.532 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -2.516 -23.439 8.806 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -3.439 -24.617 9.146 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -2.453 -20.491 7.266 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -1.764 -19.879 6.943 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -2.045 -21.379 7.186 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 3.442 -24.386 21.847 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 2.741 -25.048 21.846 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 3.765 -24.379 20.919 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 3.190 -6.275 22.503 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 4.054 -5.855 22.602 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 3.365 -7.215 22.638 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -6.639 -16.176 21.674 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -6.483 -16.502 22.574 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -7.221 -15.388 21.800 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -9.273 -14.197 27.758 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -9.087 -14.998 27.254 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -9.950 -14.464 28.389 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -4.939 -14.681 25.756 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -4.082 -14.529 26.193 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -5.443 -13.872 25.941 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -2.949 -13.180 27.152 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -2.604 -12.887 28.002 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -3.745 -12.622 27.010 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -0.183 -9.154 23.214 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 0.624 -9.674 23.147 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 0.121 -8.283 23.571 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -9.862 -8.444 23.334 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -9.785 -9.119 24.035 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -9.074 -7.877 23.464 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.094 -13.129 21.590 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.074 -13.626 22.433 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 0.660 -13.492 21.088 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -4.064 -12.068 23.880 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -3.520 -12.833 24.176 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -3.431 -11.514 23.373 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 1.806 -14.935 20.386 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 2.070 -15.871 20.237 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 2.392 -14.427 19.780 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -3.230 -3.574 25.390 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -3.764 -3.346 24.591 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -2.870 -2.728 25.680 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 0.682 -18.659 21.040 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 1.331 -18.245 20.431 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 1.175 -19.396 21.448 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -2.134 -13.820 24.585 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -1.238 -14.181 24.419 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -2.132 -13.599 25.538 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 0.207 -14.983 23.714 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -0.243 -15.813 23.445 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 1.120 -15.261 23.896 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -6.959 -19.236 23.248 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.152 -20.176 23.435 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -6.470 -18.930 24.037 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 0.720 -18.323 27.290 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 0.978 -17.566 27.825 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 0.238 -18.893 27.899 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -4.668 -16.422 23.728 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -4.702 -15.684 24.385 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -4.876 -17.220 24.263 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -5.490 -18.438 25.448 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -5.654 -19.378 25.703 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -5.536 -17.958 26.284 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -4.404 -9.544 21.485 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.557 -8.751 22.038 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -3.525 -9.865 21.763 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 4.087 -18.701 21.850 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 3.409 -19.370 22.069 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 4.913 -19.214 21.789 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 2.618 -16.614 23.193 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 3.250 -17.259 22.816 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 2.520 -15.947 22.498 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -0.490 -11.671 17.960 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -0.262 -10.999 17.280 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -0.573 -11.149 18.784 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 0.773 -6.738 23.824 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 1.591 -6.314 23.510 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 0.200 -5.984 24.097 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -2.090 -10.906 22.400 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -1.486 -10.237 22.797 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -1.486 -11.583 22.041 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -0.871 -4.646 24.318 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -0.904 -4.024 23.584 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -1.707 -4.494 24.799 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 2.600 -8.760 17.532 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 1.978 -9.286 16.993 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 2.091 -8.542 18.334 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -6.307 -10.858 22.939 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -5.815 -10.324 22.282 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -5.624 -11.446 23.322 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.324 -18.677 24.655 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 1.181 -18.579 25.627 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 1.842 -17.883 24.407 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -0.799 -9.675 19.903 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -0.133 -9.033 19.569 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -1.211 -9.213 20.656 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -0.683 -17.519 23.109 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -0.287 -17.858 22.275 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -0.169 -17.964 23.809 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 2.137 -20.458 22.741 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 2.792 -21.096 23.113 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 1.843 -19.930 23.522 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -4.211 -6.387 20.850 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -3.296 -6.700 20.999 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -4.700 -6.709 21.633 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -7.739 -6.770 23.963 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 -7.528 -5.949 23.471 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 -7.750 -6.485 24.896 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 3.500 -4.553 18.630 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 4.154 -3.907 18.348 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 3.410 -5.157 17.862 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 -0.762 -15.394 19.477 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 -0.569 -15.996 18.732 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 0.121 -15.147 19.818 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -1.792 -7.526 21.494 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -1.216 -7.829 22.220 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -1.449 -6.628 21.272 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 -7.396 -4.935 26.146 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 -8.022 -4.713 26.843 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 -6.513 -4.879 26.587 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 -7.818 -18.549 20.772 