REMARK FILENAME="/farm/data/gliu/projects/HR4527/cns/calc12_modhb/refinedPDB_" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -317.824, 62.3271, 96.5653, 52.3067, 416.89, -321.578, -627.368, 2.95452, 7.74222E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 6.551718E-03,0.490801,1.41754,42.2795,4.784669E-03,0.122999 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 40, 4 REMARK =============================================================== REMARK DATE:03-Sep-2010 14:08:21 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 3.428 -13.925 7.959 1.00 13.22 ATOM 2 CB MET 1 5.233 -13.149 8.820 1.00 42.11 ATOM 3 HB1 MET 1 4.947 -13.431 9.825 1.00 38.14 ATOM 4 HB2 MET 1 4.929 -12.126 8.649 1.00 22.43 ATOM 5 CG MET 1 6.751 -13.215 8.723 1.00 62.31 ATOM 6 HG1 MET 1 7.045 -12.973 7.712 1.00 38.14 ATOM 7 HG2 MET 1 7.070 -14.221 8.958 1.00 23.32 ATOM 8 SD MET 1 7.569 -12.070 9.853 1.00 5.53 ATOM 9 CE MET 1 9.288 -12.313 9.406 1.00 44.22 ATOM 10 HE1 MET 1 9.424 -12.083 8.359 1.00 54.33 ATOM 11 HE2 MET 1 9.566 -13.341 9.587 1.00 21.53 ATOM 12 HE3 MET 1 9.909 -11.662 10.002 1.00 63.24 ATOM 13 C MET 1 4.853 -13.664 6.384 1.00 34.03 ATOM 14 O MET 1 4.149 -12.873 5.758 1.00 31.54 ATOM 15 N MET 1 4.801 -15.491 8.100 1.00 55.20 ATOM 16 HT1 MET 1 4.545 -15.732 9.080 1.00 38.14 ATOM 17 HT2 MET 1 5.812 -15.680 7.967 1.00 38.14 ATOM 18 HT3 MET 1 4.261 -16.106 7.455 1.00 38.14 ATOM 19 CA MET 1 4.493 -14.060 7.826 1.00 65.23 ATOM 20 N GLY 2 5.950 -14.213 5.855 1.00 0.33 ATOM 21 HN GLY 2 6.476 -14.855 6.381 1.00 38.14 ATOM 22 CA GLY 2 6.387 -13.865 4.505 1.00 64.03 ATOM 23 HA1 GLY 2 7.433 -14.118 4.409 1.00 38.14 ATOM 24 HA2 GLY 2 6.278 -12.798 4.368 1.00 43.11 ATOM 25 C GLY 2 5.603 -14.583 3.407 1.00 12.50 ATOM 26 O GLY 2 6.158 -15.401 2.672 1.00 53.32 ATOM 27 N HIS 3 4.310 -14.279 3.295 1.00 53.11 ATOM 28 HN HIS 3 3.913 -13.648 3.936 1.00 38.14 ATOM 29 CA HIS 3 3.462 -14.861 2.247 1.00 34.52 ATOM 30 HA HIS 3 3.819 -15.863 2.049 1.00 53.25 ATOM 31 CB HIS 3 2.006 -14.939 2.729 1.00 71.01 ATOM 32 HB1 HIS 3 1.674 -13.952 3.022 1.00 38.14 ATOM 33 HB2 HIS 3 1.952 -15.597 3.584 1.00 33.40 ATOM 34 CG HIS 3 1.058 -15.458 1.691 1.00 34.25 ATOM 35 ND1 HIS 3 0.270 -14.638 0.913 1.00 25.14 ATOM 36 HD1 HIS 3 0.238 -13.659 0.959 1.00 72.42 ATOM 37 CD2 HIS 3 0.777 -16.723 1.297 1.00 70.23 ATOM 38 HD2 HIS 3 1.213 -17.630 1.693 1.00 63.02 ATOM 39 CE1 HIS 3 -0.450 -15.372 0.091 1.00 74.11 ATOM 40 HE1 HIS 3 -1.156 -14.998 -0.634 1.00 62.31 ATOM 41 NE2 HIS 3 -0.163 -16.638 0.302 1.00 32.41 ATOM 42 HE2 HIS 3 -0.423 -17.373 -0.290 1.00 38.14 ATOM 43 C HIS 3 3.543 -14.042 0.949 1.00 33.04 ATOM 44 O HIS 3 3.618 -14.595 -0.151 1.00 74.53 ATOM 45 N HIS 4 3.518 -12.720 1.085 1.00 71.04 ATOM 46 HN HIS 4 3.453 -12.336 1.986 1.00 38.14 ATOM 47 CA HIS 4 3.589 -11.823 -0.067 1.00 12.30 ATOM 48 HA HIS 4 2.998 -12.258 -0.861 1.00 4.21 ATOM 49 CB HIS 4 3.001 -10.449 0.288 1.00 32.05 ATOM 50 HB1 HIS 4 3.560 -10.026 1.110 1.00 38.14 ATOM 51 HB2 HIS 4 1.971 -10.573 0.588 1.00 5.42 ATOM 52 CG HIS 4 3.034 -9.467 -0.849 1.00 4.34 ATOM 53 ND1 HIS 4 2.069 -9.425 -1.831 1.00 73.52 ATOM 54 HD1 HIS 4 1.279 -10.009 -1.885 1.00 20.34 ATOM 55 CD2 HIS 4 3.925 -8.494 -1.165 1.00 31.31 ATOM 56 HD2 HIS 4 4.820 -8.239 -0.613 1.00 32.14 ATOM 57 CE1 HIS 4 2.362 -8.478 -2.697 1.00 13.33 ATOM 58 HE1 HIS 4 1.782 -8.221 -3.571 1.00 42.35 ATOM 59 NE2 HIS 4 3.479 -7.898 -2.318 1.00 32.21 ATOM 60 HE2 HIS 4 3.997 -7.269 -2.869 1.00 38.14 ATOM 61 C HIS 4 5.033 -11.667 -0.565 1.00 4.10 ATOM 62 O HIS 4 5.812 -10.889 -0.013 1.00 45.31 ATOM 63 N HIS 5 5.387 -12.422 -1.599 1.00 43.14 ATOM 64 HN HIS 5 4.755 -13.089 -1.940 1.00 38.14 ATOM 65 CA HIS 5 6.701 -12.279 -2.234 1.00 52.52 ATOM 66 HA HIS 5 7.450 -12.339 -1.454 1.00 71.31 ATOM 67 CB HIS 5 6.935 -13.416 -3.236 1.00 22.13 ATOM 68 HB1 HIS 5 7.848 -13.224 -3.782 1.00 38.14 ATOM 69 HB2 HIS 5 6.107 -13.455 -3.928 1.00 31.43 ATOM 70 CG HIS 5 7.059 -14.763 -2.584 1.00 31.34 ATOM 71 ND1 HIS 5 8.209 -15.520 -2.624 1.00 71.03 ATOM 72 HD1 HIS 5 9.040 -15.277 -3.087 1.00 20.24 ATOM 73 CD2 HIS 5 6.167 -15.487 -1.864 1.00 13.01 ATOM 74 HD2 HIS 5 5.151 -15.204 -1.630 1.00 33.45 ATOM 75 CE1 HIS 5 8.022 -16.643 -1.959 1.00 52.13 ATOM 76 HE1 HIS 5 8.753 -17.427 -1.825 1.00 65.21 ATOM 77 NE2 HIS 5 6.793 -16.647 -1.488 1.00 22.31 ATOM 78 HE2 HIS 5 6.453 -17.281 -0.820 1.00 38.14 ATOM 79 C HIS 5 6.814 -10.906 -2.919 1.00 2.24 ATOM 80 O HIS 5 5.952 -10.528 -3.715 1.00 0.31 ATOM 81 N HIS 6 7.882 -10.172 -2.613 1.00 71.50 ATOM 82 HN HIS 6 8.625 -10.598 -2.131 1.00 38.14 ATOM 83 CA HIS 6 7.985 -8.752 -2.981 1.00 75.41 ATOM 84 HA HIS 6 6.993 -8.330 -2.905 1.00 14.34 ATOM 85 CB HIS 6 8.898 -8.024 -1.977 1.00 42.51 ATOM 86 HB1 HIS 6 9.930 -8.223 -2.231 1.00 38.14 ATOM 87 HB2 HIS 6 8.701 -8.400 -0.985 1.00 44.41 ATOM 88 CG HIS 6 8.709 -6.532 -1.947 1.00 70.11 ATOM 89 ND1 HIS 6 9.729 -5.645 -1.675 1.00 52.34 ATOM 90 HD1 HIS 6 10.666 -5.881 -1.509 1.00 13.45 ATOM 91 CD2 HIS 6 7.597 -5.774 -2.117 1.00 53.11 ATOM 92 HD2 HIS 6 6.604 -6.134 -2.351 1.00 63.11 ATOM 93 CE1 HIS 6 9.256 -4.417 -1.677 1.00 63.43 ATOM 94 HE1 HIS 6 9.828 -3.519 -1.495 1.00 64.41 ATOM 95 NE2 HIS 6 7.968 -4.465 -1.942 1.00 55.04 ATOM 96 HE2 HIS 6 7.346 -3.714 -1.832 1.00 38.14 ATOM 97 C HIS 6 8.485 -8.539 -4.427 1.00 72.25 ATOM 98 O HIS 6 9.514 -7.900 -4.655 1.00 40.33 ATOM 99 N HIS 7 7.753 -9.099 -5.397 1.00 61.13 ATOM 100 HN HIS 7 7.031 -9.708 -5.143 1.00 38.14 ATOM 101 CA HIS 7 7.973 -8.827 -6.832 1.00 52.33 ATOM 102 HA HIS 7 7.206 -9.358 -7.377 1.00 52.51 ATOM 103 CB HIS 7 7.794 -7.319 -7.092 1.00 50.41 ATOM 104 HB1 HIS 7 8.599 -6.781 -6.610 1.00 38.14 ATOM 105 HB2 HIS 7 6.856 -6.999 -6.665 1.00 23.42 ATOM 106 CG HIS 7 7.787 -6.936 -8.543 1.00 72.23 ATOM 107 ND1 HIS 7 8.665 -6.022 -9.087 1.00 73.44 ATOM 108 HD1 HIS 7 9.365 -5.536 -8.600 1.00 73.10 ATOM 109 CD2 HIS 7 6.990 -7.335 -9.562 1.00 43.04 ATOM 110 HD2 HIS 7 6.178 -8.046 -9.502 1.00 64.41 ATOM 111 CE1 HIS 7 8.409 -5.878 -10.371 1.00 12.31 ATOM 112 HE1 HIS 7 8.939 -5.229 -11.051 1.00 31.33 ATOM 113 NE2 HIS 7 7.401 -6.662 -10.685 1.00 34.31 ATOM 114 HE2 HIS 7 6.925 -6.647 -11.544 1.00 38.14 ATOM 115 C HIS 7 9.350 -9.310 -7.353 1.00 61.34 ATOM 116 O HIS 7 9.641 -9.197 -8.545 1.00 43.03 ATOM 117 N HIS 8 10.177 -9.873 -6.477 1.00 25.45 ATOM 118 HN HIS 8 9.860 -10.033 -5.563 1.00 38.14 ATOM 119 CA HIS 8 11.548 -10.272 -6.835 1.00 61.31 ATOM 120 HA HIS 8 11.871 -9.648 -7.657 1.00 51.25 ATOM 121 CB HIS 8 12.477 -10.026 -5.632 1.00 31.01 ATOM 122 HB1 HIS 8 12.119 -10.604 -4.790 1.00 38.14 ATOM 123 HB2 HIS 8 12.443 -8.978 -5.374 1.00 54.32 ATOM 124 CG HIS 8 13.918 -10.390 -5.862 1.00 25.04 ATOM 125 ND1 HIS 8 14.851 -9.501 -6.344 1.00 12.32 ATOM 126 HD1 HIS 8 14.677 -8.568 -6.593 1.00 64.44 ATOM 127 CD2 HIS 8 14.590 -11.551 -5.655 1.00 52.41 ATOM 128 HD2 HIS 8 14.175 -12.476 -5.277 1.00 32.03 ATOM 129 CE1 HIS 8 16.026 -10.093 -6.426 1.00 5.35 ATOM 130 HE1 HIS 8 16.940 -9.634 -6.769 1.00 30.41 ATOM 131 NE2 HIS 8 15.895 -11.334 -6.014 1.00 22.41 ATOM 132 HE2 HIS 8 16.567 -12.038 -6.147 1.00 38.14 ATOM 133 C HIS 8 11.620 -11.750 -7.276 1.00 60.11 ATOM 134 O HIS 8 10.830 -12.581 -6.825 1.00 71.33 ATOM 135 N SER 9 12.574 -12.057 -8.163 1.00 25.51 ATOM 136 HN SER 9 13.128 -11.331 -8.524 1.00 38.14 ATOM 137 CA SER 9 12.836 -13.438 -8.625 1.00 43.24 ATOM 138 HA SER 9 13.735 -13.406 -9.223 1.00 31.30 ATOM 139 CB SER 9 13.084 -14.379 -7.430 1.00 73.42 ATOM 140 HB1 SER 9 12.182 -14.453 -6.839 1.00 38.14 ATOM 141 HB2 SER 9 13.881 -13.981 -6.820 1.00 43.41 ATOM 142 OG SER 9 13.454 -15.682 -7.865 1.00 62.34 ATOM 143 HG SER 9 12.666 -16.148 -8.177 1.00 20.41 ATOM 144 C SER 9 11.702 -13.990 -9.506 1.00 40.12 ATOM 145 O SER 9 11.361 -15.174 -9.436 1.00 10.24 ATOM 146 N HIS 10 11.148 -13.143 -10.370 1.00 11.04 ATOM 147 HN HIS 10 11.490 -12.227 -10.425 1.00 38.14 ATOM 148 CA HIS 10 10.061 -13.563 -11.262 1.00 71.31 ATOM 149 HA HIS 10 9.579 -14.413 -10.799 1.00 64.53 ATOM 150 CB HIS 10 9.013 -12.441 -11.415 1.00 3.33 ATOM 151 HB1 HIS 10 8.539 -12.276 -10.458 1.00 38.14 ATOM 152 HB2 HIS 10 8.264 -12.758 -12.124 1.00 43.10 ATOM 153 CG HIS 10 9.557 -11.123 -11.889 1.00 54.12 ATOM 154 ND1 HIS 10 10.014 -10.143 -11.034 1.00 45.00 ATOM 155 HD1 HIS 10 10.045 -10.202 -10.057 1.00 54.52 ATOM 156 CD2 HIS 10 9.698 -10.616 -13.137 1.00 14.51 ATOM 157 HD2 HIS 10 9.447 -11.115 -14.062 1.00 52.52 ATOM 158 CE1 HIS 10 10.405 -9.097 -11.732 1.00 64.43 ATOM 159 HE1 HIS 10 10.810 -8.182 -11.325 1.00 35.42 ATOM 160 NE2 HIS 10 10.227 -9.356 -13.009 1.00 22.01 ATOM 161 HE2 HIS 10 10.630 -8.841 -13.739 1.00 38.14 ATOM 162 C HIS 10 10.598 -14.019 -12.635 1.00 0.13 ATOM 163 O HIS 10 10.515 -13.293 -13.625 1.00 63.33 ATOM 164 N MET 11 11.161 -15.226 -12.682 1.00 21.33 ATOM 165 HN MET 11 11.224 -15.755 -11.859 1.00 38.14 ATOM 166 CA MET 11 11.691 -15.783 -13.934 1.00 55.31 ATOM 167 HA MET 11 12.317 -15.026 -14.389 1.00 63.43 ATOM 168 CB MET 11 12.544 -17.033 -13.649 1.00 23.34 ATOM 169 HB1 MET 11 11.893 -17.825 -13.306 1.00 38.14 ATOM 170 HB2 MET 11 13.248 -16.799 -12.865 1.00 70.13 ATOM 171 CG MET 11 13.328 -17.551 -14.856 1.00 15.03 ATOM 172 HG1 MET 11 14.033 -18.296 -14.515 1.00 38.14 ATOM 173 HG2 MET 11 13.869 -16.728 -15.299 1.00 2.42 ATOM 174 SD MET 11 12.280 -18.294 -16.124 1.00 74.50 ATOM 175 CE MET 11 11.682 -19.749 -15.264 1.00 43.12 ATOM 176 HE1 MET 11 12.519 -20.368 -14.977 1.00 12.32 ATOM 177 HE2 MET 11 11.028 -20.310 -15.916 1.00 45.24 ATOM 178 HE3 MET 11 11.139 -19.447 -14.381 1.00 71.44 ATOM 179 C MET 11 10.544 -16.114 -14.900 1.00 31.34 ATOM 180 O MET 11 9.814 -17.089 -14.712 1.00 21.41 ATOM 181 N LEU 12 10.379 -15.275 -15.921 1.00 72.21 ATOM 182 HN LEU 12 11.019 -14.545 -16.040 1.00 38.14 ATOM 183 CA LEU 12 9.274 -15.416 -16.875 1.00 24.42 ATOM 184 HA LEU 12 8.846 -16.400 -16.745 1.00 3.14 ATOM 185 CB LEU 12 8.189 -14.363 -16.590 1.00 74.11 ATOM 186 HB1 LEU 12 7.412 -14.470 -17.336 1.00 38.14 ATOM 187 HB2 LEU 12 8.632 -13.382 -16.696 1.00 61.40 ATOM 188 CG LEU 12 7.534 -14.452 -15.200 1.00 1.11 ATOM 189 HG LEU 12 8.307 -14.447 -14.445 1.00 63.21 ATOM 190 CD1 LEU 12 6.628 -13.250 -14.946 1.00 41.41 ATOM 191 HD11 LEU 12 7.214 -12.343 -14.989 1.00 51.03 ATOM 192 HD12 LEU 12 6.177 -13.339 -13.968 1.00 51.53 ATOM 193 HD13 LEU 12 5.853 -13.214 -15.698 1.00 2.25 ATOM 194 CD2 LEU 12 6.750 -15.755 -15.059 1.00 61.01 ATOM 195 HD21 LEU 12 5.977 -15.798 -15.815 1.00 51.31 ATOM 196 HD22 LEU 12 6.297 -15.799 -14.079 1.00 34.35 ATOM 197 HD23 LEU 12 7.419 -16.595 -15.183 1.00 13.34 ATOM 198 C LEU 12 9.755 -15.280 -18.328 1.00 42.31 ATOM 199 O LEU 12 10.826 -14.740 -18.599 1.00 73.30 ATOM 200 N THR 13 8.923 -15.742 -19.257 1.00 13.23 ATOM 201 HN THR 13 8.060 -16.110 -18.972 1.00 38.14 ATOM 202 CA THR 13 9.243 -15.730 -20.696 1.00 72.12 ATOM 203 HA THR 13 10.302 -15.914 -20.821 1.00 4.23 ATOM 204 CB THR 13 8.459 -16.843 -21.426 1.00 14.34 ATOM 205 HB THR 13 8.702 -16.808 -22.482 1.00 12.22 ATOM 206 OG1 THR 13 7.048 -16.617 -21.263 1.00 31.22 ATOM 207 HG1 THR 13 6.553 -17.316 -21.719 1.00 4.53 ATOM 208 CG2 THR 13 8.819 -18.216 -20.887 1.00 11.34 ATOM 209 HG21 THR 13 9.863 -18.414 -21.075 1.00 53.42 ATOM 210 HG22 THR 13 8.217 -18.967 -21.379 1.00 52.54 ATOM 211 HG23 THR 13 8.634 -18.247 -19.823 1.00 34.31 ATOM 212 C THR 13 8.866 -14.403 -21.366 1.00 54.03 ATOM 213 O THR 13 8.677 -14.363 -22.580 1.00 24.23 ATOM 214 N LYS 14 8.741 -13.327 -20.581 1.00 51.34 ATOM 215 HN LYS 14 9.037 -13.388 -19.648 1.00 38.14 ATOM 216 CA LYS 14 8.197 -12.043 -21.073 1.00 52.02 ATOM 217 HA LYS 14 8.382 -11.305 -20.303 1.00 63.32 ATOM 218 CB LYS 14 8.910 -11.591 -22.369 1.00 70.02 ATOM 219 HB1 LYS 14 8.808 -12.371 -23.110 1.00 38.14 ATOM 220 HB2 LYS 14 9.961 -11.454 -22.156 1.00 61.22 ATOM 221 CG LYS 14 8.374 -10.290 -22.972 1.00 74.14 ATOM 222 HG1 LYS 14 7.315 -10.402 -23.155 1.00 38.14 ATOM 223 HG2 LYS 14 8.881 -10.105 -23.909 1.00 21.52 ATOM 224 CD LYS 14 8.594 -9.092 -22.051 1.00 23.12 ATOM 225 HD1 LYS 14 8.102 -9.281 -21.107 1.00 38.14 ATOM 226 HD2 LYS 14 8.164 -8.213 -22.511 1.00 12.30 ATOM 227 CE LYS 14 10.074 -8.838 -21.795 1.00 22.44 ATOM 228 HE1 LYS 14 10.562 -8.640 -22.738 1.00 38.14 ATOM 229 HE2 LYS 14 10.509 -9.719 -21.345 1.00 72.43 ATOM 230 NZ LYS 14 10.285 -7.680 -20.890 1.00 20.35 ATOM 231 HZ1 LYS 14 9.793 -7.838 -19.988 1.00 34.25 ATOM 232 HZ2 LYS 14 9.914 -6.813 -21.327 1.00 60.05 ATOM 233 HZ3 LYS 14 11.298 -7.555 -20.701 1.00 11.31 ATOM 234 C LYS 14 6.671 -12.131 -21.293 1.00 3.14 ATOM 235 O LYS 14 5.955 -11.139 -21.140 1.00 43.34 ATOM 236 N HIS 15 6.177 -13.325 -21.639 1.00 31.11 ATOM 237 HN HIS 15 6.794 -14.068 -21.783 1.00 38.14 ATOM 238 CA HIS 15 4.740 -13.558 -21.823 1.00 45.34 ATOM 239 HA HIS 15 4.340 -12.719 -22.373 1.00 15.21 ATOM 240 CB HIS 15 4.515 -14.835 -22.642 1.00 63.23 ATOM 241 HB1 HIS 15 3.456 -14.950 -22.834 1.00 38.14 ATOM 242 HB2 HIS 15 4.866 -15.685 -22.075 1.00 65.42 ATOM 243 CG HIS 15 5.230 -14.835 -23.962 1.00 21.52 ATOM 244 ND1 HIS 15 4.698 -14.292 -25.112 1.00 1.04 ATOM 245 HD1 HIS 15 3.814 -13.872 -25.195 1.00 14.35 ATOM 246 CD2 HIS 15 6.452 -15.307 -24.309 1.00 74.52 ATOM 247 HD2 HIS 15 7.158 -15.795 -23.654 1.00 34.34 ATOM 248 CE1 HIS 15 5.555 -14.432 -26.103 1.00 5.12 ATOM 249 HE1 HIS 15 5.404 -14.102 -27.120 1.00 15.22 ATOM 250 NE2 HIS 15 6.625 -15.042 -25.643 1.00 22.21 ATOM 251 HE2 HIS 15 7.404 -15.305 -26.181 1.00 38.14 ATOM 252 C HIS 15 4.009 -13.661 -20.469 1.00 42.30 ATOM 253 O HIS 15 2.778 -13.673 -20.415 1.00 62.05 ATOM 254 N GLY 16 4.782 -13.782 -19.386 1.00 11.12 ATOM 255 HN GLY 16 5.745 -13.889 -19.506 1.00 38.14 ATOM 256 CA GLY 16 4.223 -13.742 -18.034 1.00 13.34 ATOM 257 HA1 GLY 16 3.486 -12.951 -17.990 1.00 38.14 ATOM 258 HA2 GLY 16 5.019 -13.500 -17.347 1.00 32.03 ATOM 259 C GLY 16 3.565 -15.042 -17.564 1.00 32.54 ATOM 260 O GLY 16 3.636 -15.384 -16.385 1.00 14.12 ATOM 261 N LYS 17 2.941 -15.779 -18.480 1.00 12.31 ATOM 262 HN LYS 17 3.011 -15.522 -19.423 1.00 38.14 ATOM 263 CA LYS 17 2.130 -16.954 -18.119 1.00 62.13 ATOM 264 HA LYS 17 1.585 -16.704 -17.219 1.00 24.22 ATOM 265 CB LYS 17 1.114 -17.232 -19.237 1.00 42.11 ATOM 266 HB1 LYS 17 0.528 -18.101 -18.970 1.00 38.14 ATOM 267 HB2 LYS 17 1.650 -17.440 -20.152 1.00 74.15 ATOM 268 CG LYS 17 0.156 -16.071 -19.494 1.00 41.32 ATOM 269 HG1 LYS 17 -0.545 -16.359 -20.267 1.00 38.14 ATOM 270 HG2 LYS 17 0.725 -15.214 -19.825 1.00 41.33 ATOM 271 CD LYS 17 -0.622 -15.690 -18.234 1.00 64.10 ATOM 272 HD1 LYS 17 0.080 -15.411 -17.460 1.00 38.14 ATOM 273 HD2 LYS 17 -1.197 -16.544 -17.906 1.00 43.03 ATOM 274 CE LYS 17 -1.573 -14.523 -18.481 1.00 25.01 ATOM 275 HE1 LYS 17 -1.003 -13.683 -18.854 1.00 38.14 ATOM 276 HE2 LYS 17 -2.039 -14.251 -17.545 1.00 31.43 ATOM 277 NZ LYS 17 -2.634 -14.861 -19.464 1.00 20.42 ATOM 278 HZ1 LYS 17 -2.210 -15.202 -20.346 1.00 63.12 ATOM 279 HZ2 LYS 17 -3.208 -14.020 -19.675 1.00 34.32 ATOM 280 HZ3 LYS 17 -3.258 -15.603 -19.084 1.00 13.43 ATOM 281 C LYS 17 2.966 -18.223 -17.830 1.00 32.44 ATOM 282 O LYS 17 2.425 -19.333 -17.851 1.00 72.23 ATOM 283 N ASN 18 4.259 -18.048 -17.524 1.00 55.23 ATOM 284 HN ASN 18 4.614 -17.138 -17.511 1.00 38.14 ATOM 285 CA ASN 18 5.166 -19.170 -17.189 1.00 75.03 ATOM 286 HA ASN 18 6.094 -18.731 -16.855 1.00 32.04 ATOM 287 CB ASN 18 4.584 -20.008 -16.036 1.00 30.14 ATOM 288 HB1 ASN 18 3.595 -20.348 -16.310 1.00 38.14 ATOM 289 HB2 ASN 18 4.511 -19.390 -15.152 1.00 53.51 ATOM 290 CG ASN 18 5.432 -21.224 -15.701 1.00 3.55 ATOM 291 OD1 ASN 18 5.244 -22.300 -16.257 1.00 5.54 ATOM 292 ND2 ASN 18 6.377 -21.063 -14.798 1.00 43.22 ATOM 293 HD21 ASN 18 6.487 -20.178 -14.394 1.00 75.44 ATOM 294 HD22 ASN 18 6.927 -21.838 -14.567 1.00 15.12 ATOM 295 C ASN 18 5.468 -20.073 -18.406 1.00 34.54 ATOM 296 O ASN 18 4.558 -20.493 -19.119 1.00 53.12 ATOM 297 N PRO 19 6.762 -20.408 -18.642 1.00 34.35 ATOM 298 CA PRO 19 7.176 -21.233 -19.797 1.00 40.21 ATOM 299 HA PRO 19 7.051 -20.684 -20.721 1.00 3.55 ATOM 300 CB PRO 19 8.680 -21.483 -19.558 1.00 72.12 ATOM 301 HB1 PRO 19 9.258 -20.880 -20.244 1.00 38.14 ATOM 302 HB2 PRO 19 8.909 -22.528 -19.717 1.00 41.53 ATOM 303 CG PRO 19 8.934 -21.081 -18.141 1.00 42.25 ATOM 304 HG1 PRO 19 9.941 -20.695 -18.045 1.00 38.14 ATOM 305 HG2 PRO 19 8.794 -21.932 -17.488 1.00 15.54 ATOM 306 CD PRO 19 7.925 -20.011 -17.826 1.00 25.43 ATOM 307 HD1 PRO 19 8.293 -19.039 -18.126 1.00 38.14 ATOM 308 HD2 PRO 19 7.682 -20.016 -16.772 1.00 3.34 ATOM 309 C PRO 19 6.422 -22.571 -19.914 1.00 13.54 ATOM 310 O PRO 19 6.005 -22.954 -21.004 1.00 75.13 ATOM 311 N VAL 20 6.247 -23.279 -18.793 1.00 45.54 ATOM 312 HN VAL 20 6.546 -22.905 -17.941 1.00 38.14 ATOM 313 CA VAL 20 5.595 -24.598 -18.810 1.00 63.53 ATOM 314 HA VAL 20 6.140 -25.231 -19.499 1.00 0.53 ATOM 315 CB VAL 20 5.620 -25.270 -17.410 1.00 30.01 ATOM 316 HB VAL 20 5.005 -24.678 -16.744 1.00 25.35 ATOM 317 CG1 VAL 20 5.028 -26.680 -17.465 1.00 33.45 ATOM 318 HG11 VAL 20 5.036 -27.115 -16.475 1.00 64.55 ATOM 319 HG12 VAL 20 5.617 -27.295 -18.129 1.00 3.22 ATOM 320 HG13 VAL 20 4.010 -26.633 -17.828 1.00 32.33 ATOM 321 CG2 VAL 20 7.035 -25.298 -16.842 1.00 44.20 ATOM 322 HG21 VAL 20 7.678 -25.868 -17.496 1.00 55.33 ATOM 323 HG22 VAL 20 7.022 -25.755 -15.863 1.00 25.13 ATOM 324 HG23 VAL 20 7.411 -24.287 -16.759 1.00 44.12 ATOM 325 C VAL 20 4.138 -24.494 -19.278 1.00 21.35 ATOM 326 O VAL 20 3.750 -25.087 -20.283 1.00 33.11 ATOM 327 N MET 21 3.343 -23.710 -18.554 1.00 55.20 ATOM 328 HN MET 21 3.726 -23.210 -17.803 1.00 38.14 ATOM 329 CA MET 21 1.916 -23.565 -18.859 1.00 0.11 ATOM 330 HA MET 21 1.496 -24.563 -18.927 1.00 31.24 ATOM 331 CB MET 21 1.205 -22.810 -17.726 1.00 0.53 ATOM 332 HB1 MET 21 0.168 -22.666 -17.995 1.00 38.14 ATOM 333 HB2 MET 21 1.672 -21.843 -17.603 1.00 4.31 ATOM 334 CG MET 21 1.254 -23.541 -16.389 1.00 73.12 ATOM 335 HG1 MET 21 2.288 -23.666 -16.099 1.00 38.14 ATOM 336 HG2 MET 21 0.797 -24.512 -16.507 1.00 32.03 ATOM 337 SD MET 21 0.390 -22.664 -15.069 1.00 23.12 ATOM 338 CE MET 21 1.353 -21.154 -14.957 1.00 30.24 ATOM 339 HE1 MET 21 2.384 -21.401 -14.751 1.00 73.13 ATOM 340 HE2 MET 21 0.965 -20.536 -14.160 1.00 21.13 ATOM 341 HE3 MET 21 1.293 -20.618 -15.892 1.00 33.30 ATOM 342 C MET 21 1.692 -22.863 -20.207 1.00 20.13 ATOM 343 O MET 21 0.666 -23.072 -20.853 1.00 60.12 ATOM 344 N GLU 22 2.647 -22.030 -20.632 1.00 74.44 ATOM 345 HN GLU 22 3.398 -21.813 -20.038 1.00 38.14 ATOM 346 CA GLU 22 2.588 -21.423 -21.965 1.00 55.23 ATOM 347 HA GLU 22 1.594 -21.022 -22.100 1.00 31.32 ATOM 348 CB GLU 22 3.610 -20.288 -22.119 1.00 1.51 ATOM 349 HB1 GLU 22 4.601 -20.679 -21.937 1.00 38.14 ATOM 350 HB2 GLU 22 3.392 -19.517 -21.392 1.00 52.11 ATOM 351 CG GLU 22 3.584 -19.663 -23.515 1.00 14.40 ATOM 352 HG1 GLU 22 2.624 -19.189 -23.658 1.00 38.14 ATOM 353 HG2 GLU 22 3.698 -20.452 -24.244 1.00 44.24 ATOM 354 CD GLU 22 4.674 -18.631 -23.761 1.00 63.11 ATOM 355 OE1 GLU 22 4.996 -18.386 -24.947 1.00 43.23 ATOM 356 OE2 GLU 22 5.196 -18.051 -22.788 1.00 33.01 ATOM 357 C GLU 22 2.846 -22.473 -23.053 1.00 32.10 ATOM 358 O GLU 22 2.034 -22.658 -23.957 1.00 52.42 ATOM 359 N LEU 23 3.990 -23.153 -22.956 1.00 3.51 ATOM 360 HN LEU 23 4.597 -22.951 -22.213 1.00 38.14 ATOM 361 CA LEU 23 4.378 -24.183 -23.927 1.00 72.24 ATOM 362 HA LEU 23 4.509 -23.697 -24.883 1.00 10.40 ATOM 363 CB LEU 23 5.710 -24.826 -23.512 1.00 45.11 ATOM 364 HB1 LEU 23 5.560 -25.341 -22.573 1.00 38.14 ATOM 365 HB2 LEU 23 6.432 -24.035 -23.355 1.00 63.43 ATOM 366 CG LEU 23 6.302 -25.825 -24.520 1.00 15.52 ATOM 367 HG LEU 23 5.559 -26.576 -24.744 1.00 51.11 ATOM 368 CD1 LEU 23 6.664 -25.131 -25.830 1.00 72.31 ATOM 369 HD11 LEU 23 5.778 -24.682 -26.258 1.00 53.11 ATOM 370 HD12 LEU 23 7.070 -25.854 -26.523 1.00 13.31 ATOM 371 HD13 LEU 23 7.400 -24.361 -25.640 1.00 74.02 ATOM 372 CD2 LEU 23 7.517 -26.531 -23.925 1.00 15.12 ATOM 373 HD21 LEU 23 7.224 -27.066 -23.033 1.00 51.32 ATOM 374 HD22 LEU 23 8.274 -25.801 -23.675 1.00 73.23 ATOM 375 HD23 LEU 23 7.917 -27.230 -24.645 1.00 32.44 ATOM 376 C LEU 23 3.288 -25.259 -24.069 1.00 2.23 ATOM 377 O LEU 23 3.033 -25.755 -25.166 1.00 13.20 ATOM 378 N ASN 24 2.636 -25.595 -22.954 1.00 52.34 ATOM 379 HN ASN 24 2.926 -25.204 -22.102 1.00 38.14 ATOM 380 CA ASN 24 1.516 -26.548 -22.958 1.00 62.01 ATOM 381 HA ASN 24 1.890 -27.490 -23.338 1.00 42.12 ATOM 382 CB ASN 24 0.997 -26.764 -21.529 1.00 62.12 ATOM 383 HB1 ASN 24 0.118 -27.388 -21.557 1.00 38.14 ATOM 384 HB2 ASN 24 0.732 -25.807 -21.103 1.00 14.23 ATOM 385 CG ASN 24 2.021 -27.420 -20.620 1.00 33.53 ATOM 386 OD1 ASN 24 2.925 -28.110 -21.072 1.00 24.11 ATOM 387 ND2 ASN 24 1.871 -27.232 -19.325 1.00 21.11 ATOM 388 HD21 ASN 24 1.117 -26.686 -19.020 1.00 20.34 ATOM 389 HD22 ASN 24 2.516 -27.651 -18.725 1.00 32.34 ATOM 390 C ASN 24 0.358 -26.079 -23.866 1.00 44.40 ATOM 391 O ASN 24 -0.451 -26.885 -24.327 1.00 44.31 ATOM 392 N GLU 25 0.270 -24.771 -24.096 1.00 11.00 ATOM 393 HN GLU 25 0.889 -24.168 -23.638 1.00 38.14 ATOM 394 CA GLU 25 -0.739 -24.204 -25.000 1.00 20.35 ATOM 395 HA GLU 25 -1.545 -24.921 -25.096 1.00 72.22 ATOM 396 CB GLU 25 -1.300 -22.905 -24.414 1.00 32.11 ATOM 397 HB1 GLU 25 -2.055 -22.513 -25.084 1.00 38.14 ATOM 398 HB2 GLU 25 -0.498 -22.186 -24.330 1.00 44.32 ATOM 399 CG GLU 25 -1.928 -23.080 -23.039 1.00 4.30 ATOM 400 HG1 GLU 25 -1.157 -23.378 -22.341 1.00 38.14 ATOM 401 HG2 GLU 25 -2.678 -23.857 -23.096 1.00 45.03 ATOM 402 CD GLU 25 -2.579 -21.805 -22.532 1.00 12.13 ATOM 403 OE1 GLU 25 -3.820 -21.686 -22.632 1.00 13.42 ATOM 404 OE2 GLU 25 -1.861 -20.917 -22.035 1.00 13.40 ATOM 405 C GLU 25 -0.150 -23.935 -26.393 1.00 74.42 ATOM 406 O GLU 25 -0.853 -23.999 -27.402 1.00 52.52 ATOM 407 N LYS 26 1.146 -23.624 -26.438 1.00 62.14 ATOM 408 HN LYS 26 1.640 -23.537 -25.595 1.00 38.14 ATOM 409 CA LYS 26 1.856 -23.406 -27.708 1.00 30.40 ATOM 410 HA LYS 26 1.259 -22.732 -28.307 1.00 51.22 ATOM 411 CB LYS 26 3.228 -22.759 -27.441 1.00 13.52 ATOM 412 HB1 LYS 26 3.700 -22.531 -28.388 1.00 38.14 ATOM 413 HB2 LYS 26 3.846 -23.464 -26.903 1.00 12.31 ATOM 414 CG LYS 26 3.148 -21.471 -26.621 1.00 60.10 ATOM 415 HG1 LYS 26 4.153 -21.138 -26.395 1.00 38.14 ATOM 416 HG2 LYS 26 2.628 -21.682 -25.698 1.00 23.42 ATOM 417 CD LYS 26 2.406 -20.352 -27.356 1.00 15.04 ATOM 418 HD1 LYS 26 1.987 -19.674 -26.624 1.00 38.14 ATOM 419 HD2 LYS 26 1.606 -20.782 -27.942 1.00 5.31 ATOM 420 CE LYS 26 3.328 -19.565 -28.283 1.00 51.44 ATOM 421 HE1 LYS 26 2.724 -18.960 -28.943 1.00 38.14 ATOM 422 HE2 LYS 26 3.914 -20.259 -28.869 1.00 2.44 ATOM 423 NZ LYS 26 4.250 -18.677 -27.521 1.00 44.44 ATOM 424 HZ1 LYS 26 4.747 -19.214 -26.780 1.00 24.53 ATOM 425 HZ2 LYS 26 3.714 -17.908 -27.069 1.00 33.25 ATOM 426 HZ3 LYS 26 4.953 -18.257 -28.160 1.00 41.34 ATOM 427 C LYS 26 2.015 -24.732 -28.472 1.00 34.01 ATOM 428 O LYS 26 2.150 -24.752 -29.695 1.00 54.40 ATOM 429 N ARG 27 2.006 -25.833 -27.723 1.00 32.31 ATOM 430 HN ARG 27 2.016 -25.735 -26.747 1.00 38.14 ATOM 431 CA ARG 27 1.982 -27.188 -28.287 1.00 50.21 ATOM 432 HA ARG 27 1.554 -27.124 -29.280 