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 -7.659 -18.871 21.689 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 -7.534 -17.613 20.800 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 -6.237 -21.008 25.921 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 -7.124 -21.387 26.053 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 -5.765 -21.686 25.393 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 -6.601 -20.536 19.289 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 -7.244 -20.848 18.644 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -7.075 -19.828 19.776 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 -1.551 -22.046 24.856 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 -1.636 -21.088 24.823 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 -0.921 -22.257 24.136 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -5.215 -7.527 23.146 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -4.693 -7.263 23.915 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -6.145 -7.450 23.450 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 1.613 -5.258 20.453 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 2.136 -5.585 21.216 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 2.291 -4.884 19.840 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 -4.549 13.468 -2.433 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 -3.947 12.880 -2.906 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 -3.981 13.900 -1.755 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -9.605 13.251 -3.082 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -8.781 12.762 -2.855 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -9.683 13.149 -4.054 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -5.035 14.961 -8.964 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -5.493 15.496 -8.270 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -4.426 15.600 -9.390 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -5.311 12.879 -7.122 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -5.144 13.592 -7.774 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -5.114 12.071 -7.601 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -8.775 15.839 -2.714 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -9.161 14.940 -2.840 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -7.814 15.694 -2.777 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -9.738 13.425 -8.693 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -10.419 14.049 -8.998 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -9.342 13.090 -9.512 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 -9.816 17.273 -0.603 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -10.276 16.636 -0.045 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -9.503 16.739 -1.367 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 -6.491 15.024 5.748 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 -7.345 15.453 5.978 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 -6.327 15.302 4.824 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -11.320 18.189 -9.218 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -10.828 17.788 -8.466 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -10.701 18.130 -9.965 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -5.976 15.573 -3.466 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -5.479 14.893 -2.959 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -6.352 15.066 -4.229 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -9.159 17.878 -4.616 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -8.187 17.918 -4.745 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -9.281 17.165 -3.954 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -6.441 17.950 -4.767 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -5.644 18.509 -4.625 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -6.241 17.122 -4.278 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -7.017 12.454 -2.738 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -6.119 12.619 -2.390 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -6.970 12.767 -3.665 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -6.966 13.711 -5.152 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -6.377 13.390 -5.879 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -7.869 13.670 -5.542 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -11.247 14.953 -10.485 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -10.804 14.250 -10.999 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -10.623 15.706 -10.529 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -6.085 5.317 12.877 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -6.585 5.342 13.721 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -5.869 6.259 12.704 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -5.704 8.048 12.864 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -5.009 8.537 12.377 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -5.702 8.450 13.760 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -7.579 2.356 6.926 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -8.012 3.131 7.341 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -7.518 2.604 5.973 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 -7.532 4.331 10.744 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 -7.386 3.371 10.624 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 -6.940 4.574 11.490 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -2.352 -0.828 9.646 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -2.677 -0.608 8.741 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -1.583 -0.260 9.763 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -5.169 2.697 8.509 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -5.557 2.284 7.722 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -5.627 2.271 9.251 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -5.824 11.090 10.727 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -5.052 10.498 10.831 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -5.439 11.983 10.685 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -8.245 8.180 11.918 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -8.703 8.630 12.662 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -7.311 8.108 12.221 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -2.549 -3.658 9.385 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -2.945 -3.499 8.492 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -2.490 -2.764 9.776 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -3.792 9.127 11.112 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 -3.914 8.181 10.847 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 -2.850 9.282 10.997 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -7.207 6.245 15.272 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -6.843 7.151 15.223 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -7.098 5.996 16.211 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -8.438 9.363 22.107 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -8.156 10.102 22.700 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -9.009 8.822 22.665 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -4.873 19.704 7.205 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -4.012 19.953 7.604 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -4.721 19.797 6.240 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 -6.127 8.817 15.497 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 -5.485 8.509 16.171 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 -6.679 9.472 15.972 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -4.467 -0.626 11.456 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -5.167 -1.244 11.158 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -3.757 -0.731 10.794 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -0.331 -4.807 14.326 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 0.124 -3.981 14.134 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -1.268 -4.533 14.491 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -3.996 6.483 10.502 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -4.276 6.210 9.595 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -4.215 5.723 11.052 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 -3.068 -0.160 7.107 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 -4.029 0.065 7.037 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 -2.641 0.444 6.491 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -9.109 -0.777 11.927 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -8.883 -1.386 12.660 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -8.267 -0.638 11.471 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -5.710 0.274 6.701 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -6.514 0.825 6.653 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -6.037 -0.642 6.571 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -4.521 7.692 17.512 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -3.858 6.970 17.369 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 -4.081 8.295 18.120 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -6.477 -2.382 6.714 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -6.819 -2.436 7.621 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -7.089 -2.936 6.200 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -4.147 3.689 14.007 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -4.426 2.775 13.821 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -4.852 4.240 13.608 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.880 5.380 8.163 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -5.300 5.522 7.309 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -4.921 4.406 8.295 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -6.654 13.526 12.955 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -6.118 13.813 12.184 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -6.767 12.579 12.821 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -8.143 12.269 8.123 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -7.988 11.438 8.601 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -7.513 12.238 7.379 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -9.929 13.317 19.818 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -9.902 14.294 19.870 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -10.053 13.131 18.858 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -2.513 5.860 17.475 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -2.294 5.576 16.555 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -1.879 5.391 18.021 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -1.943 4.974 14.991 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -1.434 5.118 14.191 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -2.756 4.511 14.681 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 -4.953 0.998 16.274 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 -4.614 0.857 15.360 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 -5.024 1.960 16.352 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -4.167 0.878 13.665 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -3.219 0.994 13.542 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -4.444 0.336 12.883 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -4.261 -0.515 18.505 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -4.539 0.028 17.731 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -5.039 -1.086 18.691 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -2.899 -4.015 14.690 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -3.547 -3.758 15.373 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -3.315 -4.782 14.247 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 0.692 -7.503 19.129 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 0.404 -7.132 18.274 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 0.937 -6.717 19.661 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -1.068 -4.956 20.756 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -0.087 -5.008 20.707 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -1.288 -4.161 20.251 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -3.203 15.025 -0.718 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -3.132 15.921 -1.083 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -3.901 15.099 -0.033 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -7.573 17.408 11.305 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -7.738 16.691 10.655 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -6.661 17.242 11.622 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -7.947 9.691 9.639 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -7.187 10.234 9.963 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -8.122 9.069 10.379 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -8.338 -2.920 8.833 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -9.011 -2.195 8.761 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -8.518 -3.488 8.054 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -10.132 12.357 17.261 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -9.444 11.720 17.013 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -10.765 12.323 16.525 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -5.050 13.987 10.791 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -5.187 14.271 9.861 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -4.352 14.591 11.125 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -8.404 16.923 16.044 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -8.096 17.048 16.972 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -9.358 17.154 16.079 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -3.186 15.824 11.828 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -2.662 15.664 12.622 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -2.798 16.642 11.443 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -6.346 15.927 14.263 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -6.977 16.033 14.997 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -6.500 15.010 13.943 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -5.222 14.940 8.181 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -4.336 15.322 8.006 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -5.625 14.859 7.289 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 -6.427 -2.416 10.719 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 -7.069 -2.432 9.982 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 -6.140 -3.353 10.805 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -3.702 -2.871 7.073 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -4.644 -2.836 6.825 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -3.379 -1.965 6.911 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -5.239 19.192 2.468 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -4.665 18.818 1.772 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -5.442 20.106 2.147 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -5.981 11.947 3.051 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -5.209 11.848 2.453 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -6.623 12.439 2.528 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -4.186 -3.618 20.711 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -4.148 -4.601 20.673 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -3.402 -3.327 20.197 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -4.597 -2.714 23.243 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -4.426 -2.999 22.315 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -4.636 -1.727 23.188 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -2.366 -2.451 19.051 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -2.973 -1.697 18.880 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -1.962 -2.625 18.195 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -7.609 3.161 22.502 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -7.266 3.869 23.052 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -7.517 3.499 21.591 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -6.811 6.247 18.076 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -7.325 6.893 18.605 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -5.959 6.702 17.905 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -3.524 0.951 20.722 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -3.806 0.447 19.924 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -2.562 0.917 20.692 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -7.535 10.741 17.158 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -7.852 10.718 18.090 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -6.969 11.520 17.121 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 -5.846 2.005 19.664 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 -6.222 2.892 19.827 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 -4.997 2.011 20.142 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -7.347 4.353 20.012 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -6.929 4.891 19.306 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -8.267 4.698 20.056 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 -13.374 11.713 17.656 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 -13.044 11.999 16.774 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 -12.729 12.076 18.278 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 -4.928 -4.666 27.239 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 -4.377 -4.724 28.025 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 -4.318 -4.344 26.541 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -8.088 -3.526 21.237 