1.00 12.22 ATOM 433 CB ARG 27 3.400 -27.768 -28.388 1.00 41.11 ATOM 434 HB1 ARG 27 3.332 -28.838 -28.535 1.00 38.14 ATOM 435 HB2 ARG 27 3.921 -27.577 -27.459 1.00 23.05 ATOM 436 CG ARG 27 4.224 -27.180 -29.529 1.00 53.54 ATOM 437 HG1 ARG 27 5.225 -27.582 -29.481 1.00 38.14 ATOM 438 HG2 ARG 27 4.261 -26.106 -29.416 1.00 64.54 ATOM 439 CD ARG 27 3.619 -27.513 -30.890 1.00 51.20 ATOM 440 HD1 ARG 27 2.597 -27.161 -30.910 1.00 38.14 ATOM 441 HD2 ARG 27 3.630 -28.585 -31.021 1.00 41.14 ATOM 442 NE ARG 27 4.354 -26.894 -31.991 1.00 1.32 ATOM 443 HE ARG 27 5.015 -26.212 -31.768 1.00 63.25 ATOM 444 CZ ARG 27 4.165 -27.185 -33.251 1.00 41.11 ATOM 445 NH1 ARG 27 3.299 -28.083 -33.599 1.00 54.33 ATOM 446 HH11 ARG 27 2.773 -28.564 -32.908 1.00 22.43 ATOM 447 HH12 ARG 27 3.156 -28.284 -34.569 1.00 62.13 ATOM 448 NH2 ARG 27 4.843 -26.574 -34.164 1.00 2.25 ATOM 449 HH21 ARG 27 5.511 -25.875 -33.913 1.00 61.43 ATOM 450 HH22 ARG 27 4.691 -26.800 -35.125 1.00 34.11 ATOM 451 C ARG 27 1.091 -28.096 -27.427 1.00 43.31 ATOM 452 O ARG 27 1.357 -28.304 -26.245 1.00 12.32 ATOM 453 N ARG 28 0.038 -28.639 -28.030 1.00 73.15 ATOM 454 HN ARG 28 -0.048 -28.553 -29.004 1.00 38.14 ATOM 455 CA ARG 28 -0.997 -29.363 -27.279 1.00 75.44 ATOM 456 HA ARG 28 -1.183 -28.812 -26.369 1.00 21.20 ATOM 457 CB ARG 28 -2.295 -29.405 -28.098 1.00 20.05 ATOM 458 HB1 ARG 28 -3.088 -29.792 -27.473 1.00 38.14 ATOM 459 HB2 ARG 28 -2.156 -30.070 -28.939 1.00 12.04 ATOM 460 CG ARG 28 -2.731 -28.042 -28.636 1.00 1.14 ATOM 461 HG1 ARG 28 -3.638 -28.170 -29.211 1.00 38.14 ATOM 462 HG2 ARG 28 -1.952 -27.656 -29.278 1.00 25.42 ATOM 463 CD ARG 28 -2.991 -27.032 -27.519 1.00 15.14 ATOM 464 HD1 ARG 28 -3.255 -26.082 -27.964 1.00 38.14 ATOM 465 HD2 ARG 28 -2.086 -26.915 -26.938 1.00 22.31 ATOM 466 NE ARG 28 -4.069 -27.464 -26.632 1.00 21.42 ATOM 467 HE ARG 28 -4.009 -28.366 -26.253 1.00 35.32 ATOM 468 CZ ARG 28 -5.105 -26.735 -26.320 1.00 64.15 ATOM 469 NH1 ARG 28 -5.231 -25.527 -26.776 1.00 73.34 ATOM 470 HH11 ARG 28 -4.533 -25.145 -27.376 1.00 2.03 ATOM 471 HH12 ARG 28 -6.024 -24.982 -26.523 1.00 43.30 ATOM 472 NH2 ARG 28 -6.013 -27.222 -25.546 1.00 2.31 ATOM 473 HH21 ARG 28 -5.914 -28.150 -25.190 1.00 74.04 ATOM 474 HH22 ARG 28 -6.816 -26.680 -25.314 1.00 1.40 ATOM 475 C ARG 28 -0.572 -30.796 -26.903 1.00 61.14 ATOM 476 O ARG 28 -0.153 -31.579 -27.759 1.00 11.21 ATOM 477 N GLY 29 -0.709 -31.132 -25.615 1.00 62.45 ATOM 478 HN GLY 29 -1.001 -30.444 -24.977 1.00 38.14 ATOM 479 CA GLY 29 -0.441 -32.492 -25.139 1.00 24.30 ATOM 480 HA1 GLY 29 -0.971 -33.190 -25.771 1.00 38.14 ATOM 481 HA2 GLY 29 -0.823 -32.584 -24.133 1.00 31.35 ATOM 482 C GLY 29 1.039 -32.868 -25.128 1.00 43.20 ATOM 483 O GLY 29 1.455 -33.809 -25.807 1.00 2.34 ATOM 484 N LEU 30 1.835 -32.148 -24.342 1.00 10.42 ATOM 485 HN LEU 30 1.452 -31.408 -23.826 1.00 38.14 ATOM 486 CA LEU 30 3.276 -32.424 -24.243 1.00 31.01 ATOM 487 HA LEU 30 3.584 -32.880 -25.176 1.00 30.25 ATOM 488 CB LEU 30 4.051 -31.115 -24.064 1.00 73.31 ATOM 489 HB1 LEU 30 5.102 -31.352 -23.974 1.00 38.14 ATOM 490 HB2 LEU 30 3.722 -30.649 -23.145 1.00 31.14 ATOM 491 CG LEU 30 3.884 -30.105 -25.208 1.00 25.03 ATOM 492 HG LEU 30 2.850 -29.787 -25.246 1.00 51.42 ATOM 493 CD1 LEU 30 4.737 -28.868 -24.964 1.00 34.13 ATOM 494 HD11 LEU 30 4.458 -28.417 -24.022 1.00 15.45 ATOM 495 HD12 LEU 30 4.578 -28.156 -25.762 1.00 4.54 ATOM 496 HD13 LEU 30 5.781 -29.146 -24.933 1.00 21.10 ATOM 497 CD2 LEU 30 4.226 -30.747 -26.551 1.00 2.01 ATOM 498 HD21 LEU 30 3.566 -31.584 -26.728 1.00 12.40 ATOM 499 HD22 LEU 30 5.249 -31.093 -26.537 1.00 30.33 ATOM 500 HD23 LEU 30 4.103 -30.022 -27.342 1.00 44.23 ATOM 501 C LEU 30 3.615 -33.396 -23.097 1.00 3.02 ATOM 502 O LEU 30 2.792 -33.662 -22.218 1.00 61.42 ATOM 503 N LYS 31 4.844 -33.916 -23.113 1.00 22.11 ATOM 504 HN LYS 31 5.466 -33.636 -23.817 1.00 38.14 ATOM 505 CA LYS 31 5.294 -34.895 -22.114 1.00 35.44 ATOM 506 HA LYS 31 4.511 -34.993 -21.373 1.00 15.13 ATOM 507 CB LYS 31 5.505 -36.263 -22.783 1.00 53.32 ATOM 508 HB1 LYS 31 6.176 -36.137 -23.623 1.00 38.14 ATOM 509 HB2 LYS 31 4.552 -36.618 -23.150 1.00 63.14 ATOM 510 CG LYS 31 6.090 -37.333 -21.858 1.00 61.25 ATOM 511 HG1 LYS 31 5.542 -37.326 -20.925 1.00 38.14 ATOM 512 HG2 LYS 31 7.127 -37.098 -21.664 1.00 3.33 ATOM 513 CD LYS 31 6.007 -38.732 -22.473 1.00 41.33 ATOM 514 HD1 LYS 31 4.968 -38.971 -22.655 1.00 38.14 ATOM 515 HD2 LYS 31 6.420 -39.444 -21.773 1.00 3.23 ATOM 516 CE LYS 31 6.776 -38.835 -23.789 1.00 72.13 ATOM 517 HE1 LYS 31 6.435 -38.053 -24.452 1.00 38.14 ATOM 518 HE2 LYS 31 6.569 -39.796 -24.238 1.00 31.45 ATOM 519 NZ LYS 31 8.245 -38.701 -23.602 1.00 20.21 ATOM 520 HZ1 LYS 31 8.731 -38.769 -24.519 1.00 51.31 ATOM 521 HZ2 LYS 31 8.600 -39.457 -22.982 1.00 11.44 ATOM 522 HZ3 LYS 31 8.477 -37.786 -23.166 1.00 53.23 ATOM 523 C LYS 31 6.579 -34.443 -21.400 1.00 30.14 ATOM 524 O LYS 31 7.650 -34.377 -22.004 1.00 60.43 ATOM 525 N TYR 32 6.452 -34.121 -20.112 1.00 25.41 ATOM 526 HN TYR 32 5.557 -34.134 -19.710 1.00 38.14 ATOM 527 CA TYR 32 7.601 -33.746 -19.274 1.00 23.24 ATOM 528 HA TYR 32 8.416 -33.463 -19.928 1.00 53.51 ATOM 529 CB TYR 32 7.239 -32.549 -18.375 1.00 41.42 ATOM 530 HB1 TYR 32 8.084 -32.322 -17.738 1.00 38.14 ATOM 531 HB2 TYR 32 6.397 -32.819 -17.756 1.00 50.35 ATOM 532 CG TYR 32 6.866 -31.276 -19.125 1.00 35.40 ATOM 533 CD1 TYR 32 7.703 -30.163 -19.112 1.00 3.51 ATOM 534 HD1 TYR 32 8.636 -30.214 -18.568 1.00 12.23 ATOM 535 CD2 TYR 32 5.670 -31.186 -19.832 1.00 70.12 ATOM 536 HD2 TYR 32 5.007 -32.039 -19.854 1.00 34.40 ATOM 537 CE1 TYR 32 7.361 -29.004 -19.784 1.00 15.53 ATOM 538 HE1 TYR 32 8.024 -28.152 -19.761 1.00 5.00 ATOM 539 CE2 TYR 32 5.324 -30.031 -20.508 1.00 33.15 ATOM 540 HE2 TYR 32 4.391 -29.984 -21.053 1.00 34.11 ATOM 541 CZ TYR 32 6.171 -28.943 -20.479 1.00 20.14 ATOM 542 OH TYR 32 5.829 -27.792 -21.151 1.00 63.21 ATOM 543 HH TYR 32 4.878 -27.649 -21.081 1.00 44.25 ATOM 544 C TYR 32 8.049 -34.933 -18.396 1.00 73.21 ATOM 545 O TYR 32 7.282 -35.428 -17.566 1.00 73.43 ATOM 546 N GLU 33 9.288 -35.381 -18.579 1.00 24.03 ATOM 547 HN GLU 33 9.854 -34.944 -19.245 1.00 38.14 ATOM 548 CA GLU 33 9.834 -36.522 -17.824 1.00 50.33 ATOM 549 HA GLU 33 9.101 -36.816 -17.086 1.00 74.44 ATOM 550 CB GLU 33 10.073 -37.697 -18.781 1.00 33.34 ATOM 551 HB1 GLU 33 9.128 -37.977 -19.226 1.00 38.14 ATOM 552 HB2 GLU 33 10.455 -38.538 -18.217 1.00 63.25 ATOM 553 CG GLU 33 11.056 -37.380 -19.904 1.00 50.11 ATOM 554 HG1 GLU 33 12.063 -37.456 -19.515 1.00 38.14 ATOM 555 HG2 GLU 33 10.882 -36.369 -20.238 1.00 45.43 ATOM 556 CD GLU 33 10.918 -38.320 -21.092 1.00 51.21 ATOM 557 OE1 GLU 33 11.601 -39.366 -21.123 1.00 64.30 ATOM 558 OE2 GLU 33 10.118 -38.018 -22.003 1.00 20.43 ATOM 559 C GLU 33 11.137 -36.146 -17.093 1.00 71.43 ATOM 560 O GLU 33 11.774 -35.142 -17.412 1.00 73.22 ATOM 561 N LEU 34 11.527 -36.962 -16.116 1.00 54.34 ATOM 562 HN LEU 34 11.012 -37.779 -15.952 1.00 38.14 ATOM 563 CA LEU 34 12.712 -36.682 -15.287 1.00 22.33 ATOM 564 HA LEU 34 12.849 -35.609 -15.259 1.00 31.40 ATOM 565 CB LEU 34 12.490 -37.189 -13.851 1.00 70.13 ATOM 566 HB1 LEU 34 12.274 -38.246 -13.896 1.00 38.14 ATOM 567 HB2 LEU 34 11.624 -36.682 -13.444 1.00 34.33 ATOM 568 CG LEU 34 13.671 -36.979 -12.882 1.00 11.10 ATOM 569 HG LEU 34 14.572 -37.357 -13.345 1.00 72.11 ATOM 570 CD1 LEU 34 13.888 -35.494 -12.593 1.00 41.21 ATOM 571 HD11 LEU 34 14.110 -34.974 -13.513 1.00 71.32 ATOM 572 HD12 LEU 34 14.714 -35.376 -11.905 1.00 61.42 ATOM 573 HD13 LEU 34 12.993 -35.077 -12.151 1.00 30.12 ATOM 574 CD2 LEU 34 13.449 -37.753 -11.586 1.00 61.45 ATOM 575 HD21 LEU 34 12.556 -37.392 -11.096 1.00 44.44 ATOM 576 HD22 LEU 34 14.299 -37.614 -10.931 1.00 51.33 ATOM 577 HD23 LEU 34 13.338 -38.805 -11.808 1.00 55.21 ATOM 578 C LEU 34 13.980 -37.327 -15.870 1.00 41.34 ATOM 579 O LEU 34 13.968 -38.489 -16.289 1.00 45.23 ATOM 580 N ILE 35 15.078 -36.568 -15.885 1.00 12.43 ATOM 581 HN ILE 35 15.020 -35.643 -15.560 1.00 38.14 ATOM 582 CA ILE 35 16.365 -37.073 -16.387 1.00 3.51 ATOM 583 HA ILE 35 16.190 -38.046 -16.831 1.00 30.52 ATOM 584 CB ILE 35 16.949 -36.139 -17.483 1.00 44.20 ATOM 585 HB ILE 35 17.142 -35.175 -17.033 1.00 41.24 ATOM 586 CG1 ILE 35 15.941 -35.959 -18.632 1.00 20.33 ATOM 587 HG11 ILE 35 16.365 -35.291 -19.371 1.00 38.14 ATOM 588 HG12 ILE 35 15.034 -35.521 -18.242 1.00 70.15 ATOM 589 CG2 ILE 35 18.277 -36.682 -18.019 1.00 52.41 ATOM 590 HG21 ILE 35 18.653 -36.023 -18.789 1.00 4.33 ATOM 591 HG22 ILE 35 18.125 -37.668 -18.434 1.00 21.23 ATOM 592 HG23 ILE 35 18.996 -36.739 -17.214 1.00 42.45 ATOM 593 CD1 ILE 35 15.565 -37.250 -19.335 1.00 33.32 ATOM 594 HD11 ILE 35 15.132 -37.937 -18.623 1.00 41.30 ATOM 595 HD12 ILE 35 16.447 -37.694 -19.774 1.00 60.43 ATOM 596 HD13 ILE 35 14.846 -37.038 -20.113 1.00 62.41 ATOM 597 C ILE 35 17.400 -37.229 -15.255 1.00 62.31 ATOM 598 O ILE 35 18.003 -38.293 -15.092 1.00 21.03 ATOM 599 N SER 36 17.603 -36.168 -14.470 1.00 25.13 ATOM 600 HN SER 36 17.047 -35.371 -14.595 1.00 38.14 ATOM 601 CA SER 36 18.633 -36.168 -13.415 1.00 63.40 ATOM 602 HA SER 36 18.829 -37.196 -13.140 1.00 71.40 ATOM 603 CB SER 36 19.934 -35.547 -13.945 1.00 44.42 ATOM 604 HB1 SER 36 19.741 -34.537 -14.278 1.00 38.14 ATOM 605 HB2 SER 36 20.299 -36.133 -14.775 1.00 4.13 ATOM 606 OG SER 36 20.936 -35.513 -12.940 1.00 1.21 ATOM 607 HG SER 36 21.548 -34.786 -13.128 1.00 61.12 ATOM 608 C SER 36 18.182 -35.406 -12.160 1.00 63.24 ATOM 609 O SER 36 17.431 -34.434 -12.245 1.00 22.32 ATOM 610 N GLU 37 18.646 -35.860 -10.994 1.00 35.13 ATOM 611 HN GLU 37 19.187 -36.678 -10.989 1.00 38.14 ATOM 612 CA GLU 37 18.374 -35.183 -9.716 1.00 21.20 ATOM 613 HA GLU 37 17.993 -34.196 -9.936 1.00 61.24 ATOM 614 CB GLU 37 17.324 -35.955 -8.898 1.00 54.03 ATOM 615 HB1 GLU 37 17.189 -35.455 -7.949 1.00 38.14 ATOM 616 HB2 GLU 37 17.692 -36.954 -8.716 1.00 53.13 ATOM 617 CG GLU 37 15.962 -36.074 -9.568 1.00 0.42 ATOM 618 HG1 GLU 37 16.057 -36.706 -10.441 1.00 38.14 ATOM 619 HG2 GLU 37 15.638 -35.089 -9.876 1.00 63.30 ATOM 620 CD GLU 37 14.908 -36.671 -8.646 1.00 20.15 ATOM 621 OE1 GLU 37 14.013 -35.927 -8.191 1.00 64.11 ATOM 622 OE2 GLU 37 14.978 -37.884 -8.355 1.00 51.33 ATOM 623 C GLU 37 19.662 -35.043 -8.884 1.00 63.21 ATOM 624 O GLU 37 20.200 -36.038 -8.386 1.00 42.21 ATOM 625 N THR 38 20.157 -33.813 -8.734 1.00 1.22 ATOM 626 HN THR 38 19.698 -33.059 -9.166 1.00 38.14 ATOM 627 CA THR 38 21.370 -33.551 -7.937 1.00 40.43 ATOM 628 HA THR 38 21.678 -34.486 -7.484 1.00 72.42 ATOM 629 CB THR 38 22.544 -33.032 -8.812 1.00 33.52 ATOM 630 HB THR 38 23.393 -32.841 -8.169 1.00 12.24 ATOM 631 OG1 THR 38 22.186 -31.809 -9.477 1.00 70.42 ATOM 632 HG1 THR 38 21.326 -31.509 -9.160 1.00 23.23 ATOM 633 CG2 THR 38 22.953 -34.073 -9.851 1.00 71.52 ATOM 634 HG21 THR 38 23.269 -34.977 -9.352 1.00 52.31 ATOM 635 HG22 THR 38 23.767 -33.688 -10.449 1.00 73.04 ATOM 636 HG23 THR 38 22.110 -34.292 -10.491 1.00 50.14 ATOM 637 C THR 38 21.098 -32.537 -6.818 1.00 72.41 ATOM 638 O THR 38 20.461 -31.508 -7.040 1.00 14.42 ATOM 639 N GLY 39 21.583 -32.837 -5.614 1.00 60.23 ATOM 640 HN GLY 39 22.083 -33.672 -5.493 1.00 38.14 ATOM 641 CA GLY 39 21.382 -31.943 -4.478 1.00 63.32 ATOM 642 HA1 GLY 39 20.360 -31.590 -4.486 1.00 38.14 ATOM 643 HA2 GLY 39 22.042 -31.093 -4.585 1.00 34.21 ATOM 644 C GLY 39 21.659 -32.616 -3.135 1.00 53.42 ATOM 645 O GLY 39 20.799 -33.312 -2.592 1.00 64.33 ATOM 646 N GLY 40 22.870 -32.421 -2.616 1.00 5.34 ATOM 647 HN GLY 40 23.527 -31.912 -3.134 1.00 38.14 ATOM 648 CA GLY 40 23.247 -32.961 -1.311 1.00 32.12 ATOM 649 HA1 GLY 40 23.560 -33.987 -1.433 1.00 38.14 ATOM 650 HA2 GLY 40 22.387 -32.931 -0.654 1.00 60.13 ATOM 651 C GLY 40 24.388 -32.168 -0.675 1.00 13.32 ATOM 652 O GLY 40 25.519 -32.194 -1.174 1.00 2.22 ATOM 653 N SER 41 24.097 -31.459 0.424 1.00 1.41 ATOM 654 HN SER 41 23.215 -31.575 0.841 1.00 38.14 ATOM 655 CA SER 41 25.057 -30.524 1.040 1.00 23.14 ATOM 656 HA SER 41 24.562 -30.050 1.875 1.00 43.03 ATOM 657 CB SER 41 26.302 -31.275 1.554 1.00 15.54 ATOM 658 HB1 SER 41 26.849 -31.678 0.713 1.00 38.14 ATOM 659 HB2 SER 41 25.986 -32.086 2.194 1.00 43.24 ATOM 660 OG SER 41 27.171 -30.423 2.299 1.00 64.25 ATOM 661 HG SER 41 27.070 -29.509 1.995 1.00 0.22 ATOM 662 C SER 41 25.461 -29.438 0.027 1.00 71.14 ATOM 663 O SER 41 26.529 -28.828 0.126 1.00 44.21 ATOM 664 N HIS 42 24.569 -29.191 -0.934 1.00 34.33 ATOM 665 HN HIS 42 23.697 -29.640 -0.890 1.00 38.14 ATOM 666 CA HIS 42 24.824 -28.265 -2.042 1.00 31.53 ATOM 667 HA HIS 42 25.313 -27.389 -1.640 1.00 60.13 ATOM 668 CB HIS 42 25.750 -28.932 -3.076 1.00 31.32 ATOM 669 HB1 HIS 42 25.281 -29.837 -3.438 1.00 38.14 ATOM 670 HB2 HIS 42 26.681 -29.192 -2.593 1.00 24.11 ATOM 671 CG HIS 42 26.085 -28.078 -4.267 1.00 24.32 ATOM 672 ND1 HIS 42 27.026 -27.074 -4.229 1.00 11.32 ATOM 673 HD1 HIS 42 27.571 -26.825 -3.449 1.00 73.11 ATOM 674 CD2 HIS 42 25.602 -28.083 -5.536 1.00 73.22 ATOM 675 HD2 HIS 42 24.841 -28.742 -5.932 1.00 21.24 ATOM 676 CE1 HIS 42 27.109 -26.500 -5.412 1.00 43.53 ATOM 677 HE1 HIS 42 27.762 -25.681 -5.670 1.00 60.24 ATOM 678 NE2 HIS 42 26.257 -27.092 -6.224 1.00 44.13 ATOM 679 HE2 HIS 42 26.262 -26.995 -7.200 1.00 38.14 ATOM 680 C HIS 42 23.501 -27.836 -2.699 1.00 21.33 ATOM 681 O HIS 42 22.472 -28.488 -2.515 1.00 74.45 ATOM 682 N ASP 43 23.542 -26.738 -3.455 1.00 42.30 ATOM 683 HN ASP 43 24.390 -26.252 -3.536 1.00 38.14 ATOM 684 CA ASP 43 22.361 -26.205 -4.149 1.00 62.51 ATOM 685 HA ASP 43 21.698 -25.796 -3.399 1.00 2.12 ATOM 686 CB ASP 43 22.786 -25.077 -5.093 1.00 50.12 ATOM 687 HB1 ASP 43 21.906 -24.657 -5.562 1.00 38.14 ATOM 688 HB2 ASP 43 23.435 -25.483 -5.859 1.00 11.24 ATOM 689 CG ASP 43 23.529 -23.969 -4.372 1.00 1.21 ATOM 690 OD1 ASP 43 22.922 -22.914 -4.090 1.00 44.41 ATOM 691 OD2 ASP 43 24.730 -24.152 -4.077 1.00 31.14 ATOM 692 C ASP 43 21.601 -27.280 -4.948 1.00 15.31 ATOM 693 O ASP 43 22.201 -28.111 -5.636 1.00 51.34 ATOM 694 N LYS 44 20.275 -27.245 -4.850 1.00 55.41 ATOM 695 HN LYS 44 19.867 -26.585 -4.251 1.00 38.14 ATOM 696 CA LYS 44 19.402 -28.160 -5.594 1.00 1.32 ATOM 697 HA LYS 44 19.708 -29.173 -5.371 1.00 54.32 ATOM 698 CB LYS 44 17.948 -27.963 -5.145 1.00 31.41 ATOM 699 HB1 LYS 44 17.307 -28.571 -5.770 1.00 38.14 ATOM 700 HB2 LYS 44 17.682 -26.925 -5.284 1.00 0.35 ATOM 701 CG LYS 44 17.681 -28.329 -3.688 1.00 60.31 ATOM 702 HG1 LYS 44 16.733 -27.900 -3.388 1.00 38.14 ATOM 703 HG2 LYS 44 18.470 -27.920 -3.075 1.00 11.33 ATOM 704 CD LYS 44 17.628 -29.841 -3.477 1.00 34.10 ATOM 705 HD1 LYS 44 18.571 -30.272 -3.785 1.00 38.14 ATOM 706 HD2 LYS 44 16.829 -30.254 -4.077 1.00 32.22 ATOM 707 CE LYS 44 17.380 -30.188 -2.014 1.00 64.24 ATOM 708 HE1 LYS 44 16.558 -29.590 -1.647 1.00 38.14 ATOM 709 HE2 LYS 44 18.270 -29.958 -1.447 1.00 53.11 ATOM 710 NZ LYS 44 17.051 -31.624 -1.821 1.00 54.24 ATOM 711 HZ1 LYS 44 16.142 -31.851 -2.276 1.00 31.22 ATOM 712 HZ2 LYS 44 16.975 -31.840 -0.806 1.00 32.42 ATOM 713 HZ3 LYS 44 17.791 -32.223 -2.237 1.00 2.14 ATOM 714 C LYS 44 19.495 -27.925 -7.111 1.00 65.43 ATOM 715 O LYS 44 19.493 -26.782 -7.577 1.00 40.44 ATOM 716 N ARG 45 19.572 -29.007 -7.879 1.00 41.25 ATOM 717 HN ARG 45 19.636 -29.888 -7.457 1.00 38.14 ATOM 718 CA ARG 45 19.571 -28.911 -9.341 1.00 72.32 ATOM 719 HA ARG 45 18.948 -28.068 -9.611 1.00 4.54 ATOM 720 CB ARG 45 20.987 -28.662 -9.872 1.00 43.42 ATOM 721 HB1 ARG 45 21.582 -29.552 -9.717 1.00 38.14 ATOM 722 HB2 ARG 45 21.428 -27.845 -9.317 1.00 63.12 ATOM 723 CG ARG 45 21.024 -28.311 -11.358 1.00 32.34 ATOM 724 HG1 ARG 45 20.363 -27.473 -11.537 1.00 38.14 ATOM 725 HG2 ARG 45 20.685 -29.164 -11.928 1.00 62.41 ATOM 726 CD ARG 45 22.428 -27.940 -11.820 1.00 53.13 ATOM 727 HD1 ARG 45 22.388 -27.671 -12.867 1.00 38.14 ATOM 728 HD2 ARG 45 23.072 -28.798 -11.697 1.00 63.52 ATOM 729 NE ARG 45 22.985 -26.817 -11.062 1.00 73.31 ATOM 730 HE ARG 45 22.461 -26.475 -10.308 1.00 55.13 ATOM 731 CZ ARG 45 24.134 -26.254 -11.319 1.00 33.44 ATOM 732 NH1 ARG 45 24.858 -26.648 -12.317 1.00 54.35 ATOM 733 HH11 ARG 45 24.538 -27.389 -12.907 1.00 61.32 ATOM 734 HH12 ARG 45 25.740 -26.216 -12.490 1.00 52.24 ATOM 735 NH2 ARG 45 24.560 -25.284 -10.581 1.00 50.44 ATOM 736 HH21 ARG 45 24.011 -24.964 -9.809 1.00 20.15 ATOM 737 HH22 ARG 45 25.435 -24.849 -10.786 1.00 40.45 ATOM 738 C ARG 45 18.978 -30.174 -9.981 1.00 71.43 ATOM 739 O ARG 45 19.573 -31.252 -9.938 1.00 63.43 ATOM 740 N PHE 46 17.790 -30.027 -10.554 1.00 41.22 ATOM 741 HN PHE 46 17.359 -29.153 -10.514 1.00 38.14 ATOM 742 CA PHE 46 17.094 -31.120 -11.237 1.00 4.13 ATOM 743 HA PHE 46 17.613 -32.044 -11.022 1.00 71.43 ATOM 744 CB PHE 46 15.650 -31.219 -10.723 1.00 51.23 ATOM 745 HB1 PHE 46 15.138 -32.003 -11.266 1.00 38.14 ATOM 746 HB2 PHE 46 15.144 -30.280 -10.903 1.00 22.13 ATOM 747 CG PHE 46 15.539 -31.526 -9.248 1.00 0.53 ATOM 748 CD1 PHE 46 14.949 -32.702 -8.816 1.00 12.34 ATOM 749 HD1 PHE 46 14.564 -33.401 -9.544 1.00 5.22 ATOM 750 CD2 PHE 46 16.028 -30.640 -8.295 1.00 70.01 ATOM 751 HD2 PHE 46 16.491 -29.717 -8.615 1.00 24.32 ATOM 752 CE1 PHE 46 14.848 -32.989 -7.470 1.00 30.55 ATOM 753 HE1 PHE 46 14.384 -33.911 -7.150 1.00 4.50 ATOM 754 CE2 PHE 46 15.929 -30.924 -6.947 1.00 32.23 ATOM 755 HE2 PHE 46 16.313 -30.226 -6.218 1.00 73.25 ATOM 756 CZ PHE 46 15.338 -32.100 -6.533 1.00 24.14 ATOM 757 HZ PHE 46 15.260 -32.327 -5.478 1.00 15.23 ATOM 758 C PHE 46 17.087 -30.886 -12.752 1.00 72.02 ATOM 759 O PHE 46 17.069 -29.744 -13.206 1.00 72.21 ATOM 760 N VAL 47 17.099 -31.966 -13.529 1.00 72.44 ATOM 761 HN VAL 47 17.129 -32.850 -13.112 1.00 38.14 ATOM 762 CA VAL 47 17.068 -31.871 -14.995 1.00 33.23 ATOM 763 HA VAL 47 16.987 -30.824 -15.261 1.00 55.03 ATOM 764 CB VAL 47 18.364 -32.432 -15.634 1.00 54.11 ATOM 765 HB VAL 47 18.441 -33.479 -15.374 1.00 31.40 ATOM 766 CG1 VAL 47 18.313 -32.327 -17.160 1.00 64.14 ATOM 767 HG11 VAL 47 18.186 -31.293 -17.449 1.00 62.52 ATOM 768 HG12 VAL 47 17.483 -32.909 -17.535 1.00 61.41 ATOM 769 HG13 VAL 47 19.234 -32.706 -17.580 1.00 60.54 ATOM 770 CG2 VAL 47 19.595 -31.713 -15.080 1.00 10.34 ATOM 771 HG21 VAL 47 19.644 -31.853 -14.010 1.00 10.23 ATOM 772 HG22 VAL 47 19.529 -30.657 -15.301 1.00 4.14 ATOM 773 HG23 VAL 47 20.488 -32.119 -15.535 1.00 64.23 ATOM 774 C VAL 47 15.858 -32.621 -15.573 1.00 51.41 ATOM 775 O VAL 47 15.729 -33.840 -15.412 1.00 42.12 ATOM 776 N MET 48 14.980 -31.884 -16.245 1.00 22.32 ATOM 777 HN MET 48 15.156 -30.924 -16.352 1.00 38.14 ATOM 778 CA MET 48 13.764 -32.452 -16.840 1.00 22.23 ATOM 779 HA MET 48 13.701 -33.495 -16.560 1.00 13.31 ATOM 780 CB MET 48 12.529 -31.710 -16.306 1.00 70.10 ATOM 781 HB1 MET 48 11.642 -32.135 -16.758 1.00 38.14 ATOM 782 HB2 MET 48 12.599 -30.669 -16.589 1.00 33.11 ATOM 783 CG MET 48 12.370 -31.782 -14.790 1.00 42.23 ATOM 784 HG1 MET 48 11.613 -31.072 -14.487 1.00 38.14 ATOM 785 HG2 MET 48 13.312 -31.516 -14.331 1.00 64.50 ATOM 786 SD MET 48 11.891 -33.417 -14.204 1.00 4.44 ATOM 787 CE MET 48 10.249 -33.569 -14.910 1.00 63.31 ATOM 788 HE1 MET 48 9.615 -32.786 -14.520 1.00 32.03 ATOM 789 HE2 MET 48 9.834 -34.532 -14.652 1.00 65.51 ATOM 790 HE3 MET 48 10.308 -33.482 -15.985 1.00 71.23 ATOM 791 C MET 48 13.806 -32.347 -18.372 1.00 42.11 ATOM 792 O MET 48 14.364 -31.397 -18.921 1.00 2.33 ATOM 793 N GLU 49 13.221 -33.326 -19.056 1.00 71.34 ATOM 794 HN GLU 49 12.842 -34.088 -18.569 1.00 38.14 ATOM 795 CA GLU 49 13.124 -33.296 -20.522 1.00 44.24 ATOM 796 HA GLU 49 13.641 -32.413 -20.873 1.00 32.23 ATOM 797 CB GLU 49 13.786 -34.535 -21.141 1.00 44.01 ATOM 798 HB1 GLU 49 13.271 -35.420 -20.790 1.00 38.14 ATOM 799 HB2 GLU 49 14.816 -34.579 -20.814 1.00 31.33 ATOM 800 CG GLU 49 13.764 -34.539 -22.669 1.00 11.54 ATOM 801 HG1 GLU 49 14.273 -33.653 -23.024 1.00 38.14 ATOM 802 HG2 GLU 49 12.735 -34.512 -23.003 1.00 73.32 ATOM 803 CD GLU 49 14.438 -35.761 -23.274 1.00 21.23 ATOM 804 OE1 GLU 49 15.653 -35.703 -23.551 1.00 1.44 ATOM 805 OE2 GLU 49 13.754 -36.781 -23.484 1.00 3.34 ATOM 806 C GLU 49 11.662 -33.221 -20.973 1.00 32.31 ATOM 807 O GLU 49 10.792 -33.879 -20.404 1.00 24.52 ATOM 808 N VAL 50 11.394 -32.420 -21.996 1.00 52.24 ATOM 809 HN VAL 50 12.120 -31.895 -22.391 1.00 38.14 ATOM 810 CA VAL 50 10.045 -32.297 -22.545 1.00 33.14 ATOM 811 HA VAL 50 9.406 -32.991 -22.011 1.00 15.10 ATOM 812 CB VAL 50 9.478 -30.867 -22.332 1.00 3.54 ATOM 813 HB VAL 50 9.412 -30.691 -21.266 1.00 55.25 ATOM 814 CG1 VAL 50 10.403 -29.805 -22.927 1.00 40.31 ATOM 815 HG11 VAL 50 9.986 -28.823 -22.752 1.00 5.42 ATOM 816 HG12 VAL 50 10.507 -29.967 -23.990 1.00 12.00 ATOM 817 HG13 VAL 50 11.374 -29.870 -22.457 1.00 4.22 ATOM 818 CG2 VAL 50 8.068 -30.755 -22.915 1.00 51.13 ATOM 819 HG21 VAL 50 7.692 -29.752 -22.763 1.00 51.43 ATOM 820 HG22 VAL 50 7.416 -31.460 -22.420 1.00 11.52 ATOM 821 HG23 VAL 50 8.094 -30.972 -23.974 1.00 65.45 ATOM 822 C VAL 50 10.012 -32.656 -24.039 1.00 24.34 ATOM 823 O VAL 50 10.797 -32.135 -24.835 1.00 1.11 ATOM 824 N GLU 51 9.115 -33.570 -24.409 1.00 53.23 ATOM 825 HN GLU 51 8.593 -34.029 -23.717 1.00 38.14 ATOM 826 CA GLU 51 8.897 -33.910 -25.817 1.00 43.42 ATOM 827 HA GLU 51 9.847 -33.824 -26.330 1.00 72.33 ATOM 828 CB GLU 51 8.388 -35.356 -25.957 1.00 73.23 ATOM 829 HB1 GLU 51 7.506 -35.476 -25.346 1.00 38.14 ATOM 830 HB2 GLU 51 9.155 -36.030 -25.599 1.00 42.23 ATOM 831 CG GLU 51 8.038 -35.747 -27.393 1.00 33.14 ATOM 832 HG1 GLU 51 8.917 -35.617 -28.010 1.00 38.14 ATOM 833 HG2 GLU 51 7.255 -35.092 -27.750 1.00 20.14 ATOM 834 CD GLU 51 7.557 -37.186 -27.524 1.00 73.11 ATOM 835 OE1 GLU 51 8.236 -37.988 -28.196 1.00 33.21 ATOM 836 OE2 GLU 51 6.496 -37.520 -26.958 1.00 33.40 ATOM 837 C GLU 51 7.902 -32.928 -26.455 1.00 35.21 ATOM 838 O GLU 51 6.692 -33.017 -26.237 1.00 1.31 ATOM 839 N VAL 52 8.429 -31.980 -27.222 1.00 32.04 ATOM 840 HN VAL 52 9.400 -31.959 -27.340 1.00 38.14 ATOM 841 CA VAL 52 7.615 -30.955 -27.880 1.00 52.23 ATOM 842 HA VAL 52 6.618 -30.991 -27.460 1.00 63.34 ATOM 843 CB VAL 52 8.198 -29.543 -27.626 1.00 0.13 ATOM 844 HB VAL 52 9.159 -29.481 -28.121 1.00 31.53 ATOM 845 CG1 VAL 52 7.294 -28.461 -28.215 1.00 42.41 ATOM 846 HG11 VAL 52 7.209 -28.602 -29.283 1.00 72.04 ATOM 847 HG12 VAL 52 7.719 -27.487 -28.015 1.00 72.24 ATOM 848 HG13 VAL 52 6.313 -28.524 -27.765 1.00 65.21 ATOM 849 CG2 VAL 52 8.420 -29.314 -26.136 1.00 15.43 ATOM 850 HG21 VAL 52 8.840 -28.331 -25.979 1.00 61.00 ATOM 851 HG22 VAL 52 9.102 -30.060 -25.753 1.00 4.05 ATOM 852 HG23 VAL 52 7.477 -29.388 -25.614 1.00 55.02 ATOM 853 C VAL 52 7.530 -31.195 -29.392 1.00 3.34 ATOM 854 O VAL 52 8.513 -31.005 -30.112 1.00 34.41 ATOM 855 N ASP 53 6.359 -31.629 -29.867 1.00 22.22 ATOM 856 HN ASP 53 5.632 -31.816 -29.237 1.00 38.14 ATOM 857 CA ASP 53 6.132 -31.853 -31.303 1.00 42.01 ATOM 858 HA ASP 53 5.116 -32.197 -31.425 1.00 23.22 ATOM 859 CB ASP 53 6.302 -30.520 -32.059 1.00 24.53 ATOM 860 HB1 ASP 53 7.345 -30.231 -32.028 1.00 38.14 ATOM 861 HB2 ASP 53 5.714 -29.760 -31.565 1.00 50.41 ATOM 862 CG ASP 53 5.862 -30.589 -33.513 1.00 53.53 ATOM 863 OD1 ASP 53 6.691 -30.316 -34.407 1.00 73.35 ATOM 864 OD2 ASP 53 4.681 -30.907 -33.767 1.00 52.45 ATOM 865 C ASP 53 7.086 -32.944 -31.845 1.00 60.51 ATOM 866 O ASP 53 7.407 -32.990 -33.034 1.00 2.24 ATOM 867 N GLY 54 7.504 -33.848 -30.958 1.00 42.43 ATOM 868 HN GLY 54 7.143 -33.819 -30.046 1.00 38.14 ATOM 869 CA GLY 54 8.457 -34.892 -31.326 1.00 40.44 ATOM 870 HA1 GLY 54 8.407 -35.056 -32.394 1.00 38.14 ATOM 871 HA2 GLY 54 8.176 -35.807 -30.823 1.00 51.22 ATOM 872 C GLY 54 9.899 -34.549 -30.951 1.00 51.43 ATOM 873 O GLY 54 10.743 -35.437 -30.831 1.00 50.12 ATOM 874 N GLN 55 10.172 -33.261 -30.752 1.00 13.33 ATOM 875 HN GLN 55 9.445 -32.608 -30.826 1.00 38.14 ATOM 876 CA GLN 55 11.522 -32.780 -30.420 1.00 23.13 ATOM 877 HA GLN 55 12.239 -33.469 -30.840 1.00 42.13 ATOM 878 CB GLN 55 11.734 -31.393 -31.041 1.00 73.25 ATOM 879 HB1 GLN 55 12.712 -31.029 -30.759 1.00 38.14 ATOM 880 HB2 GLN 55 10.984 -30.720 -30.648 1.00 33.34 ATOM 881 CG GLN 55 11.639 -31.378 -32.563 1.00 54.11 ATOM 882 HG1 GLN 55 10.756 -31.927 -32.861 1.00 38.14 ATOM 883 HG2 GLN 55 12.515 -31.859 -32.972 1.00 32.33 ATOM 884 CD GLN 55 11.547 -29.973 -33.130 1.00 44.11 ATOM 885 OE1 GLN 55 12.554 -29.328 -33.406 1.00 34.00 ATOM 886 NE2 GLN 55 10.336 -29.491 -33.311 1.00 24.33 ATOM 887 HE21 GLN 55 9.574 -30.056 -33.073 1.00 64.13 ATOM 888 HE22 GLN 55 10.248 -28.589 -33.681 1.00 23.04 ATOM 889 C GLN 55 11.729 -32.700 -28.898 1.00 0.35 ATOM 890 O GLN 55 10.980 -32.024 -28.201 1.00 14.54 ATOM 891 N LYS 56 12.750 -33.385 -28.387 1.00 61.10 ATOM 892 HN LYS 56 13.336 -33.891 -28.993 1.00 38.14 ATOM 893 CA LYS 56 13.015 -33.411 -26.938 1.00 3.50 ATOM 894 HA LYS 56 12.069 -33.263 -26.432 1.00 5.12 ATOM 895 CB LYS 56 13.584 -34.777 -26.512 1.00 10.40 ATOM 896 HB1 LYS 56 13.900 -34.714 -25.479 1.00 38.14 ATOM 897 HB2 LYS 56 14.447 -34.999 -27.124 1.00 43.00 ATOM 898 CG LYS 56 12.599 -35.943 -26.636 1.00 65.54 ATOM 899 HG1 LYS 56 11.666 -35.664 -26.163 1.00 38.14 ATOM 900 HG2 LYS 56 13.010 -36.804 -26.130 1.00 14.42 ATOM 901 CD LYS 56 12.323 -36.311 -28.091 1.00 11.52 ATOM 902 HD1 LYS 56 13.261 -36.538 -28.579 1.00 38.14 ATOM 903 HD2 LYS 56 11.859 -35.467 -28.583 1.00 53.11 ATOM 904 CE LYS 56 11.399 -37.517 -28.214 1.00 24.50 ATOM 905 HE1 LYS 56 10.466 -37.297 -27.713 1.00 38.14 ATOM 906 HE2 LYS 56 11.869 -38.367 -27.740 1.00 15.41 ATOM 907 NZ LYS 56 11.117 -37.858 -29.636 1.00 41.53 ATOM 908 HZ1 LYS 56 10.673 -37.051 -30.118 1.00 21.54 ATOM 909 HZ2 LYS 56 10.473 -38.674 -29.689 1.00 34.12 ATOM 910 HZ3 LYS 56 12.000 -38.098 -30.128 1.00 10.21 ATOM 911 C LYS 56 13.979 -32.289 -26.506 1.00 74.24 ATOM 912 O LYS 56 15.032 -32.088 -27.117 1.00 54.04 ATOM 913 N PHE 57 13.610 -31.566 -25.444 1.00 44.32 ATOM 914 HN PHE 57 12.752 -31.766 -25.013 1.00 38.14 ATOM 915 CA PHE 57 14.439 -30.478 -24.897 1.00 2.24 ATOM 916 HA PHE 57 15.408 -30.520 -25.377 1.00 14.01 ATOM 917 CB PHE 57 13.794 -29.117 -25.191 1.00 15.24 ATOM 918 HB1 PHE 57 14.414 -28.335 -24.770 1.00 38.14 ATOM 919 HB2 PHE 57 12.822 -29.083 -24.722 1.00 40.14 ATOM 920 CG PHE 57 13.613 -28.825 -26.663 1.00 1.14 ATOM 921 CD1 PHE 57 12.407 -29.095 -27.296 1.00 13.55 ATOM 922 HD1 PHE 57 11.591 -29.515 -26.724 1.00 43.04 ATOM 923 CD2 PHE 57 14.650 -28.283 -27.412 1.00 4.31 ATOM 924 HD2 PHE 57 15.594 -28.067 -26.934 1.00 45.10 ATOM 925 CE1 PHE 57 12.239 -28.828 -28.643 1.00 74.34 ATOM 926 HE1 PHE 57 11.295 -29.043 -29.124 1.00 52.11 ATOM 927 CE2 PHE 57 14.485 -28.015 -28.757 1.00 23.53 ATOM 928 HE2 PHE 57 15.300 -27.593 -29.328 1.00 20.04 ATOM 929 CZ PHE 57 13.280 -28.290 -29.373 1.00 2.21 ATOM 930 HZ PHE 57 13.151 -28.082 -30.426 1.00 20.33 ATOM 931 C PHE 57 14.630 -30.636 -23.376 1.00 21.21 ATOM 932 O PHE 57 13.666 -30.850 -22.643 1.00 51.23 ATOM 933 N GLN 58 15.875 -30.528 -22.908 1.00 13.45 ATOM 934 HN GLN 58 16.606 -30.355 -23.539 1.00 38.14 ATOM 935 CA GLN 58 16.190 -30.671 -21.475 1.00 50.24 ATOM 936 HA GLN 58 15.312 -31.068 -20.983 1.00 55.53 ATOM 937 CB GLN 58 17.348 -31.661 -21.284 1.00 14.35 ATOM 938 HB1 GLN 58 17.705 -31.589 -20.265 1.00 38.14 ATOM 939 HB2 GLN 58 18.151 -31.392 -21.956 1.00 44.32 ATOM 940 CG GLN 58 16.972 -33.114 -21.549 1.00 23.33 ATOM 941 HG1 GLN 58 16.562 -33.190 -22.547 1.00 38.14 ATOM 942 HG2 GLN 58 16.225 -33.413 -20.832 1.00 1.14 ATOM 943 CD GLN 58 18.155 -34.060 -21.436 1.00 65.53 ATOM 944 OE1 GLN 58 19.106 -33.803 -20.709 1.00 40.14 ATOM 945 NE2 GLN 58 18.093 -35.174 -22.129 1.00 4.01 ATOM 946 HE21 GLN 58 17.296 -35.333 -22.676 1.00 4.43 ATOM 947 HE22 GLN 58 18.846 -35.793 -22.072 1.00 63.12 ATOM 948 C GLN 58 16.554 -29.327 -20.814 1.00 40.23 ATOM 949 O GLN 58 17.176 -28.458 -21.431 1.00 21.02 ATOM 950 N GLY 59 16.174 -29.179 -19.544 1.00 0.52 ATOM 951 HN GLY 59 15.662 -29.900 -19.117 1.00 38.14 ATOM 952 CA GLY 59 16.497 -27.976 -18.780 1.00 41.34 ATOM 953 HA1 GLY 59 15.677 -27.278 -18.871 1.00 38.14 ATOM 954 HA2 GLY 59 17.388 -27.522 -19.192 1.00 3.02 ATOM 955 C GLY 59 16.733 -28.266 -17.299 1.00 32.21 ATOM 956 O GLY 59 16.236 -29.264 -16.771 1.00 1.44 ATOM 957 N ALA 60 17.482 -27.393 -16.627 1.00 2.33 ATOM 958 HN ALA 60 17.804 -26.592 -17.089 1.00 38.14 ATOM 959 CA ALA 60 17.836 -27.590 -15.212 1.00 1.33 ATOM 960 HA ALA 60 17.432 -28.543 -14.896 1.00 22.10 ATOM 961 CB ALA 60 19.354 -27.651 -15.059 1.00 4.12 ATOM 962 HB1 ALA 60 19.782 -26.695 -15.324 1.00 44.31 ATOM 963 HB2 ALA 60 19.752 -28.414 -15.712 1.00 33.42 ATOM 964 HB3 ALA 60 19.607 -27.888 -14.035 1.00 13.33 ATOM 965 C ALA 60 17.256 -26.485 -14.310 1.00 41.43 ATOM 966 O ALA 60 17.172 -25.325 -14.709 1.00 50.34 ATOM 967 N GLY 61 16.864 -26.858 -13.089 1.00 20.02 ATOM 968 HN GLY 61 16.956 -27.798 -12.827 1.00 38.14 ATOM 969 CA GLY 61 16.304 -25.892 -12.142 1.00 15.52 ATOM 970 HA1 GLY 61 15.255 -25.759 -12.363 1.00 38.14 ATOM 971 HA2 GLY 61 16.809 -24.945 -12.268 1.00 72.44 ATOM 972 C GLY 61 16.444 -26.330 -10.683 1.00 3.22 ATOM 973 O GLY 61 16.938 -27.418 -10.404 1.00 74.45 ATOM 974 N SER 62 15.997 -25.487 -9.749 1.00 21.22 ATOM 975 HN SER 62 15.598 -24.637 -10.030 1.00 38.14 ATOM 976 CA SER 62 16.115 -25.780 -8.301 1.00 3.53 ATOM 977 HA SER 62 17.144 -26.051 -8.108 1.00 10.25 ATOM 978 CB SER 62 15.778 -24.531 -7.473 1.00 15.02 ATOM 979 HB1 SER 62 15.921 -24.746 -6.423 1.00 38.14 ATOM 980 HB2 SER 62 14.748 -24.252 -7.645 1.00 75.35 ATOM 981 OG SER 62 16.610 -23.439 -7.830 1.00 73.32 ATOM 982 HG SER 62 17.534 -23.710 -7.781 1.00 3.25 ATOM 983 C SER 62 15.212 -26.943 -7.850 1.00 23.20 ATOM 984 O SER 62 15.367 -27.472 -6.752 1.00 35.03 ATOM 985 N ASN 63 14.257 -27.317 -8.693 1.00 74.12 ATOM 986 HN ASN 63 14.167 -26.836 -9.540 1.00 38.14 ATOM 987 CA ASN 63 13.339 -28.433 -8.412 1.00 54.11 ATOM 988 HA ASN 63 13.927 -29.252 -8.018 1.00 33.53 ATOM 989 CB ASN 63 12.279 -28.030 -7.373 1.00 53.25 ATOM 990 HB1 ASN 63 12.752 -27.933 -6.405 1.00 38.14 ATOM 991 HB2 ASN 63 11.520 -28.799 -7.318 1.00 13.34 ATOM 992 CG ASN 63 11.604 -26.716 -7.711 1.00 55.41 ATOM 993 OD1 ASN 63 10.679 -26.665 -8.514 1.00 70.22 ATOM 994 ND2 ASN 63 12.049 -25.643 -7.087 1.00 73.20 ATOM 995 HD21 ASN 63 12.784 -25.752 -6.445 1.00 40.43 ATOM 996 HD22 ASN 63 11.623 -24.787 -7.286 1.00 14.20 ATOM 997 C ASN 63 12.666 -28.897 -9.707 1.00 53.12 ATOM 998 O ASN 63 12.880 -28.296 -10.757 1.00 31.51 ATOM 999 N LYS 64 11.858 -29.959 -9.638 1.00 52.52 ATOM 1000 HN LYS 64 11.724 -30.406 -8.773 1.00 38.14 ATOM 1001 CA LYS 64 11.170 -30.476 -10.834 1.00 42.05 ATOM 1002 HA LYS 64 11.934 -30.844 -11.506 1.00 71.23 ATOM 1003 CB LYS 64 10.234 -31.642 -10.474 1.00 0.21 ATOM 1004 HB1 LYS 64 9.538 -31.795 -11.289 1.00 38.14 ATOM 1005 HB2 LYS 64 9.676 -31.377 -9.587 1.00 20.45 ATOM 1006 CG LYS 64 10.951 -32.965 -10.208 1.00 44.13 ATOM 1007 HG1 LYS 64 11.562 -32.864 -9.321 1.00 38.14 ATOM 1008 HG2 LYS 64 11.581 -33.199 -11.057 1.00 1.33 ATOM 1009 CD LYS 64 9.953 -34.104 -10.003 1.00 64.20 ATOM 1010 HD1 LYS 64 9.262 -34.119 -10.837 1.00 38.14 ATOM 1011 HD2 LYS 64 9.403 -33.925 -9.090 1.00 31.44 ATOM 1012 CE LYS 64 10.634 -35.466 -9.904 1.00 63.01 ATOM 1013 HE1 LYS 64 11.223 -35.627 -10.797 1.00 38.14 ATOM 1014 HE2 LYS 64 9.874 -36.231 -9.836 1.00 13.44 ATOM 1015 NZ LYS 64 11.521 -35.573 -8.716 1.00 25.21 ATOM 1016 HZ1 LYS 64 11.027 -35.239 -7.865 1.00 13.23 ATOM 1017 HZ2 LYS 64 12.384 -35.008 -8.850 1.00 5.23 ATOM 1018 HZ3 LYS 64 11.799 -36.565 -8.569 1.00 34.43 ATOM 1019 C LYS 64 10.378 -29.377 -11.564 1.00 12.42 ATOM 1020 O LYS 64 10.462 -29.252 -12.784 1.00 61.13 ATOM 1021 N LYS 65 9.622 -28.580 -10.810 1.00 43.42 ATOM 1022 HN LYS 65 9.600 -28.724 -9.842 1.00 38.14 ATOM 1023 CA LYS 65 8.826 -27.485 -11.387 1.00 31.42 ATOM 1024 HA LYS 65 8.122 -27.918 -12.084 1.00 33.21 ATOM 1025 CB LYS 65 8.048 -26.759 -10.278 1.00 74.02 ATOM 1026 HB1 LYS 65 7.536 -25.909 -10.711 1.00 38.14 ATOM 1027 HB2 LYS 65 8.752 -26.402 -9.540 1.00 70.12 ATOM 1028 CG LYS 65 7.012 -27.628 -9.566 1.00 33.04 ATOM 1029 HG1 LYS 65 7.479 -28.554 -9.263 1.00 38.14 ATOM 1030 HG2 LYS 65 6.203 -27.842 -10.250 1.00 72.10 ATOM 1031 CD LYS 65 6.444 -26.934 -8.326 1.00 73.41 ATOM 1032 HD1 LYS 65 7.245 -26.780 -7.614 1.00 38.14 ATOM 1033 HD2 LYS 65 5.693 -27.574 -7.886 1.00 52.04 ATOM 1034 CE LYS 65 5.808 -25.586 -8.658 1.00 3.20 ATOM 1035 HE1 LYS 65 6.532 -24.980 -9.183 1.00 38.14 ATOM 1036 HE2 LYS 65 5.534 -25.094 -7.735 1.00 24.43 ATOM 1037 NZ LYS 65 4.592 -25.727 -9.504 1.00 2.04 ATOM 1038 HZ1 LYS 65 3.821 -26.164 -8.956 1.00 23.21 ATOM 1039 HZ2 LYS 65 4.790 -26.329 -10.327 1.00 61.43 ATOM 1040 HZ3 LYS 65 4.278 -24.794 -9.839 1.00 43.31 ATOM 1041 C LYS 65 9.714 -26.478 -12.142 1.00 22.43 ATOM 1042 O LYS 65 9.477 -26.168 -13.311 1.00 61.22 ATOM 1043 N VAL 66 10.744 -25.977 -11.461 1.00 73.20 ATOM 1044 HN VAL 66 10.883 -26.266 -10.533 1.00 38.14 ATOM 1045 CA VAL 66 11.672 -25.005 -12.053 1.00 21.33 ATOM 1046 HA VAL 66 11.084 -24.176 -12.424 1.00 71.13 ATOM 1047 CB VAL 66 12.659 -24.456 -10.990 1.00 14.12 ATOM 1048 HB VAL 66 13.245 -25.284 -10.615 1.00 43.50 ATOM 1049 CG1 VAL 66 13.618 -23.437 -11.604 1.00 64.30 ATOM 1050 HG11 VAL 66 14.192 -23.907 -12.390 1.00 64.12 ATOM 1051 HG12 VAL 66 14.290 -23.068 -10.843 1.00 54.13 ATOM 1052 HG13 VAL 66 13.054 -22.612 -12.015 1.00 3.01 ATOM 1053 CG2 VAL 66 11.900 -23.842 -9.814 1.00 11.12 ATOM 1054 HG21 VAL 66 11.280 -24.595 -9.348 1.00 71.40 ATOM 1055 HG22 VAL 66 11.277 -23.032 -10.167 1.00 75.51 ATOM 1056 HG23 VAL 66 12.605 -23.462 -9.089 1.00 1.34 ATOM 1057 C VAL 66 12.461 -25.612 -13.229 1.00 74.52 ATOM 1058 O VAL 66 12.713 -24.945 -14.232 1.00 33.31 ATOM 1059 N ALA 67 12.839 -26.879 -13.103 1.00 64.25 ATOM 1060 HN ALA 67 12.629 -27.356 -12.276 1.00 38.14 ATOM 1061 CA ALA 67 13.551 -27.584 -14.173 1.00 73.52 ATOM 1062 HA ALA 67 14.426 -27.001 -14.426 1.00 23.41 ATOM 1063 CB ALA 67 14.017 -28.949 -13.687 1.00 30.51 ATOM 1064 HB1 ALA 67 13.160 -29.545 -13.407 1.00 54.12 ATOM 1065 HB2 ALA 67 14.665 -28.826 -12.831 1.00 72.33 ATOM 1066 HB3 ALA 67 14.558 -29.449 -14.479 1.00 70.15 ATOM 1067 C ALA 67 12.670 -27.727 -15.421 1.00 55.20 ATOM 1068 O ALA 67 13.133 -27.533 -16.543 1.00 42.14 ATOM 1069 N LYS 68 11.397 -28.068 -15.213 1.00 53.42 ATOM 1070 HN LYS 68 11.110 -28.308 -14.306 1.00 38.14 ATOM 1071 CA LYS 68 10.414 -28.100 -16.304 1.00 4.34 ATOM 1072 HA LYS 68 10.763 -28.808 -17.043 1.00 3.01 ATOM 1073 CB LYS 68 9.043 -28.557 -15.779 1.00 74.23 ATOM 1074 HB1 LYS 68 8.303 -28.409 -16.556 1.00 38.14 ATOM 1075 HB2 LYS 68 8.779 -27.950 -14.924 1.00 62.31 ATOM 1076 CG LYS 68 9.003 -30.023 -15.354 1.00 72.04 ATOM 1077 HG1 LYS 68 9.831 -30.212 -14.684 1.00 38.14 ATOM 1078 HG2 LYS 68 9.107 -30.643 -16.232 1.00 55.33 ATOM 1079 CD LYS 68 7.699 -30.388 -14.643 1.00 3.24 ATOM 1080 HD1 LYS 68 7.599 -29.770 -13.760 1.00 38.14 ATOM 1081 HD2 LYS 68 7.743 -31.427 -14.347 1.00 53.41 ATOM 1082 CE LYS 68 6.474 -30.182 -15.530 1.00 13.13 ATOM 1083 HE1 LYS 68 6.611 -30.734 -16.449 1.00 38.14 ATOM 1084 HE2 LYS 68 6.378 -29.129 -15.755 1.00 13.41 ATOM 1085 NZ LYS 68 5.228 -30.649 -14.866 1.00 45.41 ATOM 1086 HZ1 LYS 68 4.408 -30.505 -15.491 1.00 21.24 ATOM 1087 HZ2 LYS 68 5.071 -30.123 -13.982 1.00 42.00 ATOM 1088 HZ3 LYS 68 5.301 -31.661 -14.641 1.00 23.44 ATOM 1089 C LYS 68 10.288 -26.720 -16.965 1.00 24.51 ATOM 1090 O LYS 68 10.058 -26.616 -18.169 1.00 62.34 ATOM 1091 N ALA 69 10.437 -25.663 -16.164 1.00 14.24 ATOM 1092 HN ALA 69 10.562 -25.813 -15.203 1.00 38.14 ATOM 1093 CA ALA 69 10.405 -24.288 -16.674 1.00 30.23 ATOM 1094 HA ALA 69 9.464 -24.154 -17.190 1.00 50.01 ATOM 1095 CB ALA 69 10.453 -23.289 -15.520 1.00 33.43 ATOM 1096 HB1 ALA 69 9.631 -23.480 -14.844 1.00 63.15 ATOM 1097 HB2 ALA 69 10.372 -22.283 -15.908 1.00 11.52 ATOM 1098 HB3 ALA 69 11.387 -23.395 -14.988 1.00 44.11 ATOM 1099 C ALA 69 11.549 -24.024 -17.666 1.00 10.02 ATOM 1100 O ALA 69 11.320 -23.533 -18.773 1.00 40.14 ATOM 1101 N TYR 70 12.780 -24.351 -17.267 1.00 33.31 ATOM 1102 HN TYR 70 12.909 -24.710 -16.363 1.00 38.14 ATOM 1103 CA TYR 70 13.946 -24.177 -18.148 1.00 52.34 ATOM 1104 HA TYR 70 13.896 -23.173 -18.545 1.00 11.33 ATOM 1105 CB TYR 70 15.254 -24.320 -17.353 1.00 24.25 ATOM 1106 HB1 TYR 70 16.080 -24.427 -18.042 1.00 38.14 ATOM 1107 HB2 TYR 70 15.197 -25.203 -16.730 1.00 64.01 ATOM 1108 CG TYR 70 15.543 -23.127 -16.454 1.00 40.01 ATOM 1109 CD1 TYR 70 15.002 -23.042 -15.176 1.00 13.42 ATOM 1110 HD1 TYR 70 14.370 -23.843 -14.819 1.00 12.21 ATOM 1111 CD2 TYR 70 16.356 -22.082 -16.889 1.00 63.14 ATOM 1112 HD2 TYR 70 16.785 -22.128 -17.880 1.00 72.44 ATOM 1113 CE1 TYR 70 15.259 -21.956 -14.360 1.00 64.12 ATOM 1114 HE1 TYR 70 14.828 -21.911 -13.371 1.00 4.23 ATOM 1115 CE2 TYR 70 16.617 -20.993 -16.077 1.00 44.22 ATOM 1116 HE2 TYR 70 17.252 -20.193 -16.435 1.00 64.44 ATOM 1117 CZ TYR 70 16.067 -20.935 -14.812 1.00 14.25 ATOM 1118 OH TYR 70 16.327 -19.854 -13.997 1.00 43.23 ATOM 1119 HH TYR 70 16.485 -20.167 -13.095 1.00 54.33 ATOM 1120 C TYR 70 13.916 -25.156 -19.334 1.00 21.45 ATOM 1121 O TYR 70 14.390 -24.836 -20.425 1.00 73.11 ATOM 1122 N ALA 71 13.353 -26.345 -19.121 1.00 3.53 ATOM 1123 HN ALA 71 13.079 -26.586 -18.211 1.00 38.14 ATOM 1124 CA ALA 71 13.140 -27.303 -20.211 1.00 33.41 ATOM 1125 HA ALA 71 14.096 -27.492 -20.679 1.00 4.13 ATOM 1126 CB ALA 71 12.608 -28.623 -19.659 1.00 54.13 ATOM 1127 HB1 ALA 71 12.512 -29.340 -20.462 1.00 10.05 ATOM 1128 HB2 ALA 71 11.642 -28.463 -19.203 1.00 71.24 ATOM 1129 HB3 ALA 71 13.295 -29.005 -18.918 1.00 41.12 ATOM 1130 C ALA 71 12.176 -26.725 -21.256 1.00 75.04 ATOM 1131 O ALA 71 12.425 -26.788 -22.462 1.00 74.23 ATOM 1132 N ALA 72 11.080 -26.146 -20.773 1.00 50.14 ATOM 1133 HN ALA 72 10.910 -26.183 -19.810 1.00 38.14 ATOM 1134 CA ALA 72 10.118 -25.461 -21.635 1.00 71.41 ATOM 1135 HA ALA 72 9.789 -26.162 -22.391 1.00 54.11 ATOM 1136 CB ALA 72 8.902 -25.031 -20.823 1.00 34.31 ATOM 1137 HB1 ALA 72 8.166 -24.589 -21.480 1.00 61.41 ATOM 1138 HB2 ALA 72 9.201 -24.306 -20.080 1.00 23.15 ATOM 1139 HB3 ALA 72 8.473 -25.893 -20.331 1.00 24.34 ATOM 1140 C ALA 72 10.762 -24.249 -22.325 1.00 10.15 ATOM 1141 O ALA 72 10.502 -23.980 -23.497 1.00 53.22 ATOM 1142 N LEU 73 11.607 -23.526 -21.588 1.00 53.21 ATOM 1143 HN LEU 73 11.713 -23.747 -20.638 1.00 38.14 ATOM 1144 CA LEU 73 12.376 -22.406 -22.150 1.00 31.02 ATOM 1145 HA LEU 73 11.666 -21.665 -22.496 1.00 31.23 ATOM 1146 CB LEU 73 13.267 -21.770 -21.070 1.00 13.43 ATOM 1147 HB1 LEU 73 14.088 -21.263 -21.557 1.00 38.14 ATOM 1148 HB2 LEU 73 13.671 -22.565 -20.459 1.00 64.12 ATOM 1149 CG LEU 73 12.566 -20.767 -20.140 1.00 2.02 ATOM 1150 HG LEU 73 11.714 -21.247 -19.679 1.00 3.44 ATOM 1151 CD1 LEU 73 13.507 -20.311 -19.027 1.00 35.12 ATOM 1152 HD11 LEU 73 12.990 -19.616 -18.381 1.00 5.45 ATOM 1153 HD12 LEU 73 14.371 -19.825 -19.460 1.00 71.15 ATOM 1154 HD13 LEU 73 13.827 -21.167 -18.451 1.00 44.31 ATOM 1155 CD2 LEU 73 12.061 -19.565 -20.933 1.00 13.42 ATOM 1156 HD21 LEU 73 11.356 -19.897 -21.680 1.00 74.04 ATOM 1157 HD22 LEU 73 12.893 -19.073 -21.416 1.00 21.21 ATOM 1158 HD23 LEU 73 11.573 -18.871 -20.263 1.00 40.01 ATOM 1159 C LEU 73 13.234 -22.854 -23.342 1.00 12.22 ATOM 1160 O LEU 73 13.285 -22.174 -24.365 1.00 75.13 ATOM 1161 N ALA 74 13.903 -23.999 -23.204 1.00 72.44 ATOM 1162 HN ALA 74 13.859 -24.476 -22.345 1.00 38.14 ATOM 1163 CA ALA 74 14.711 -24.562 -24.294 1.00 53.53 ATOM 1164 HA ALA 74 15.490 -23.850 -24.532 1.00 12.50 ATOM 1165 CB ALA 74 15.377 -25.860 -23.842 1.00 65.33 ATOM 1166 HB1 ALA 74 14.619 -26.595 -23.612 1.00 25.22 ATOM 1167 HB2 ALA 74 15.974 -25.673 -22.960 1.00 33.14 ATOM 1168 HB3 ALA 74 16.012 -26.234 -24.632 1.00 72.11 ATOM 1169 C ALA 74 13.861 -24.808 -25.553 1.00 5.54 ATOM 1170 O ALA 74 14.316 -24.606 -26.679 1.00 13.40 ATOM 1171 N ALA 75 12.622 -25.246 -25.348 1.00 60.13 ATOM 1172 HN ALA 75 12.332 -25.436 -24.428 1.00 38.14 ATOM 1173 CA ALA 75 11.683 -25.470 -26.451 1.00 53.35 ATOM 1174 HA ALA 75 12.209 -26.001 -27.233 1.00 44.41 ATOM 1175 CB ALA 75 10.532 -26.349 -25.978 1.00 51.32 ATOM 1176 HB1 ALA 75 9.885 -26.580 -26.813 1.00 35.10 ATOM 1177 HB2 ALA 75 9.966 -25.828 -25.218 1.00 64.42 ATOM 1178 HB3 ALA 75 10.926 -27.266 -25.564 1.00 3.10 ATOM 1179 C ALA 75 11.146 -24.147 -27.023 1.00 64.24 ATOM 1180 O ALA 75 10.992 -23.999 -28.237 1.00 73.02 ATOM 1181 N LEU 76 10.863 -23.190 -26.143 1.00 12.12 ATOM 1182 HN LEU 76 11.009 -23.365 -25.190 1.00 38.14 ATOM 1183 CA LEU 76 10.337 -21.882 -26.555 1.00 63.50 ATOM 1184 HA LEU 76 9.474 -22.063 -27.182 1.00 34.03 ATOM 1185 CB LEU 76 9.887 -21.080 -25.326 1.00 11.22 ATOM 1186 HB1 LEU 76 9.701 -20.060 -25.634 1.00 38.14 ATOM 1187 HB2 LEU 76 10.698 -21.077 -24.612 1.00 63.54 ATOM 1188 CG LEU 76 8.626 -21.605 -24.618 1.00 72.31 ATOM 1189 HG LEU 76 8.790 -22.633 -24.323 1.00 34.03 ATOM 1190 CD1 LEU 76 8.343 -20.799 -23.355 1.00 33.23 ATOM 1191 HD11 LEU 76 8.179 -19.763 -23.616 1.00 4.45 ATOM 1192 HD12 LEU 76 9.186 -20.871 -22.684 1.00 63.43 ATOM 1193 HD13 LEU 76 7.462 -21.190 -22.867 1.00 64.22 ATOM 1194 CD2 LEU 76 7.422 -21.569 -25.558 1.00 4.11 ATOM 1195 HD21 LEU 76 7.625 -22.176 -26.429 1.00 40.13 ATOM 1196 HD22 LEU 76 7.232 -20.551 -25.866 1.00 34.23 ATOM 1197 HD23 LEU 76 6.553 -21.957 -25.046 1.00 52.22 ATOM 1198 C LEU 76 11.363 -21.076 -27.367 1.00 24.30 ATOM 1199 O LEU 76 11.053 -20.582 -28.443 1.00 54.43 ATOM 1200 N GLU 77 12.584 -20.955 -26.860 1.00 72.15 ATOM 1201 HN GLU 77 12.789 -21.380 -26.001 1.00 38.14 ATOM 1202 CA GLU 77 13.635 -20.196 -27.557 1.00 60.34 ATOM 1203 HA GLU 77 13.261 -19.194 -27.719 1.00 63.51 ATOM 1204 CB GLU 77 14.899 -20.117 -26.683 1.00 60.34 ATOM 1205 HB1 GLU 77 15.675 -19.608 -27.240 1.00 38.14 ATOM 1206 HB2 GLU 77 15.232 -21.121 -26.462 1.00 73.24 ATOM 1207 CG GLU 77 14.702 -19.378 -25.358 1.00 53.31 ATOM 1208 HG1 GLU 77 15.583 -19.526 -24.747 1.00 38.14 ATOM 1209 HG2 GLU 77 13.846 -19.800 -24.852 1.00 22.41 ATOM 1210 CD GLU 77 14.475 -17.881 -25.534 1.00 3.41 ATOM 1211 OE1 GLU 77 15.464 -17.111 -25.478 1.00 2.02 ATOM 1212 OE2 GLU 77 13.312 -17.461 -25.717 1.00 73.45 ATOM 1213 C GLU 77 13.978 -20.818 -28.928 1.00 5.13 ATOM 1214 O GLU 77 14.453 -20.130 -29.830 1.00 20.54 ATOM 1215 N LYS 78 13.724 -22.119 -29.079 1.00 21.22 ATOM 1216 HN LYS 78 13.315 -22.610 -28.337 1.00 38.14 ATOM 1217 CA LYS 78 14.054 -22.839 -30.319 1.00 22.43 ATOM 1218 HA LYS 78 14.886 -22.326 -30.785 1.00 71.24 ATOM 1219 CB LYS 78 14.498 -24.276 -29.966 1.00 14.33 ATOM 1220 HB1 LYS 78 13.630 -24.834 -29.640 1.00 38.14 ATOM 1221 HB2 LYS 78 15.201 -24.226 -29.146 1.00 63.25 ATOM 1222 CG LYS 78 15.167 -25.055 -31.107 1.00 22.21 ATOM 1223 HG1 LYS 78 15.775 -25.841 -30.678 1.00 38.14 ATOM 1224 HG2 LYS 78 15.801 -24.378 -31.661 1.00 32.12 ATOM 1225 CD LYS 78 14.161 -25.680 -32.072 1.00 2.50 ATOM 1226 HD1 LYS 78 13.597 -24.891 -32.550 1.00 38.14 ATOM 1227 HD2 LYS 78 13.487 -26.314 -31.514 1.00 74.11 ATOM 1228 CE LYS 78 14.847 -26.517 -33.149 1.00 10.34 ATOM 1229 HE1 LYS 78 14.089 -26.961 -33.779 1.00 38.14 ATOM 1230 HE2 LYS 78 15.416 -27.302 -32.672 1.00 13.34 ATOM 1231 NZ LYS 78 15.764 -25.707 -33.997 1.00 14.12 ATOM 1232 HZ1 LYS 78 15.252 -24.899 -34.403 1.00 34.35 ATOM 1233 HZ2 LYS 78 16.136 -26.289 -34.777 1.00 62.21 ATOM 1234 HZ3 LYS 78 16.562 -25.352 -33.432 1.00 43.33 ATOM 1235 C LYS 78 12.869 -22.855 -31.311 1.00 53.23 ATOM 1236 O LYS 78 13.048 -22.628 -32.510 1.00 24.14 ATOM 1237 N LEU 79 11.662 -23.128 -30.809 1.00 14.25 ATOM 1238 HN LEU 79 11.565 -23.239 -29.841 1.00 38.14 ATOM 1239 CA LEU 79 10.472 -23.275 -31.670 1.00 31.42 ATOM 1240 HA LEU 79 10.818 -23.444 -32.680 1.00 4.03 ATOM 1241 CB LEU 79 9.656 -24.500 -31.228 1.00 70.21 ATOM 1242 HB1 LEU 79 8.741 -24.528 -31.806 1.00 38.14 ATOM 1243 HB2 LEU 79 9.397 -24.373 -30.185 1.00 32.31 ATOM 1244 CG LEU 79 10.366 -25.856 -31.386 1.00 33.42 ATOM 1245 HG LEU 79 11.283 -25.840 -30.812 1.00 11.01 ATOM 1246 CD1 LEU 79 9.498 -26.991 -30.845 1.00 64.04 ATOM 1247 HD11 LEU 79 8.562 -27.020 -31.385 1.00 15.05 ATOM 1248 HD12 LEU 79 9.303 -26.829 -29.795 1.00 24.30 ATOM 1249 HD13 LEU 79 10.015 -27.932 -30.971 1.00 24.53 ATOM 1250 CD2 LEU 79 10.732 -26.105 -32.850 1.00 40.35 ATOM 1251 HD21 LEU 79 11.257 -27.046 -32.937 1.00 13.21 ATOM 1252 HD22 LEU 79 11.369 -25.307 -33.203 1.00 14.20 ATOM 1253 HD23 LEU 79 9.833 -26.139 -33.449 1.00 61.02 ATOM 1254 C LEU 79 9.568 -22.027 -31.669 1.00 0.01 ATOM 1255 O LEU 79 8.854 -21.777 -32.642 1.00 13.13 ATOM 1256 N PHE 80 9.592 -21.246 -30.585 1.00 73.24 ATOM 1257 HN PHE 80 10.228 -21.448 -29.868 1.00 38.14 ATOM 1258 CA PHE 80 8.694 -20.081 -30.439 1.00 3.15 ATOM 1259 HA PHE 80 8.259 -19.867 -31.405 1.00 25.55 ATOM 1260 CB PHE 80 7.563 -20.418 -29.449 1.00 60.25 ATOM 1261 HB1 PHE 80 6.885 -19.577 -29.391 1.00 38.14 ATOM 1262 HB2 PHE 80 7.992 -20.588 -28.472 1.00 30.40 ATOM 1263 CG PHE 80 6.756 -21.637 -29.819 1.00 11.55 ATOM 1264 CD1 PHE 80 5.789 -21.572 -30.810 1.00 3.43 ATOM 1265 HD1 PHE 80 5.613 -20.635 -31.319 1.00 74.15 ATOM 1266 CD2 PHE 80 6.970 -22.848 -29.176 1.00 71.53 ATOM 1267 HD2 PHE 80 7.720 -22.913 -28.400 1.00 52.14 ATOM 1268 CE1 PHE 80 5.049 -22.687 -31.149 1.00 24.24 ATOM 1269 HE1 PHE 80 4.298 -22.622 -31.922 1.00 24.44 ATOM 1270 CE2 PHE 80 6.232 -23.966 -29.512 1.00 34.11 ATOM 1271 HE2 PHE 80 6.407 -24.902 -29.003 1.00 11.41 ATOM 1272 CZ PHE 80 5.273 -23.885 -30.502 1.00 71.22 ATOM 1273 HZ PHE 80 4.694 -24.758 -30.768 1.00 24.04 ATOM 1274 C PHE 80 9.437 -18.818 -29.946 1.00 75.54 ATOM 1275 O PHE 80 9.044 -18.218 -28.938 1.00 61.44 ATOM 1276 N PRO 81 10.497 -18.369 -30.656 1.00 43.41 ATOM 1277 CA PRO 81 11.309 -17.216 -30.217 1.00 12.42 ATOM 1278 HA PRO 81 11.850 -17.450 -29.308 1.00 73.44 ATOM 1279 CB PRO 81 12.312 -17.011 -31.370 1.00 15.43 ATOM 1280 HB1 PRO 81 13.280 -17.398 -31.081 1.00 38.14 ATOM 1281 HB2 PRO 81 12.399 -15.957 -31.596 1.00 31.41 ATOM 1282 CG PRO 81 11.748 -17.772 -32.527 1.00 33.33 ATOM 1283 HG1 PRO 81 12.549 -18.134 -33.157 1.00 38.14 ATOM 1284 HG2 PRO 81 11.083 -17.136 -33.098 1.00 2.43 ATOM 1285 CD PRO 81 10.987 -18.925 -31.932 1.00 12.02 ATOM 1286 HD1 PRO 81 11.643 -19.767 -31.761 1.00 38.14 ATOM 1287 HD2 PRO 81 10.164 -19.210 -32.574 1.00 52.35 ATOM 1288 C PRO 81 10.472 -15.943 -29.988 1.00 40.52 ATOM 1289 O PRO 81 10.732 -15.177 -29.058 1.00 73.22 ATOM 1290 N ASP 82 9.481 -15.720 -30.862 1.00 44.42 ATOM 1291 HN ASP 82 9.368 -16.349 -31.607 1.00 38.14 ATOM 1292 CA ASP 82 8.551 -14.579 -30.761 1.00 41.34 ATOM 1293 HA ASP 82 7.791 -14.723 -31.517 1.00 72.11 ATOM 1294 CB ASP 82 7.872 -14.567 -29.380 1.00 62.00 ATOM 1295 HB1 ASP 82 8.539 -14.111 -28.662 1.00 38.14 ATOM 1296 HB2 ASP 82 7.672 -15.585 -29.077 1.00 12.33 ATOM 1297 CG ASP 82 6.560 -13.805 -29.377 1.00 23.53 ATOM 1298 OD1 ASP 82 6.489 -12.721 -28.768 1.00 24.32 ATOM 1299 OD2 ASP 82 5.589 -14.298 -29.984 1.00 74.32 ATOM 1300 C ASP 82 9.255 -13.232 -31.041 1.00 54.04 ATOM 1301 O ASP 82 8.634 -12.169 -31.001 1.00 4.05 ATOM 1302 N THR 83 10.548 -13.292 -31.350 1.00 73.45 ATOM 1303 HN THR 83 10.978 -14.168 -31.390 1.00 38.14 ATOM 1304 CA THR 83 11.354 -12.100 -31.649 1.00 1.40 ATOM 1305 HA THR 83 10.777 -11.225 -31.377 1.00 41.24 ATOM 1306 CB THR 83 12.664 -12.100 -30.818 1.00 41.11 ATOM 1307 HB THR 83 13.336 -11.355 -31.225 1.00 53.34 ATOM 1308 OG1 THR 83 13.296 -13.387 -30.893 1.00 14.20 ATOM 1309 HG1 THR 83 13.022 -13.919 -30.136 1.00 41.24 ATOM 1310 CG2 THR 83 12.388 -11.757 -29.357 1.00 44.53 ATOM 1311 HG21 THR 83 11.959 -10.768 -29.293 1.00 1.34 ATOM 1312 HG22 THR 83 13.312 -11.785 -28.798 1.00 52.42 ATOM 1313 HG23 THR 83 11.697 -12.477 -28.943 1.00 1.00 ATOM 1314 C THR 83 11.688 -12.027 -33.151 1.00 65.02 ATOM 1315 O THR 83 11.734 -13.056 -33.827 1.00 41.42 ATOM 1316 N PRO 84 11.919 -10.812 -33.698 1.00 45.43 ATOM 1317 CA PRO 84 12.161 -10.615 -35.148 1.00 4.44 ATOM 1318 HA PRO 84 11.402 -11.107 -35.741 1.00 54.02 ATOM 1319 CB PRO 84 12.025 -9.098 -35.309 1.00 13.43 ATOM 1320 HB1 PRO 84 11.002 -8.850 -35.549 1.00 38.14 ATOM 1321 HB2 PRO 84 12.679 -8.753 -36.099 1.00 63.12 ATOM 1322 CG PRO 84 12.424 -8.541 -33.986 1.00 11.12 ATOM 1323 HG1 PRO 84 11.952 -7.582 -33.832 1.00 38.14 ATOM 1324 HG2 PRO 84 13.500 -8.442 -33.937 1.00 4.52 ATOM 1325 CD PRO 84 11.943 -9.531 -32.959 1.00 20.31 ATOM 1326 HD1 PRO 84 10.953 -9.270 -32.612 1.00 38.14 ATOM 1327 HD2 PRO 84 12.634 -9.578 -32.128 1.00 55.21 ATOM 1328 C PRO 84 13.551 -11.084 -35.629 1.00 4.22 ATOM 1329 O PRO 84 14.343 -10.296 -36.155 1.00 64.14 ATOM 1330 N LEU 85 13.836 -12.369 -35.462 1.00 34.33 ATOM 1331 HN LEU 85 13.188 -12.940 -35.006 1.00 38.14 ATOM 1332 CA LEU 85 15.091 -12.963 -35.935 1.00 33.15 ATOM 1333 HA LEU 85 15.307 -12.527 -36.901 1.00 3.51 ATOM 1334 CB LEU 85 16.254 -12.629 -34.974 1.00 41.22 ATOM 1335 HB1 LEU 85 16.622 -11.644 -35.226 1.00 38.14 ATOM 1336 HB2 LEU 85 17.051 -13.340 -35.149 1.00 34.52 ATOM 1337 CG LEU 85 15.923 -12.641 -33.465 1.00 1.44 ATOM 1338 HG LEU 85 15.125 -11.936 -33.278 1.00 35.13 ATOM 1339 CD1 LEU 85 15.438 -14.014 -33.010 1.00 3.11 ATOM 1340 HD11 LEU 85 15.238 -13.991 -31.949 1.00 74.25 ATOM 1341 HD12 LEU 85 16.196 -14.754 -33.219 1.00 73.24 ATOM 1342 HD13 LEU 85 14.530 -14.265 -33.539 1.00 34.54 ATOM 1343 CD2 LEU 85 17.135 -12.198 -32.646 1.00 52.42 ATOM 1344 HD21 LEU 85 17.436 -11.205 -32.952 1.00 11.42 ATOM 1345 HD22 LEU 85 17.952 -12.886 -32.806 1.00 30.43 ATOM 1346 HD23 LEU 85 16.878 -12.185 -31.596 1.00 22.54 ATOM 1347 C LEU 85 14.951 -14.482 -36.123 1.00 53.04 ATOM 1348 O LEU 85 13.925 -15.073 -35.770 1.00 61.51 ATOM 1349 N ALA 86 15.984 -15.108 -36.678 1.00 61.41 ATOM 1350 HN ALA 86 16.780 -14.586 -36.924 1.00 38.14 ATOM 1351 CA ALA 86 15.967 -16.549 -36.939 1.00 14.23 ATOM 1352 HA ALA 86 14.948 -16.896 -36.815 1.00 20.23 ATOM 1353 CB ALA 86 16.380 -16.826 -38.383 1.00 61.42 ATOM 1354 HB1 ALA 86 16.277 -17.881 -38.594 1.00 23.31 ATOM 1355 HB2 ALA 86 17.409 -16.531 -38.528 1.00 21.04 ATOM 1356 HB3 ALA 86 15.748 -16.262 -39.054 1.00 41.03 ATOM 1357 C ALA 86 16.873 -17.323 -35.963 1.00 14.13 ATOM 1358 O ALA 86 18.094 -17.154 -35.954 1.00 41.41 ATOM 1359 N LEU 87 16.257 -18.158 -35.131 1.00 73.11 ATOM 1360 HN LEU 87 15.278 -18.150 -35.093 1.00 38.14 ATOM 1361 CA LEU 87 16.992 -19.079 -34.252 1.00 41.32 ATOM 1362 HA LEU 87 18.041 -18.813 -34.279 1.00 63.02 ATOM 1363 CB LEU 87 16.472 -18.953 -32.807 1.00 41.01 ATOM 1364 HB1 LEU 87 17.026 -19.643 -32.185 1.00 38.14 ATOM 1365 HB2 LEU 87 15.430 -19.244 -32.795 1.00 21.44 ATOM 1366 CG LEU 87 16.588 -17.549 -32.187 1.00 10.44 ATOM 1367 HG LEU 87 15.976 -16.864 -32.755 1.00 52.21 ATOM 1368 CD1 LEU 87 16.076 -17.544 -30.749 1.00 52.15 ATOM 1369 HD11 LEU 87 16.657 -18.233 -30.154 1.00 30.02 ATOM 1370 HD12 LEU 87 15.038 -17.844 -30.736 1.00 21.30 ATOM 1371 HD13 LEU 87 16.166 -16.548 -30.337 1.00 23.31 ATOM 1372 CD2 LEU 87 18.030 -17.050 -32.249 1.00 15.34 ATOM 1373 HD21 LEU 87 18.354 -17.011 -33.279 1.00 64.13 ATOM 1374 HD22 LEU 87 18.670 -17.721 -31.696 1.00 61.21 ATOM 1375 HD23 LEU 87 18.087 -16.061 -31.818 1.00 14.42 ATOM 1376 C LEU 87 16.831 -20.523 -34.757 1.00 24.42 ATOM 1377 O LEU 87 16.949 -21.488 -33.997 1.00 71.41 ATOM 1378 N ASP 88 16.588 -20.655 -36.060 1.00 22.22 ATOM 1379 HN ASP 88 16.635 -19.862 -36.631 1.00 38.14 ATOM 1380 CA ASP 88 16.265 -21.943 -36.671 1.00 10.30 ATOM 1381 HA ASP 88 15.637 -22.486 -35.978 1.00 73.53 ATOM 1382 CB ASP 88 15.473 -21.705 -37.964 1.00 24.31 ATOM 1383 HB1 ASP 88 16.144 -21.329 -38.725 1.00 38.14 ATOM 1384 HB2 ASP 88 14.705 -20.967 -37.777 1.00 12.52 ATOM 1385 CG ASP 88 14.808 -22.964 -38.484 1.00 43.23 ATOM 1386 OD1 ASP 88 13.779 -23.374 -37.908 1.00 43.20 ATOM 1387 OD2 ASP 88 15.294 -23.539 -39.478 1.00 53.31 ATOM 1388 C ASP 88 17.527 -22.782 -36.945 1.00 15.34 ATOM 1389 O ASP 88 18.032 -22.831 -38.068 1.00 35.21 ATOM 1390 N ALA 89 18.046 -23.417 -35.899 1.00 21.51 ATOM 1391 HN ALA 89 17.646 -23.276 -35.013 1.00 38.14 ATOM 1392 CA ALA 89 19.207 -24.303 -36.024 1.00 23.34 ATOM 1393 HA ALA 89 19.703 -24.078 -36.961 1.00 14.44 ATOM 1394 CB ALA 89 20.196 -24.042 -34.891 1.00 64.13 ATOM 1395 HB1 ALA 89 21.064 -24.674 -35.015 1.00 61.24 ATOM 1396 HB2 ALA 89 19.727 -24.259 -33.942 1.00 35.25 ATOM 1397 HB3 ALA 89 20.502 -23.005 -34.910 1.00 62.20 ATOM 1398 C ALA 89 18.777 -25.778 -36.031 1.00 2.33 ATOM 1399 O ALA 89 18.182 -26.267 -35.065 1.00 10.33 ATOM 1400 N ASN 90 19.073 -26.484 -37.120 1.00 74.05 ATOM 1401 HN ASN 90 19.549 -26.044 -37.856 1.00 38.14 ATOM 1402 CA ASN 90 18.718 -27.903 -37.244 1.00 11.34 ATOM 1403 HA ASN 90 17.823 -28.070 -36.657 1.00 31.44 ATOM 1404 CB ASN 90 18.411 -28.251 -38.709 1.00 52.23 ATOM 1405 HB1 ASN 90 17.535 -27.702 -39.024 1.00 38.14 ATOM 1406 HB2 ASN 90 18.211 -29.310 -38.789 1.00 15.24 ATOM 1407 CG ASN 90 19.556 -27.906 -39.645 1.00 72.42 ATOM 1408 OD1 ASN 90 20.439 -28.718 -39.892 1.00 52.24 ATOM 1409 ND2 ASN 90 19.546 -26.705 -40.186 1.00 31.01 ATOM 1410 HD21 ASN 90 18.806 -26.102 -39.961 1.00 32.14 ATOM 1411 HD22 ASN 90 20.278 -26.468 -40.788 1.00 24.42 ATOM 1412 C ASN 90 19.830 -28.811 -36.690 1.00 22.43 ATOM 1413 O ASN 90 20.945 -28.354 -36.417 1.00 70.43 ATOM 1414 N LYS 91 19.515 -30.096 -36.529 1.00 73.35 ATOM 1415 HN LYS 91 18.639 -30.408 -36.835 1.00 38.14 ATOM 1416 HA LYS 91 21.338 -30.513 -35.641 1.00 32.02 ATOM 1417 CB LYS 91 19.846 -31.699 -34.649 1.00 72.15 ATOM 1418 HB1 LYS 91 19.650 -30.910 -33.936 1.00 38.14 ATOM 1419 HB2 LYS 91 20.578 -32.369 -34.223 1.00 70.53 ATOM 1420 CG LYS 91 18.547 -32.491 -34.850 1.00 14.14 ATOM 1421 HG1 LYS 91 18.343 -33.055 -33.949 1.00 38.14 ATOM 1422 HG2 LYS 91 18.682 -33.175 -35.674 1.00 14.35 ATOM 1423 CD LYS 91 17.346 -31.593 -35.151 1.00 63.22 ATOM 1424 HD1 LYS 91 17.556 -31.015 -36.040 1.00 38.14 ATOM 1425 HD2 LYS 91 17.191 -30.924 -34.317 1.00 33.21 ATOM 1426 CE LYS 91 16.072 -32.402 -35.377 1.00 44.11 ATOM 1427 HE1 LYS 91 15.252 -31.718 -35.551 1.00 38.14 ATOM 1428 HE2 LYS 91 15.868 -32.986 -34.492 1.00 50.21 ATOM 1429 NZ LYS 91 16.187 -33.318 -36.543 1.00 61.12 ATOM 1430 HZ1 LYS 91 16.958 -34.002 -36.388 1.00 44.22 ATOM 1431 HZ2 LYS 91 16.385 -32.775 -37.408 1.00 62.02 ATOM 1432 HZ3 LYS 91 15.299 -33.841 -36.678 1.00 51.10 ATOM 1433 CA LYS 91 20.449 -31.065 -35.926 1.00 35.43 ATOM 1434 C LYS 91 20.873 -32.162 -36.930 1.00 55.22 ATOM 1435 OT1 LYS 91 19.990 -32.853 -37.485 1.00 38.14 ATOM 1436 OT2 LYS 91 22.093 -32.333 -37.148 1.00 38.14 ATOM 1437 OH2 TIP3 1 0.343 -33.406 -32.722 1.00 0.00 WAT1 ATOM 1438 H1 TIP3 1 0.528 -34.126 -32.086 1.00 0.00 WAT1 ATOM 1439 H2 TIP3 1 1.144 -32.831 -32.672 1.00 0.00 WAT1 ATOM 1440 OH2 TIP3 2 -3.665 -31.947 -33.684 1.00 0.00 WAT1 ATOM 1441 H1 TIP3 2 -2.770 -31.548 -33.569 1.00 0.00 WAT1 ATOM 1442 H2 TIP3 2 -3.540 -32.605 -34.377 1.00 0.00 WAT1 ATOM 1443 OH2 TIP3 3 -0.556 -33.625 -38.387 1.00 0.00 WAT1 ATOM 1444 H1 TIP3 3 -1.137 -33.860 -39.114 1.00 0.00 WAT1 ATOM 1445 H2 TIP3 3 -0.556 -32.644 -38.385 1.00 0.00 WAT1 ATOM 1446 OH2 TIP3 4 -0.366 -30.893 -38.432 1.00 0.00 WAT1 ATOM 1447 H1 TIP3 4 0.483 -30.940 -38.945 1.00 0.00 WAT1 ATOM 1448 H2 TIP3 4 -0.708 -30.012 -38.624 1.00 0.00 WAT1 ATOM 1449 OH2 TIP3 5 -1.532 -36.141 -30.230 1.00 0.00 WAT1 ATOM 1450 H1 TIP3 5 -1.440 -37.123 -30.297 1.00 0.00 WAT1 ATOM 1451 H2 TIP3 5 -1.404 -35.957 -29.288 1.00 0.00 WAT1 ATOM 1452 OH2 TIP3 6 -4.955 -33.336 -31.667 1.00 0.00 WAT1 ATOM 1453 H1 TIP3 6 -4.461 -32.814 -32.330 1.00 0.00 WAT1 ATOM 1454 H2 TIP3 6 -5.838 -32.918 -31.644 1.00 0.00 WAT1 ATOM 1455 OH2 TIP3 7 -4.921 -35.163 -21.093 1.00 0.00 WAT1 ATOM 1456 H1 TIP3 7 -4.056 -35.510 -21.319 1.00 0.00 WAT1 ATOM 1457 H2 TIP3 7 -4.751 -34.570 -20.330 1.00 0.00 WAT1 ATOM 1458 OH2 TIP3 8 -5.988 -32.922 -24.388 1.00 0.00 WAT1 ATOM 1459 H1 TIP3 8 -6.022 -32.165 -23.772 1.00 0.00 WAT1 ATOM 1460 H2 TIP3 8 -5.215 -32.731 -24.956 1.00 0.00 WAT1 ATOM 1461 OH2 TIP3 9 -1.658 -36.061 -16.620 1.00 0.00 WAT1 ATOM 1462 H1 TIP3 9 -1.404 -36.388 -15.723 1.00 0.00 WAT1 ATOM 1463 H2 TIP3 9 -2.417 -35.464 -16.452 1.00 0.00 WAT1 ATOM 1464 OH2 TIP3 10 -7.208 -34.609 -22.566 1.00 0.00 WAT1 ATOM 1465 H1 TIP3 10 -6.728 -34.098 -23.244 1.00 0.00 WAT1 ATOM 1466 H2 TIP3 10 -6.497 -34.981 -22.001 1.00 0.00 WAT1 ATOM 1467 OH2 TIP3 11 -3.974 -32.237 -26.188 1.00 0.00 WAT1 ATOM 1468 H1 TIP3 11 -3.074 -32.552 -26.343 1.00 0.00 WAT1 ATOM 1469 H2 TIP3 11 -4.522 -32.759 -26.822 1.00 0.00 WAT1 ATOM 1470 OH2 TIP3 12 0.830 -35.136 -17.417 1.00 0.00 WAT1 ATOM 1471 H1 TIP3 12 -0.084 -35.411 -17.196 1.00 0.00 WAT1 ATOM 1472 H2 TIP3 12 1.228 -35.926 -17.801 1.00 0.00 WAT1 ATOM 1473 OH2 TIP3 13 -7.841 -34.353 -25.961 1.00 0.00 WAT1 ATOM 1474 H1 TIP3 13 -8.191 -34.958 -25.295 1.00 0.00 WAT1 ATOM 1475 H2 TIP3 13 -7.268 -33.742 -25.449 1.00 0.00 WAT1 ATOM 1476 OH2 TIP3 14 -1.540 -33.732 -28.301 1.00 0.00 WAT1 ATOM 1477 H1 TIP3 14 -1.020 -32.902 -28.373 1.00 0.00 WAT1 ATOM 1478 H2 TIP3 14 -2.180 -33.680 -29.028 1.00 0.00 WAT1 ATOM 1479 OH2 TIP3 15 4.636 -34.994 -17.725 1.00 0.00 WAT1 ATOM 1480 H1 TIP3 15 4.118 -35.457 -18.429 1.00 0.00 WAT1 ATOM 1481 H2 TIP3 15 5.501 -35.451 -17.720 1.00 0.00 WAT1 ATOM 1482 OH2 TIP3 16 -7.275 -29.906 -29.873 1.00 0.00 WAT1 ATOM 1483 H1 TIP3 16 -6.628 -29.160 -29.860 1.00 0.00 WAT1 ATOM 1484 H2 TIP3 16 -7.129 -30.364 -29.015 1.00 0.00 WAT1 ATOM 1485 OH2 TIP3 17 -5.027 -29.881 -25.199 1.00 0.00 WAT1 ATOM 1486 H1 TIP3 17 -5.130 -30.145 -24.264 1.00 0.00 WAT1 ATOM 1487 H2 TIP3 17 -4.585 -30.651 -25.617 1.00 0.00 WAT1 ATOM 1488 OH2 TIP3 18 -5.033 -30.426 -15.071 1.00 0.00 WAT1 ATOM 1489 H1 TIP3 18 -4.318 -31.096 -15.207 1.00 0.00 WAT1 ATOM 1490 H2 TIP3 18 -5.261 -30.511 -14.140 1.00 0.00 WAT1 ATOM 1491 OH2 TIP3 19 3.172 -35.919 -19.787 1.00 0.00 WAT1 ATOM 1492 H1 TIP3 19 2.820 -35.322 -20.463 1.00 0.00 WAT1 ATOM 1493 H2 TIP3 19 2.454 -36.581 -19.656 1.00 0.00 WAT1 ATOM 1494 OH2 TIP3 20 -9.547 -31.901 -24.582 1.00 0.00 WAT1 ATOM 1495 H1 TIP3 20 -10.498 -31.692 -24.663 1.00 0.00 WAT1 ATOM 1496 H2 TIP3 20 -9.433 -32.141 -23.636 1.00 0.00 WAT1 ATOM 1497 OH2 TIP3 21 -1.074 -38.796 -30.196 1.00 0.00 WAT1 ATOM 1498 H1 TIP3 21 -0.192 -39.055 -29.837 1.00 0.00 WAT1 ATOM 1499 H2 TIP3 21 -1.542 -39.629 -30.291 1.00 0.00 WAT1 ATOM 1500 OH2 TIP3 22 1.347 -39.501 -29.154 1.00 0.00 WAT1 ATOM 1501 H1 TIP3 22 1.675 -38.581 -29.094 1.00 0.00 WAT1 ATOM 1502 H2 TIP3 22 2.054 -40.036 -28.732 1.00 0.00 WAT1 ATOM 1503 OH2 TIP3 23 -5.558 -33.798 -27.688 1.00 0.00 WAT1 ATOM 1504 H1 TIP3 23 -6.216 -34.446 -27.383 1.00 0.00 WAT1 ATOM 1505 H2 TIP3 23 -5.032 -34.286 -28.371 1.00 0.00 WAT1 ATOM 1506 OH2 TIP3 24 -9.406 -32.872 -27.707 1.00 0.00 WAT1 ATOM 1507 H1 TIP3 24 -10.126 -33.449 -27.981 1.00 0.00 WAT1 ATOM 1508 H2 TIP3 24 -8.955 -33.375 -26.988 1.00 0.00 WAT1 ATOM 1509 OH2 TIP3 25 -0.431 -31.604 -16.496 1.00 0.00 WAT1 ATOM 1510 H1 TIP3 25 -0.246 -30.649 -16.652 1.00 0.00 WAT1 ATOM 1511 H2 TIP3 25 0.422 -31.969 -16.204 1.00 0.00 WAT1 ATOM 1512 OH2 TIP3 26 -7.023 -31.502 -27.702 1.00 0.00 WAT1 ATOM 1513 H1 TIP3 26 -6.390 -32.252 -27.744 1.00 0.00 WAT1 ATOM 1514 H2 TIP3 26 -7.902 -31.931 -27.753 1.00 0.00 WAT1 ATOM 1515 OH2 TIP3 27 -3.953 -34.793 -29.644 1.00 0.00 WAT1 ATOM 1516 H1 TIP3 27 -3.266 -35.377 -30.018 1.00 0.00 WAT1 ATOM 1517 H2 TIP3 27 -4.311 -34.310 -30.427 1.00 0.00 WAT1 ATOM 1518 OH2 TIP3 28 -10.083 -30.137 -27.366 1.00 0.00 WAT1 ATOM 1519 H1 TIP3 28 -9.344 -29.991 -26.738 1.00 0.00 WAT1 ATOM 1520 H2 TIP3 28 -9.972 -31.066 -27.651 1.00 0.00 WAT1 ATOM 1521 OH2 TIP3 29 -2.950 -32.074 -15.493 1.00 0.00 WAT1 ATOM 1522 H1 TIP3 29 -3.174 -32.962 -15.836 1.00 0.00 WAT1 ATOM 1523 H2 TIP3 29 -2.015 -31.943 -15.763 1.00 0.00 WAT1 ATOM 1524 OH2 TIP3 30 2.011 -36.839 -28.982 1.00 0.00 WAT1 ATOM 1525 H1 TIP3 30 1.315 -36.476 -28.385 1.00 0.00 WAT1 ATOM 1526 H2 TIP3 30 2.849 -36.673 -28.499 1.00 0.00 WAT1 ATOM 1527 OH2 TIP3 31 1.666 -39.190 -24.117 1.00 0.00 WAT1 ATOM 1528 H1 TIP3 31 2.509 -39.004 -24.600 1.00 0.00 WAT1 ATOM 1529 H2 TIP3 31 0.982 -38.808 -24.684 1.00 0.00 WAT1 ATOM 1530 OH2 TIP3 32 -1.436 -37.531 -18.874 1.00 0.00 WAT1 ATOM 1531 H1 TIP3 32 -2.342 -37.737 -19.113 1.00 0.00 WAT1 ATOM 1532 H2 TIP3 32 -1.518 -37.007 -18.045 1.00 0.00 WAT1 ATOM 1533 OH2 TIP3 33 -3.879 -34.420 -16.618 1.00 0.00 WAT1 ATOM 1534 H1 TIP3 33 -3.992 -34.124 -17.552 1.00 0.00 WAT1 ATOM 1535 H2 TIP3 33 -4.768 -34.666 -16.342 1.00 0.00 WAT1 ATOM 1536 OH2 TIP3 34 -5.632 -30.748 -22.583 1.00 0.00 WAT1 ATOM 1537 H1 TIP3 34 -6.513 -30.374 -22.357 1.00 0.00 WAT1 ATOM 1538 H2 TIP3 34 -5.338 -31.171 -21.750 1.00 0.00 WAT1 ATOM 1539 OH2 TIP3 35 -4.184 -33.369 -19.124 1.00 0.00 WAT1 ATOM 1540 H1 TIP3 35 -4.784 -32.625 -19.354 1.00 0.00 WAT1 ATOM 1541 H2 TIP3 35 -3.291 -32.947 -19.058 1.00 0.00 WAT1 ATOM 1542 OH2 TIP3 36 -1.719 -32.333 -18.815 1.00 0.00 WAT1 ATOM 1543 H1 TIP3 36 -1.331 -32.070 -17.953 1.00 0.00 WAT1 ATOM 1544 H2 TIP3 36 -0.959 -32.580 -19.348 1.00 0.00 WAT1 ATOM 1545 OH2 TIP3 37 -11.455 -35.024 -18.502 1.00 0.00 WAT1 ATOM 1546 H1 TIP3 37 -12.348 -35.228 -18.798 1.00 0.00 WAT1 ATOM 1547 H2 TIP3 37 -11.161 -35.826 -18.059 1.00 0.00 WAT1 ATOM 1548 OH2 TIP3 38 -7.375 -31.961 -31.656 1.00 0.00 WAT1 ATOM 1549 H1 TIP3 38 -8.244 -32.357 -31.544 1.00 0.00 WAT1 ATOM 1550 H2 TIP3 38 -7.337 -31.261 -30.964 1.00 0.00 WAT1 ATOM 1551 OH2 TIP3 39 3.936 -35.267 -15.068 1.00 0.00 WAT1 ATOM 1552 H1 TIP3 39 4.031 -35.225 -16.043 1.00 0.00 WAT1 ATOM 1553 H2 TIP3 39 4.401 -36.098 -14.818 1.00 0.00 WAT1 ATOM 1554 OH2 TIP3 40 2.015 -31.057 -39.642 1.00 0.00 WAT1 ATOM 1555 H1 TIP3 40 2.669 -30.362 -39.441 1.00 0.00 WAT1 ATOM 1556 H2 TIP3 40 2.497 -31.896 -39.470 1.00 0.00 WAT1 ATOM 1557 OH2 TIP3 41 2.836 -26.779 -36.072 1.00 0.00 WAT1 ATOM 1558 H1 TIP3 41 2.550 -25.907 -35.697 1.00 0.00 WAT1 ATOM 1559 H2 TIP3 41 3.009 -26.589 -37.019 1.00 0.00 WAT1 ATOM 1560 OH2 TIP3 42 0.537 -30.457 -35.846 1.00 0.00 WAT1 ATOM 1561 H1 TIP3 42 0.347 -29.506 -35.973 1.00 0.00 WAT1 ATOM 1562 H2 TIP3 42 0.216 -30.874 -36.671 1.00 0.00 WAT1 ATOM 1563 OH2 TIP3 43 0.159 -22.332 -34.835 1.00 0.00 WAT1 ATOM 1564 H1 TIP3 43 -0.163 -21.410 -34.818 1.00 0.00 WAT1 ATOM 1565 H2 TIP3 43 0.213 -22.551 -35.797 1.00 0.00 WAT1 ATOM 1566 OH2 TIP3 44 0.095 -19.762 -30.295 1.00 0.00 WAT1 ATOM 1567 H1 TIP3 44 0.748 -19.061 -30.497 1.00 0.00 WAT1 ATOM 1568 H2 TIP3 44 0.375 -20.520 -30.860 1.00 0.00 WAT1 ATOM 1569 OH2 TIP3 45 -0.260 -27.538 -30.814 1.00 0.00 WAT1 ATOM 1570 H1 TIP3 45 -1.032 -27.601 -31.408 1.00 0.00 WAT1 ATOM 1571 H2 TIP3 45 -0.340 -26.639 -30.423 1.00 0.00 WAT1 ATOM 1572 OH2 TIP3 46 -4.696 -24.088 -33.343 1.00 0.00 WAT1 ATOM 1573 H1 TIP3 46 -3.912 -23.594 -33.661 1.00 0.00 WAT1 ATOM 1574 H2 TIP3 46 -5.036 -23.543 -32.602 1.00 0.00 WAT1 ATOM 1575 OH2 TIP3 47 1.750 -17.695 -31.105 1.00 0.00 WAT1 ATOM 1576 H1 TIP3 47 2.487 -17.054 -31.015 1.00 0.00 WAT1 ATOM 1577 H2 TIP3 47 2.045 -18.292 -31.839 1.00 0.00 WAT1 ATOM 1578 OH2 TIP3 48 1.807 -19.592 -35.498 1.00 0.00 WAT1 ATOM 1579 H1 TIP3 48 1.095 -18.919 -35.525 1.00 0.00 WAT1 ATOM 1580 H2 TIP3 48 1.828 -19.951 -36.389 1.00 0.00 WAT1 ATOM 1581 OH2 TIP3 49 -1.085 -28.369 -34.186 1.00 0.00 WAT1 ATOM 1582 H1 TIP3 49 -1.149 -29.269 -33.815 1.00 0.00 WAT1 ATOM 1583 H2 TIP3 49 -1.604 -27.816 -33.565 1.00 0.00 WAT1 ATOM 1584 OH2 TIP3 50 -1.794 -22.908 -31.194 1.00 0.00 WAT1 ATOM 1585 H1 TIP3 50 -2.454 -22.692 -30.498 1.00 0.00 WAT1 ATOM 1586 H2 TIP3 50 -2.301 -22.855 -32.032 1.00 0.00 WAT1 ATOM 1587 OH2 TIP3 51 -8.213 -26.318 -30.634 1.00 0.00 WAT1 ATOM 1588 H1 TIP3 51 -8.348 -26.996 -31.339 1.00 0.00 WAT1 ATOM 1589 H2 TIP3 51 -9.102 -25.938 -30.495 1.00 0.00 WAT1 ATOM 1590 OH2 TIP3 52 -2.447 -22.601 -33.876 1.00 0.00 WAT1 ATOM 1591 H1 TIP3 52 -1.621 -22.961 -34.251 1.00 0.00 WAT1 ATOM 1592 H2 TIP3 52 -2.395 -21.646 -34.068 1.00 0.00 WAT1 ATOM 1593 OH2 TIP3 53 -8.263 -28.571 -32.146 1.00 0.00 WAT1 ATOM 1594 H1 TIP3 53 -7.976 -29.151 -31.415 1.00 0.00 WAT1 ATOM 1595 H2 TIP3 53 -7.777 -28.900 -32.915 1.00 0.00 WAT1 ATOM 1596 OH2 TIP3 54 -5.916 -26.104 -34.692 1.00 0.00 WAT1 ATOM 1597 H1 TIP3 54 -5.501 -25.374 -34.174 1.00 0.00 WAT1 ATOM 1598 H2 TIP3 54 -6.229 -25.676 -35.491 1.00 0.00 WAT1 ATOM 1599 OH2 TIP3 55 -5.790 -27.680 -30.291 1.00 0.00 WAT1 ATOM 1600 H1 TIP3 55 -5.385 -27.748 -31.183 1.00 0.00 WAT1 ATOM 1601 H2 TIP3 55 -6.496 -27.017 -30.401 1.00 0.00 WAT1 ATOM 1602 OH2 TIP3 56 -4.990 -27.913 -32.898 1.00 0.00 WAT1 ATOM 1603 H1 TIP3 56 -5.354 -27.310 -33.590 1.00 0.00 WAT1 ATOM 1604 H2 TIP3 56 -5.360 -28.793 -33.131 1.00 0.00 WAT1 ATOM 1605 OH2 TIP3 57 3.078 -10.515 -36.753 1.00 0.00 WAT1 ATOM 1606 H1 TIP3 57 2.854 -9.883 -37.443 1.00 0.00 WAT1 ATOM 1607 H2 TIP3 57 3.958 -10.213 -36.423 1.00 0.00 WAT1 ATOM 1608 OH2 TIP3 58 -1.432 -18.229 -32.121 1.00 0.00 WAT1 ATOM 1609 H1 TIP3 58 -1.183 -17.390 -31.686 1.00 0.00 WAT1 ATOM 1610 H2 TIP3 58 -1.065 -18.916 -31.532 1.00 0.00 WAT1 ATOM 1611 OH2 TIP3 59 0.583 -21.880 -31.962 1.00 0.00 WAT1 ATOM 1612 H1 TIP3 59 -0.238 -22.342 -31.669 1.00 0.00 WAT1 ATOM 1613 H2 TIP3 59 0.548 -21.927 -32.937 1.00 0.00 WAT1 ATOM 1614 OH2 TIP3 60 2.325 -24.009 -32.200 1.00 0.00 WAT1 ATOM 1615 H1 TIP3 60 1.865 -23.158 -32.070 1.00 0.00 WAT1 ATOM 1616 H2 TIP3 60 2.265 -24.446 -31.327 1.00 0.00 WAT1 ATOM 1617 OH2 TIP3 61 0.243 -27.723 -36.472 1.00 0.00 WAT1 ATOM 1618 H1 TIP3 61 1.092 -27.374 -36.137 1.00 0.00 WAT1 ATOM 1619 H2 TIP3 61 -0.332 -27.769 -35.672 1.00 0.00 WAT1 ATOM 1620 OH2 TIP3 62 -1.032 -31.204 -33.691 1.00 0.00 WAT1 ATOM 1621 H1 TIP3 62 -0.439 -30.996 -34.446 1.00 0.00 WAT1 ATOM 1622 H2 TIP3 62 -0.619 -31.993 -33.274 1.00 0.00 WAT1 ATOM 1623 OH2 TIP3 63 -5.994 -30.380 -33.408 1.00 0.00 WAT1 ATOM 1624 H1 TIP3 63 -6.533 -31.020 -32.901 1.00 0.00 WAT1 ATOM 1625 H2 TIP3 63 -5.173 -30.871 -33.616 1.00 0.00 WAT1 ATOM 1626 OH2 TIP3 64 -0.139 -17.655 -35.180 1.00 0.00 WAT1 ATOM 1627 H1 TIP3 64 0.395 -16.904 -35.531 1.00 0.00 WAT1 ATOM 1628 H2 TIP3 64 -0.483 -17.324 -34.339 1.00 0.00 WAT1 ATOM 1629 OH2 TIP3 65 -4.240 -20.012 -20.480 1.00 0.00 WAT1 ATOM 1630 H1 TIP3 65 -3.962 -20.579 -21.236 1.00 0.00 WAT1 ATOM 1631 H2 TIP3 65 -3.501 -19.403 -20.358 1.00 0.00 WAT1 ATOM 1632 OH2 TIP3 66 -0.377 -20.343 -19.929 1.00 0.00 WAT1 ATOM 1633 H1 TIP3 66 -0.924 -20.474 -20.746 1.00 0.00 WAT1 ATOM 1634 H2 TIP3 66 0.533 -20.391 -20.248 1.00 0.00 WAT1 ATOM 1635 OH2 TIP3 67 -5.381 -22.596 -24.661 1.00 0.00 WAT1 ATOM 1636 H1 TIP3 67 -5.276 -21.933 -25.349 1.00 0.00 WAT1 ATOM 1637 H2 TIP3 67 -4.809 -22.273 -23.926 1.00 0.00 WAT1 ATOM 1638 OH2 TIP3 68 -10.901 -28.517 -23.665 1.00 0.00 WAT1 ATOM 1639 H1 TIP3 68 -10.557 -28.260 -22.788 1.00 0.00 WAT1 ATOM 1640 H2 TIP3 68 -11.392 -27.725 -23.971 1.00 0.00 WAT1 ATOM 1641 OH2 TIP3 69 -7.448 -27.060 -22.840 1.00 0.00 WAT1 ATOM 1642 H1 TIP3 69 -6.884 -26.262 -22.996 1.00 0.00 WAT1 ATOM 1643 H2 TIP3 69 -8.003 -27.119 -23.649 1.00 0.00 WAT1 ATOM 1644 OH2 TIP3 70 -3.646 -18.278 -26.025 1.00 0.00 WAT1 ATOM 1645 H1 TIP3 70 -4.217 -18.657 -25.325 1.00 0.00 WAT1 ATOM 1646 H2 TIP3 70 -3.939 -18.723 -26.840 1.00 0.00 WAT1 ATOM 1647 OH2 TIP3 71 -7.539 -23.599 -20.579 1.00 0.00 WAT1 ATOM 1648 H1 TIP3 71 -6.599 -23.611 -20.877 1.00 0.00 WAT1 ATOM 1649 H2 TIP3 71 -7.814 -22.683 -20.704 1.00 0.00 WAT1 ATOM 1650 OH2 TIP3 72 -10.083 -32.892 -19.555 1.00 0.00 WAT1 ATOM 1651 H1 TIP3 72 -10.509 -33.723 -19.251 1.00 0.00 WAT1 ATOM 1652 H2 TIP3 72 -10.262 -32.266 -18.850 1.00 0.00 WAT1 ATOM 1653 OH2 TIP3 73 -4.608 -19.365 -23.718 1.00 0.00 WAT1 ATOM 1654 H1 TIP3 73 -4.487 -20.266 -23.340 1.00 0.00 WAT1 ATOM 1655 H2 TIP3 73 -3.763 -18.909 -23.514 1.00 0.00 WAT1 ATOM 1656 OH2 TIP3 74 -2.106 -18.434 -22.969 1.00 0.00 WAT1 ATOM 1657 H1 TIP3 74 -1.535 -18.299 -23.757 1.00 0.00 WAT1 ATOM 1658 H2 TIP3 74 -1.875 -19.346 -22.655 1.00 0.00 WAT1 ATOM 1659 OH2 TIP3 75 -8.598 -23.694 -27.632 1.00 0.00 WAT1 ATOM 1660 H1 TIP3 75 -8.757 -22.725 -27.662 1.00 0.00 WAT1 ATOM 1661 H2 TIP3 75 -9.175 -24.002 -26.904 1.00 0.00 WAT1 ATOM 1662 OH2 TIP3 76 -8.699 -27.158 -25.324 1.00 0.00 WAT1 ATOM 1663 H1 TIP3 76 -9.201 -26.989 -26.141 1.00 0.00 WAT1 ATOM 1664 H2 TIP3 76 -8.654 -28.139 -25.272 1.00 0.00 WAT1 ATOM 1665 OH2 TIP3 77 -2.503 -26.231 -16.605 1.00 0.00 WAT1 ATOM 1666 H1 TIP3 77 -3.174 -25.509 -16.607 1.00 0.00 WAT1 ATOM 1667 H2 TIP3 77 -3.035 -27.055 -16.522 1.00 0.00 WAT1 ATOM 1668 OH2 TIP3 78 -10.951 -24.648 -23.359 1.00 0.00 WAT1 ATOM 1669 H1 TIP3 78 -10.577 -24.957 -22.517 1.00 0.00 WAT1 ATOM 1670 H2 TIP3 78 -11.555 -25.370 -23.635 1.00 0.00 WAT1 ATOM 1671 OH2 TIP3 79 -4.197 -21.768 -18.373 1.00 0.00 WAT1 ATOM 1672 H1 TIP3 79 -3.372 -22.185 -18.703 1.00 0.00 WAT1 ATOM 1673 H2 TIP3 79 -4.394 -21.071 -19.041 1.00 0.00 WAT1 ATOM 1674 OH2 TIP3 80 -9.592 -27.667 -21.340 1.00 0.00 WAT1 ATOM 1675 H1 TIP3 80 -8.780 -27.474 -21.856 1.00 0.00 WAT1 ATOM 1676 H2 TIP3 80 -9.869 -26.788 -20.999 1.00 0.00 WAT1 ATOM 1677 OH2 TIP3 81 -6.139 -20.234 -29.919 1.00 0.00 WAT1 ATOM 1678 H1 TIP3 81 -5.419 -19.982 -29.307 1.00 0.00 WAT1 ATOM 1679 H2 TIP3 81 -6.796 -19.541 -29.812 1.00 0.00 WAT1 ATOM 1680 OH2 TIP3 82 -1.356 -20.610 -28.079 1.00 0.00 WAT1 ATOM 1681 H1 TIP3 82 -1.337 -21.576 -28.134 1.00 0.00 WAT1 ATOM 1682 H2 TIP3 82 -0.793 -20.314 -28.825 1.00 0.00 WAT1 ATOM 1683 OH2 TIP3 83 -7.692 -15.491 -16.529 1.00 0.00 WAT1 ATOM 1684 H1 TIP3 