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -7.494 -3.731 21.989 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -8.977 -3.732 21.580 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 -6.191 -2.211 19.529 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 -6.975 -2.641 19.924 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 -5.434 -2.703 19.915 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 3.852 24.900 -5.585 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 4.182 24.056 -5.224 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 4.466 25.571 -5.224 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -9.651 21.624 -10.342 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -10.389 21.368 -10.932 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -9.043 20.859 -10.370 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 -8.058 29.865 -9.791 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 -7.634 30.212 -8.976 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 -7.389 30.023 -10.490 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 3.902 35.456 -11.272 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 2.945 35.620 -11.118 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 3.976 35.366 -12.223 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 1.357 25.619 -4.874 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 2.251 25.317 -5.162 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 1.005 26.076 -5.644 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -6.282 16.575 -7.187 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -6.336 17.062 -6.348 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -6.862 17.089 -7.800 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -5.123 24.196 -11.799 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -4.504 23.564 -12.186 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -5.705 23.643 -11.238 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -10.241 32.497 -9.960 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -9.379 32.530 -10.428 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -10.257 33.334 -9.433 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -9.599 13.521 -5.955 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -10.413 14.052 -5.844 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -9.560 13.348 -6.925 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -5.929 26.839 -11.935 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -5.590 25.913 -11.895 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -6.878 26.749 -11.787 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 0.280 25.384 -2.384 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 0.679 25.262 -3.273 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -0.443 26.022 -2.540 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 0.449 31.930 -6.180 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 0.200 32.865 -6.056 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 1.080 31.752 -5.451 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -1.050 34.228 -10.897 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -0.808 33.285 -10.778 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -0.896 34.621 -10.015 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -6.721 22.315 -10.598 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -7.529 22.637 -11.026 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -6.923 21.375 -10.390 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -0.417 31.776 -9.772 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 0.201 31.417 -9.131 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -1.292 31.686 -9.338 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -3.044 34.383 -6.841 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -3.836 34.012 -7.279 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -2.921 35.257 -7.269 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -10.011 17.003 -7.125 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -9.175 17.108 -7.627 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -9.796 17.342 -6.231 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -1.143 19.757 -6.222 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -1.418 18.846 -6.358 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -1.976 20.270 -6.284 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -3.585 23.500 -5.142 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -4.309 23.900 -4.635 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -3.172 24.245 -5.598 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -4.549 21.347 -8.880 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -5.187 21.921 -9.340 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -4.315 20.671 -9.546 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 0.367 23.890 0.606 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 0.263 23.759 -0.345 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 0.152 23.017 0.996 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -7.863 20.010 -12.755 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -7.686 19.820 -11.807 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -8.724 19.592 -12.921 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 4.678 22.665 -4.150 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 4.036 21.929 -3.986 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 5.466 22.218 -4.478 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -3.621 20.948 -6.325 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -3.964 21.039 -7.247 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -3.642 21.862 -5.973 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -4.049 19.573 -10.998 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -3.652 20.263 -11.578 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -4.894 19.361 -11.429 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -3.418 21.499 -12.848 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -4.288 21.371 -13.300 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -2.798 21.642 -13.568 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 2.262 31.118 -4.279 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 2.275 31.605 -3.426 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 2.153 30.177 -4.014 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -3.534 21.732 -2.926 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -4.300 22.281 -2.668 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -3.085 22.262 -3.608 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -1.021 27.652 -3.392 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -1.031 27.975 -4.316 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -1.469 28.362 -2.888 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 1.638 28.548 -3.557 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 2.304 27.876 -3.355 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 0.786 28.107 -3.360 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -5.025 33.144 -8.442 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -5.745 32.510 -8.255 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -5.366 33.680 -9.194 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -10.013 25.263 -11.904 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -9.628 26.146 -11.742 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -10.595 25.397 -12.680 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -4.092 28.785 -11.552 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -4.711 28.024 -11.686 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -3.267 28.493 -11.955 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -0.621 34.498 -5.404 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -1.561 34.375 -5.650 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -0.542 34.071 -4.519 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -0.200 29.098 -5.636 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 0.615 29.026 -5.110 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -0.181 30.009 -5.980 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 2.067 32.150 -1.766 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 2.609 32.812 -1.292 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 2.259 31.308 -1.301 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 -4.431 29.633 -8.895 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 -3.643 30.185 -8.714 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 -4.260 29.255 -9.782 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 1.225 21.036 -5.796 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 0.402 20.514 -5.941 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 1.135 21.785 -6.391 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 -6.121 17.428 -11.192 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 -6.608 18.082 -10.649 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 -5.275 17.309 -10.725 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 -6.335 30.327 -11.870 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 -5.440 29.984 -11.649 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 -6.560 29.878 -12.696 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 -5.786 21.134 -14.058 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 -6.264 21.538 -14.787 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 -6.489 20.679 -13.535 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 -6.536 30.880 -7.707 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 -6.291 31.116 -6.799 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 -5.777 30.333 -8.030 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 5.402 26.444 -3.866 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 4.928 25.881 -3.221 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 6.220 26.678 -3.420 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 3.942 24.632 -2.390 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 4.248 23.868 -2.930 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 2.978 24.569 -2.417 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 1.704 26.865 -0.545 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 1.026 27.563 -0.438 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 1.258 26.185 -1.095 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 -4.210 19.394 -4.104 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 -3.951 19.700 -5.000 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 -3.945 20.141 -3.518 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 3.003 20.582 -3.816 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 2.379 20.746 -4.564 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 2.602 19.857 -3.330 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 -0.153 21.668 2.323 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 -0.657 21.093 2.918 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 0.715 21.765 2.765 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 -4.147 17.375 -2.138 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 -3.996 18.074 -2.809 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 -4.757 16.754 -2.576 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 0.214 22.425 5.558 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 -0.404 21.743 5.238 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 1.018 22.293 5.007 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 -3.552 18.556 0.307 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 -3.131 19.358 -0.031 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 -3.859 18.087 -0.500 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 -2.001 18.210 2.651 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 -1.927 17.260 2.790 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 -2.521 18.291 1.828 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 -7.884 32.546 -11.410 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 -7.343 33.292 -11.079 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 -7.230 31.832 -11.580 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 2.378 31.669 1.427 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 2.791 32.414 0.931 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 2.499 30.894 0.837 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 -1.107 36.689 -3.439 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 -1.487 37.432 -3.958 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 -0.694 36.119 -4.110 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 -0.022 28.978 -0.424 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 -0.593 29.269 -1.167 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 -0.471 29.331 0.372 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 3.479 32.055 -6.550 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 3.265 31.715 -5.657 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 2.674 31.902 -7.058 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 -9.188 13.304 -11.491 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 -8.372 13.840 -11.351 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 -8.938 12.665 -12.166 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 -3.522 17.002 -10.142 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 -2.685 16.707 -10.514 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 -3.522 17.974 -10.289 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 -6.094 34.598 -10.522 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 -6.197 35.531 -10.241 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 -5.864 34.664 -11.475 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 -7.070 14.896 -10.935 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 -6.448 14.652 -10.221 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 -6.710 15.744 -11.283 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 -4.052 12.334 1.132 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 -4.373 13.250 1.054 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 -3.216 12.334 0.656 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 -0.947 25.215 9.161 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 -1.262 25.560 8.297 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 -0.765 26.016 9.682 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 -5.827 20.206 11.492 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 -6.593 20.605 11.959 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 -5.625 19.396 12.009 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 -2.315 29.528 11.861 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 -1.850 29.057 11.140 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 -3.248 29.502 11.597 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 -2.367 18.240 10.837 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 -2.545 19.171 11.071 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 -1.533 18.277 10.325 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 -6.011 21.891 8.429 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 -5.554 21.275 7.827 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 -5.761 22.764 8.107 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 -5.157 17.665 12.593 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 -4.487 17.040 12.265 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 -5.554 17.202 13.369 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 0.942 29.243 5.974 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 1.254 30.116 5.655 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 1.710 28.673 5.891 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 0.110 25.208 5.315 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 0.179 24.241 5.434 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 0.495 25.368 4.427 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 1.033 25.495 2.702 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 1.147 26.352 2.277 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 0.765 24.893 1.964 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 -4.225 26.688 9.561 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 -4.366 26.215 8.719 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 -4.127 25.980 10.214 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 -1.525 28.814 6.995 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 -1.919 29.714 6.932 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 -0.611 28.930 6.637 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 -3.148 23.708 9.840 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 -2.273 24.143 9.782 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 -3.562 23.894 8.973 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 2.212 21.924 3.763 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 2.930 21.289 3.857 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 2.646 22.717 3.357 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 -1.731 31.468 3.900 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 -1.749 30.912 3.103 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 -0.998 32.095 3.732 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 -11.059 28.580 12.872 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 -11.499 29.418 13.121 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 -10.302 28.865 12.316 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 3.934 31.946 3.659 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 3.360 31.706 2.904 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 3.349 31.866 4.435 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 3.663 33.643 0.078 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 3.817 34.511 -0.313 