83 -7.602 -16.103 -15.770 1.00 0.00 WAT1 ATOM 1685 H2 TIP3 83 -7.767 -16.081 -17.306 1.00 0.00 WAT1 ATOM 1686 OH2 TIP3 84 -0.387 -24.872 -13.340 1.00 0.00 WAT1 ATOM 1687 H1 TIP3 84 0.035 -24.083 -13.718 1.00 0.00 WAT1 ATOM 1688 H2 TIP3 84 -1.349 -24.708 -13.466 1.00 0.00 WAT1 ATOM 1689 OH2 TIP3 85 -7.957 -30.057 -21.227 1.00 0.00 WAT1 ATOM 1690 H1 TIP3 85 -8.423 -30.872 -21.518 1.00 0.00 WAT1 ATOM 1691 H2 TIP3 85 -8.663 -29.383 -21.176 1.00 0.00 WAT1 ATOM 1692 OH2 TIP3 86 -5.802 -29.376 -17.808 1.00 0.00 WAT1 ATOM 1693 H1 TIP3 86 -4.937 -28.967 -17.604 1.00 0.00 WAT1 ATOM 1694 H2 TIP3 86 -6.116 -29.699 -16.949 1.00 0.00 WAT1 ATOM 1695 OH2 TIP3 87 -1.014 -25.137 -29.775 1.00 0.00 WAT1 ATOM 1696 H1 TIP3 87 -1.230 -24.386 -30.364 1.00 0.00 WAT1 ATOM 1697 H2 TIP3 87 -0.971 -24.735 -28.884 1.00 0.00 WAT1 ATOM 1698 OH2 TIP3 88 -8.048 -29.854 -25.550 1.00 0.00 WAT1 ATOM 1699 H1 TIP3 88 -8.481 -30.601 -25.073 1.00 0.00 WAT1 ATOM 1700 H2 TIP3 88 -7.303 -30.272 -26.022 1.00 0.00 WAT1 ATOM 1701 OH2 TIP3 89 -12.564 -26.511 -24.561 1.00 0.00 WAT1 ATOM 1702 H1 TIP3 89 -12.782 -25.902 -25.298 1.00 0.00 WAT1 ATOM 1703 H2 TIP3 89 -13.170 -27.277 -24.698 1.00 0.00 WAT1 ATOM 1704 OH2 TIP3 90 -9.549 -27.492 -28.091 1.00 0.00 WAT1 ATOM 1705 H1 TIP3 90 -9.921 -28.389 -27.946 1.00 0.00 WAT1 ATOM 1706 H2 TIP3 90 -8.836 -27.632 -28.732 1.00 0.00 WAT1 ATOM 1707 OH2 TIP3 91 -4.877 -23.622 -21.101 1.00 0.00 WAT1 ATOM 1708 H1 TIP3 91 -4.192 -23.741 -20.426 1.00 0.00 WAT1 ATOM 1709 H2 TIP3 91 -4.545 -22.867 -21.649 1.00 0.00 WAT1 ATOM 1710 OH2 TIP3 92 -14.003 -28.754 -25.047 1.00 0.00 WAT1 ATOM 1711 H1 TIP3 92 -13.329 -29.450 -25.192 1.00 0.00 WAT1 ATOM 1712 H2 TIP3 92 -14.762 -29.230 -24.701 1.00 0.00 WAT1 ATOM 1713 OH2 TIP3 93 -3.999 -28.417 -22.292 1.00 0.00 WAT1 ATOM 1714 H1 TIP3 93 -4.471 -27.897 -21.619 1.00 0.00 WAT1 ATOM 1715 H2 TIP3 93 -4.504 -29.246 -22.348 1.00 0.00 WAT1 ATOM 1716 OH2 TIP3 94 -10.383 -25.135 -29.251 1.00 0.00 WAT1 ATOM 1717 H1 TIP3 94 -9.830 -24.464 -28.804 1.00 0.00 WAT1 ATOM 1718 H2 TIP3 94 -10.223 -25.957 -28.737 1.00 0.00 WAT1 ATOM 1719 OH2 TIP3 95 -5.999 -24.857 -23.322 1.00 0.00 WAT1 ATOM 1720 H1 TIP3 95 -5.541 -24.608 -22.495 1.00 0.00 WAT1 ATOM 1721 H2 TIP3 95 -5.869 -24.078 -23.908 1.00 0.00 WAT1 ATOM 1722 OH2 TIP3 96 -13.308 -24.787 -26.571 1.00 0.00 WAT1 ATOM 1723 H1 TIP3 96 -13.230 -24.866 -27.553 1.00 0.00 WAT1 ATOM 1724 H2 TIP3 96 -14.217 -24.503 -26.431 1.00 0.00 WAT1 ATOM 1725 OH2 TIP3 97 -6.032 -27.448 -20.463 1.00 0.00 WAT1 ATOM 1726 H1 TIP3 97 -6.371 -28.205 -19.962 1.00 0.00 WAT1 ATOM 1727 H2 TIP3 97 -6.587 -27.426 -21.272 1.00 0.00 WAT1 ATOM 1728 OH2 TIP3 98 -10.808 -23.708 -25.907 1.00 0.00 WAT1 ATOM 1729 H1 TIP3 98 -11.688 -24.048 -26.169 1.00 0.00 WAT1 ATOM 1730 H2 TIP3 98 -10.740 -23.931 -24.948 1.00 0.00 WAT1 ATOM 1731 OH2 TIP3 99 -8.013 -19.604 -15.168 1.00 0.00 WAT1 ATOM 1732 H1 TIP3 99 -7.289 -20.087 -15.617 1.00 0.00 WAT1 ATOM 1733 H2 TIP3 99 -8.712 -20.256 -15.079 1.00 0.00 WAT1 ATOM 1734 OH2 TIP3 100 -6.739 -24.243 -29.581 1.00 0.00 WAT1 ATOM 1735 H1 TIP3 100 -7.335 -23.996 -28.843 1.00 0.00 WAT1 ATOM 1736 H2 TIP3 100 -7.195 -24.997 -30.011 1.00 0.00 WAT1 ATOM 1737 OH2 TIP3 101 -3.682 -17.315 -18.500 1.00 0.00 WAT1 ATOM 1738 H1 TIP3 101 -4.561 -17.753 -18.587 1.00 0.00 WAT1 ATOM 1739 H2 TIP3 101 -3.279 -17.757 -17.732 1.00 0.00 WAT1 ATOM 1740 OH2 TIP3 102 -3.582 -22.459 -29.180 1.00 0.00 WAT1 ATOM 1741 H1 TIP3 102 -4.333 -22.614 -29.789 1.00 0.00 WAT1 ATOM 1742 H2 TIP3 102 -3.764 -21.586 -28.796 1.00 0.00 WAT1 ATOM 1743 OH2 TIP3 103 -9.894 -21.385 -27.089 1.00 0.00 WAT1 ATOM 1744 H1 TIP3 103 -10.322 -22.109 -26.582 1.00 0.00 WAT1 ATOM 1745 H2 TIP3 103 -10.461 -20.626 -26.942 1.00 0.00 WAT1 ATOM 1746 OH2 TIP3 104 -5.984 -18.706 -18.219 1.00 0.00 WAT1 ATOM 1747 H1 TIP3 104 -6.749 -18.136 -18.429 1.00 0.00 WAT1 ATOM 1748 H2 TIP3 104 -6.358 -19.427 -17.690 1.00 0.00 WAT1 ATOM 1749 OH2 TIP3 105 -3.216 -17.564 -29.948 1.00 0.00 WAT1 ATOM 1750 H1 TIP3 105 -2.504 -16.917 -29.816 1.00 0.00 WAT1 ATOM 1751 H2 TIP3 105 -3.113 -17.843 -30.871 1.00 0.00 WAT1 ATOM 1752 OH2 TIP3 106 2.923 -16.769 -25.661 1.00 0.00 WAT1 ATOM 1753 H1 TIP3 106 3.657 -17.235 -25.193 1.00 0.00 WAT1 ATOM 1754 H2 TIP3 106 2.222 -16.706 -24.999 1.00 0.00 WAT1 ATOM 1755 OH2 TIP3 107 -5.805 -31.224 -19.811 1.00 0.00 WAT1 ATOM 1756 H1 TIP3 107 -5.697 -30.587 -19.070 1.00 0.00 WAT1 ATOM 1757 H2 TIP3 107 -6.682 -31.006 -20.180 1.00 0.00 WAT1 ATOM 1758 OH2 TIP3 108 -9.901 -25.019 -20.788 1.00 0.00 WAT1 ATOM 1759 H1 TIP3 108 -10.461 -24.363 -20.360 1.00 0.00 WAT1 ATOM 1760 H2 TIP3 108 -9.004 -24.616 -20.772 1.00 0.00 WAT1 ATOM 1761 OH2 TIP3 109 -11.854 -30.479 -25.219 1.00 0.00 WAT1 ATOM 1762 H1 TIP3 109 -11.477 -29.810 -24.595 1.00 0.00 WAT1 ATOM 1763 H2 TIP3 109 -11.384 -30.314 -26.059 1.00 0.00 WAT1 ATOM 1764 OH2 TIP3 110 -0.375 -28.909 -17.022 1.00 0.00 WAT1 ATOM 1765 H1 TIP3 110 -0.192 -28.307 -16.268 1.00 0.00 WAT1 ATOM 1766 H2 TIP3 110 -0.424 -28.316 -17.791 1.00 0.00 WAT1 ATOM 1767 OH2 TIP3 111 -2.531 -18.593 -16.240 1.00 0.00 WAT1 ATOM 1768 H1 TIP3 111 -1.663 -18.837 -16.641 1.00 0.00 WAT1 ATOM 1769 H2 TIP3 111 -2.400 -17.674 -15.917 1.00 0.00 WAT1 ATOM 1770 OH2 TIP3 112 -0.494 -16.371 -30.281 1.00 0.00 WAT1 ATOM 1771 H1 TIP3 112 0.348 -16.767 -30.598 1.00 0.00 WAT1 ATOM 1772 H2 TIP3 112 -0.226 -15.520 -29.899 1.00 0.00 WAT1 ATOM 1773 OH2 TIP3 113 -2.053 -22.979 -19.612 1.00 0.00 WAT1 ATOM 1774 H1 TIP3 113 -1.670 -22.177 -20.008 1.00 0.00 WAT1 ATOM 1775 H2 TIP3 113 -1.426 -23.675 -19.843 1.00 0.00 WAT1 ATOM 1776 OH2 TIP3 114 -13.101 -24.766 -29.263 1.00 0.00 WAT1 ATOM 1777 H1 TIP3 114 -12.127 -24.846 -29.361 1.00 0.00 WAT1 ATOM 1778 H2 TIP3 114 -13.442 -24.932 -30.145 1.00 0.00 WAT1 ATOM 1779 OH2 TIP3 115 -5.432 -22.522 -31.197 1.00 0.00 WAT1 ATOM 1780 H1 TIP3 115 -5.799 -21.646 -30.938 1.00 0.00 WAT1 ATOM 1781 H2 TIP3 115 -5.983 -23.170 -30.697 1.00 0.00 WAT1 ATOM 1782 OH2 TIP3 116 -6.180 -21.079 -16.611 1.00 0.00 WAT1 ATOM 1783 H1 TIP3 116 -6.695 -21.918 -16.673 1.00 0.00 WAT1 ATOM 1784 H2 TIP3 116 -5.396 -21.239 -17.187 1.00 0.00 WAT1 ATOM 1785 OH2 TIP3 117 -6.248 -25.223 -18.697 1.00 0.00 WAT1 ATOM 1786 H1 TIP3 117 -6.021 -26.064 -19.148 1.00 0.00 WAT1 ATOM 1787 H2 TIP3 117 -6.732 -24.713 -19.378 1.00 0.00 WAT1 ATOM 1788 OH2 TIP3 118 -3.395 -28.793 -16.595 1.00 0.00 WAT1 ATOM 1789 H1 TIP3 118 -2.527 -29.225 -16.688 1.00 0.00 WAT1 ATOM 1790 H2 TIP3 118 -3.876 -29.354 -15.950 1.00 0.00 WAT1 ATOM 1791 OH2 TIP3 119 -2.541 -26.982 -32.318 1.00 0.00 WAT1 ATOM 1792 H1 TIP3 119 -2.703 -26.030 -32.320 1.00 0.00 WAT1 ATOM 1793 H2 TIP3 119 -3.424 -27.375 -32.515 1.00 0.00 WAT1 ATOM 1794 OH2 TIP3 120 1.894 -33.347 -15.693 1.00 0.00 WAT1 ATOM 1795 H1 TIP3 120 1.411 -33.912 -16.347 1.00 0.00 WAT1 ATOM 1796 H2 TIP3 120 2.424 -33.987 -15.178 1.00 0.00 WAT1 ATOM 1797 OH2 TIP3 121 2.535 -30.792 -14.914 1.00 0.00 WAT1 ATOM 1798 H1 TIP3 121 2.249 -30.572 -14.001 1.00 0.00 WAT1 ATOM 1799 H2 TIP3 121 2.184 -31.690 -15.065 1.00 0.00 WAT1 ATOM 1800 OH2 TIP3 122 -0.700 -15.059 -25.575 1.00 0.00 WAT1 ATOM 1801 H1 TIP3 122 -0.833 -16.031 -25.493 1.00 0.00 WAT1 ATOM 1802 H2 TIP3 122 -0.658 -14.747 -24.652 1.00 0.00 WAT1 ATOM 1803 OH2 TIP3 123 -4.362 -13.616 -15.691 1.00 0.00 WAT1 ATOM 1804 H1 TIP3 123 -5.037 -13.365 -16.362 1.00 0.00 WAT1 ATOM 1805 H2 TIP3 123 -4.877 -13.780 -14.892 1.00 0.00 WAT1 ATOM 1806 OH2 TIP3 124 -0.937 -26.654 -18.756 1.00 0.00 WAT1 ATOM 1807 H1 TIP3 124 -1.568 -26.850 -19.459 1.00 0.00 WAT1 ATOM 1808 H2 TIP3 124 -1.501 -26.399 -17.988 1.00 0.00 WAT1 ATOM 1809 OH2 TIP3 125 -7.892 -16.868 -18.993 1.00 0.00 WAT1 ATOM 1810 H1 TIP3 125 -8.694 -17.157 -19.441 1.00 0.00 WAT1 ATOM 1811 H2 TIP3 125 -7.401 -16.370 -19.682 1.00 0.00 WAT1 ATOM 1812 OH2 TIP3 126 -2.162 -28.869 -24.271 1.00 0.00 WAT1 ATOM 1813 H1 TIP3 126 -1.557 -28.096 -24.330 1.00 0.00 WAT1 ATOM 1814 H2 TIP3 126 -2.794 -28.625 -23.560 1.00 0.00 WAT1 ATOM 1815 OH2 TIP3 127 -8.923 -32.533 -21.988 1.00 0.00 WAT1 ATOM 1816 H1 TIP3 127 -8.384 -33.342 -22.142 1.00 0.00 WAT1 ATOM 1817 H2 TIP3 127 -9.403 -32.722 -21.147 1.00 0.00 WAT1 ATOM 1818 OH2 TIP3 128 -3.874 -19.694 -28.412 1.00 0.00 WAT1 ATOM 1819 H1 TIP3 128 -3.735 -18.870 -28.940 1.00 0.00 WAT1 ATOM 1820 H2 TIP3 128 -2.959 -19.965 -28.151 1.00 0.00 WAT1 ATOM 1821 OH2 TIP3 129 -0.835 -18.338 -1.926 1.00 0.00 WAT1 ATOM 1822 H1 TIP3 129 -0.674 -19.305 -1.906 1.00 0.00 WAT1 ATOM 1823 H2 TIP3 129 -1.782 -18.258 -2.148 1.00 0.00 WAT1 ATOM 1824 OH2 TIP3 130 -3.378 -19.857 0.260 1.00 0.00 WAT1 ATOM 1825 H1 TIP3 130 -3.777 -20.108 -0.596 1.00 0.00 WAT1 ATOM 1826 H2 TIP3 130 -3.670 -18.934 0.397 1.00 0.00 WAT1 ATOM 1827 OH2 TIP3 131 -1.942 -22.112 0.790 1.00 0.00 WAT1 ATOM 1828 H1 TIP3 131 -2.514 -21.318 0.720 1.00 0.00 WAT1 ATOM 1829 H2 TIP3 131 -2.133 -22.611 -0.025 1.00 0.00 WAT1 ATOM 1830 OH2 TIP3 132 -1.988 -15.859 -3.413 1.00 0.00 WAT1 ATOM 1831 H1 TIP3 132 -1.120 -16.282 -3.448 1.00 0.00 WAT1 ATOM 1832 H2 TIP3 132 -1.984 -15.247 -4.157 1.00 0.00 WAT1 ATOM 1833 OH2 TIP3 133 -2.173 -19.920 -9.532 1.00 0.00 WAT1 ATOM 1834 H1 TIP3 133 -2.485 -20.598 -10.145 1.00 0.00 WAT1 ATOM 1835 H2 TIP3 133 -2.505 -19.088 -9.912 1.00 0.00 WAT1 ATOM 1836 OH2 TIP3 134 -0.295 -19.563 -17.340 1.00 0.00 WAT1 ATOM 1837 H1 TIP3 134 0.678 -19.550 -17.342 1.00 0.00 WAT1 ATOM 1838 H2 TIP3 134 -0.527 -19.920 -18.228 1.00 0.00 WAT1 ATOM 1839 OH2 TIP3 135 -2.946 -15.997 -15.391 1.00 0.00 WAT1 ATOM 1840 H1 TIP3 135 -3.514 -16.328 -14.663 1.00 0.00 WAT1 ATOM 1841 H2 TIP3 135 -3.336 -15.131 -15.618 1.00 0.00 WAT1 ATOM 1842 OH2 TIP3 136 -7.509 -23.430 -16.952 1.00 0.00 WAT1 ATOM 1843 H1 TIP3 136 -8.088 -23.995 -16.433 1.00 0.00 WAT1 ATOM 1844 H2 TIP3 136 -7.043 -24.049 -17.549 1.00 0.00 WAT1 ATOM 1845 OH2 TIP3 137 -2.634 -22.527 -1.917 1.00 0.00 WAT1 ATOM 1846 H1 TIP3 137 -2.959 -23.230 -2.490 1.00 0.00 WAT1 ATOM 1847 H2 TIP3 137 -3.235 -21.771 -2.097 1.00 0.00 WAT1 ATOM 1848 OH2 TIP3 138 -3.514 -17.704 -2.121 1.00 0.00 WAT1 ATOM 1849 H1 TIP3 138 -3.200 -16.932 -2.646 1.00 0.00 WAT1 ATOM 1850 H2 TIP3 138 -3.585 -17.357 -1.204 1.00 0.00 WAT1 ATOM 1851 OH2 TIP3 139 -2.804 -23.862 -14.301 1.00 0.00 WAT1 ATOM 1852 H1 TIP3 139 -3.487 -24.102 -14.945 1.00 0.00 WAT1 ATOM 1853 H2 TIP3 139 -2.663 -22.906 -14.450 1.00 0.00 WAT1 ATOM 1854 OH2 TIP3 140 1.984 -19.823 0.961 1.00 0.00 WAT1 ATOM 1855 H1 TIP3 140 2.311 -19.215 1.656 1.00 0.00 WAT1 ATOM 1856 H2 TIP3 140 2.421 -20.674 1.166 1.00 0.00 WAT1 ATOM 1857 OH2 TIP3 141 -2.087 -21.278 -14.961 1.00 0.00 WAT1 ATOM 1858 H1 TIP3 141 -2.171 -20.488 -15.521 1.00 0.00 WAT1 ATOM 1859 H2 TIP3 141 -1.221 -21.654 -15.205 1.00 0.00 WAT1 ATOM 1860 OH2 TIP3 142 -4.322 -24.209 -16.916 1.00 0.00 WAT1 ATOM 1861 H1 TIP3 142 -5.011 -24.619 -17.479 1.00 0.00 WAT1 ATOM 1862 H2 TIP3 142 -4.206 -23.316 -17.296 1.00 0.00 WAT1 ATOM 1863 OH2 TIP3 143 -2.535 -13.095 1.132 1.00 0.00 WAT1 ATOM 1864 H1 TIP3 143 -3.151 -13.776 1.473 1.00 0.00 WAT1 ATOM 1865 H2 TIP3 143 -3.126 -12.418 0.725 1.00 0.00 WAT1 ATOM 1866 OH2 TIP3 144 -3.258 -20.245 -12.629 1.00 0.00 WAT1 ATOM 1867 H1 TIP3 144 -4.000 -20.002 -13.216 1.00 0.00 WAT1 ATOM 1868 H2 TIP3 144 -2.672 -20.774 -13.203 1.00 0.00 WAT1 ATOM 1869 OH2 TIP3 145 1.196 -11.967 -2.946 1.00 0.00 WAT1 ATOM 1870 H1 TIP3 145 1.167 -12.410 -3.797 1.00 0.00 WAT1 ATOM 1871 H2 TIP3 145 0.352 -12.226 -2.511 1.00 0.00 WAT1 ATOM 1872 OH2 TIP3 146 -7.508 -17.097 -14.211 1.00 0.00 WAT1 ATOM 1873 H1 TIP3 146 -7.613 -18.020 -14.547 1.00 0.00 WAT1 ATOM 1874 H2 TIP3 146 -8.224 -16.994 -13.577 1.00 0.00 WAT1 ATOM 1875 OH2 TIP3 147 -3.372 -17.116 0.569 1.00 0.00 WAT1 ATOM 1876 H1 TIP3 147 -3.811 -16.338 0.981 1.00 0.00 WAT1 ATOM 1877 H2 TIP3 147 -2.729 -17.411 1.244 1.00 0.00 WAT1 ATOM 1878 OH2 TIP3 148 -4.782 -16.990 -13.590 1.00 0.00 WAT1 ATOM 1879 H1 TIP3 148 -5.742 -16.807 -13.641 1.00 0.00 WAT1 ATOM 1880 H2 TIP3 148 -4.699 -17.900 -13.953 1.00 0.00 WAT1 ATOM 1881 OH2 TIP3 149 -4.726 -19.406 -14.837 1.00 0.00 WAT1 ATOM 1882 H1 TIP3 149 -5.265 -20.035 -15.352 1.00 0.00 WAT1 ATOM 1883 H2 TIP3 149 -4.002 -19.154 -15.452 1.00 0.00 WAT1 ATOM 1884 OH2 TIP3 150 -4.229 -20.306 -2.360 1.00 0.00 WAT1 ATOM 1885 H1 TIP3 150 -5.079 -20.360 -2.811 1.00 0.00 WAT1 ATOM 1886 H2 TIP3 150 -3.980 -19.352 -2.429 1.00 0.00 WAT1 ATOM 1887 OH2 TIP3 151 -1.718 -18.684 2.199 1.00 0.00 WAT1 ATOM 1888 H1 TIP3 151 -2.139 -19.068 3.002 1.00 0.00 WAT1 ATOM 1889 H2 TIP3 151 -1.996 -19.280 1.480 1.00 0.00 WAT1 ATOM 1890 OH2 TIP3 152 3.305 -23.139 -9.199 1.00 0.00 WAT1 ATOM 1891 H1 TIP3 152 3.638 -22.731 -8.362 1.00 0.00 WAT1 ATOM 1892 H2 TIP3 152 2.343 -23.114 -9.108 1.00 0.00 WAT1 ATOM 1893 OH2 TIP3 153 2.684 -23.995 -5.609 1.00 0.00 WAT1 ATOM 1894 H1 TIP3 153 2.704 -23.659 -4.684 1.00 0.00 WAT1 ATOM 1895 H2 TIP3 153 3.212 -23.344 -6.106 1.00 0.00 WAT1 ATOM 1896 OH2 TIP3 154 2.679 -18.447 -1.256 1.00 0.00 WAT1 ATOM 1897 H1 TIP3 154 2.340 -18.879 -0.440 1.00 0.00 WAT1 ATOM 1898 H2 TIP3 154 2.398 -19.056 -1.977 1.00 0.00 WAT1 ATOM 1899 OH2 TIP3 155 5.006 -23.579 -11.271 1.00 0.00 WAT1 ATOM 1900 H1 TIP3 155 5.131 -22.966 -11.998 1.00 0.00 WAT1 ATOM 1901 H2 TIP3 155 4.372 -23.125 -10.678 1.00 0.00 WAT1 ATOM 1902 OH2 TIP3 156 -0.260 -26.910 -15.146 1.00 0.00 WAT1 ATOM 1903 H1 TIP3 156 -1.076 -26.667 -15.635 1.00 0.00 WAT1 ATOM 1904 H2 TIP3 156 -0.180 -26.213 -14.463 1.00 0.00 WAT1 ATOM 1905 OH2 TIP3 157 0.791 -20.000 -5.782 1.00 0.00 WAT1 ATOM 1906 H1 TIP3 157 0.268 -20.804 -5.889 1.00 0.00 WAT1 ATOM 1907 H2 TIP3 157 0.460 -19.403 -6.495 1.00 0.00 WAT1 ATOM 1908 OH2 TIP3 158 -1.030 -22.209 3.356 1.00 0.00 WAT1 ATOM 1909 H1 TIP3 158 -0.894 -23.149 3.523 1.00 0.00 WAT1 ATOM 1910 H2 TIP3 158 -1.269 -22.168 2.398 1.00 0.00 WAT1 ATOM 1911 OH2 TIP3 159 0.926 -27.295 -12.342 1.00 0.00 WAT1 ATOM 1912 H1 TIP3 159 0.477 -26.430 -12.298 1.00 0.00 WAT1 ATOM 1913 H2 TIP3 159 0.716 -27.624 -13.231 1.00 0.00 WAT1 ATOM 1914 OH2 TIP3 160 3.045 -27.598 -10.414 1.00 0.00 WAT1 ATOM 1915 H1 TIP3 160 2.885 -28.257 -9.706 1.00 0.00 WAT1 ATOM 1916 H2 TIP3 160 2.204 -27.569 -10.912 1.00 0.00 WAT1 ATOM 1917 OH2 TIP3 161 -3.685 -10.660 3.992 1.00 0.00 WAT1 ATOM 1918 H1 TIP3 161 -4.394 -11.325 4.186 1.00 0.00 WAT1 ATOM 1919 H2 TIP3 161 -3.967 -10.256 3.148 1.00 0.00 WAT1 ATOM 1920 OH2 TIP3 162 -4.370 -15.019 2.012 1.00 0.00 WAT1 ATOM 1921 H1 TIP3 162 -4.404 -15.454 2.887 1.00 0.00 WAT1 ATOM 1922 H2 TIP3 162 -5.240 -14.581 1.935 1.00 0.00 WAT1 ATOM 1923 OH2 TIP3 163 -3.890 -11.107 -0.111 1.00 0.00 WAT1 ATOM 1924 H1 TIP3 163 -4.337 -10.751 -0.885 1.00 0.00 WAT1 ATOM 1925 H2 TIP3 163 -4.029 -10.425 0.582 1.00 0.00 WAT1 ATOM 1926 OH2 TIP3 164 -0.857 -16.773 -9.910 1.00 0.00 WAT1 ATOM 1927 H1 TIP3 164 -0.432 -16.169 -10.523 1.00 0.00 WAT1 ATOM 1928 H2 TIP3 164 -1.635 -17.112 -10.407 1.00 0.00 WAT1 ATOM 1929 OH2 TIP3 165 -3.279 -16.070 6.181 1.00 0.00 WAT1 ATOM 1930 H1 TIP3 165 -2.657 -15.322 6.300 1.00 0.00 WAT1 ATOM 1931 H2 TIP3 165 -2.742 -16.853 6.374 1.00 0.00 WAT1 ATOM 1932 OH2 TIP3 166 -5.819 -13.689 6.969 1.00 0.00 WAT1 ATOM 1933 H1 TIP3 166 -5.241 -14.459 7.043 1.00 0.00 WAT1 ATOM 1934 H2 TIP3 166 -6.260 -13.637 7.822 1.00 0.00 WAT1 ATOM 1935 OH2 TIP3 167 -1.068 -14.420 6.578 1.00 0.00 WAT1 ATOM 1936 H1 TIP3 167 -1.288 -13.490 6.346 1.00 0.00 WAT1 ATOM 1937 H2 TIP3 167 -0.434 -14.339 7.323 1.00 0.00 WAT1 ATOM 1938 OH2 TIP3 168 -5.265 -16.307 4.358 1.00 0.00 WAT1 ATOM 1939 H1 TIP3 168 -4.571 -16.093 5.028 1.00 0.00 WAT1 ATOM 1940 H2 TIP3 168 -5.448 -17.243 4.501 1.00 0.00 WAT1 ATOM 1941 OH2 TIP3 169 -2.778 -20.250 4.161 1.00 0.00 WAT1 ATOM 1942 H1 TIP3 169 -2.212 -21.013 3.922 1.00 0.00 WAT1 ATOM 1943 H2 TIP3 169 -3.265 -20.550 4.933 1.00 0.00 WAT1 ATOM 1944 OH2 TIP3 170 2.884 -9.674 6.549 1.00 0.00 WAT1 ATOM 1945 H1 TIP3 170 3.772 -9.663 6.951 1.00 0.00 WAT1 ATOM 1946 H2 TIP3 170 2.416 -8.949 6.995 1.00 0.00 WAT1 ATOM 1947 OH2 TIP3 171 4.128 -16.376 -30.833 1.00 0.00 WAT1 ATOM 1948 H1 TIP3 171 4.634 -15.532 -30.895 1.00 0.00 WAT1 ATOM 1949 H2 TIP3 171 3.886 -16.431 -29.885 1.00 0.00 WAT1 ATOM 1950 OH2 TIP3 172 4.621 -12.209 -34.508 1.00 0.00 WAT1 ATOM 1951 H1 TIP3 172 5.231 -12.269 -33.748 1.00 0.00 WAT1 ATOM 1952 H2 TIP3 172 4.734 -13.063 -34.976 1.00 0.00 WAT1 ATOM 1953 OH2 TIP3 173 2.739 -13.269 -37.050 1.00 0.00 WAT1 ATOM 1954 H1 TIP3 173 2.280 -13.183 -37.893 1.00 0.00 WAT1 ATOM 1955 H2 TIP3 173 2.888 -12.339 -36.764 1.00 0.00 WAT1 ATOM 1956 OH2 TIP3 174 2.342 -10.963 -22.667 1.00 0.00 WAT1 ATOM 1957 H1 TIP3 174 1.657 -10.396 -23.082 1.00 0.00 WAT1 ATOM 1958 H2 TIP3 174 2.026 -11.877 -22.830 1.00 0.00 WAT1 ATOM 1959 OH2 TIP3 175 2.764 -10.608 -19.814 1.00 0.00 WAT1 ATOM 1960 H1 TIP3 175 2.586 -10.783 -20.755 1.00 0.00 WAT1 ATOM 1961 H2 TIP3 175 2.769 -9.634 -19.750 1.00 0.00 WAT1 ATOM 1962 OH2 TIP3 176 -1.236 -14.190 -22.999 1.00 0.00 WAT1 ATOM 1963 H1 TIP3 176 -1.542 -13.477 -22.390 1.00 0.00 WAT1 ATOM 1964 H2 TIP3 176 -1.732 -14.985 -22.698 1.00 0.00 WAT1 ATOM 1965 OH2 TIP3 177 -6.774 -15.719 -21.349 1.00 0.00 WAT1 ATOM 1966 H1 TIP3 177 -6.121 -15.323 -21.961 1.00 0.00 WAT1 ATOM 1967 H2 TIP3 177 -6.683 -16.689 -21.504 1.00 0.00 WAT1 ATOM 1968 OH2 TIP3 178 -2.673 -7.772 -19.855 1.00 0.00 WAT1 ATOM 1969 H1 TIP3 178 -3.269 -7.816 -20.608 1.00 0.00 WAT1 ATOM 1970 H2 TIP3 178 -1.796 -7.970 -20.229 1.00 0.00 WAT1 ATOM 1971 OH2 TIP3 179 0.446 -17.566 -27.771 1.00 0.00 WAT1 ATOM 1972 H1 TIP3 179 -0.039 -17.706 -28.596 1.00 0.00 WAT1 ATOM 1973 H2 TIP3 179 0.651 -16.610 -27.775 1.00 0.00 WAT1 ATOM 1974 OH2 TIP3 180 -1.204 -7.870 -17.524 1.00 0.00 WAT1 ATOM 1975 H1 TIP3 180 -1.931 -7.701 -18.163 1.00 0.00 WAT1 ATOM 1976 H2 TIP3 180 -1.661 -8.248 -16.736 1.00 0.00 WAT1 ATOM 1977 OH2 TIP3 181 -8.730 -12.142 -18.807 1.00 0.00 WAT1 ATOM 1978 H1 TIP3 181 -9.528 -12.644 -18.586 1.00 0.00 WAT1 ATOM 1979 H2 TIP3 181 -8.992 -11.217 -18.702 1.00 0.00 WAT1 ATOM 1980 OH2 TIP3 182 -2.405 -9.057 -15.393 1.00 0.00 WAT1 ATOM 1981 H1 TIP3 182 -3.054 -8.806 -14.696 1.00 0.00 WAT1 ATOM 1982 H2 TIP3 182 -2.582 -10.010 -15.554 1.00 0.00 WAT1 ATOM 1983 OH2 TIP3 183 -4.692 -12.050 -22.328 1.00 0.00 WAT1 ATOM 1984 H1 TIP3 183 -5.637 -11.934 -22.101 1.00 0.00 WAT1 ATOM 1985 H2 TIP3 183 -4.586 -11.573 -23.184 1.00 0.00 WAT1 ATOM 1986 OH2 TIP3 184 1.604 -9.951 -29.073 1.00 0.00 WAT1 ATOM 1987 H1 TIP3 184 2.443 -10.399 -28.843 1.00 0.00 WAT1 ATOM 1988 H2 TIP3 184 1.718 -9.698 -30.013 1.00 0.00 WAT1 ATOM 1989 OH2 TIP3 185 -7.091 -12.701 -21.059 1.00 0.00 WAT1 ATOM 1990 H1 TIP3 185 -7.302 -13.640 -21.210 1.00 0.00 WAT1 ATOM 1991 H2 TIP3 185 -7.705 -12.429 -20.351 1.00 0.00 WAT1 ATOM 1992 OH2 TIP3 186 -2.297 -12.585 -21.114 1.00 0.00 WAT1 ATOM 1993 H1 TIP3 186 -3.187 -12.324 -21.445 1.00 0.00 WAT1 ATOM 1994 H2 TIP3 186 -1.751 -11.767 -21.221 1.00 0.00 WAT1 ATOM 1995 OH2 TIP3 187 -6.575 -13.184 -17.286 1.00 0.00 WAT1 ATOM 1996 H1 TIP3 187 -6.997 -14.010 -16.938 1.00 0.00 WAT1 ATOM 1997 H2 TIP3 187 -7.307 -12.715 -17.729 1.00 0.00 WAT1 ATOM 1998 OH2 TIP3 188 -3.959 -8.347 -13.264 1.00 0.00 WAT1 ATOM 1999 H1 TIP3 188 -4.775 -7.954 -12.942 1.00 0.00 WAT1 ATOM 2000 H2 TIP3 188 -3.315 -8.161 -12.573 1.00 0.00 WAT1 ATOM 2001 OH2 TIP3 189 -0.066 -9.660 -13.986 1.00 0.00 WAT1 ATOM 2002 H1 TIP3 189 -0.823 -9.342 -14.514 1.00 0.00 WAT1 ATOM 2003 H2 TIP3 189 0.092 -10.562 -14.317 1.00 0.00 WAT1 ATOM 2004 OH2 TIP3 190 1.051 -6.940 -16.275 1.00 0.00 WAT1 ATOM 2005 H1 TIP3 190 1.178 -6.072 -16.674 1.00 0.00 WAT1 ATOM 2006 H2 TIP3 190 0.229 -7.282 -16.698 1.00 0.00 WAT1 ATOM 2007 OH2 TIP3 191 -4.067 -11.205 -24.849 1.00 0.00 WAT1 ATOM 2008 H1 TIP3 191 -3.851 -12.133 -25.084 1.00 0.00 WAT1 ATOM 2009 H2 TIP3 191 -3.780 -10.697 -25.611 1.00 0.00 WAT1 ATOM 2010 OH2 TIP3 192 -0.804 -10.403 -21.710 1.00 0.00 WAT1 ATOM 2011 H1 TIP3 192 -0.424 -10.061 -22.544 1.00 0.00 WAT1 ATOM 2012 H2 TIP3 192 -0.431 -9.813 -21.020 1.00 0.00 WAT1 ATOM 2013 OH2 TIP3 193 0.048 -8.534 -19.891 1.00 0.00 WAT1 ATOM 2014 H1 TIP3 193 -0.277 -8.389 -18.978 1.00 0.00 WAT1 ATOM 2015 H2 TIP3 193 0.983 -8.241 -19.859 1.00 0.00 WAT1 ATOM 2016 OH2 TIP3 194 -3.222 -13.785 -25.217 1.00 0.00 WAT1 ATOM 2017 H1 TIP3 194 -2.944 -14.345 -25.957 1.00 0.00 WAT1 ATOM 2018 H2 TIP3 194 -2.428 -13.723 -24.659 1.00 0.00 WAT1 ATOM 2019 OH2 TIP3 195 1.605 -11.141 -17.391 1.00 0.00 WAT1 ATOM 2020 H1 TIP3 195 0.678 -11.072 -17.718 1.00 0.00 WAT1 ATOM 2021 H2 TIP3 195 2.147 -11.088 -18.211 1.00 0.00 WAT1 ATOM 2022 OH2 TIP3 196 0.667 -14.768 -27.884 1.00 0.00 WAT1 ATOM 2023 H1 TIP3 196 0.436 -13.930 -28.355 1.00 0.00 WAT1 ATOM 2024 H2 TIP3 196 0.119 -14.743 -27.063 1.00 0.00 WAT1 ATOM 2025 OH2 TIP3 197 -4.768 -14.700 -23.036 1.00 0.00 WAT1 ATOM 2026 H1 TIP3 197 -4.778 -13.784 -22.686 1.00 0.00 WAT1 ATOM 2027 H2 TIP3 197 -4.443 -14.599 -23.952 1.00 0.00 WAT1 ATOM 2028 OH2 TIP3 198 -2.742 -16.101 -21.849 1.00 0.00 WAT1 ATOM 2029 H1 TIP3 198 -3.611 -15.849 -22.234 1.00 0.00 WAT1 ATOM 2030 H2 TIP3 198 -2.582 -17.014 -22.195 1.00 0.00 WAT1 ATOM 2031 OH2 TIP3 199 -6.182 -18.353 -21.691 1.00 0.00 WAT1 ATOM 2032 H1 TIP3 199 -5.697 -18.873 -21.019 1.00 0.00 WAT1 ATOM 2033 H2 TIP3 199 -5.813 -18.664 -22.542 1.00 0.00 WAT1 ATOM 2034 OH2 TIP3 200 -1.017 -17.749 -25.429 1.00 0.00 WAT1 ATOM 2035 H1 TIP3 200 -1.941 -17.947 -25.713 1.00 0.00 WAT1 ATOM 2036 H2 TIP3 200 -0.475 -17.947 -26.223 1.00 0.00 WAT1 ATOM 2037 OH2 TIP3 201 -4.939 -13.461 -19.450 1.00 0.00 WAT1 ATOM 2038 H1 TIP3 201 -5.492 -13.375 -18.645 1.00 0.00 WAT1 ATOM 2039 H2 TIP3 201 -5.494 -13.087 -20.160 1.00 0.00 WAT1 ATOM 2040 OH2 TIP3 202 -0.370 -10.221 -0.642 1.00 0.00 WAT1 ATOM 2041 H1 TIP3 202 -0.254 -10.682 0.218 1.00 0.00 WAT1 ATOM 2042 H2 TIP3 202 -0.617 -9.302 -0.389 1.00 0.00 WAT1 ATOM 2043 OH2 TIP3 203 -1.170 -12.583 -1.725 1.00 0.00 WAT1 ATOM 2044 H1 TIP3 203 -2.078 -12.814 -1.488 1.00 0.00 WAT1 ATOM 2045 H2 TIP3 203 -1.041 -11.689 -1.336 1.00 0.00 WAT1 ATOM 2046 OH2 TIP3 204 1.356 -6.223 1.262 1.00 0.00 WAT1 ATOM 2047 H1 TIP3 204 1.213 -5.413 1.765 1.00 0.00 WAT1 ATOM 2048 H2 TIP3 204 1.650 -5.902 0.369 1.00 0.00 WAT1 ATOM 2049 OH2 TIP3 205 -4.036 -5.244 1.186 1.00 0.00 WAT1 ATOM 2050 H1 TIP3 205 -3.706 -5.156 2.103 1.00 0.00 WAT1 ATOM 2051 H2 TIP3 205 -4.816 -4.681 1.160 1.00 0.00 WAT1 ATOM 2052 OH2 TIP3 206 -2.383 -11.730 -15.860 1.00 0.00 WAT1 ATOM 2053 H1 TIP3 206 -3.068 -12.428 -15.762 1.00 0.00 WAT1 ATOM 2054 H2 TIP3 206 -1.579 -12.122 -15.463 1.00 0.00 WAT1 ATOM 2055 OH2 TIP3 207 -2.260 -7.464 2.618 1.00 0.00 WAT1 ATOM 2056 H1 TIP3 207 -2.025 -7.949 3.437 1.00 0.00 WAT1 ATOM 2057 H2 TIP3 207 -2.446 -6.553 2.926 1.00 0.00 WAT1 ATOM 2058 OH2 TIP3 208 -4.300 -9.081 1.732 1.00 0.00 WAT1 ATOM 2059 H1 TIP3 208 -3.550 -8.469 1.902 1.00 0.00 WAT1 ATOM 2060 H2 TIP3 208 -5.079 -8.512 1.761 1.00 0.00 WAT1 ATOM 2061 OH2 TIP3 209 1.991 -5.212 -1.124 1.00 0.00 WAT1 ATOM 2062 H1 TIP3 209 2.745 -5.138 -1.745 1.00 0.00 WAT1 ATOM 2063 H2 TIP3 209 1.248 -4.778 -1.592 1.00 0.00 WAT1 ATOM 2064 OH2 TIP3 210 2.013 -3.511 -12.093 1.00 0.00 WAT1 ATOM 2065 H1 TIP3 210 2.187 -3.227 -11.172 1.00 0.00 WAT1 ATOM 2066 H2 TIP3 210 1.118 -3.206 -12.269 1.00 0.00 WAT1 ATOM 2067 OH2 TIP3 211 3.418 -7.640 2.326 1.00 0.00 WAT1 ATOM 2068 H1 TIP3 211 2.611 -7.211 1.966 1.00 0.00 WAT1 ATOM 2069 H2 TIP3 211 3.082 -8.275 2.969 1.00 0.00 WAT1 ATOM 2070 OH2 TIP3 212 0.840 -3.957 -4.598 1.00 0.00 WAT1 ATOM 2071 H1 TIP3 212 0.086 -4.055 -5.216 1.00 0.00 WAT1 ATOM 2072 H2 TIP3 212 0.428 -4.008 -3.711 1.00 0.00 WAT1 ATOM 2073 OH2 TIP3 213 -0.208 -11.794 1.572 1.00 0.00 WAT1 ATOM 2074 H1 TIP3 213 -0.122 -11.439 2.487 1.00 0.00 WAT1 ATOM 2075 H2 TIP3 213 -1.128 -12.150 1.538 1.00 0.00 WAT1 ATOM 2076 OH2 TIP3 214 -0.333 -4.050 -2.115 1.00 0.00 WAT1 ATOM 2077 H1 TIP3 214 -0.588 -3.187 -1.771 1.00 0.00 WAT1 ATOM 2078 H2 TIP3 214 -1.024 -4.663 -1.760 1.00 0.00 WAT1 ATOM 2079 OH2 TIP3 215 -5.573 -12.486 4.513 1.00 0.00 WAT1 ATOM 2080 H1 TIP3 215 -6.111 -13.083 3.956 1.00 0.00 WAT1 ATOM 2081 H2 TIP3 215 -5.715 -12.819 5.426 1.00 0.00 WAT1 ATOM 2082 OH2 TIP3 216 2.442 -2.913 -9.442 1.00 0.00 WAT1 ATOM 2083 H1 TIP3 216 2.897 -2.041 -9.342 1.00 0.00 WAT1 ATOM 2084 H2 TIP3 216 1.793 -2.923 -8.726 1.00 0.00 WAT1 ATOM 2085 OH2 TIP3 217 4.162 -5.189 -2.853 1.00 0.00 WAT1 ATOM 2086 H1 TIP3 217 3.913 -5.037 -3.789 1.00 0.00 WAT1 ATOM 2087 H2 TIP3 217 4.697 -4.400 -2.618 1.00 0.00 WAT1 ATOM 2088 OH2 TIP3 218 5.753 -0.538 -7.330 1.00 0.00 WAT1 ATOM 2089 H1 TIP3 218 6.394 -0.639 -6.594 1.00 0.00 WAT1 ATOM 2090 H2 TIP3 218 6.228 -0.890 -8.109 1.00 0.00 WAT1 ATOM 2091 OH2 TIP3 219 3.088 -8.762 -16.710 1.00 0.00 WAT1 ATOM 2092 H1 TIP3 219 2.393 -8.163 -16.365 1.00 0.00 WAT1 ATOM 2093 H2 TIP3 219 2.648 -9.633 -16.761 1.00 0.00 WAT1 ATOM 2094 OH2 TIP3 220 -1.442 -4.297 -6.128 1.00 0.00 WAT1 ATOM 2095 H1 TIP3 220 -1.843 -5.160 -5.985 1.00 0.00 WAT1 ATOM 2096 H2 TIP3 220 -2.191 -3.695 -6.202 1.00 0.00 WAT1 ATOM 2097 OH2 TIP3 221 -2.874 -4.967 3.731 1.00 0.00 WAT1 ATOM 2098 H1 TIP3 221 -2.528 -5.382 4.559 1.00 0.00 WAT1 ATOM 2099 H2 TIP3 221 -2.809 -4.020 3.900 1.00 0.00 WAT1 ATOM 2100 OH2 TIP3 222 -1.741 -6.271 5.832 1.00 0.00 WAT1 ATOM 2101 H1 TIP3 222 -1.799 -7.184 5.488 1.00 0.00 WAT1 ATOM 2102 H2 TIP3 222 -1.339 -6.376 6.713 1.00 0.00 WAT1 ATOM 2103 OH2 TIP3 223 -1.020 -11.170 -18.164 1.00 0.00 WAT1 ATOM 2104 H1 TIP3 223 -1.579 -11.305 -17.372 1.00 0.00 WAT1 ATOM 2105 H2 TIP3 223 -1.545 -10.591 -18.729 1.00 0.00 WAT1 ATOM 2106 OH2 TIP3 224 -2.153 -5.577 -0.833 1.00 0.00 WAT1 ATOM 2107 H1 TIP3 224 -1.729 -6.415 -0.576 1.00 0.00 WAT1 ATOM 2108 H2 TIP3 224 -2.890 -5.475 -0.194 1.00 0.00 WAT1 ATOM 2109 OH2 TIP3 225 -0.758 -7.728 0.372 1.00 0.00 WAT1 ATOM 2110 H1 TIP3 225 -1.335 -7.689 1.168 1.00 0.00 WAT1 ATOM 2111 H2 TIP3 225 0.047 -7.233 0.638 1.00 0.00 WAT1 ATOM 2112 OH2 TIP3 226 0.321 -12.207 -15.177 1.00 0.00 WAT1 ATOM 2113 H1 TIP3 226 0.825 -11.851 -15.945 1.00 0.00 WAT1 ATOM 2114 H2 TIP3 226 0.947 -12.791 -14.734 1.00 0.00 WAT1 ATOM 2115 OH2 TIP3 227 -0.183 -18.671 -8.016 1.00 0.00 WAT1 ATOM 2116 H1 TIP3 227 -0.812 -19.326 -8.390 1.00 0.00 WAT1 ATOM 2117 H2 TIP3 227 -0.361 -17.857 -8.536 1.00 0.00 WAT1 ATOM 2118 OH2 TIP3 228 1.741 -20.193 -3.116 1.00 0.00 WAT1 ATOM 2119 H1 TIP3 228 0.989 -20.557 -2.596 1.00 0.00 WAT1 ATOM 2120 H2 TIP3 228 1.355 -20.009 -3.996 1.00 0.00 WAT1 ATOM 2121 OH2 TIP3 229 -6.918 -14.443 3.124 1.00 0.00 WAT1 ATOM 2122 H1 TIP3 229 -6.461 -15.133 3.649 1.00 0.00 WAT1 ATOM 2123 H2 TIP3 229 -7.844 -14.703 3.146 1.00 0.00 WAT1 ATOM 2124 OH2 TIP3 230 -1.820 -11.855 5.888 1.00 0.00 WAT1 ATOM 2125 H1 TIP3 230 -2.566 -11.629 5.297 1.00 0.00 WAT1 ATOM 2126 H2 TIP3 230 -1.808 -11.132 6.548 1.00 0.00 WAT1 ATOM 2127 OH2 TIP3 231 -0.511 -7.197 8.211 1.00 0.00 WAT1 ATOM 2128 H1 TIP3 231 -0.556 -6.593 8.961 1.00 0.00 WAT1 ATOM 2129 H2 TIP3 231 0.456 -7.373 8.102 1.00 0.00 WAT1 ATOM 2130 OH2 TIP3 232 -1.938 -8.853 4.967 1.00 0.00 WAT1 ATOM 2131 H1 TIP3 232 -2.604 -9.483 4.595 1.00 0.00 WAT1 ATOM 2132 H2 TIP3 232 -1.855 -9.125 5.908 1.00 0.00 WAT1 ATOM 2133 OH2 TIP3 233 -1.706 -9.617 7.583 1.00 0.00 WAT1 ATOM 2134 H1 TIP3 233 -1.238 -8.781 7.811 1.00 0.00 WAT1 ATOM 2135 H2 TIP3 233 -2.002 -9.960 8.435 1.00 0.00 WAT1 ATOM 2136 OH2 TIP3 234 10.536 -35.724 -39.522 1.00 0.00 WAT1 ATOM 2137 H1 TIP3 234 11.187 -36.433 -39.716 1.00 0.00 WAT1 ATOM 2138 H2 TIP3 234 9.690 -36.115 -39.746 1.00 0.00 WAT1 ATOM 2139 OH2 TIP3 235 13.577 -31.020 -42.316 1.00 0.00 WAT1 ATOM 2140 H1 TIP3 235 13.148 -31.886 -42.224 1.00 0.00 WAT1 ATOM 2141 H2 TIP3 235 14.306 -31.183 -42.953 1.00 0.00 WAT1 ATOM 2142 OH2 TIP3 236 6.373 -37.565 -32.287 1.00 0.00 WAT1 ATOM 2143 H1 TIP3 236 6.081 -36.725 -32.717 1.00 0.00 WAT1 ATOM 2144 H2 TIP3 236 5.549 -38.021 -32.081 1.00 0.00 WAT1 ATOM 2145 OH2 TIP3 237 14.293 -36.054 -40.426 1.00 0.00 WAT1 ATOM 2146 H1 TIP3 237 15.269 -36.119 -40.359 1.00 0.00 WAT1 ATOM 2147 H2 TIP3 237 14.146 -35.394 -41.138 1.00 0.00 WAT1 ATOM 2148 OH2 TIP3 238 11.564 -34.329 -37.396 1.00 0.00 WAT1 ATOM 2149 H1 TIP3 238 11.111 -34.802 -36.656 1.00 0.00 WAT1 ATOM 2150 H2 TIP3 238 11.120 -34.672 -38.205 1.00 0.00 WAT1 ATOM 2151 OH2 TIP3 239 17.106 -35.425 -34.628 1.00 0.00 WAT1 ATOM 2152 H1 TIP3 239 16.765 -36.209 -34.145 1.00 0.00 WAT1 ATOM 2153 H2 TIP3 239 18.048 -35.642 -34.792 1.00 0.00 WAT1 ATOM 2154 OH2 TIP3 240 14.194 -34.973 -37.764 1.00 0.00 WAT1 ATOM 2155 H1 TIP3 240 14.289 -35.378 -38.648 1.00 0.00 WAT1 ATOM 2156 H2 TIP3 240 13.246 -34.713 -37.724 1.00 0.00 WAT1 ATOM 2157 OH2 TIP3 241 8.663 -38.266 -30.797 1.00 0.00 WAT1 ATOM 2158 H1 TIP3 241 7.859 -37.979 -31.278 1.00 0.00 WAT1 ATOM 2159 H2 TIP3 241 8.411 -38.192 -29.840 1.00 0.00 WAT1 ATOM 2160 OH2 TIP3 242 8.550 -37.393 -34.160 1.00 0.00 WAT1 ATOM 2161 H1 TIP3 242 9.124 -38.131 -33.871 1.00 0.00 WAT1 ATOM 2162 H2 TIP3 242 7.738 -37.506 -33.642 1.00 0.00 WAT1 ATOM 2163 OH2 TIP3 243 1.616 -34.436 -36.934 1.00 0.00 WAT1 ATOM 2164 H1 TIP3 243 1.223 -34.899 -36.157 1.00 0.00 WAT1 ATOM 2165 H2 TIP3 243 0.835 -34.197 -37.486 1.00 0.00 WAT1 ATOM 2166 OH2 TIP3 244 8.381 -42.995 -34.515 1.00 0.00 WAT1 ATOM 2167 H1 TIP3 244 9.286 -42.617 -34.468 1.00 0.00 WAT1 ATOM 2168 H2 TIP3 244 8.032 -42.669 -35.349 1.00 0.00 WAT1 ATOM 2169 OH2 TIP3 245 3.603 -34.464 -31.546 1.00 0.00 WAT1 ATOM 2170 H1 TIP3 245 2.758 -34.961 -31.540 1.00 0.00 WAT1 ATOM 2171 H2 TIP3 245 4.147 -34.919 -32.220 1.00 0.00 WAT1 ATOM 2172 OH2 TIP3 246 17.020 -35.974 -39.865 1.00 0.00 WAT1 ATOM 2173 H1 TIP3 246 17.495 -36.829 -39.926 1.00 0.00 WAT1 ATOM 2174 H2 TIP3 246 17.340 -35.583 -39.028 1.00 0.00 WAT1 ATOM 2175 OH2 TIP3 247 13.620 -34.538 -34.987 1.00 0.00 WAT1 ATOM 2176 H1 TIP3 247 13.704 -35.028 -35.823 1.00 0.00 WAT1 ATOM 2177 H2 TIP3 247 13.228 -33.682 -35.250 1.00 0.00 WAT1 ATOM 2178 OH2 TIP3 248 8.098 -44.285 -32.123 1.00 0.00 WAT1 ATOM 2179 H1 TIP3 248 8.083 -43.823 -32.992 1.00 0.00 WAT1 ATOM 2180 H2 TIP3 248 7.749 -45.157 -32.315 1.00 0.00 WAT1 ATOM 2181 OH2 TIP3 249 16.500 -37.612 -33.089 1.00 0.00 WAT1 ATOM 2182 H1 TIP3 249 15.555 -37.889 -33.196 1.00 0.00 WAT1 ATOM 2183 H2 TIP3 249 16.593 -37.457 -32.127 1.00 0.00 WAT1 ATOM 2184 OH2 TIP3 250 10.524 -35.736 -35.273 1.00 0.00 WAT1 ATOM 2185 H1 TIP3 250 11.133 -35.924 -34.534 1.00 0.00 WAT1 ATOM 2186 H2 TIP3 250 9.718 -36.245 -35.052 1.00 0.00 WAT1 ATOM 2187 OH2 TIP3 251 12.250 -37.816 -39.992 1.00 0.00 WAT1 ATOM 2188 H1 TIP3 251 12.675 -38.555 -39.554 1.00 0.00 WAT1 ATOM 2189 H2 TIP3 251 12.993 -37.219 -40.234 1.00 0.00 WAT1 ATOM 2190 OH2 TIP3 252 3.811 -34.124 -35.212 1.00 0.00 WAT1 ATOM 2191 H1 TIP3 252 3.843 -33.167 -35.083 1.00 0.00 WAT1 ATOM 2192 H2 TIP3 252 3.049 -34.260 -35.813 1.00 0.00 WAT1 ATOM 2193 OH2 TIP3 253 1.035 -35.663 -31.236 1.00 0.00 WAT1 ATOM 2194 H1 TIP3 253 1.466 -36.116 -30.475 1.00 0.00 WAT1 ATOM 2195 H2 TIP3 253 0.077 -35.798 -31.076 1.00 0.00 WAT1 ATOM 2196 OH2 TIP3 254 10.002 -39.397 -32.917 1.00 0.00 WAT1 ATOM 2197 H1 TIP3 254 9.514 -39.159 -32.099 1.00 0.00 WAT1 ATOM 2198 H2 TIP3 254 10.896 -39.640 -32.600 1.00 0.00 WAT1 ATOM 2199 OH2 TIP3 255 12.361 -36.095 -33.175 1.00 0.00 WAT1 ATOM 2200 H1 TIP3 255 12.367 -35.661 -32.299 1.00 0.00 WAT1 ATOM 2201 H2 TIP3 255 12.890 -35.489 -33.745 1.00 0.00 WAT1 ATOM 2202 OH2 TIP3 256 13.819 -38.264 -30.307 1.00 0.00 WAT1 ATOM 2203 H1 TIP3 256 13.892 -39.066 -29.735 1.00 0.00 WAT1 ATOM 2204 H2 TIP3 256 14.748 -37.978 -30.429 1.00 0.00 WAT1 ATOM 2205 OH2 TIP3 257 10.795 -41.716 -34.185 1.00 0.00 WAT1 ATOM 2206 H1 TIP3 257 10.410 -40.843 -33.959 1.00 0.00 WAT1 ATOM 2207 H2 TIP3 257 11.738 -41.616 -33.982 1.00 0.00 WAT1 ATOM 2208 OH2 TIP3 258 13.927 -38.363 -33.297 1.00 0.00 WAT1 ATOM 2209 H1 TIP3 258 13.295 -37.615 -33.346 1.00 0.00 WAT1 ATOM 2210 H2 TIP3 258 13.433 -39.061 -32.828 1.00 0.00 WAT1 ATOM 2211 OH2 TIP3 259 15.765 -34.371 -32.363 1.00 0.00 WAT1 ATOM 2212 H1 TIP3 259 16.157 -34.655 -33.210 1.00 0.00 WAT1 ATOM 2213 H2 TIP3 259 16.460 -33.817 -31.950 1.00 0.00 WAT1 ATOM 2214 OH2 TIP3 260 18.459 -38.390 -39.568 1.00 0.00 WAT1 ATOM 2215 H1 TIP3 260 18.371 -38.910 -38.731 1.00 0.00 WAT1 ATOM 2216 H2 TIP3 260 18.682 -39.052 -40.232 1.00 0.00 WAT1 ATOM 2217 OH2 TIP3 261 17.436 -39.650 -34.726 1.00 0.00 WAT1 ATOM 2218 H1 TIP3 261 16.944 -40.389 -34.346 1.00 0.00 WAT1 ATOM 2219 H2 TIP3 261 17.092 -38.862 -34.248 1.00 0.00 WAT1 ATOM 2220 OH2 TIP3 262 14.315 -33.886 -42.248 1.00 0.00 WAT1 ATOM 2221 H1 TIP3 262 14.913 -33.549 -41.547 1.00 0.00 WAT1 ATOM 2222 H2 TIP3 262 14.724 -33.585 -43.074 1.00 0.00 WAT1 ATOM 2223 OH2 TIP3 263 0.510 -35.355 -34.665 1.00 0.00 WAT1 ATOM 2224 H1 TIP3 263 0.439 -34.603 -34.042 1.00 0.00 WAT1 ATOM 2225 H2 TIP3 263 0.269 -36.121 -34.138 1.00 0.00 WAT1 ATOM 2226 OH2 TIP3 264 5.544 -35.252 -33.474 1.00 0.00 WAT1 ATOM 2227 H1 TIP3 264 6.269 -34.602 -33.522 1.00 0.00 WAT1 ATOM 2228 H2 TIP3 264 4.941 -34.992 -34.213 1.00 0.00 WAT1 ATOM 2229 OH2 TIP3 265 2.663 -32.064 -32.509 1.00 0.00 WAT1 ATOM 2230 H1 TIP3 265 3.094 -32.827 -32.074 1.00 0.00 WAT1 ATOM 2231 H2 TIP3 265 3.400 -31.613 -32.990 1.00 0.00 WAT1 ATOM 2232 OH2 TIP3 266 12.917 -32.159 -36.329 1.00 0.00 WAT1 ATOM 2233 H1 TIP3 266 13.441 -32.021 -37.146 1.00 0.00 WAT1 ATOM 2234 H2 TIP3 266 12.138 -32.669 -36.632 1.00 0.00 WAT1 ATOM 2235 OH2 TIP3 267 3.280 -29.936 -35.839 1.00 0.00 WAT1 ATOM 2236 H1 TIP3 267 3.778 -30.387 -35.104 1.00 0.00 WAT1 ATOM 2237 H2 TIP3 267 2.367 -30.288 -35.762 1.00 0.00 WAT1 ATOM 2238 OH2 TIP3 268 8.785 -31.771 -35.311 1.00 0.00 WAT1 ATOM 2239 H1 TIP3 268 7.961 -31.316 -35.017 1.00 0.00 WAT1 ATOM 2240 H2 TIP3 268 8.780 -32.603 -34.822 1.00 0.00 WAT1 ATOM 2241 OH2 TIP3 269 11.650 -38.275 -24.213 1.00 0.00 WAT1 ATOM 2242 H1 TIP3 269 12.470 -37.726 -24.108 1.00 0.00 WAT1 ATOM 2243 H2 TIP3 269 11.163 -38.133 -23.366 1.00 0.00 WAT1 ATOM 2244 OH2 TIP3 270 5.737 -43.796 -24.300 1.00 0.00 WAT1 ATOM 2245 H1 TIP3 270 6.104 -44.320 -23.558 1.00 0.00 WAT1 ATOM 2246 H2 TIP3 270 6.244 -44.102 -25.079 1.00 0.00 WAT1 ATOM 2247 OH2 TIP3 271 3.975 -38.887 -25.497 1.00 0.00 WAT1 ATOM 2248 H1 TIP3 271 4.350 -39.792 -25.544 1.00 0.00 WAT1 ATOM 2249 H2 TIP3 271 4.349 -38.435 -26.270 1.00 0.00 WAT1 ATOM 2250 OH2 TIP3 272 11.339 -43.303 -23.958 1.00 0.00 WAT1 ATOM 2251 H1 TIP3 272 11.913 -42.535 -23.746 1.00 0.00 WAT1 ATOM 2252 H2 TIP3 272 10.979 -43.574 -23.083 1.00 0.00 WAT1 ATOM 2253 OH2 TIP3 273 4.739 -42.230 -22.210 1.00 0.00 WAT1 ATOM 2254 H1 TIP3 273 3.827 -42.010 -22.509 1.00 0.00 WAT1 ATOM 2255 H2 TIP3 273 5.138 -42.685 -22.980 1.00 0.00 WAT1 ATOM 2256 OH2 TIP3 274 3.790 -44.263 -17.968 1.00 0.00 WAT1 ATOM 2257 H1 TIP3 274 3.536 -45.168 -17.768 1.00 0.00 WAT1 ATOM 2258 H2 TIP3 274 4.194 -44.319 -18.866 1.00 0.00 WAT1 ATOM 2259 OH2 TIP3 275 4.960 -44.320 -20.422 1.00 0.00 WAT1 ATOM 2260 H1 TIP3 275 5.593 -44.809 -20.979 1.00 0.00 WAT1 ATOM 2261 H2 TIP3 275 4.699 -43.559 -20.974 1.00 0.00 WAT1 ATOM 2262 OH2 TIP3 276 0.229 -35.561 -27.387 1.00 0.00 WAT1 ATOM 2263 H1 TIP3 276 0.796 -35.033 -26.789 1.00 0.00 WAT1 ATOM 2264 H2 TIP3 276 -0.460 -34.926 -27.680 1.00 0.00 WAT1 ATOM 2265 OH2 TIP3 277 10.758 -40.549 -29.810 1.00 0.00 WAT1 ATOM 2266 H1 TIP3 277 10.564 -40.893 -28.908 1.00 0.00 WAT1 ATOM 2267 H2 TIP3 277 10.442 -41.268 -30.410 1.00 0.00 WAT1 ATOM 2268 OH2 TIP3 278 12.415 -40.436 -32.074 1.00 0.00 WAT1 ATOM 2269 H1 TIP3 278 12.019 -40.525 -31.184 1.00 0.00 WAT1 ATOM 2270 H2 TIP3 278 13.179 -41.064 -32.057 1.00 0.00 WAT1 ATOM 2271 OH2 TIP3 279 18.059 -39.988 -20.260 1.00 0.00 WAT1 ATOM 2272 H1 TIP3 279 17.197 -40.456 -20.270 1.00 0.00 WAT1 ATOM 2273 H2 TIP3 279 17.997 -39.364 -21.010 1.00 0.00 WAT1 ATOM 2274 OH2 TIP3 280 14.704 -41.255 -24.657 1.00 0.00 WAT1 ATOM 2275 H1 TIP3 280 14.016 -41.244 -23.956 1.00 0.00 WAT1 ATOM 2276 H2 TIP3 280 15.145 -40.400 -24.568 1.00 0.00 WAT1 ATOM 2277 OH2 TIP3 281 13.965 -40.806 -18.283 1.00 0.00 WAT1 ATOM 2278 H1 TIP3 281 14.642 -40.722 -18.981 1.00 0.00 WAT1 ATOM 2279 H2 TIP3 281 14.088 -40.019 -17.734 1.00 0.00 WAT1 ATOM 2280 OH2 TIP3 282 15.058 -43.664 -29.462 1.00 0.00 WAT1 ATOM 2281 H1 TIP3 282 15.490 -44.436 -29.058 1.00 0.00 WAT1 ATOM 2282 H2 TIP3 282 14.624 -43.218 -28.710 1.00 0.00 WAT1 ATOM 2283 OH2 TIP3 283 4.836 -41.874 -17.243 1.00 0.00 WAT1 ATOM 2284 H1 TIP3 283 4.409 -42.761 -17.343 1.00 0.00 WAT1 ATOM 2285 H2 TIP3 283 5.069 -41.619 -18.161 1.00 0.00 WAT1 ATOM 2286 OH2 TIP3 284 4.220 -36.222 -27.444 1.00 0.00 WAT1 ATOM 2287 H1 TIP3 284 5.076 -36.693 -27.264 1.00 0.00 WAT1 ATOM 2288 H2 TIP3 284 4.039 -35.741 -26.629 1.00 0.00 WAT1 ATOM 2289 OH2 TIP3 285 17.620 -32.959 -30.965 1.00 0.00 WAT1 ATOM 2290 H1 TIP3 285 17.540 -32.229 -30.319 1.00 0.00 WAT1 ATOM 2291 H2 TIP3 285 18.589 -33.066 -31.092 1.00 0.00 WAT1 ATOM 2292 OH2 TIP3 286 3.661 -39.435 -19.659 1.00 0.00 WAT1 ATOM 2293 H1 TIP3 286 2.926 -39.441 -20.303 1.00 0.00 WAT1 ATOM 2294 H2 TIP3 286 3.370 -38.816 -18.976 1.00 0.00 WAT1 ATOM 2295 OH2 TIP3 287 11.817 -42.954 -13.972 1.00 0.00 WAT1 ATOM 2296 H1 TIP3 287 11.810 -43.489 -14.773 1.00 0.00 WAT1 ATOM 2297 H2 TIP3 287 12.252 -42.115 -14.249 1.00 0.00 WAT1 ATOM 2298 OH2 TIP3 288 5.636 -41.199 -19.839 1.00 0.00 WAT1 ATOM 2299 H1 TIP3 288 5.467 -41.627 -20.706 1.00 0.00 WAT1 ATOM 2300 H2 TIP3 288 4.950 -40.488 -19.788 1.00 0.00 WAT1 ATOM 2301 OH2 TIP3 289 14.491 -42.105 -31.680 1.00 0.00 WAT1 ATOM 2302 H1 TIP3 289 15.253 -41.595 -31.354 1.00 0.00 WAT1 ATOM 2303 H2 TIP3 289 14.465 -42.887 -31.094 1.00 0.00 WAT1 ATOM 2304 OH2 TIP3 290 7.091 -44.992 -22.114 1.00 0.00 WAT1 ATOM 2305 H1 TIP3 290 7.610 -45.205 -21.325 1.00 0.00 WAT1 ATOM 2306 H2 TIP3 290 7.771 -44.855 -22.816 1.00 0.00 WAT1 ATOM 2307 OH2 TIP3 291 5.029 -41.445 -25.605 1.00 0.00 WAT1 ATOM 2308 H1 TIP3 291 5.071 -42.282 -25.100 1.00 0.00 WAT1 ATOM 2309 H2 TIP3 291 5.860 -41.442 -26.126 1.00 0.00 WAT1 ATOM 2310 OH2 TIP3 292 10.125 -41.579 -27.378 1.00 0.00 WAT1 ATOM 2311 H1 TIP3 292 10.124 -41.035 -26.555 1.00 0.00 WAT1 ATOM 2312 H2 TIP3 292 10.741 -42.314 -27.179 1.00 0.00 WAT1 ATOM 2313 OH2 TIP3 293 12.952 -40.566 -14.736 1.00 0.00 WAT1 ATOM 2314 H1 TIP3 293 13.647 -40.574 -14.033 1.00 0.00 WAT1 ATOM 2315 H2 TIP3 293 13.332 -40.000 -15.434 1.00 0.00 WAT1 ATOM 2316 OH2 TIP3 294 10.032 -40.187 -25.083 1.00 0.00 WAT1 ATOM 2317 H1 TIP3 294 9.950 -40.682 -24.239 1.00 0.00 WAT1 ATOM 2318 H2 TIP3 294 10.768 -39.545 -24.914 1.00 0.00 WAT1 ATOM 2319 OH2 TIP3 295 7.571 -42.640 -17.127 1.00 0.00 WAT1 ATOM 2320 H1 TIP3 295 7.962 -42.303 -16.296 1.00 0.00 WAT1 ATOM 2321 H2 TIP3 295 6.623 -42.437 -17.044 1.00 0.00 WAT1 ATOM 2322 OH2 TIP3 296 12.739 -41.273 -22.763 1.00 0.00 WAT1 ATOM 2323 H1 TIP3 296 12.408 -40.357 -22.637 1.00 0.00 WAT1 ATOM 2324 H2 TIP3 296 12.677 -41.668 -21.870 1.00 0.00 WAT1 ATOM 2325 OH2 TIP3 297 11.819 -43.627 -26.600 1.00 0.00 WAT1 ATOM 2326 H1 TIP3 297 11.611 -44.542 -26.823 1.00 0.00 WAT1 ATOM 2327 H2 TIP3 297 11.657 -43.572 -25.628 1.00 0.00 WAT1 ATOM 2328 OH2 TIP3 298 2.240 -41.755 -23.217 1.00 0.00 WAT1 ATOM 2329 H1 TIP3 298 2.058 -40.890 -23.642 1.00 0.00 WAT1 ATOM 2330 H2 TIP3 298 1.786 -42.393 -23.778 1.00 0.00 WAT1 ATOM 2331 OH2 TIP3 299 8.800 -44.498 -24.159 1.00 0.00 WAT1 ATOM 2332 H1 TIP3 299 9.650 -44.037 -24.257 1.00 0.00 WAT1 ATOM 2333 H2 TIP3 299 8.425 -44.507 -25.064 1.00 0.00 WAT1 ATOM 2334 OH2 TIP3 300 7.424 -44.286 -26.533 1.00 0.00 WAT1 ATOM 2335 H1 TIP3 300 7.294 -44.738 -27.374 1.00 0.00 WAT1 ATOM 2336 H2 TIP3 300 7.413 -43.328 -26.770 1.00 0.00 WAT1 ATOM 2337 OH2 TIP3 301 7.504 -39.870 -18.347 1.00 0.00 WAT1 ATOM 2338 H1 TIP3 301 8.281 -40.440 -18.353 1.00 0.00 WAT1 ATOM 2339 H2 TIP3 301 6.885 -40.304 -18.968 1.00 0.00 WAT1 ATOM 2340 OH2 TIP3 302 9.612 -40.913 -22.508 1.00 0.00 WAT1 ATOM 2341 H1 TIP3 302 10.242 -40.353 -21.996 1.00 0.00 WAT1 ATOM 2342 H2 TIP3 302 9.712 -41.807 -22.117 1.00 0.00 WAT1 ATOM 2343 OH2 TIP3 303 10.305 -43.326 -21.394 1.00 0.00 WAT1 ATOM 2344 H1 TIP3 303 11.004 -42.963 -20.805 1.00 0.00 WAT1 ATOM 2345 H2 TIP3 303 9.544 -43.486 -20.791 1.00 0.00 WAT1 ATOM 2346 OH2 TIP3 304 17.511 -38.217 -22.273 1.00 0.00 WAT1 ATOM 2347 H1 TIP3 304 17.435 -38.177 -23.252 1.00 0.00 WAT1 ATOM 2348 H2 TIP3 304 16.604 -38.048 -21.962 1.00 0.00 WAT1 ATOM 2349 OH2 TIP3 305 15.988 -44.802 -27.030 1.00 0.00 WAT1 ATOM 2350 H1 TIP3 305 15.510 -43.964 -26.886 1.00 0.00 WAT1 ATOM 2351 H2 TIP3 305 16.441 -44.964 -26.200 1.00 0.00 WAT1 ATOM 2352 OH2 TIP3 306 2.638 -40.345 -16.175 1.00 0.00 WAT1 ATOM 2353 H1 TIP3 306 1.895 -40.669 -16.691 1.00 0.00 WAT1 ATOM 2354 H2 TIP3 306 3.396 -40.871 -16.489 1.00 0.00 WAT1 ATOM 2355 OH2 TIP3 307 10.353 -39.570 -15.197 1.00 0.00 WAT1 ATOM 2356 H1 TIP3 307 11.217 -39.992 -15.005 1.00 0.00 WAT1 ATOM 2357 H2 TIP3 307 9.714 -40.314 -15.177 1.00 0.00 WAT1 ATOM 2358 OH2 TIP3 308 16.298 -37.117 -30.230 1.00 0.00 WAT1 ATOM 2359 H1 TIP3 308 16.116 -36.179 -30.009 1.00 0.00 WAT1 ATOM 2360 H2 TIP3 308 16.780 -37.451 -29.453 1.00 0.00 WAT1 ATOM 2361 OH2 TIP3 309 14.503 -38.826 -22.029 1.00 0.00 WAT1 ATOM 2362 H1 TIP3 309 14.379 -38.084 -22.681 1.00 0.00 WAT1 ATOM 2363 H2 TIP3 309 13.678 -38.818 -21.513 1.00 0.00 WAT1 ATOM 2364 OH2 TIP3 310 3.492 -40.792 -27.965 1.00 0.00 WAT1 ATOM 2365 H1 TIP3 310 4.322 -40.439 -28.347 1.00 0.00 WAT1 ATOM 2366 H2 TIP3 310 3.772 -41.209 -27.137 1.00 0.00 WAT1 ATOM 2367 OH2 TIP3 311 18.331 -33.665 -27.515 1.00 0.00 WAT1 ATOM 2368 H1 TIP3 311 18.664 -32.747 -27.457 1.00 0.00 WAT1 ATOM 2369 H2 TIP3 311 17.959 -33.841 -26.623 1.00 0.00 WAT1 ATOM 2370 OH2 TIP3 312 14.228 -40.341 -28.713 1.00 0.00 WAT1 ATOM 2371 H1 TIP3 312 14.099 -41.012 -28.022 1.00 0.00 WAT1 ATOM 2372 H2 TIP3 312 15.112 -40.552 -29.088 1.00 0.00 WAT1 ATOM 2373 OH2 TIP3 313 5.991 -39.801 -28.550 1.00 0.00 WAT1 ATOM 2374 H1 TIP3 313 6.404 -39.696 -29.413 1.00 0.00 WAT1 ATOM 2375 H2 TIP3 313 6.296 -39.010 -28.040 1.00 0.00 WAT1 ATOM 2376 OH2 TIP3 314 12.159 -41.789 -20.099 1.00 0.00 WAT1 ATOM 2377 H1 TIP3 314 12.739 -41.681 -19.314 1.00 0.00 WAT1 ATOM 2378 H2 TIP3 314 11.889 -40.862 -20.322 1.00 0.00 WAT1 ATOM 2379 OH2 TIP3 315 14.320 -42.562 -27.004 1.00 0.00 WAT1 ATOM 2380 H1 TIP3 315 13.410 -42.915 -26.878 1.00 0.00 WAT1 ATOM 2381 H2 TIP3 315 14.516 -42.092 -26.154 1.00 0.00 WAT1 ATOM 2382 OH2 TIP3 316 5.723 -33.433 -14.176 1.00 0.00 WAT1 ATOM 2383 H1 TIP3 316 6.518 -33.990 -14.336 1.00 0.00 WAT1 ATOM 2384 H2 TIP3 316 4.975 -34.015 -14.435 1.00 0.00 WAT1 ATOM 2385 OH2 TIP3 317 13.708 -35.305 -30.826 1.00 0.00 WAT1 ATOM 2386 H1 TIP3 317 13.920 -36.251 -30.781 1.00 0.00 WAT1 ATOM 2387 H2 TIP3 317 14.428 -34.922 -31.378 1.00 0.00 WAT1 ATOM 2388 OH2 TIP3 318 6.208 -39.804 -15.937 1.00 0.00 WAT1 ATOM 2389 H1 TIP3 318 6.724 -39.611 -16.754 1.00 0.00 WAT1 ATOM 2390 H2 TIP3 318 5.580 -40.499 -16.214 1.00 0.00 WAT1 ATOM 2391 OH2 TIP3 319 8.838 -37.626 -13.918 1.00 0.00 WAT1 ATOM 2392 H1 TIP3 319 9.156 -37.819 -13.015 1.00 0.00 WAT1 ATOM 2393 H2 TIP3 319 9.302 -38.284 -14.477 1.00 0.00 WAT1 ATOM 2394 OH2 TIP3 320 7.376 -41.634 -27.089 1.00 0.00 WAT1 ATOM 2395 H1 TIP3 320 6.949 -40.999 -27.704 1.00 0.00 WAT1 ATOM 2396 H2 TIP3 320 8.337 -41.521 -27.259 1.00 0.00 WAT1 ATOM 2397 OH2 TIP3 321 8.086 -43.417 -19.726 1.00 0.00 WAT1 ATOM 2398 H1 TIP3 321 8.035 -43.221 -18.763 1.00 0.00 WAT1 ATOM 2399 H2 TIP3 321 7.180 -43.293 -20.038 1.00 0.00 WAT1 ATOM 2400 OH2 TIP3 322 10.088 -42.492 -31.530 1.00 0.00 WAT1 ATOM 2401 H1 TIP3 322 9.386 -43.178 -31.550 1.00 0.00 WAT1 ATOM 2402 H2 TIP3 322 10.336 -42.380 -32.463 1.00 0.00 WAT1 ATOM 2403 OH2 TIP3 323 16.492 -41.272 -29.950 1.00 0.00 WAT1 ATOM 2404 H1 TIP3 323 16.314 -42.211 -29.746 1.00 0.00 WAT1 ATOM 2405 H2 TIP3 323 17.307 -41.297 -30.503 1.00 0.00 WAT1 ATOM 2406 OH2 TIP3 324 17.932 -39.668 -12.686 1.00 0.00 WAT1 ATOM 2407 H1 TIP3 324 17.906 -39.284 -13.580 1.00 0.00 WAT1 ATOM 2408 H2 TIP3 324 18.752 -40.211 -12.680 1.00 0.00 WAT1 ATOM 2409 OH2 TIP3 325 19.805 -43.347 -10.240 1.00 0.00 WAT1 ATOM 2410 H1 TIP3 325 19.694 -42.668 -9.543 1.00 0.00 WAT1 ATOM 2411 H2 TIP3 325 19.365 -42.967 -11.012 1.00 0.00 WAT1 ATOM 2412 OH2 TIP3 326 5.208 -34.374 -29.286 1.00 0.00 WAT1 ATOM 2413 H1 TIP3 326 4.824 -34.995 -28.638 1.00 0.00 WAT1 ATOM 2414 H2 TIP3 326 4.590 -34.407 -30.045 1.00 0.00 WAT1 ATOM 2415 OH2 TIP3 327 17.196 -36.614 -27.488 1.00 0.00 WAT1 ATOM 2416 H1 TIP3 327 18.008 -36.277 -27.070 1.00 0.00 WAT1 ATOM 2417 H2 TIP3 327 16.867 -35.859 -28.014 1.00 0.00 WAT1 ATOM 2418 OH2 TIP3 328 19.209 -36.217 -25.373 1.00 0.00 WAT1 ATOM 2419 H1 TIP3 328 18.652 -36.969 -25.092 1.00 0.00 WAT1 ATOM 2420 H2 TIP3 328 20.044 -36.334 -24.875 1.00 0.00 WAT1 ATOM 2421 OH2 TIP3 329 16.889 -37.717 -24.905 1.00 0.00 WAT1 ATOM 2422 H1 TIP3 329 16.765 -37.540 -25.860 1.00 0.00 WAT1 ATOM 2423 H2 TIP3 329 16.272 -37.081 -24.460 1.00 0.00 WAT1 ATOM 2424 OH2 TIP3 330 1.184 -37.698 -19.463 1.00 0.00 WAT1 ATOM 2425 H1 TIP3 330 0.241 -37.661 -19.178 1.00 0.00 WAT1 ATOM 2426 H2 TIP3 330 1.188 -38.369 -20.176 1.00 0.00 WAT1 ATOM 2427 OH2 TIP3 331 14.810 -42.243 -10.696 1.00 0.00 WAT1 ATOM 2428 H1 TIP3 331 15.393 -42.583 -9.987 1.00 0.00 WAT1 ATOM 2429 H2 TIP3 331 14.268 -43.020 -10.956 1.00 0.00 WAT1 ATOM 2430 OH2 TIP3 332 15.509 -40.910 -20.647 1.00 0.00 WAT1 ATOM 2431 H1 TIP3 332 15.212 -40.160 -21.219 1.00 0.00 WAT1 ATOM 2432 H2 TIP3 332 15.194 -41.696 -21.106 1.00 0.00 WAT1 ATOM 2433 OH2 TIP3 333 1.537 -39.600 -21.422 1.00 0.00 WAT1 ATOM 2434 H1 TIP3 333 1.551 -39.254 -22.342 1.00 0.00 WAT1 ATOM 2435 H2 TIP3 333 1.545 -40.564 -21.536 1.00 0.00 WAT1 ATOM 2436 OH2 TIP3 334 7.532 -35.383 -14.900 1.00 0.00 WAT1 ATOM 2437 H1 TIP3 334 7.448 -35.524 -15.865 1.00 0.00 WAT1 ATOM 2438 H2 TIP3 334 8.044 -36.160 -14.586 1.00 0.00 WAT1 ATOM 2439 OH2 TIP3 335 16.204 -34.542 -29.159 1.00 0.00 WAT1 ATOM 2440 H1 TIP3 335 16.423 -33.971 -28.405 1.00 0.00 WAT1 ATOM 2441 H2 TIP3 335 16.654 -34.115 -29.917 1.00 0.00 WAT1 ATOM 2442 OH2 TIP3 336 16.941 -38.797 -6.774 1.00 0.00 WAT1 ATOM 2443 H1 TIP3 336 16.271 -38.476 -7.435 1.00 0.00 WAT1 ATOM 2444 H2 TIP3 336 17.791 -38.746 -7.255 1.00 0.00 WAT1 ATOM 2445 OH2 TIP3 337 14.043 -38.309 -5.763 1.00 0.00 WAT1 ATOM 2446 H1 TIP3 337 14.901 -38.686 -5.526 