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 4.434 33.511 0.681 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 5.621 33.282 1.980 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 5.071 32.815 2.651 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 6.503 33.292 2.364 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 -4.720 17.626 9.505 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 -4.253 17.095 8.836 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 -4.011 17.930 10.101 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 -1.243 20.021 4.559 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 -1.112 19.483 5.367 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 -1.405 19.353 3.850 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 -3.312 21.069 10.765 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 -4.226 20.832 11.051 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 -3.353 22.043 10.621 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 -4.143 24.643 7.434 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 -4.388 24.055 6.681 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 -3.388 25.172 7.088 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 -0.547 22.590 8.212 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 -0.179 22.609 7.300 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 -0.502 23.523 8.509 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 -8.279 20.991 12.757 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 -8.282 20.102 13.173 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 -9.125 21.388 13.040 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 -5.871 21.609 1.612 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 -6.792 21.833 1.368 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 -5.447 22.483 1.753 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 -0.325 20.825 10.299 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 -0.220 21.488 9.581 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 -1.084 21.145 10.807 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 -4.797 22.968 5.388 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 -5.340 23.132 4.610 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 -4.448 22.062 5.248 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 -2.814 16.322 7.930 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 -2.386 16.998 7.366 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 -2.089 15.958 8.453 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 -1.767 28.010 9.599 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 -1.605 28.407 8.716 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 -2.636 27.578 9.510 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 1.665 31.807 5.284 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 1.271 32.256 6.041 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 1.236 32.230 4.504 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 -2.327 31.400 6.613 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 -2.540 32.325 6.827 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 -2.169 31.408 5.643 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 -1.964 26.144 6.797 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 -1.224 25.842 6.215 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 -1.882 27.126 6.796 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 2.571 29.770 -0.502 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 1.633 29.479 -0.550 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 3.075 28.946 -0.554 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 -8.059 20.360 16.137 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 -7.531 21.084 15.780 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 -7.942 19.637 15.486 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 -9.864 31.875 13.694 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 -10.675 31.339 13.625 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 -10.178 32.729 14.046 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 0.508 32.846 3.040 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 1.097 32.330 2.446 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 0.424 33.716 2.590 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 -2.525 20.647 8.202 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 -1.885 21.389 8.109 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 -2.851 20.731 9.126 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 -4.056 20.398 4.695 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 -3.090 20.346 4.558 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 -4.434 19.903 3.938 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 3.959 25.439 0.267 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 3.201 26.031 0.100 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 4.174 25.077 -0.613 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 3.384 24.050 2.582 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 3.813 24.405 1.774 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 2.649 24.668 2.747 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 -7.916 18.560 13.905 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 -7.963 17.830 14.558 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 -7.851 18.104 13.041 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 -10.907 21.643 13.756 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 -11.249 22.530 13.976 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 -11.562 21.288 13.115 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 -8.964 22.925 19.341 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 -9.829 23.380 19.237 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 -8.389 23.596 19.713 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 -7.837 35.190 12.350 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 -7.910 35.955 11.761 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 -8.414 35.425 13.121 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 -5.236 31.827 10.895 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 -5.822 31.993 11.667 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 -5.022 30.871 10.956 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 -4.965 29.054 10.967 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 -5.597 28.625 11.555 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 -4.720 28.354 10.326 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 -1.459 30.353 14.336 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 -1.626 29.954 13.458 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 -2.086 31.071 14.390 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 -8.841 16.232 6.489 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 -9.594 15.657 6.224 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 -9.028 17.094 6.044 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 0.087 18.316 9.474 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 0.946 18.015 9.791 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 0.044 19.265 9.758 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 -5.389 14.799 0.903 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 -6.203 14.597 0.425 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 -5.701 15.187 1.753 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 -1.243 18.545 7.024 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 -0.581 18.383 7.726 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 -1.786 19.284 7.377 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 0.677 34.887 1.183 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 1.239 34.573 0.459 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 0.510 35.820 0.964 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 -8.667 20.246 18.823 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 -8.396 20.291 17.882 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 -8.761 21.190 19.090 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 -9.042 18.064 26.246 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 -8.696 17.781 27.094 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 -9.786 17.443 26.069 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 -9.580 20.023 24.418 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 -8.741 20.464 24.273 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 -9.371 19.314 25.067 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 -2.340 41.541 -3.114 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 -2.885 40.886 -3.609 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 -2.879 42.353 -3.123 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 -6.164 43.913 -8.377 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 -6.021 42.956 -8.521 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 -6.681 43.951 -7.548 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 2.229 39.376 -5.250 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 1.984 39.498 -6.194 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 1.388 39.527 -4.766 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 4.169 36.192 -8.612 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 4.609 35.448 -8.155 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 4.229 35.956 -9.563 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 -4.366 39.188 -8.210 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 -4.809 38.477 -7.736 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 -5.015 39.933 -8.187 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 -2.593 41.873 -7.631 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 -2.351 42.820 -7.714 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 -3.391 41.883 -7.058 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 -5.572 45.907 -5.261 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 -5.032 46.020 -6.065 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 -6.072 45.081 -5.426 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 -8.449 41.746 -11.497 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 -7.924 42.462 -11.929 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 -7.811 41.318 -10.874 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 2.975 37.278 -3.574 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 2.786 38.008 -4.201 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 3.533 36.659 -4.099 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 3.311 41.816 -4.668 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 3.098 40.875 -4.861 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 3.795 42.114 -5.449 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 -4.974 41.036 -11.581 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 -5.646 40.751 -10.916 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 -4.123 40.965 -11.102 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 -4.714 42.018 -5.914 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 -4.597 41.246 -5.305 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 -5.307 41.672 -6.629 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 -1.963 44.483 -7.456 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 -1.927 44.450 -6.478 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 -2.738 45.054 -7.647 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 -6.140 37.460 -10.072 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 -6.346 38.420 -10.065 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 -5.184 37.424 -10.288 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 -4.360 45.831 -7.813 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 -4.625 46.540 -8.407 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 -4.938 45.073 -8.072 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 1.934 41.514 -0.986 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 1.472 41.955 -1.722 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 1.920 40.564 -1.227 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 -8.450 44.221 -0.895 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 -7.522 44.363 -0.652 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 -8.408 43.527 -1.585 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 0.922 42.610 -3.478 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 1.693 42.176 -3.903 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 0.949 43.527 -3.828 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 2.114 38.047 -9.027 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 2.873 37.502 -8.730 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 1.798 37.593 -9.826 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 0.981 40.098 -7.593 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 0.053 39.792 -7.487 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 1.376 39.449 -8.224 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 -9.969 37.726 -11.980 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 -9.529 38.499 -12.366 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 -9.452 36.962 -12.327 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 1.038 44.853 -5.044 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 1.621 45.603 -5.209 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 1.103 44.308 -5.864 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 -1.999 38.949 -12.156 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 -2.578 39.230 -12.896 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 -2.124 39.644 -11.474 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 4.266 36.090 -5.656 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 4.053 36.583 -6.464 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 4.685 35.272 -5.984 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 -3.675 39.083 -14.349 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 -4.354 38.394 -14.203 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 -4.196 39.898 -14.483 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 -6.346 46.563 -2.705 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 -6.086 45.733 -2.257 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 -6.014 46.450 -3.627 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 0.017 39.930 -3.780 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 -0.868 39.582 -4.053 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 -0.139 40.883 -3.636 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 -2.717 31.711 -8.328 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 -3.536 32.220 -8.526 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 -2.343 32.160 -7.555 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 -0.616 43.818 -1.433 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 0.148 44.442 -1.403 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 -0.382 43.198 -2.148 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 -2.802 40.517 -10.016 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 -2.524 41.209 -9.385 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 -3.290 39.872 -9.454 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 -1.544 44.022 -4.767 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 -0.651 44.429 -4.814 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 -1.367 43.072 -4.690 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 -5.652 41.048 -14.169 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 -5.386 41.093 -13.216 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 -5.469 41.948 -14.511 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 -7.929 43.590 -15.844 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 -8.598 42.879 -15.687 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 -8.201 43.987 -16.677 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 -7.450 43.709 -13.077 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 -6.491 43.802 -13.172 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 -7.783 43.741 -13.993 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 -0.265 35.328 -8.439 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 -0.991 35.973 -8.292 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 -0.046 35.013 -7.547 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 -1.600 39.351 -7.057 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 -1.881 39.199 -6.130 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 -2.058 40.183 -7.313 1.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1441 1.264 35.931 -10.743 1.00 0.00 WAT1 ATOM 5829 H1 TIP3 1441 0.904 35.735 -9.852 1.00 0.00 WAT1 ATOM 5830 H2 TIP3 1441 0.582 35.601 -11.349 1.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1442 -2.959 35.118 -12.673 1.00 0.00 WAT1 ATOM 5832 H1 TIP3 1442 -2.446 35.648 -13.325 1.00 0.00 WAT1 ATOM 5833 H2 TIP3 1442 -2.269 34.687 -12.119 1.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1443 1.650 38.923 -1.872 1.00 0.00 WAT1 ATOM 5835 H1 TIP3 1443 1.012 39.213 -2.565 1.00 0.00 WAT1 ATOM 5836 H2 TIP3 1443 2.279 38.340 -2.356 1.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1444 -1.608 37.003 -14.116 1.00 0.00 WAT1 ATOM 5838 H1 TIP3 1444 -1.387 37.560 -13.346 1.00 0.00 WAT1 ATOM 5839 H2 TIP3 1444 -2.098 37.598 -14.702 1.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1445 -3.172 44.115 -2.507 1.00 0.00 WAT1 ATOM 5841 H1 TIP3 1445 -2.368 44.193 -1.954 1.00 0.00 WAT1 ATOM 5842 H2 TIP3 1445 -2.863 44.349 -3.407 1.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1446 -9.409 50.328 -3.914 1.00 0.00 WAT1 ATOM 5844 H1 TIP3 1446 -9.247 51.253 -3.722 1.00 0.00 WAT1 ATOM 5845 H2 TIP3 1446 -8.664 49.856 -3.474 1.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1447 -5.345 43.630 -15.077 1.00 0.00 WAT1 ATOM 5847 H1 TIP3 1447 -4.861 44.233 -15.648 1.00 0.00 WAT1 ATOM 5848 H2 TIP3 1447 -6.259 43.634 -15.440 1.