1.00 0.00 WAT1 ATOM 2447 H2 TIP3 337 14.123 -38.121 -6.728 1.00 0.00 WAT1 ATOM 2448 OH2 TIP3 338 12.404 -40.358 -4.896 1.00 0.00 WAT1 ATOM 2449 H1 TIP3 338 12.862 -39.575 -5.271 1.00 0.00 WAT1 ATOM 2450 H2 TIP3 338 12.550 -41.054 -5.552 1.00 0.00 WAT1 ATOM 2451 OH2 TIP3 339 17.481 -34.966 -5.493 1.00 0.00 WAT1 ATOM 2452 H1 TIP3 339 16.552 -35.131 -5.699 1.00 0.00 WAT1 ATOM 2453 H2 TIP3 339 17.830 -35.844 -5.238 1.00 0.00 WAT1 ATOM 2454 OH2 TIP3 340 13.108 -37.132 -1.505 1.00 0.00 WAT1 ATOM 2455 H1 TIP3 340 12.700 -38.010 -1.658 1.00 0.00 WAT1 ATOM 2456 H2 TIP3 340 13.898 -37.141 -2.052 1.00 0.00 WAT1 ATOM 2457 OH2 TIP3 341 12.202 -40.929 -10.712 1.00 0.00 WAT1 ATOM 2458 H1 TIP3 341 12.947 -41.458 -11.048 1.00 0.00 WAT1 ATOM 2459 H2 TIP3 341 12.526 -40.591 -9.851 1.00 0.00 WAT1 ATOM 2460 OH2 TIP3 342 15.015 -40.650 -12.907 1.00 0.00 WAT1 ATOM 2461 H1 TIP3 342 14.973 -41.196 -12.090 1.00 0.00 WAT1 ATOM 2462 H2 TIP3 342 15.896 -40.247 -12.875 1.00 0.00 WAT1 ATOM 2463 OH2 TIP3 343 10.298 -38.051 -3.594 1.00 0.00 WAT1 ATOM 2464 H1 TIP3 343 10.896 -38.512 -2.974 1.00 0.00 WAT1 ATOM 2465 H2 TIP3 343 10.038 -38.734 -4.221 1.00 0.00 WAT1 ATOM 2466 OH2 TIP3 344 18.358 -33.048 -3.785 1.00 0.00 WAT1 ATOM 2467 H1 TIP3 344 19.210 -33.396 -3.472 1.00 0.00 WAT1 ATOM 2468 H2 TIP3 344 18.079 -33.681 -4.485 1.00 0.00 WAT1 ATOM 2469 OH2 TIP3 345 19.251 -32.690 3.721 1.00 0.00 WAT1 ATOM 2470 H1 TIP3 345 19.692 -31.854 3.989 1.00 0.00 WAT1 ATOM 2471 H2 TIP3 345 18.319 -32.434 3.600 1.00 0.00 WAT1 ATOM 2472 OH2 TIP3 346 1.927 -32.277 -6.233 1.00 0.00 WAT1 ATOM 2473 H1 TIP3 346 1.985 -32.883 -5.486 1.00 0.00 WAT1 ATOM 2474 H2 TIP3 346 2.819 -31.856 -6.273 1.00 0.00 WAT1 ATOM 2475 OH2 TIP3 347 13.338 -40.022 -8.410 1.00 0.00 WAT1 ATOM 2476 H1 TIP3 347 13.750 -40.734 -7.878 1.00 0.00 WAT1 ATOM 2477 H2 TIP3 347 14.061 -39.357 -8.529 1.00 0.00 WAT1 ATOM 2478 OH2 TIP3 348 11.592 -49.028 -11.298 1.00 0.00 WAT1 ATOM 2479 H1 TIP3 348 11.036 -49.405 -11.983 1.00 0.00 WAT1 ATOM 2480 H2 TIP3 348 11.535 -49.654 -10.575 1.00 0.00 WAT1 ATOM 2481 OH2 TIP3 349 14.273 -44.673 -6.162 1.00 0.00 WAT1 ATOM 2482 H1 TIP3 349 14.001 -45.372 -5.561 1.00 0.00 WAT1 ATOM 2483 H2 TIP3 349 14.915 -45.108 -6.760 1.00 0.00 WAT1 ATOM 2484 OH2 TIP3 350 17.321 -30.572 3.515 1.00 0.00 WAT1 ATOM 2485 H1 TIP3 350 18.266 -30.371 3.689 1.00 0.00 WAT1 ATOM 2486 H2 TIP3 350 16.849 -29.774 3.829 1.00 0.00 WAT1 ATOM 2487 OH2 TIP3 351 11.250 -38.353 -8.771 1.00 0.00 WAT1 ATOM 2488 H1 TIP3 351 10.722 -38.829 -9.431 1.00 0.00 WAT1 ATOM 2489 H2 TIP3 351 11.989 -38.971 -8.564 1.00 0.00 WAT1 ATOM 2490 OH2 TIP3 352 12.167 -39.651 -2.280 1.00 0.00 WAT1 ATOM 2491 H1 TIP3 352 12.290 -39.967 -3.208 1.00 0.00 WAT1 ATOM 2492 H2 TIP3 352 12.096 -40.462 -1.763 1.00 0.00 WAT1 ATOM 2493 OH2 TIP3 353 10.080 -41.427 -12.399 1.00 0.00 WAT1 ATOM 2494 H1 TIP3 353 10.712 -41.351 -11.651 1.00 0.00 WAT1 ATOM 2495 H2 TIP3 353 10.509 -42.064 -13.004 1.00 0.00 WAT1 ATOM 2496 OH2 TIP3 354 14.324 -35.573 -5.531 1.00 0.00 WAT1 ATOM 2497 H1 TIP3 354 14.350 -35.603 -6.519 1.00 0.00 WAT1 ATOM 2498 H2 TIP3 354 14.092 -36.488 -5.275 1.00 0.00 WAT1 ATOM 2499 OH2 TIP3 355 17.670 -47.118 -9.704 1.00 0.00 WAT1 ATOM 2500 H1 TIP3 355 17.813 -48.073 -9.705 1.00 0.00 WAT1 ATOM 2501 H2 TIP3 355 17.321 -46.929 -10.585 1.00 0.00 WAT1 ATOM 2502 OH2 TIP3 356 15.613 -34.914 -0.767 1.00 0.00 WAT1 ATOM 2503 H1 TIP3 356 15.646 -35.638 -0.132 1.00 0.00 WAT1 ATOM 2504 H2 TIP3 356 16.515 -34.517 -0.725 1.00 0.00 WAT1 ATOM 2505 OH2 TIP3 357 16.468 -41.017 -5.293 1.00 0.00 WAT1 ATOM 2506 H1 TIP3 357 16.657 -40.241 -5.861 1.00 0.00 WAT1 ATOM 2507 H2 TIP3 357 15.640 -41.387 -5.663 1.00 0.00 WAT1 ATOM 2508 OH2 TIP3 358 6.503 -34.977 -5.221 1.00 0.00 WAT1 ATOM 2509 H1 TIP3 358 7.098 -34.368 -4.736 1.00 0.00 WAT1 ATOM 2510 H2 TIP3 358 6.404 -35.730 -4.631 1.00 0.00 WAT1 ATOM 2511 OH2 TIP3 359 7.361 -34.168 -7.690 1.00 0.00 WAT1 ATOM 2512 H1 TIP3 359 6.915 -34.586 -8.459 1.00 0.00 WAT1 ATOM 2513 H2 TIP3 359 6.933 -34.584 -6.910 1.00 0.00 WAT1 ATOM 2514 OH2 TIP3 360 11.009 -33.464 -2.359 1.00 0.00 WAT1 ATOM 2515 H1 TIP3 360 11.682 -33.092 -2.970 1.00 0.00 WAT1 ATOM 2516 H2 TIP3 360 11.539 -33.854 -1.630 1.00 0.00 WAT1 ATOM 2517 OH2 TIP3 361 12.833 -34.547 -0.588 1.00 0.00 WAT1 ATOM 2518 H1 TIP3 361 12.757 -35.509 -0.785 1.00 0.00 WAT1 ATOM 2519 H2 TIP3 361 13.794 -34.371 -0.645 1.00 0.00 WAT1 ATOM 2520 OH2 TIP3 362 15.277 -33.623 -3.202 1.00 0.00 WAT1 ATOM 2521 H1 TIP3 362 15.376 -34.142 -2.377 1.00 0.00 WAT1 ATOM 2522 H2 TIP3 362 15.343 -34.284 -3.908 1.00 0.00 WAT1 ATOM 2523 OH2 TIP3 363 11.848 -34.268 -6.300 1.00 0.00 WAT1 ATOM 2524 H1 TIP3 363 11.298 -34.665 -5.581 1.00 0.00 WAT1 ATOM 2525 H2 TIP3 363 12.729 -34.673 -6.173 1.00 0.00 WAT1 ATOM 2526 OH2 TIP3 364 14.448 -42.048 -6.886 1.00 0.00 WAT1 ATOM 2527 H1 TIP3 364 14.177 -42.915 -6.503 1.00 0.00 WAT1 ATOM 2528 H2 TIP3 364 15.028 -42.296 -7.637 1.00 0.00 WAT1 ATOM 2529 OH2 TIP3 365 6.094 -35.248 -9.914 1.00 0.00 WAT1 ATOM 2530 H1 TIP3 365 5.660 -34.509 -10.355 1.00 0.00 WAT1 ATOM 2531 H2 TIP3 365 5.819 -36.022 -10.421 1.00 0.00 WAT1 ATOM 2532 OH2 TIP3 366 1.830 -33.229 -8.832 1.00 0.00 WAT1 ATOM 2533 H1 TIP3 366 1.158 -33.916 -8.830 1.00 0.00 WAT1 ATOM 2534 H2 TIP3 366 1.827 -32.887 -7.915 1.00 0.00 WAT1 ATOM 2535 OH2 TIP3 367 5.348 -37.558 -14.597 1.00 0.00 WAT1 ATOM 2536 H1 TIP3 367 5.497 -38.396 -15.089 1.00 0.00 WAT1 ATOM 2537 H2 TIP3 367 6.215 -37.349 -14.223 1.00 0.00 WAT1 ATOM 2538 OH2 TIP3 368 8.261 -41.312 -14.788 1.00 0.00 WAT1 ATOM 2539 H1 TIP3 368 8.311 -41.413 -13.822 1.00 0.00 WAT1 ATOM 2540 H2 TIP3 368 7.498 -40.712 -14.930 1.00 0.00 WAT1 ATOM 2541 OH2 TIP3 369 10.156 -38.762 -11.660 1.00 0.00 WAT1 ATOM 2542 H1 TIP3 369 9.868 -39.659 -11.929 1.00 0.00 WAT1 ATOM 2543 H2 TIP3 369 11.122 -38.816 -11.671 1.00 0.00 WAT1 ATOM 2544 OH2 TIP3 370 1.887 -38.097 -14.721 1.00 0.00 WAT1 ATOM 2545 H1 TIP3 370 2.739 -37.664 -14.583 1.00 0.00 WAT1 ATOM 2546 H2 TIP3 370 2.116 -38.933 -15.182 1.00 0.00 WAT1 ATOM 2547 OH2 TIP3 371 18.105 -33.868 -0.795 1.00 0.00 WAT1 ATOM 2548 H1 TIP3 371 18.557 -34.474 -1.425 1.00 0.00 WAT1 ATOM 2549 H2 TIP3 371 18.812 -33.618 -0.155 1.00 0.00 WAT1 ATOM 2550 OH2 TIP3 372 16.344 -45.808 -7.644 1.00 0.00 WAT1 ATOM 2551 H1 TIP3 372 16.852 -46.081 -6.843 1.00 0.00 WAT1 ATOM 2552 H2 TIP3 372 16.774 -46.296 -8.376 1.00 0.00 WAT1 ATOM 2553 OH2 TIP3 373 18.311 -37.486 -4.741 1.00 0.00 WAT1 ATOM 2554 H1 TIP3 373 19.174 -37.955 -4.784 1.00 0.00 WAT1 ATOM 2555 H2 TIP3 373 17.729 -38.005 -5.334 1.00 0.00 WAT1 ATOM 2556 OH2 TIP3 374 19.110 -35.787 -2.519 1.00 0.00 WAT1 ATOM 2557 H1 TIP3 374 18.771 -36.469 -3.135 1.00 0.00 WAT1 ATOM 2558 H2 TIP3 374 20.022 -35.643 -2.802 1.00 0.00 WAT1 ATOM 2559 OH2 TIP3 375 19.760 -41.415 -8.266 1.00 0.00 WAT1 ATOM 2560 H1 TIP3 375 19.587 -40.493 -8.008 1.00 0.00 WAT1 ATOM 2561 H2 TIP3 375 19.259 -41.948 -7.604 1.00 0.00 WAT1 ATOM 2562 OH2 TIP3 376 16.329 -43.220 -8.547 1.00 0.00 WAT1 ATOM 2563 H1 TIP3 376 16.237 -44.178 -8.356 1.00 0.00 WAT1 ATOM 2564 H2 TIP3 376 17.107 -42.951 -8.022 1.00 0.00 WAT1 ATOM 2565 OH2 TIP3 377 18.194 -42.765 -6.516 1.00 0.00 WAT1 ATOM 2566 H1 TIP3 377 18.447 -43.542 -5.996 1.00 0.00 WAT1 ATOM 2567 H2 TIP3 377 17.642 -42.231 -5.901 1.00 0.00 WAT1 ATOM 2568 OH2 TIP3 378 13.000 -44.047 -11.708 1.00 0.00 WAT1 ATOM 2569 H1 TIP3 378 12.591 -43.669 -12.514 1.00 0.00 WAT1 ATOM 2570 H2 TIP3 378 12.494 -44.847 -11.539 1.00 0.00 WAT1 ATOM 2571 OH2 TIP3 379 11.595 -32.619 0.948 1.00 0.00 WAT1 ATOM 2572 H1 TIP3 379 11.383 -32.989 1.809 1.00 0.00 WAT1 ATOM 2573 H2 TIP3 379 12.051 -33.349 0.478 1.00 0.00 WAT1 ATOM 2574 OH2 TIP3 380 12.927 -32.509 -3.998 1.00 0.00 WAT1 ATOM 2575 H1 TIP3 380 13.785 -32.652 -3.531 1.00 0.00 WAT1 ATOM 2576 H2 TIP3 380 12.999 -33.055 -4.792 1.00 0.00 WAT1 ATOM 2577 OH2 TIP3 381 14.429 -31.316 -1.189 1.00 0.00 WAT1 ATOM 2578 H1 TIP3 381 14.721 -30.985 -0.321 1.00 0.00 WAT1 ATOM 2579 H2 TIP3 381 13.478 -31.094 -1.223 1.00 0.00 WAT1 ATOM 2580 OH2 TIP3 382 8.555 -33.526 -4.116 1.00 0.00 WAT1 ATOM 2581 H1 TIP3 382 8.905 -33.186 -3.277 1.00 0.00 WAT1 ATOM 2582 H2 TIP3 382 9.167 -34.258 -4.346 1.00 0.00 WAT1 ATOM 2583 OH2 TIP3 383 10.514 -35.437 -4.265 1.00 0.00 WAT1 ATOM 2584 H1 TIP3 383 10.423 -36.397 -4.041 1.00 0.00 WAT1 ATOM 2585 H2 TIP3 383 10.717 -35.011 -3.409 1.00 0.00 WAT1 ATOM 2586 OH2 TIP3 384 -0.691 -37.124 -14.313 1.00 0.00 WAT1 ATOM 2587 H1 TIP3 384 -0.968 -37.745 -13.636 1.00 0.00 WAT1 ATOM 2588 H2 TIP3 384 0.253 -37.348 -14.472 1.00 0.00 WAT1 ATOM 2589 OH2 TIP3 385 5.058 -31.417 -12.319 1.00 0.00 WAT1 ATOM 2590 H1 TIP3 385 4.440 -31.469 -11.560 1.00 0.00 WAT1 ATOM 2591 H2 TIP3 385 5.195 -32.343 -12.582 1.00 0.00 WAT1 ATOM 2592 OH2 TIP3 386 19.902 -30.111 4.329 1.00 0.00 WAT1 ATOM 2593 H1 TIP3 386 19.780 -29.317 4.891 1.00 0.00 WAT1 ATOM 2594 H2 TIP3 386 20.860 -30.099 4.106 1.00 0.00 WAT1 ATOM 2595 OH2 TIP3 387 19.622 -27.866 5.930 1.00 0.00 WAT1 ATOM 2596 H1 TIP3 387 19.117 -28.308 6.648 1.00 0.00 WAT1 ATOM 2597 H2 TIP3 387 20.543 -27.811 6.287 1.00 0.00 WAT1 ATOM 2598 OH2 TIP3 388 10.552 -27.596 -42.723 1.00 0.00 WAT1 ATOM 2599 H1 TIP3 388 11.055 -26.839 -43.096 1.00 0.00 WAT1 ATOM 2600 H2 TIP3 388 9.692 -27.218 -42.491 1.00 0.00 WAT1 ATOM 2601 OH2 TIP3 389 9.290 -24.771 -42.469 1.00 0.00 WAT1 ATOM 2602 H1 TIP3 389 8.326 -24.643 -42.446 1.00 0.00 WAT1 ATOM 2603 H2 TIP3 389 9.511 -25.053 -41.557 1.00 0.00 WAT1 ATOM 2604 OH2 TIP3 390 0.347 -23.022 -37.454 1.00 0.00 WAT1 ATOM 2605 H1 TIP3 390 0.678 -22.613 -38.257 1.00 0.00 WAT1 ATOM 2606 H2 TIP3 390 0.457 -23.989 -37.616 1.00 0.00 WAT1 ATOM 2607 OH2 TIP3 391 12.260 -20.887 -38.282 1.00 0.00 WAT1 ATOM 2608 H1 TIP3 391 12.819 -21.688 -38.278 1.00 0.00 WAT1 ATOM 2609 H2 TIP3 391 12.570 -20.382 -39.057 1.00 0.00 WAT1 ATOM 2610 OH2 TIP3 392 12.764 -17.009 -41.853 1.00 0.00 WAT1 ATOM 2611 H1 TIP3 392 13.297 -16.384 -41.329 1.00 0.00 WAT1 ATOM 2612 H2 TIP3 392 12.763 -17.830 -41.324 1.00 0.00 WAT1 ATOM 2613 OH2 TIP3 393 6.621 -24.893 -41.432 1.00 0.00 WAT1 ATOM 2614 H1 TIP3 393 5.794 -25.028 -41.903 1.00 0.00 WAT1 ATOM 2615 H2 TIP3 393 6.502 -25.388 -40.592 1.00 0.00 WAT1 ATOM 2616 OH2 TIP3 394 8.650 -28.001 -40.485 1.00 0.00 WAT1 ATOM 2617 H1 TIP3 394 8.146 -28.233 -39.676 1.00 0.00 WAT1 ATOM 2618 H2 TIP3 394 8.923 -28.851 -40.846 1.00 0.00 WAT1 ATOM 2619 OH2 TIP3 395 7.402 -28.439 -38.127 1.00 0.00 WAT1 ATOM 2620 H1 TIP3 395 8.209 -28.844 -37.726 1.00 0.00 WAT1 ATOM 2621 H2 TIP3 395 6.725 -28.499 -37.413 1.00 0.00 WAT1 ATOM 2622 OH2 TIP3 396 15.585 -28.999 -41.930 1.00 0.00 WAT1 ATOM 2623 H1 TIP3 396 14.809 -29.580 -41.853 1.00 0.00 WAT1 ATOM 2624 H2 TIP3 396 15.330 -28.195 -41.444 1.00 0.00 WAT1 ATOM 2625 OH2 TIP3 397 3.453 -26.675 -38.727 1.00 0.00 WAT1 ATOM 2626 H1 TIP3 397 4.355 -26.334 -38.906 1.00 0.00 WAT1 ATOM 2627 H2 TIP3 397 3.555 -27.651 -38.763 1.00 0.00 WAT1 ATOM 2628 OH2 TIP3 398 7.608 -22.129 -35.024 1.00 0.00 WAT1 ATOM 2629 H1 TIP3 398 8.172 -22.127 -34.222 1.00 0.00 WAT1 ATOM 2630 H2 TIP3 398 7.194 -21.239 -35.019 1.00 0.00 WAT1 ATOM 2631 OH2 TIP3 399 16.853 -25.625 -40.034 1.00 0.00 WAT1 ATOM 2632 H1 TIP3 399 16.368 -24.848 -39.665 1.00 0.00 WAT1 ATOM 2633 H2 TIP3 399 16.146 -26.208 -40.359 1.00 0.00 WAT1 ATOM 2634 OH2 TIP3 400 6.180 -26.042 -38.961 1.00 0.00 WAT1 ATOM 2635 H1 TIP3 400 6.639 -25.366 -38.412 1.00 0.00 WAT1 ATOM 2636 H2 TIP3 400 6.652 -26.875 -38.757 1.00 0.00 WAT1 ATOM 2637 OH2 TIP3 401 6.850 -19.543 -34.315 1.00 0.00 WAT1 ATOM 2638 H1 TIP3 401 7.381 -18.764 -34.508 1.00 0.00 WAT1 ATOM 2639 H2 TIP3 401 6.318 -19.281 -33.539 1.00 0.00 WAT1 ATOM 2640 OH2 TIP3 402 9.510 -29.590 -36.810 1.00 0.00 WAT1 ATOM 2641 H1 TIP3 402 9.427 -30.489 -36.420 1.00 0.00 WAT1 ATOM 2642 H2 TIP3 402 9.404 -28.993 -36.046 1.00 0.00 WAT1 ATOM 2643 OH2 TIP3 403 14.409 -14.742 -41.420 1.00 0.00 WAT1 ATOM 2644 H1 TIP3 403 14.974 -15.191 -42.070 1.00 0.00 WAT1 ATOM 2645 H2 TIP3 403 14.826 -13.861 -41.306 1.00 0.00 WAT1 ATOM 2646 OH2 TIP3 404 15.259 -17.242 -43.023 1.00 0.00 WAT1 ATOM 2647 H1 TIP3 404 15.328 -18.129 -43.422 1.00 0.00 WAT1 ATOM 2648 H2 TIP3 404 14.300 -17.117 -42.889 1.00 0.00 WAT1 ATOM 2649 OH2 TIP3 405 10.870 -21.187 -41.888 1.00 0.00 WAT1 ATOM 2650 H1 TIP3 405 10.861 -21.908 -41.216 1.00 0.00 WAT1 ATOM 2651 H2 TIP3 405 9.956 -21.141 -42.193 1.00 0.00 WAT1 ATOM 2652 OH2 TIP3 406 7.817 -22.766 -40.075 1.00 0.00 WAT1 ATOM 2653 H1 TIP3 406 7.843 -23.208 -39.213 1.00 0.00 WAT1 ATOM 2654 H2 TIP3 406 7.407 -23.423 -40.666 1.00 0.00 WAT1 ATOM 2655 OH2 TIP3 407 5.888 -24.060 -33.992 1.00 0.00 WAT1 ATOM 2656 H1 TIP3 407 6.513 -23.401 -34.362 1.00 0.00 WAT1 ATOM 2657 H2 TIP3 407 5.036 -23.602 -33.987 1.00 0.00 WAT1 ATOM 2658 OH2 TIP3 408 1.628 -15.609 -35.756 1.00 0.00 WAT1 ATOM 2659 H1 TIP3 408 2.356 -15.765 -35.145 1.00 0.00 WAT1 ATOM 2660 H2 TIP3 408 1.887 -14.800 -36.234 1.00 0.00 WAT1 ATOM 2661 OH2 TIP3 409 -1.403 -19.993 -34.288 1.00 0.00 WAT1 ATOM 2662 H1 TIP3 409 -1.611 -19.524 -33.456 1.00 0.00 WAT1 ATOM 2663 H2 TIP3 409 -1.077 -19.287 -34.878 1.00 0.00 WAT1 ATOM 2664 OH2 TIP3 410 5.601 -18.417 -32.070 1.00 0.00 WAT1 ATOM 2665 H1 TIP3 410 6.158 -18.405 -31.285 1.00 0.00 WAT1 ATOM 2666 H2 TIP3 410 4.941 -17.714 -31.900 1.00 0.00 WAT1 ATOM 2667 OH2 TIP3 411 8.264 -28.140 -34.759 1.00 0.00 WAT1 ATOM 2668 H1 TIP3 411 7.776 -28.968 -34.537 1.00 0.00 WAT1 ATOM 2669 H2 TIP3 411 7.613 -27.600 -35.219 1.00 0.00 WAT1 ATOM 2670 OH2 TIP3 412 14.619 -31.804 -38.419 1.00 0.00 WAT1 ATOM 2671 H1 TIP3 412 13.984 -31.113 -38.729 1.00 0.00 WAT1 ATOM 2672 H2 TIP3 412 14.904 -32.252 -39.238 1.00 0.00 WAT1 ATOM 2673 OH2 TIP3 413 7.742 -24.223 -37.533 1.00 0.00 WAT1 ATOM 2674 H1 TIP3 413 7.571 -23.619 -36.789 1.00 0.00 WAT1 ATOM 2675 H2 TIP3 413 8.651 -24.544 -37.376 1.00 0.00 WAT1 ATOM 2676 OH2 TIP3 414 11.861 -25.240 -43.316 1.00 0.00 WAT1 ATOM 2677 H1 TIP3 414 10.961 -24.869 -43.197 1.00 0.00 WAT1 ATOM 2678 H2 TIP3 414 12.411 -24.740 -42.686 1.00 0.00 WAT1 ATOM 2679 OH2 TIP3 415 9.744 -25.597 -39.926 1.00 0.00 WAT1 ATOM 2680 H1 TIP3 415 9.372 -26.492 -40.095 1.00 0.00 WAT1 ATOM 2681 H2 TIP3 415 10.047 -25.635 -38.992 1.00 0.00 WAT1 ATOM 2682 OH2 TIP3 416 14.303 -26.724 -40.789 1.00 0.00 WAT1 ATOM 2683 H1 TIP3 416 13.943 -25.896 -41.165 1.00 0.00 WAT1 ATOM 2684 H2 TIP3 416 13.602 -27.395 -40.972 1.00 0.00 WAT1 ATOM 2685 OH2 TIP3 417 10.649 -25.214 -37.387 1.00 0.00 WAT1 ATOM 2686 H1 TIP3 417 10.767 -24.243 -37.286 1.00 0.00 WAT1 ATOM 2687 H2 TIP3 417 11.552 -25.572 -37.320 1.00 0.00 WAT1 ATOM 2688 OH2 TIP3 418 2.000 -24.510 -34.840 1.00 0.00 WAT1 ATOM 2689 H1 TIP3 418 2.210 -24.492 -33.879 1.00 0.00 WAT1 ATOM 2690 H2 TIP3 418 1.340 -23.803 -34.948 1.00 0.00 WAT1 ATOM 2691 OH2 TIP3 419 15.451 -31.751 -44.188 1.00 0.00 WAT1 ATOM 2692 H1 TIP3 419 15.281 -31.328 -45.037 1.00 0.00 WAT1 ATOM 2693 H2 TIP3 419 16.338 -31.410 -43.921 1.00 0.00 WAT1 ATOM 2694 OH2 TIP3 420 13.676 -26.102 -38.071 1.00 0.00 WAT1 ATOM 2695 H1 TIP3 420 13.744 -25.117 -38.084 1.00 0.00 WAT1 ATOM 2696 H2 TIP3 420 13.951 -26.370 -38.966 1.00 0.00 WAT1 ATOM 2697 OH2 TIP3 421 8.976 -14.907 -36.637 1.00 0.00 WAT1 ATOM 2698 H1 TIP3 421 9.080 -14.126 -37.228 1.00 0.00 WAT1 ATOM 2699 H2 TIP3 421 9.886 -15.100 -36.329 1.00 0.00 WAT1 ATOM 2700 OH2 TIP3 422 10.983 -23.187 -40.053 1.00 0.00 WAT1 ATOM 2701 H1 TIP3 422 10.756 -22.863 -39.160 1.00 0.00 WAT1 ATOM 2702 H2 TIP3 422 10.429 -23.992 -40.159 1.00 0.00 WAT1 ATOM 2703 OH2 TIP3 423 13.493 -21.692 -42.678 1.00 0.00 WAT1 ATOM 2704 H1 TIP3 423 12.524 -21.549 -42.665 1.00 0.00 WAT1 ATOM 2705 H2 TIP3 423 13.608 -22.579 -42.280 1.00 0.00 WAT1 ATOM 2706 OH2 TIP3 424 2.857 -19.192 -33.007 1.00 0.00 WAT1 ATOM 2707 H1 TIP3 424 2.529 -19.428 -33.906 1.00 0.00 WAT1 ATOM 2708 H2 TIP3 424 3.817 -19.283 -33.074 1.00 0.00 WAT1 ATOM 2709 OH2 TIP3 425 15.385 -27.330 -36.222 1.00 0.00 WAT1 ATOM 2710 H1 TIP3 425 14.973 -28.208 -36.059 1.00 0.00 WAT1 ATOM 2711 H2 TIP3 425 14.790 -26.908 -36.880 1.00 0.00 WAT1 ATOM 2712 OH2 TIP3 426 14.049 -29.623 -35.523 1.00 0.00 WAT1 ATOM 2713 H1 TIP3 426 13.513 -29.446 -34.720 1.00 0.00 WAT1 ATOM 2714 H2 TIP3 426 13.597 -30.376 -35.946 1.00 0.00 WAT1 ATOM 2715 OH2 TIP3 427 17.016 -13.402 -38.906 1.00 0.00 WAT1 ATOM 2716 H1 TIP3 427 17.499 -14.132 -39.312 1.00 0.00 WAT1 ATOM 2717 H2 TIP3 427 16.395 -13.104 -39.607 1.00 0.00 WAT1 ATOM 2718 OH2 TIP3 428 5.627 -28.583 -36.138 1.00 0.00 WAT1 ATOM 2719 H1 TIP3 428 6.037 -29.260 -35.538 1.00 0.00 WAT1 ATOM 2720 H2 TIP3 428 4.688 -28.854 -36.185 1.00 0.00 WAT1 ATOM 2721 OH2 TIP3 429 10.330 -22.498 -37.357 1.00 0.00 WAT1 ATOM 2722 H1 TIP3 429 10.976 -21.781 -37.558 1.00 0.00 WAT1 ATOM 2723 H2 TIP3 429 9.570 -22.033 -36.983 1.00 0.00 WAT1 ATOM 2724 OH2 TIP3 430 19.057 -14.811 -36.818 1.00 0.00 WAT1 ATOM 2725 H1 TIP3 430 18.885 -15.647 -36.348 1.00 0.00 WAT1 ATOM 2726 H2 TIP3 430 19.417 -15.097 -37.683 1.00 0.00 WAT1 ATOM 2727 OH2 TIP3 431 18.102 -21.427 -43.322 1.00 0.00 WAT1 ATOM 2728 H1 TIP3 431 17.988 -20.557 -42.904 1.00 0.00 WAT1 ATOM 2729 H2 TIP3 431 17.713 -22.056 -42.672 1.00 0.00 WAT1 ATOM 2730 OH2 TIP3 432 17.288 -22.995 -41.228 1.00 0.00 WAT1 ATOM 2731 H1 TIP3 432 17.719 -23.853 -41.106 1.00 0.00 WAT1 ATOM 2732 H2 TIP3 432 16.493 -23.044 -40.646 1.00 0.00 WAT1 ATOM 2733 OH2 TIP3 433 20.566 -22.500 -43.627 1.00 0.00 WAT1 ATOM 2734 H1 TIP3 433 19.621 -22.223 -43.567 1.00 0.00 WAT1 ATOM 2735 H2 TIP3 433 20.965 -21.843 -44.205 1.00 0.00 WAT1 ATOM 2736 OH2 TIP3 434 13.289 -24.082 -41.214 1.00 0.00 WAT1 ATOM 2737 H1 TIP3 434 12.487 -23.795 -40.718 1.00 0.00 WAT1 ATOM 2738 H2 TIP3 434 14.036 -23.896 -40.589 1.00 0.00 WAT1 ATOM 2739 OH2 TIP3 435 17.565 -30.415 -43.091 1.00 0.00 WAT1 ATOM 2740 H1 TIP3 435 16.945 -29.867 -42.549 1.00 0.00 WAT1 ATOM 2741 H2 TIP3 435 17.787 -29.835 -43.853 1.00 0.00 WAT1 ATOM 2742 OH2 TIP3 436 3.904 -29.395 -38.510 1.00 0.00 WAT1 ATOM 2743 H1 TIP3 436 4.800 -29.752 -38.552 1.00 0.00 WAT1 ATOM 2744 H2 TIP3 436 3.578 -29.666 -37.623 1.00 0.00 WAT1 ATOM 2745 OH2 TIP3 437 0.927 -25.577 -38.204 1.00 0.00 WAT1 ATOM 2746 H1 TIP3 437 1.751 -25.934 -38.591 1.00 0.00 WAT1 ATOM 2747 H2 TIP3 437 0.502 -26.352 -37.788 1.00 0.00 WAT1 ATOM 2748 OH2 TIP3 438 12.885 -19.628 -40.777 1.00 0.00 WAT1 ATOM 2749 H1 TIP3 438 13.560 -20.094 -41.298 1.00 0.00 WAT1 ATOM 2750 H2 TIP3 438 12.037 -19.980 -41.122 1.00 0.00 WAT1 ATOM 2751 OH2 TIP3 439 3.367 -33.223 -38.639 1.00 0.00 WAT1 ATOM 2752 H1 TIP3 439 4.176 -33.707 -38.457 1.00 0.00 WAT1 ATOM 2753 H2 TIP3 439 2.692 -33.663 -38.076 1.00 0.00 WAT1 ATOM 2754 OH2 TIP3 440 6.293 -17.436 -29.052 1.00 0.00 WAT1 ATOM 2755 H1 TIP3 440 6.123 -16.534 -29.375 1.00 0.00 WAT1 ATOM 2756 H2 TIP3 440 7.254 -17.450 -28.874 1.00 0.00 WAT1 ATOM 2757 OH2 TIP3 441 8.910 -16.134 -33.623 1.00 0.00 WAT1 ATOM 2758 H1 TIP3 441 8.250 -15.471 -33.902 1.00 0.00 WAT1 ATOM 2759 H2 TIP3 441 9.675 -15.970 -34.206 1.00 0.00 WAT1 ATOM 2760 OH2 TIP3 442 6.881 -11.858 -32.913 1.00 0.00 WAT1 ATOM 2761 H1 TIP3 442 7.182 -12.604 -33.482 1.00 0.00 WAT1 ATOM 2762 H2 TIP3 442 7.466 -11.908 -32.125 1.00 0.00 WAT1 ATOM 2763 OH2 TIP3 443 7.402 -13.981 -34.598 1.00 0.00 WAT1 ATOM 2764 H1 TIP3 443 8.023 -14.140 -35.342 1.00 0.00 WAT1 ATOM 2765 H2 TIP3 443 6.524 -14.214 -34.969 1.00 0.00 WAT1 ATOM 2766 OH2 TIP3 444 11.207 -15.253 -35.052 1.00 0.00 WAT1 ATOM 2767 H1 TIP3 444 12.108 -15.468 -35.360 1.00 0.00 WAT1 ATOM 2768 H2 TIP3 444 11.316 -14.398 -34.581 1.00 0.00 WAT1 ATOM 2769 OH2 TIP3 445 12.560 -30.108 -38.928 1.00 0.00 WAT1 ATOM 2770 H1 TIP3 445 11.865 -29.719 -38.377 1.00 0.00 WAT1 ATOM 2771 H2 TIP3 445 12.515 -29.602 -39.762 1.00 0.00 WAT1 ATOM 2772 OH2 TIP3 446 16.058 -33.349 -40.226 1.00 0.00 WAT1 ATOM 2773 H1 TIP3 446 16.491 -34.222 -40.300 1.00 0.00 WAT1 ATOM 2774 H2 TIP3 446 16.704 -32.804 -39.726 1.00 0.00 WAT1 ATOM 2775 OH2 TIP3 447 17.782 -31.969 -38.650 1.00 0.00 WAT1 ATOM 2776 H1 TIP3 447 18.617 -32.316 -38.247 1.00 0.00 WAT1 ATOM 2777 H2 TIP3 447 18.094 -31.498 -39.462 1.00 0.00 WAT1 ATOM 2778 OH2 TIP3 448 12.558 -28.726 -41.351 1.00 0.00 WAT1 ATOM 2779 H1 TIP3 448 12.808 -29.549 -41.828 1.00 0.00 WAT1 ATOM 2780 H2 TIP3 448 11.767 -28.394 -41.843 1.00 0.00 WAT1 ATOM 2781 OH2 TIP3 449 21.170 -18.578 -21.675 1.00 0.00 WAT1 ATOM 2782 H1 TIP3 449 21.314 -18.517 -22.624 1.00 0.00 WAT1 ATOM 2783 H2 TIP3 449 20.384 -18.013 -21.514 1.00 0.00 WAT1 ATOM 2784 OH2 TIP3 450 19.959 -21.134 -11.701 1.00 0.00 WAT1 ATOM 2785 H1 TIP3 450 20.093 -22.065 -11.384 1.00 0.00 WAT1 ATOM 2786 H2 TIP3 450 20.494 -21.083 -12.505 1.00 0.00 WAT1 ATOM 2787 OH2 TIP3 451 16.602 -13.243 -13.534 1.00 0.00 WAT1 ATOM 2788 H1 TIP3 451 16.683 -13.731 -14.384 1.00 0.00 WAT1 ATOM 2789 H2 TIP3 451 16.733 -13.942 -12.850 1.00 0.00 WAT1 ATOM 2790 OH2 TIP3 452 13.952 -23.969 -35.221 1.00 0.00 WAT1 ATOM 2791 H1 TIP3 452 13.785 -23.768 -36.173 1.00 0.00 WAT1 ATOM 2792 H2 TIP3 452 13.370 -23.360 -34.743 1.00 0.00 WAT1 ATOM 2793 OH2 TIP3 453 11.688 -15.819 -24.275 1.00 0.00 WAT1 ATOM 2794 H1 TIP3 453 12.193 -16.544 -24.728 1.00 0.00 WAT1 ATOM 2795 H2 TIP3 453 10.895 -15.714 -24.814 1.00 0.00 WAT1 ATOM 2796 OH2 TIP3 454 19.005 -16.942 -21.393 1.00 0.00 WAT1 ATOM 2797 H1 TIP3 454 18.985 -15.987 -21.278 1.00 0.00 WAT1 ATOM 2798 H2 TIP3 454 18.248 -17.129 -21.984 1.00 0.00 WAT1 ATOM 2799 OH2 TIP3 455 14.306 -14.917 -24.130 1.00 0.00 WAT1 ATOM 2800 H1 TIP3 455 13.364 -15.171 -24.200 1.00 0.00 WAT1 ATOM 2801 H2 TIP3 455 14.780 -15.635 -24.603 1.00 0.00 WAT1 ATOM 2802 OH2 TIP3 456 19.752 -15.535 -16.633 1.00 0.00 WAT1 ATOM 2803 H1 TIP3 456 20.085 -16.379 -17.018 1.00 0.00 WAT1 ATOM 2804 H2 TIP3 456 19.945 -14.878 -17.310 1.00 0.00 WAT1 ATOM 2805 OH2 TIP3 457 24.715 -24.079 -24.333 1.00 0.00 WAT1 ATOM 2806 H1 TIP3 457 24.481 -23.433 -25.020 1.00 0.00 WAT1 ATOM 2807 H2 TIP3 457 24.763 -23.550 -23.520 1.00 0.00 WAT1 ATOM 2808 OH2 TIP3 458 22.342 -19.559 -19.379 1.00 0.00 WAT1 ATOM 2809 H1 TIP3 458 22.827 -20.381 -19.607 1.00 0.00 WAT1 ATOM 2810 H2 TIP3 458 22.011 -19.232 -20.242 1.00 0.00 WAT1 ATOM 2811 OH2 TIP3 459 18.938 -27.591 -32.862 1.00 0.00 WAT1 ATOM 2812 H1 TIP3 459 18.823 -27.280 -33.779 1.00 0.00 WAT1 ATOM 2813 H2 TIP3 459 19.755 -28.129 -32.889 1.00 0.00 WAT1 ATOM 2814 OH2 TIP3 460 13.024 -8.002 -20.506 1.00 0.00 WAT1 ATOM 2815 H1 TIP3 460 13.893 -7.572 -20.361 1.00 0.00 WAT1 ATOM 2816 H2 TIP3 460 13.205 -8.679 -21.197 1.00 0.00 WAT1 ATOM 2817 OH2 TIP3 461 16.919 -17.459 -23.165 1.00 0.00 WAT1 ATOM 2818 H1 TIP3 461 16.472 -17.286 -24.031 1.00 0.00 WAT1 ATOM 2819 H2 TIP3 461 16.191 -17.495 -22.531 1.00 0.00 WAT1 ATOM 2820 OH2 TIP3 462 13.922 -26.252 -4.819 1.00 0.00 WAT1 ATOM 2821 H1 TIP3 462 14.533 -26.861 -5.278 1.00 0.00 WAT1 ATOM 2822 H2 TIP3 462 14.147 -26.354 -3.877 1.00 0.00 WAT1 ATOM 2823 OH2 TIP3 463 15.694 -20.853 -2.791 1.00 0.00 WAT1 ATOM 2824 H1 TIP3 463 15.334 -21.722 -2.517 1.00 0.00 WAT1 ATOM 2825 H2 TIP3 463 15.262 -20.217 -2.189 1.00 0.00 WAT1 ATOM 2826 OH2 TIP3 464 2.862 -26.057 -7.347 1.00 0.00 WAT1 ATOM 