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1448 -6.960 43.597 -5.727 1.00 0.00 WAT1 ATOM 5850 H1 TIP3 1448 -6.169 43.024 -5.633 1.00 0.00 WAT1 ATOM 5851 H2 TIP3 1448 -7.664 43.117 -5.228 1.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1449 1.770 45.094 -1.454 1.00 0.00 WAT1 ATOM 5853 H1 TIP3 1449 2.240 45.742 -0.922 1.00 0.00 WAT1 ATOM 5854 H2 TIP3 1449 2.483 44.530 -1.831 1.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1450 0.670 43.046 -7.046 1.00 0.00 WAT1 ATOM 5856 H1 TIP3 1450 -0.135 43.327 -7.514 1.00 0.00 WAT1 ATOM 5857 H2 TIP3 1450 0.784 42.110 -7.306 1.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1451 1.766 38.809 2.250 1.00 0.00 WAT1 ATOM 5859 H1 TIP3 1451 1.607 38.280 3.059 1.00 0.00 WAT1 ATOM 5860 H2 TIP3 1451 1.918 38.148 1.562 1.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1452 3.666 43.312 -2.310 1.00 0.00 WAT1 ATOM 5862 H1 TIP3 1452 3.695 42.794 -3.137 1.00 0.00 WAT1 ATOM 5863 H2 TIP3 1452 3.481 42.651 -1.622 1.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1453 -5.727 44.105 -1.560 1.00 0.00 WAT1 ATOM 5865 H1 TIP3 1453 -4.831 44.060 -1.972 1.00 0.00 WAT1 ATOM 5866 H2 TIP3 1453 -6.262 43.447 -2.072 1.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1454 -1.200 36.408 4.311 1.00 0.00 WAT1 ATOM 5868 H1 TIP3 1454 -0.279 36.716 4.203 1.00 0.00 WAT1 ATOM 5869 H2 TIP3 1454 -1.205 35.985 5.187 1.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1455 -5.388 40.688 -1.987 1.00 0.00 WAT1 ATOM 5871 H1 TIP3 1455 -6.169 41.245 -2.215 1.00 0.00 WAT1 ATOM 5872 H2 TIP3 1455 -5.064 40.364 -2.860 1.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1456 -7.541 47.382 -0.320 1.00 0.00 WAT1 ATOM 5874 H1 TIP3 1456 -7.249 47.034 -1.190 1.00 0.00 WAT1 ATOM 5875 H2 TIP3 1456 -8.441 47.035 -0.215 1.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1457 -2.479 36.866 -8.099 1.00 0.00 WAT1 ATOM 5877 H1 TIP3 1457 -2.905 37.018 -8.971 1.00 0.00 WAT1 ATOM 5878 H2 TIP3 1457 -2.215 37.767 -7.804 1.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1458 5.207 34.019 -7.193 1.00 0.00 WAT1 ATOM 5880 H1 TIP3 1458 5.994 33.512 -7.415 1.00 0.00 WAT1 ATOM 5881 H2 TIP3 1458 4.534 33.331 -6.965 1.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1459 -5.679 35.092 -13.140 1.00 0.00 WAT1 ATOM 5883 H1 TIP3 1459 -5.755 36.022 -13.451 1.00 0.00 WAT1 ATOM 5884 H2 TIP3 1459 -4.708 34.929 -13.111 1.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1460 -3.436 37.054 -10.744 1.00 0.00 WAT1 ATOM 5886 H1 TIP3 1460 -3.338 36.264 -11.315 1.00 0.00 WAT1 ATOM 5887 H2 TIP3 1460 -2.895 37.740 -11.192 1.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1461 -0.006 33.534 -2.936 1.00 0.00 WAT1 ATOM 5889 H1 TIP3 1461 0.548 32.807 -2.592 1.00 0.00 WAT1 ATOM 5890 H2 TIP3 1461 0.375 34.333 -2.518 1.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1462 -4.825 36.160 7.638 1.00 0.00 WAT1 ATOM 5892 H1 TIP3 1462 -4.586 37.046 7.269 1.00 0.00 WAT1 ATOM 5893 H2 TIP3 1462 -4.894 36.311 8.608 1.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1463 -5.094 35.788 10.337 1.00 0.00 WAT1 ATOM 5895 H1 TIP3 1463 -5.592 35.561 11.129 1.00 0.00 WAT1 ATOM 5896 H2 TIP3 1463 -4.433 35.069 10.255 1.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1464 -10.640 37.667 9.137 1.00 0.00 WAT1 ATOM 5898 H1 TIP3 1464 -9.813 37.132 9.108 1.00 0.00 WAT1 ATOM 5899 H2 TIP3 1464 -10.326 38.587 9.287 1.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1465 -7.533 40.625 8.681 1.00 0.00 WAT1 ATOM 5901 H1 TIP3 1465 -7.015 40.811 9.467 1.00 0.00 WAT1 ATOM 5902 H2 TIP3 1465 -8.456 40.540 9.015 1.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1466 -5.318 46.677 1.134 1.00 0.00 WAT1 ATOM 5904 H1 TIP3 1466 -4.835 47.498 1.256 1.00 0.00 WAT1 ATOM 5905 H2 TIP3 1466 -6.144 46.951 0.676 1.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1467 -8.579 35.965 9.095 1.00 0.00 WAT1 ATOM 5907 H1 TIP3 1467 -8.098 35.717 8.281 1.00 0.00 WAT1 ATOM 5908 H2 TIP3 1467 -8.767 35.110 9.533 1.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1468 1.136 41.391 1.722 1.00 0.00 WAT1 ATOM 5910 H1 TIP3 1468 1.577 41.556 0.861 1.00 0.00 WAT1 ATOM 5911 H2 TIP3 1468 1.443 40.489 1.977 1.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1469 -3.296 39.708 4.066 1.00 0.00 WAT1 ATOM 5913 H1 TIP3 1469 -2.392 40.078 4.050 1.00 0.00 WAT1 ATOM 5914 H2 TIP3 1469 -3.874 40.492 4.116 1.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1470 -7.278 32.455 12.772 1.00 0.00 WAT1 ATOM 5916 H1 TIP3 1470 -8.078 32.194 13.273 1.00 0.00 WAT1 ATOM 5917 H2 TIP3 1470 -7.279 33.430 12.814 1.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1471 -4.442 38.489 6.307 1.00 0.00 WAT1 ATOM 5919 H1 TIP3 1471 -3.895 38.823 5.569 1.00 0.00 WAT1 ATOM 5920 H2 TIP3 1471 -5.242 39.050 6.283 1.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1472 -0.915 34.893 9.589 1.00 0.00 WAT1 ATOM 5922 H1 TIP3 1472 -0.435 34.564 10.355 1.00 0.00 WAT1 ATOM 5923 H2 TIP3 1472 -1.828 34.556 9.716 1.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1473 -3.485 37.191 3.023 1.00 0.00 WAT1 ATOM 5925 H1 TIP3 1473 -3.525 38.101 3.399 1.00 0.00 WAT1 ATOM 5926 H2 TIP3 1473 -2.685 36.796 3.445 1.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1474 -5.217 40.684 0.724 1.00 0.00 WAT1 ATOM 5928 H1 TIP3 1474 -5.515 40.583 -0.213 1.00 0.00 WAT1 ATOM 5929 H2 TIP3 1474 -4.445 41.283 0.658 1.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1475 0.487 37.468 0.076 1.00 0.00 WAT1 ATOM 5931 H1 TIP3 1475 -0.152 38.021 0.544 1.00 0.00 WAT1 ATOM 5932 H2 TIP3 1475 0.940 38.091 -0.541 1.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1476 -6.859 39.035 2.590 1.00 0.00 WAT1 ATOM 5934 H1 TIP3 1476 -6.285 39.439 1.918 1.00 0.00 WAT1 ATOM 5935 H2 TIP3 1476 -7.568 39.703 2.732 1.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1477 -3.011 42.741 2.958 1.00 0.00 WAT1 ATOM 5937 H1 TIP3 1477 -3.803 43.114 2.527 1.00 0.00 WAT1 ATOM 5938 H2 TIP3 1477 -2.285 42.943 2.329 1.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1478 1.430 37.377 4.555 1.00 0.00 WAT1 ATOM 5940 H1 TIP3 1478 2.253 37.057 4.942 1.00 0.00 WAT1 ATOM 5941 H2 TIP3 1478 1.285 38.257 4.986 1.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1479 1.085 39.862 5.495 1.00 0.00 WAT1 ATOM 5943 H1 TIP3 1479 1.619 40.611 5.775 1.00 0.00 WAT1 ATOM 5944 H2 TIP3 1479 0.333 40.269 5.013 1.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1480 -0.692 35.668 6.997 1.00 0.00 WAT1 ATOM 5946 H1 TIP3 1480 -0.697 35.378 7.942 1.00 0.00 WAT1 ATOM 5947 H2 TIP3 1480 -0.218 36.507 7.012 1.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1481 -3.017 34.152 7.088 1.00 0.00 WAT1 ATOM 5949 H1 TIP3 1481 -3.615 34.911 7.276 1.00 0.00 WAT1 ATOM 5950 H2 TIP3 1481 -2.161 34.575 6.868 1.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1482 -7.290 35.474 6.697 1.00 0.00 WAT1 ATOM 5952 H1 TIP3 1482 -6.934 34.684 6.230 1.00 0.00 WAT1 ATOM 5953 H2 TIP3 1482 -6.490 35.885 7.098 1.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1483 -0.977 43.019 1.172 1.00 0.00 WAT1 ATOM 5955 H1 TIP3 1483 -0.801 43.509 0.340 1.00 0.00 WAT1 ATOM 5956 H2 TIP3 1483 -0.131 42.548 1.357 1.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1484 -2.781 41.563 -0.324 1.00 0.00 WAT1 ATOM 5958 H1 TIP3 1484 -2.553 41.878 -1.220 1.00 0.00 WAT1 ATOM 5959 H2 TIP3 1484 -2.179 42.061 0.265 1.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1485 -4.832 44.018 1.165 1.00 0.00 WAT1 ATOM 5961 H1 TIP3 1485 -4.923 44.991 1.295 1.00 0.00 WAT1 ATOM 5962 H2 TIP3 1485 -5.038 43.889 0.219 1.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1486 -13.617 39.321 9.529 1.00 0.00 WAT1 ATOM 5964 H1 TIP3 1486 -13.022 39.457 10.292 1.00 0.00 WAT1 ATOM 5965 H2 TIP3 1486 -14.204 38.582 9.812 1.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1487 1.462 35.535 -1.659 1.00 0.00 WAT1 ATOM 5967 H1 TIP3 1487 1.986 36.025 -2.322 1.00 0.00 WAT1 ATOM 5968 H2 TIP3 1487 0.972 36.230 -1.181 1.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1488 -5.887 36.117 4.079 1.00 0.00 WAT1 ATOM 5970 H1 TIP3 1488 -5.067 36.477 3.680 1.00 0.00 WAT1 ATOM 5971 H2 TIP3 1488 -5.594 35.315 4.548 1.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1489 -10.067 40.299 9.676 1.00 0.00 WAT1 ATOM 5973 H1 TIP3 1489 -10.595 40.209 10.496 1.00 0.00 WAT1 ATOM 5974 H2 TIP3 1489 -10.665 40.792 9.061 1.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1490 -9.678 35.885 14.210 1.00 0.00 WAT1 ATOM 5976 H1 TIP3 1490 -10.320 35.182 14.431 1.00 0.00 WAT1 ATOM 5977 H2 TIP3 1490 -10.196 36.709 14.280 1.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1491 -3.393 33.676 9.855 1.00 0.00 WAT1 ATOM 5979 H1 TIP3 1491 -3.321 33.478 8.902 1.00 0.00 WAT1 ATOM 5980 H2 TIP3 1491 -3.925 32.931 10.217 1.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1492 -0.787 41.133 3.851 1.00 0.00 WAT1 ATOM 5982 H1 TIP3 1492 -1.463 41.825 3.707 1.00 0.00 WAT1 ATOM 5983 H2 TIP3 1492 -0.149 41.268 3.122 1.00 0.00 WAT1 END