2827 H1 TIP3 464 3.002 -26.797 -6.731 1.00 0.00 WAT1 ATOM 2828 H2 TIP3 464 2.621 -25.303 -6.762 1.00 0.00 WAT1 ATOM 2829 OH2 TIP3 465 3.132 -22.593 -3.354 1.00 0.00 WAT1 ATOM 2830 H1 TIP3 465 4.069 -22.460 -3.099 1.00 0.00 WAT1 ATOM 2831 H2 TIP3 465 2.706 -21.739 -3.149 1.00 0.00 WAT1 ATOM 2832 OH2 TIP3 466 9.536 -23.285 -0.725 1.00 0.00 WAT1 ATOM 2833 H1 TIP3 466 9.326 -24.202 -1.009 1.00 0.00 WAT1 ATOM 2834 H2 TIP3 466 10.235 -23.397 -0.069 1.00 0.00 WAT1 ATOM 2835 OH2 TIP3 467 12.273 -28.463 -2.509 1.00 0.00 WAT1 ATOM 2836 H1 TIP3 467 12.220 -28.912 -3.387 1.00 0.00 WAT1 ATOM 2837 H2 TIP3 467 12.082 -29.180 -1.869 1.00 0.00 WAT1 ATOM 2838 OH2 TIP3 468 5.269 -29.388 -4.556 1.00 0.00 WAT1 ATOM 2839 H1 TIP3 468 5.568 -29.225 -3.652 1.00 0.00 WAT1 ATOM 2840 H2 TIP3 468 4.599 -28.681 -4.717 1.00 0.00 WAT1 ATOM 2841 OH2 TIP3 469 5.746 -25.726 -4.141 1.00 0.00 WAT1 ATOM 2842 H1 TIP3 469 6.583 -26.213 -4.335 1.00 0.00 WAT1 ATOM 2843 H2 TIP3 469 5.873 -25.386 -3.228 1.00 0.00 WAT1 ATOM 2844 OH2 TIP3 470 8.123 -26.882 -4.709 1.00 0.00 WAT1 ATOM 2845 H1 TIP3 470 9.037 -26.854 -4.359 1.00 0.00 WAT1 ATOM 2846 H2 TIP3 470 8.077 -27.740 -5.190 1.00 0.00 WAT1 ATOM 2847 OH2 TIP3 471 7.243 -21.971 0.003 1.00 0.00 WAT1 ATOM 2848 H1 TIP3 471 6.667 -22.667 0.373 1.00 0.00 WAT1 ATOM 2849 H2 TIP3 471 8.041 -22.454 -0.296 1.00 0.00 WAT1 ATOM 2850 OH2 TIP3 472 7.524 -28.019 -0.559 1.00 0.00 WAT1 ATOM 2851 H1 TIP3 472 8.125 -28.769 -0.598 1.00 0.00 WAT1 ATOM 2852 H2 TIP3 472 8.073 -27.255 -0.838 1.00 0.00 WAT1 ATOM 2853 OH2 TIP3 473 6.828 -19.426 -0.604 1.00 0.00 WAT1 ATOM 2854 H1 TIP3 473 6.620 -19.489 -1.563 1.00 0.00 WAT1 ATOM 2855 H2 TIP3 473 6.935 -20.372 -0.320 1.00 0.00 WAT1 ATOM 2856 OH2 TIP3 474 3.527 -19.650 -5.884 1.00 0.00 WAT1 ATOM 2857 H1 TIP3 474 3.693 -19.138 -5.059 1.00 0.00 WAT1 ATOM 2858 H2 TIP3 474 2.581 -19.911 -5.815 1.00 0.00 WAT1 ATOM 2859 OH2 TIP3 475 17.591 -18.358 -2.979 1.00 0.00 WAT1 ATOM 2860 H1 TIP3 475 16.881 -18.909 -3.340 1.00 0.00 WAT1 ATOM 2861 H2 TIP3 475 18.010 -18.925 -2.302 1.00 0.00 WAT1 ATOM 2862 OH2 TIP3 476 8.395 -32.007 -6.402 1.00 0.00 WAT1 ATOM 2863 H1 TIP3 476 8.011 -32.684 -7.008 1.00 0.00 WAT1 ATOM 2864 H2 TIP3 476 8.413 -32.455 -5.528 1.00 0.00 WAT1 ATOM 2865 OH2 TIP3 477 20.148 -23.239 -4.233 1.00 0.00 WAT1 ATOM 2866 H1 TIP3 477 19.684 -22.413 -4.012 1.00 0.00 WAT1 ATOM 2867 H2 TIP3 477 21.099 -23.020 -4.131 1.00 0.00 WAT1 ATOM 2868 OH2 TIP3 478 16.465 -25.035 -2.615 1.00 0.00 WAT1 ATOM 2869 H1 TIP3 478 15.934 -24.245 -2.394 1.00 0.00 WAT1 ATOM 2870 H2 TIP3 478 15.857 -25.783 -2.449 1.00 0.00 WAT1 ATOM 2871 OH2 TIP3 479 10.463 -20.775 -1.633 1.00 0.00 WAT1 ATOM 2872 H1 TIP3 479 10.058 -21.645 -1.448 1.00 0.00 WAT1 ATOM 2873 H2 TIP3 479 11.421 -20.948 -1.606 1.00 0.00 WAT1 ATOM 2874 OH2 TIP3 480 6.340 -23.424 -5.485 1.00 0.00 WAT1 ATOM 2875 H1 TIP3 480 7.269 -23.653 -5.600 1.00 0.00 WAT1 ATOM 2876 H2 TIP3 480 5.943 -24.230 -5.076 1.00 0.00 WAT1 ATOM 2877 OH2 TIP3 481 14.808 -18.918 -0.916 1.00 0.00 WAT1 ATOM 2878 H1 TIP3 481 15.681 -18.530 -0.782 1.00 0.00 WAT1 ATOM 2879 H2 TIP3 481 14.187 -18.164 -0.771 1.00 0.00 WAT1 ATOM 2880 OH2 TIP3 482 5.822 -17.863 3.564 1.00 0.00 WAT1 ATOM 2881 H1 TIP3 482 6.453 -18.492 3.192 1.00 0.00 WAT1 ATOM 2882 H2 TIP3 482 5.986 -17.032 3.063 1.00 0.00 WAT1 ATOM 2883 OH2 TIP3 483 5.691 -24.040 0.976 1.00 0.00 WAT1 ATOM 2884 H1 TIP3 483 5.517 -25.009 0.890 1.00 0.00 WAT1 ATOM 2885 H2 TIP3 483 5.940 -23.926 1.904 1.00 0.00 WAT1 ATOM 2886 OH2 TIP3 484 17.132 -21.046 -11.379 1.00 0.00 WAT1 ATOM 2887 H1 TIP3 484 17.053 -21.037 -10.420 1.00 0.00 WAT1 ATOM 2888 H2 TIP3 484 18.092 -21.111 -11.540 1.00 0.00 WAT1 ATOM 2889 OH2 TIP3 485 4.841 -17.755 0.356 1.00 0.00 WAT1 ATOM 2890 H1 TIP3 485 4.051 -17.881 -0.206 1.00 0.00 WAT1 ATOM 2891 H2 TIP3 485 5.315 -18.603 0.297 1.00 0.00 WAT1 ATOM 2892 OH2 TIP3 486 6.162 -19.298 -3.244 1.00 0.00 WAT1 ATOM 2893 H1 TIP3 486 5.252 -18.929 -3.296 1.00 0.00 WAT1 ATOM 2894 H2 TIP3 486 6.654 -18.797 -3.921 1.00 0.00 WAT1 ATOM 2895 OH2 TIP3 487 9.475 -18.908 0.030 1.00 0.00 WAT1 ATOM 2896 H1 TIP3 487 8.517 -19.107 -0.012 1.00 0.00 WAT1 ATOM 2897 H2 TIP3 487 9.867 -19.474 -0.681 1.00 0.00 WAT1 ATOM 2898 OH2 TIP3 488 19.588 -26.207 -0.164 1.00 0.00 WAT1 ATOM 2899 H1 TIP3 488 19.488 -26.048 -1.129 1.00 0.00 WAT1 ATOM 2900 H2 TIP3 488 20.178 -25.483 0.136 1.00 0.00 WAT1 ATOM 2901 OH2 TIP3 489 4.386 -31.100 -6.477 1.00 0.00 WAT1 ATOM 2902 H1 TIP3 489 5.153 -31.615 -6.765 1.00 0.00 WAT1 ATOM 2903 H2 TIP3 489 4.733 -30.538 -5.747 1.00 0.00 WAT1 ATOM 2904 OH2 TIP3 490 11.700 -30.892 -1.163 1.00 0.00 WAT1 ATOM 2905 H1 TIP3 490 11.610 -31.302 -0.272 1.00 0.00 WAT1 ATOM 2906 H2 TIP3 490 11.254 -31.518 -1.755 1.00 0.00 WAT1 ATOM 2907 OH2 TIP3 491 15.090 -26.968 0.850 1.00 0.00 WAT1 ATOM 2908 H1 TIP3 491 14.609 -27.584 1.452 1.00 0.00 WAT1 ATOM 2909 H2 TIP3 491 15.576 -26.374 1.462 1.00 0.00 WAT1 ATOM 2910 OH2 TIP3 492 6.413 -24.437 -1.810 1.00 0.00 WAT1 ATOM 2911 H1 TIP3 492 6.087 -24.440 -0.891 1.00 0.00 WAT1 ATOM 2912 H2 TIP3 492 6.228 -23.525 -2.125 1.00 0.00 WAT1 ATOM 2913 OH2 TIP3 493 3.607 -27.245 -4.859 1.00 0.00 WAT1 ATOM 2914 H1 TIP3 493 2.802 -26.855 -4.500 1.00 0.00 WAT1 ATOM 2915 H2 TIP3 493 4.309 -26.585 -4.649 1.00 0.00 WAT1 ATOM 2916 OH2 TIP3 494 4.105 -28.529 -13.443 1.00 0.00 WAT1 ATOM 2917 H1 TIP3 494 3.458 -29.144 -13.039 1.00 0.00 WAT1 ATOM 2918 H2 TIP3 494 3.714 -27.661 -13.313 1.00 0.00 WAT1 ATOM 2919 OH2 TIP3 495 14.475 -26.865 -1.980 1.00 0.00 WAT1 ATOM 2920 H1 TIP3 495 13.692 -27.447 -2.110 1.00 0.00 WAT1 ATOM 2921 H2 TIP3 495 14.674 -26.945 -1.023 1.00 0.00 WAT1 ATOM 2922 OH2 TIP3 496 7.737 -29.321 -5.866 1.00 0.00 WAT1 ATOM 2923 H1 TIP3 496 6.850 -29.442 -5.477 1.00 0.00 WAT1 ATOM 2924 H2 TIP3 496 8.017 -30.223 -6.109 1.00 0.00 WAT1 ATOM 2925 OH2 TIP3 497 2.054 -30.064 -12.346 1.00 0.00 WAT1 ATOM 2926 H1 TIP3 497 1.420 -29.429 -11.979 1.00 0.00 WAT1 ATOM 2927 H2 TIP3 497 2.398 -30.546 -11.562 1.00 0.00 WAT1 ATOM 2928 OH2 TIP3 498 5.875 -21.497 3.437 1.00 0.00 WAT1 ATOM 2929 H1 TIP3 498 6.694 -21.085 3.770 1.00 0.00 WAT1 ATOM 2930 H2 TIP3 498 5.177 -21.147 4.016 1.00 0.00 WAT1 ATOM 2931 OH2 TIP3 499 10.619 -26.519 -3.569 1.00 0.00 WAT1 ATOM 2932 H1 TIP3 499 11.273 -26.176 -4.192 1.00 0.00 WAT1 ATOM 2933 H2 TIP3 499 11.115 -27.192 -3.051 1.00 0.00 WAT1 ATOM 2934 OH2 TIP3 500 3.249 -31.369 -10.229 1.00 0.00 WAT1 ATOM 2935 H1 TIP3 500 3.282 -30.686 -9.528 1.00 0.00 WAT1 ATOM 2936 H2 TIP3 500 2.765 -32.120 -9.810 1.00 0.00 WAT1 ATOM 2937 OH2 TIP3 501 8.829 -25.808 -1.565 1.00 0.00 WAT1 ATOM 2938 H1 TIP3 501 8.007 -25.391 -1.901 1.00 0.00 WAT1 ATOM 2939 H2 TIP3 501 9.347 -26.013 -2.373 1.00 0.00 WAT1 ATOM 2940 OH2 TIP3 502 5.932 -18.951 -7.055 1.00 0.00 WAT1 ATOM 2941 H1 TIP3 502 5.044 -19.214 -6.741 1.00 0.00 WAT1 ATOM 2942 H2 TIP3 502 5.886 -19.053 -8.010 1.00 0.00 WAT1 ATOM 2943 OH2 TIP3 503 18.029 -21.375 -4.072 1.00 0.00 WAT1 ATOM 2944 H1 TIP3 503 17.146 -21.219 -3.657 1.00 0.00 WAT1 ATOM 2945 H2 TIP3 503 17.819 -21.691 -4.959 1.00 0.00 WAT1 ATOM 2946 OH2 TIP3 504 11.401 -20.530 1.429 1.00 0.00 WAT1 ATOM 2947 H1 TIP3 504 11.329 -20.286 2.370 1.00 0.00 WAT1 ATOM 2948 H2 TIP3 504 10.678 -20.039 1.002 1.00 0.00 WAT1 ATOM 2949 OH2 TIP3 505 5.795 -22.052 -3.121 1.00 0.00 WAT1 ATOM 2950 H1 TIP3 505 6.001 -21.093 -3.117 1.00 0.00 WAT1 ATOM 2951 H2 TIP3 505 6.083 -22.355 -4.004 1.00 0.00 WAT1 ATOM 2952 OH2 TIP3 506 3.683 -21.921 1.762 1.00 0.00 WAT1 ATOM 2953 H1 TIP3 506 4.579 -21.789 2.140 1.00 0.00 WAT1 ATOM 2954 H2 TIP3 506 3.796 -22.657 1.144 1.00 0.00 WAT1 ATOM 2955 OH2 TIP3 507 10.672 -16.563 0.679 1.00 0.00 WAT1 ATOM 2956 H1 TIP3 507 10.147 -17.367 0.456 1.00 0.00 WAT1 ATOM 2957 H2 TIP3 507 11.200 -16.835 1.462 1.00 0.00 WAT1 ATOM 2958 OH2 TIP3 508 17.300 -17.473 -13.456 1.00 0.00 WAT1 ATOM 2959 H1 TIP3 508 16.894 -18.295 -13.823 1.00 0.00 WAT1 ATOM 2960 H2 TIP3 508 18.086 -17.793 -12.970 1.00 0.00 WAT1 ATOM 2961 OH2 TIP3 509 14.555 -23.197 -1.716 1.00 0.00 WAT1 ATOM 2962 H1 TIP3 509 14.102 -24.010 -1.460 1.00 0.00 WAT1 ATOM 2963 H2 TIP3 509 14.048 -22.486 -1.261 1.00 0.00 WAT1 ATOM 2964 OH2 TIP3 510 3.856 -17.953 -3.733 1.00 0.00 WAT1 ATOM 2965 H1 TIP3 510 3.335 -17.817 -2.916 1.00 0.00 WAT1 ATOM 2966 H2 TIP3 510 3.819 -17.088 -4.194 1.00 0.00 WAT1 ATOM 2967 OH2 TIP3 511 4.307 -22.148 -6.858 1.00 0.00 WAT1 ATOM 2968 H1 TIP3 511 5.108 -22.479 -6.389 1.00 0.00 WAT1 ATOM 2969 H2 TIP3 511 4.143 -21.266 -6.461 1.00 0.00 WAT1 ATOM 2970 OH2 TIP3 512 6.775 -17.290 -5.124 1.00 0.00 WAT1 ATOM 2971 H1 TIP3 512 5.960 -16.751 -5.157 1.00 0.00 WAT1 ATOM 2972 H2 TIP3 512 6.675 -17.917 -5.880 1.00 0.00 WAT1 ATOM 2973 OH2 TIP3 513 13.131 -21.129 -0.636 1.00 0.00 WAT1 ATOM 2974 H1 TIP3 513 12.585 -21.004 0.175 1.00 0.00 WAT1 ATOM 2975 H2 TIP3 513 13.697 -20.328 -0.668 1.00 0.00 WAT1 ATOM 2976 OH2 TIP3 514 12.504 -17.203 2.574 1.00 0.00 WAT1 ATOM 2977 H1 TIP3 514 13.325 -17.194 2.060 1.00 0.00 WAT1 ATOM 2978 H2 TIP3 514 12.681 -16.593 3.326 1.00 0.00 WAT1 ATOM 2979 OH2 TIP3 515 18.176 -16.041 -8.240 1.00 0.00 WAT1 ATOM 2980 H1 TIP3 515 18.874 -15.787 -8.876 1.00 0.00 WAT1 ATOM 2981 H2 TIP3 515 18.643 -16.107 -7.386 1.00 0.00 WAT1 ATOM 2982 OH2 TIP3 516 11.940 -30.047 -4.687 1.00 0.00 WAT1 ATOM 2983 H1 TIP3 516 11.586 -30.318 -5.550 1.00 0.00 WAT1 ATOM 2984 H2 TIP3 516 12.323 -30.870 -4.320 1.00 0.00 WAT1 ATOM 2985 OH2 TIP3 517 17.556 -28.105 0.375 1.00 0.00 WAT1 ATOM 2986 H1 TIP3 517 16.703 -27.635 0.456 1.00 0.00 WAT1 ATOM 2987 H2 TIP3 517 18.212 -27.390 0.248 1.00 0.00 WAT1 ATOM 2988 OH2 TIP3 518 16.769 -15.576 -2.920 1.00 0.00 WAT1 ATOM 2989 H1 TIP3 518 16.999 -15.125 -3.757 1.00 0.00 WAT1 ATOM 2990 H2 TIP3 518 17.096 -16.489 -3.041 1.00 0.00 WAT1 ATOM 2991 OH2 TIP3 519 4.330 -15.923 -5.507 1.00 0.00 WAT1 ATOM 2992 H1 TIP3 519 3.694 -16.286 -6.167 1.00 0.00 WAT1 ATOM 2993 H2 TIP3 519 4.764 -15.176 -5.977 1.00 0.00 WAT1 ATOM 2994 OH2 TIP3 520 10.886 -19.110 3.810 1.00 0.00 WAT1 ATOM 2995 H1 TIP3 520 10.859 -18.657 4.678 1.00 0.00 WAT1 ATOM 2996 H2 TIP3 520 11.455 -18.531 3.263 1.00 0.00 WAT1 ATOM 2997 OH2 TIP3 521 0.574 -20.003 4.131 1.00 0.00 WAT1 ATOM 2998 H1 TIP3 521 0.195 -19.366 3.506 1.00 0.00 WAT1 ATOM 2999 H2 TIP3 521 0.017 -20.801 4.022 1.00 0.00 WAT1 ATOM 3000 OH2 TIP3 522 3.207 -20.737 4.228 1.00 0.00 WAT1 ATOM 3001 H1 TIP3 522 3.237 -21.259 3.399 1.00 0.00 WAT1 ATOM 3002 H2 TIP3 522 2.249 -20.613 4.396 1.00 0.00 WAT1 ATOM 3003 OH2 TIP3 523 16.731 -25.795 2.777 1.00 0.00 WAT1 ATOM 3004 H1 TIP3 523 16.649 -24.871 3.036 1.00 0.00 WAT1 ATOM 3005 H2 TIP3 523 17.686 -26.006 2.937 1.00 0.00 WAT1 ATOM 3006 OH2 TIP3 524 2.595 -17.301 -7.185 1.00 0.00 WAT1 ATOM 3007 H1 TIP3 524 1.757 -17.448 -7.650 1.00 0.00 WAT1 ATOM 3008 H2 TIP3 524 2.843 -18.183 -6.860 1.00 0.00 WAT1 ATOM 3009 OH2 TIP3 525 21.936 -14.770 -5.528 1.00 0.00 WAT1 ATOM 3010 H1 TIP3 525 22.646 -15.447 -5.530 1.00 0.00 WAT1 ATOM 3011 H2 TIP3 525 22.015 -14.350 -4.662 1.00 0.00 WAT1 ATOM 3012 OH2 TIP3 526 25.387 -21.212 -4.154 1.00 0.00 WAT1 ATOM 3013 H1 TIP3 526 25.474 -20.968 -5.101 1.00 0.00 WAT1 ATOM 3014 H2 TIP3 526 24.764 -21.969 -4.157 1.00 0.00 WAT1 ATOM 3015 OH2 TIP3 527 18.887 -20.475 -1.629 1.00 0.00 WAT1 ATOM 3016 H1 TIP3 527 18.649 -20.809 -2.518 1.00 0.00 WAT1 ATOM 3017 H2 TIP3 527 18.883 -21.285 -1.064 1.00 0.00 WAT1 ATOM 3018 OH2 TIP3 528 -0.373 -21.029 -1.609 1.00 0.00 WAT1 ATOM 3019 H1 TIP3 528 -0.110 -21.237 -0.697 1.00 0.00 WAT1 ATOM 3020 H2 TIP3 528 -1.149 -21.612 -1.772 1.00 0.00 WAT1 ATOM 3021 OH2 TIP3 529 20.862 -27.747 1.702 1.00 0.00 WAT1 ATOM 3022 H1 TIP3 529 20.306 -27.408 0.969 1.00 0.00 WAT1 ATOM 3023 H2 TIP3 529 20.939 -28.708 1.521 1.00 0.00 WAT1 ATOM 3024 OH2 TIP3 530 19.157 -25.307 -2.702 1.00 0.00 WAT1 ATOM 3025 H1 TIP3 530 18.178 -25.212 -2.774 1.00 0.00 WAT1 ATOM 3026 H2 TIP3 530 19.510 -24.560 -3.234 1.00 0.00 WAT1 ATOM 3027 OH2 TIP3 531 21.441 -30.492 1.353 1.00 0.00 WAT1 ATOM 3028 H1 TIP3 531 21.868 -30.560 2.236 1.00 0.00 WAT1 ATOM 3029 H2 TIP3 531 20.903 -31.299 1.286 1.00 0.00 WAT1 ATOM 3030 OH2 TIP3 532 5.400 -26.701 0.551 1.00 0.00 WAT1 ATOM 3031 H1 TIP3 532 4.803 -27.413 0.794 1.00 0.00 WAT1 ATOM 3032 H2 TIP3 532 6.163 -27.160 0.130 1.00 0.00 WAT1 ATOM 3033 OH2 TIP3 533 19.194 -26.536 3.577 1.00 0.00 WAT1 ATOM 3034 H1 TIP3 533 19.428 -26.913 4.452 1.00 0.00 WAT1 ATOM 3035 H2 TIP3 533 19.843 -26.937 2.963 1.00 0.00 WAT1 ATOM 3036 OH2 TIP3 534 3.021 -29.410 -8.275 1.00 0.00 WAT1 ATOM 3037 H1 TIP3 534 3.611 -29.869 -7.645 1.00 0.00 WAT1 ATOM 3038 H2 TIP3 534 2.156 -29.367 -7.804 1.00 0.00 WAT1 ATOM 3039 OH2 TIP3 535 10.479 -14.415 -1.023 1.00 0.00 WAT1 ATOM 3040 H1 TIP3 535 11.426 -14.365 -1.287 1.00 0.00 WAT1 ATOM 3041 H2 TIP3 535 10.455 -15.136 -0.358 1.00 0.00 WAT1 ATOM 3042 OH2 TIP3 536 16.356 -30.612 0.904 1.00 0.00 WAT1 ATOM 3043 H1 TIP3 536 16.770 -29.736 0.753 1.00 0.00 WAT1 ATOM 3044 H2 TIP3 536 16.563 -30.811 1.840 1.00 0.00 WAT1 ATOM 3045 OH2 TIP3 537 9.790 -11.948 -4.391 1.00 0.00 WAT1 ATOM 3046 H1 TIP3 537 10.524 -12.026 -3.761 1.00 0.00 WAT1 ATOM 3047 H2 TIP3 537 10.107 -12.417 -5.186 1.00 0.00 WAT1 ATOM 3048 OH2 TIP3 538 13.269 -16.721 -0.372 1.00 0.00 WAT1 ATOM 3049 H1 TIP3 538 13.339 -15.905 -0.907 1.00 0.00 WAT1 ATOM 3050 H2 TIP3 538 12.329 -16.761 -0.124 1.00 0.00 WAT1 ATOM 3051 OH2 TIP3 539 15.740 -13.864 -1.081 1.00 0.00 WAT1 ATOM 3052 H1 TIP3 539 16.063 -14.532 -1.739 1.00 0.00 WAT1 ATOM 3053 H2 TIP3 539 16.459 -13.798 -0.444 1.00 0.00 WAT1 ATOM 3054 OH2 TIP3 540 11.041 -31.464 -6.981 1.00 0.00 WAT1 ATOM 3055 H1 TIP3 540 11.382 -32.336 -6.716 1.00 0.00 WAT1 ATOM 3056 H2 TIP3 540 10.075 -31.523 -6.810 1.00 0.00 WAT1 ATOM 3057 OH2 TIP3 541 0.804 -29.803 -6.763 1.00 0.00 WAT1 ATOM 3058 H1 TIP3 541 -0.114 -29.734 -6.486 1.00 0.00 WAT1 ATOM 3059 H2 TIP3 541 1.061 -30.716 -6.524 1.00 0.00 WAT1 ATOM 3060 OH2 TIP3 542 4.234 -32.396 -16.861 1.00 0.00 WAT1 ATOM 3061 H1 TIP3 542 4.470 -33.269 -17.235 1.00 0.00 WAT1 ATOM 3062 H2 TIP3 542 3.308 -32.504 -16.577 1.00 0.00 WAT1 ATOM 3063 OH2 TIP3 543 5.714 -13.828 -6.618 1.00 0.00 WAT1 ATOM 3064 H1 TIP3 543 5.055 -13.121 -6.781 1.00 0.00 WAT1 ATOM 3065 H2 TIP3 543 6.477 -13.364 -6.252 1.00 0.00 WAT1 ATOM 3066 OH2 TIP3 544 15.679 -15.766 -9.314 1.00 0.00 WAT1 ATOM 3067 H1 TIP3 544 14.948 -16.006 -8.708 1.00 0.00 WAT1 ATOM 3068 H2 TIP3 544 16.494 -16.063 -8.846 1.00 0.00 WAT1 ATOM 3069 OH2 TIP3 545 9.706 -15.610 14.674 1.00 0.00 WAT1 ATOM 3070 H1 TIP3 545 9.726 -15.992 15.556 1.00 0.00 WAT1 ATOM 3071 H2 TIP3 545 8.754 -15.534 14.468 1.00 0.00 WAT1 ATOM 3072 OH2 TIP3 546 10.866 -17.393 5.992 1.00 0.00 WAT1 ATOM 3073 H1 TIP3 546 10.069 -16.991 6.369 1.00 0.00 WAT1 ATOM 3074 H2 TIP3 546 11.408 -17.634 6.779 1.00 0.00 WAT1 ATOM 3075 OH2 TIP3 547 -0.528 -17.045 6.925 1.00 0.00 WAT1 ATOM 3076 H1 TIP3 547 -0.713 -16.134 6.610 1.00 0.00 WAT1 ATOM 3077 H2 TIP3 547 -0.336 -16.930 7.867 1.00 0.00 WAT1 ATOM 3078 OH2 TIP3 548 12.275 -17.816 8.319 1.00 0.00 WAT1 ATOM 3079 H1 TIP3 548 12.892 -18.542 8.463 1.00 0.00 WAT1 ATOM 3080 H2 TIP3 548 12.560 -17.125 8.969 1.00 0.00 WAT1 ATOM 3081 OH2 TIP3 549 8.636 -20.947 11.144 1.00 0.00 WAT1 ATOM 3082 H1 TIP3 549 9.329 -21.591 10.964 1.00 0.00 WAT1 ATOM 3083 H2 TIP3 549 8.566 -20.935 12.105 1.00 0.00 WAT1 ATOM 3084 OH2 TIP3 550 9.862 -16.477 8.641 1.00 0.00 WAT1 ATOM 3085 H1 TIP3 550 10.684 -17.009 8.673 1.00 0.00 WAT1 ATOM 3086 H2 TIP3 550 9.796 -16.086 9.540 1.00 0.00 WAT1 ATOM 3087 OH2 TIP3 551 0.736 -21.638 9.790 1.00 0.00 WAT1 ATOM 3088 H1 TIP3 551 0.938 -22.419 9.265 1.00 0.00 WAT1 ATOM 3089 H2 TIP3 551 0.027 -21.923 10.378 1.00 0.00 WAT1 ATOM 3090 OH2 TIP3 552 2.416 -17.101 11.661 1.00 0.00 WAT1 ATOM 3091 H1 TIP3 552 2.047 -17.886 11.212 1.00 0.00 WAT1 ATOM 3092 H2 TIP3 552 1.642 -16.566 11.889 1.00 0.00 WAT1 ATOM 3093 OH2 TIP3 553 10.362 -12.934 6.218 1.00 0.00 WAT1 ATOM 3094 H1 TIP3 553 11.328 -13.058 6.286 1.00 0.00 WAT1 ATOM 3095 H2 TIP3 553 10.242 -11.963 6.249 1.00 0.00 WAT1 ATOM 3096 OH2 TIP3 554 13.074 -13.525 6.606 1.00 0.00 WAT1 ATOM 3097 H1 TIP3 554 13.840 -12.923 6.593 1.00 0.00 WAT1 ATOM 3098 H2 TIP3 554 12.973 -13.758 7.551 1.00 0.00 WAT1 ATOM 3099 OH2 TIP3 555 7.083 -19.205 9.708 1.00 0.00 WAT1 ATOM 3100 H1 TIP3 555 6.940 -19.606 8.818 1.00 0.00 WAT1 ATOM 3101 H2 TIP3 555 7.636 -19.869 10.182 1.00 0.00 WAT1 ATOM 3102 OH2 TIP3 556 8.688 -14.984 6.684 1.00 0.00 WAT1 ATOM 3103 H1 TIP3 556 9.245 -14.230 6.378 1.00 0.00 WAT1 ATOM 3104 H2 TIP3 556 9.190 -15.361 7.433 1.00 0.00 WAT1 ATOM 3105 OH2 TIP3 557 7.119 -16.773 8.487 1.00 0.00 WAT1 ATOM 3106 H1 TIP3 557 6.992 -17.660 8.887 1.00 0.00 WAT1 ATOM 3107 H2 TIP3 557 8.090 -16.686 8.414 1.00 0.00 WAT1 ATOM 3108 OH2 TIP3 558 2.645 -17.144 8.318 1.00 0.00 WAT1 ATOM 3109 H1 TIP3 558 2.393 -17.559 7.464 1.00 0.00 WAT1 ATOM 3110 H2 TIP3 558 2.505 -17.858 8.979 1.00 0.00 WAT1 ATOM 3111 OH2 TIP3 559 12.476 -15.481 4.690 1.00 0.00 WAT1 ATOM 3112 H1 TIP3 559 11.897 -16.105 5.177 1.00 0.00 WAT1 ATOM 3113 H2 TIP3 559 12.765 -14.839 5.374 1.00 0.00 WAT1 ATOM 3114 OH2 TIP3 560 1.742 -18.091 5.881 1.00 0.00 WAT1 ATOM 3115 H1 TIP3 560 0.881 -17.704 6.161 1.00 0.00 WAT1 ATOM 3116 H2 TIP3 560 1.487 -18.841 5.311 1.00 0.00 WAT1 ATOM 3117 OH2 TIP3 561 4.398 -17.008 5.819 1.00 0.00 WAT1 ATOM 3118 H1 TIP3 561 3.505 -17.378 5.665 1.00 0.00 WAT1 ATOM 3119 H2 TIP3 561 4.944 -17.398 5.104 1.00 0.00 WAT1 ATOM 3120 OH2 TIP3 562 0.852 -15.022 8.573 1.00 0.00 WAT1 ATOM 3121 H1 TIP3 562 1.501 -15.750 8.539 1.00 0.00 WAT1 ATOM 3122 H2 TIP3 562 1.229 -14.398 9.237 1.00 0.00 WAT1 ATOM 3123 OH2 TIP3 563 6.735 -20.088 7.138 1.00 0.00 WAT1 ATOM 3124 H1 TIP3 563 5.861 -20.255 6.769 1.00 0.00 WAT1 ATOM 3125 H2 TIP3 563 7.336 -20.175 6.378 1.00 0.00 WAT1 ATOM 3126 OH2 TIP3 564 8.105 -19.752 4.547 1.00 0.00 WAT1 ATOM 3127 H1 TIP3 564 8.025 -18.812 4.751 1.00 0.00 WAT1 ATOM 3128 H2 TIP3 564 9.030 -19.852 4.244 1.00 0.00 WAT1 ATOM 3129 OH2 TIP3 565 2.183 -19.306 9.991 1.00 0.00 WAT1 ATOM 3130 H1 TIP3 565 1.529 -20.031 9.862 1.00 0.00 WAT1 ATOM 3131 H2 TIP3 565 3.008 -19.767 10.185 1.00 0.00 WAT1 ATOM 3132 OH2 TIP3 566 3.120 -18.306 2.918 1.00 0.00 WAT1 ATOM 3133 H1 TIP3 566 3.174 -19.033 3.568 1.00 0.00 WAT1 ATOM 3134 H2 TIP3 566 4.035 -17.977 2.856 1.00 0.00 WAT1 ATOM 3135 OH2 TIP3 567 3.729 -7.704 10.621 1.00 0.00 WAT1 ATOM 3136 H1 TIP3 567 3.109 -7.277 11.221 1.00 0.00 WAT1 ATOM 3137 H2 TIP3 567 4.137 -8.417 11.163 1.00 0.00 WAT1 ATOM 3138 OH2 TIP3 568 1.691 -14.423 12.969 1.00 0.00 WAT1 ATOM 3139 H1 TIP3 568 1.254 -14.102 13.764 1.00 0.00 WAT1 ATOM 3140 H2 TIP3 568 2.592 -14.672 13.272 1.00 0.00 WAT1 ATOM 3141 OH2 TIP3 569 14.163 -28.442 2.976 1.00 0.00 WAT1 ATOM 3142 H1 TIP3 569 14.934 -28.422 3.581 1.00 0.00 WAT1 ATOM 3143 H2 TIP3 569 13.469 -28.863 3.490 1.00 0.00 WAT1 ATOM 3144 OH2 TIP3 570 16.491 -28.084 4.385 1.00 0.00 WAT1 ATOM 3145 H1 TIP3 570 16.570 -27.322 3.772 1.00 0.00 WAT1 ATOM 3146 H2 TIP3 570 17.138 -27.895 5.080 1.00 0.00 WAT1 ATOM 3147 OH2 TIP3 571 12.760 -15.930 10.155 1.00 0.00 WAT1 ATOM 3148 H1 TIP3 571 12.869 -15.004 9.853 1.00 0.00 WAT1 ATOM 3149 H2 TIP3 571 12.510 -15.845 11.094 1.00 0.00 WAT1 ATOM 3150 OH2 TIP3 572 7.029 -15.367 13.777 1.00 0.00 WAT1 ATOM 3151 H1 TIP3 572 7.276 -14.554 13.284 1.00 0.00 WAT1 ATOM 3152 H2 TIP3 572 7.076 -16.079 13.105 1.00 0.00 WAT1 ATOM 3153 OH2 TIP3 573 4.222 -15.276 13.675 1.00 0.00 WAT1 ATOM 3154 H1 TIP3 573 5.142 -15.138 13.979 1.00 0.00 WAT1 ATOM 3155 H2 TIP3 573 4.068 -16.220 13.808 1.00 0.00 WAT1 ATOM 3156 OH2 TIP3 574 7.052 -17.066 11.591 1.00 0.00 WAT1 ATOM 3157 H1 TIP3 574 7.142 -17.915 11.110 1.00 0.00 WAT1 ATOM 3158 H2 TIP3 574 6.196 -16.706 11.278 1.00 0.00 WAT1 ATOM 3159 OH2 TIP3 575 9.209 -15.430 11.132 1.00 0.00 WAT1 ATOM 3160 H1 TIP3 575 8.522 -16.114 11.293 1.00 0.00 WAT1 ATOM 3161 H2 TIP3 575 8.840 -14.623 11.544 1.00 0.00 WAT1 ATOM 3162 OH2 TIP3 576 2.189 -13.570 10.423 1.00 0.00 WAT1 ATOM 3163 H1 TIP3 576 2.572 -12.677 10.567 1.00 0.00 WAT1 ATOM 3164 H2 TIP3 576 1.923 -13.863 11.322 1.00 0.00 WAT1 ATOM 3165 OH2 TIP3 577 15.946 1.562 -39.026 1.00 0.00 WAT1 ATOM 3166 H1 TIP3 577 15.897 2.518 -38.964 1.00 0.00 WAT1 ATOM 3167 H2 TIP3 577 16.739 1.397 -39.539 1.00 0.00 WAT1 ATOM 3168 OH2 TIP3 578 19.648 -12.182 -36.260 1.00 0.00 WAT1 ATOM 3169 H1 TIP3 578 20.532 -12.237 -35.827 1.00 0.00 WAT1 ATOM 3170 H2 TIP3 578 19.413 -13.121 -36.440 1.00 0.00 WAT1 ATOM 3171 OH2 TIP3 579 12.550 -6.934 -39.131 1.00 0.00 WAT1 ATOM 3172 H1 TIP3 579 13.235 -7.571 -38.848 1.00 0.00 WAT1 ATOM 3173 H2 TIP3 579 12.730 -6.799 -40.085 1.00 0.00 WAT1 ATOM 3174 OH2 TIP3 580 16.204 -9.150 -34.650 1.00 0.00 WAT1 ATOM 3175 H1 TIP3 580 17.057 -9.621 -34.750 1.00 0.00 WAT1 ATOM 3176 H2 TIP3 580 15.608 -9.587 -35.291 1.00 0.00 WAT1 ATOM 3177 OH2 TIP3 581 4.495 -12.253 -31.395 1.00 0.00 WAT1 ATOM 3178 H1 TIP3 581 5.272 -11.789 -31.748 1.00 0.00 WAT1 ATOM 3179 H2 TIP3 581 4.881 -12.993 -30.861 1.00 0.00 WAT1 ATOM 3180 OH2 TIP3 582 17.930 -10.993 -37.993 1.00 0.00 WAT1 ATOM 3181 H1 TIP3 582 17.534 -11.837 -38.305 1.00 0.00 WAT1 ATOM 3182 H2 TIP3 582 18.645 -11.282 -37.381 1.00 0.00 WAT1 ATOM 3183 OH2 TIP3 583 6.643 -16.032 -37.584 1.00 0.00 WAT1 ATOM 3184 H1 TIP3 583 7.523 -15.689 -37.316 1.00 0.00 WAT1 ATOM 3185 H2 TIP3 583 6.836 -16.877 -38.003 1.00 0.00 WAT1 ATOM 3186 OH2 TIP3 584 18.713 -5.828 -39.608 1.00 0.00 WAT1 ATOM 3187 H1 TIP3 584 18.551 -6.731 -39.284 1.00 0.00 WAT1 ATOM 3188 H2 TIP3 584 18.190 -5.264 -39.010 1.00 0.00 WAT1 ATOM 3189 OH2 TIP3 585 5.037 -14.459 -36.016 1.00 0.00 WAT1 ATOM 3190 H1 TIP3 585 5.493 -15.099 -36.613 1.00 0.00 WAT1 ATOM 3191 H2 TIP3 585 4.266 -14.152 -36.538 1.00 0.00 WAT1 ATOM 3192 OH2 TIP3 586 8.547 -7.604 -32.243 1.00 0.00 WAT1 ATOM 3193 H1 TIP3 586 9.261 -7.103 -31.811 1.00 0.00 WAT1 ATOM 3194 H2 TIP3 586 7.748 -7.371 -31.723 1.00 0.00 WAT1 ATOM 3195 OH2 TIP3 587 13.166 -6.953 -41.820 1.00 0.00 WAT1 ATOM 3196 H1 TIP3 587 13.239 -6.666 -42.731 1.00 0.00 WAT1 ATOM 3197 H2 TIP3 587 12.782 -7.855 -41.882 1.00 0.00 WAT1 ATOM 3198 OH2 TIP3 588 10.756 -6.592 -37.158 1.00 0.00 WAT1 ATOM 3199 H1 TIP3 588 11.317 -6.710 -37.964 1.00 0.00 WAT1 ATOM 3200 H2 TIP3 588 11.316 -6.048 -36.563 1.00 0.00 WAT1 ATOM 3201 OH2 TIP3 589 12.966 -11.245 -40.301 1.00 0.00 WAT1 ATOM 3202 H1 TIP3 589 12.770 -10.452 -40.834 1.00 0.00 WAT1 ATOM 3203 H2 TIP3 589 12.085 -11.618 -40.097 1.00 0.00 WAT1 ATOM 3204 OH2 TIP3 590 11.869 -9.339 -42.048 1.00 0.00 WAT1 ATOM 3205 H1 TIP3 590 11.160 -9.236 -41.363 1.00 0.00 WAT1 ATOM 3206 H2 TIP3 590 11.487 -9.946 -42.691 1.00 0.00 WAT1 ATOM 3207 OH2 TIP3 591 10.019 -9.483 -40.121 1.00 0.00 WAT1 ATOM 3208 H1 TIP3 591 9.587 -9.133 -39.319 1.00 0.00 WAT1 ATOM 3209 H2 TIP3 591 10.052 -10.451 -39.976 1.00 0.00 WAT1 ATOM 3210 OH2 TIP3 592 16.793 -4.605 -37.979 1.00 0.00 WAT1 ATOM 3211 H1 TIP3 592 16.312 -4.244 -38.730 1.00 0.00 WAT1 ATOM 3212 H2 TIP3 592 16.130 -5.186 -37.527 1.00 0.00 WAT1 ATOM 3213 OH2 TIP3 593 12.553 -5.160 -35.625 1.00 0.00 WAT1 ATOM 3214 H1 TIP3 593 12.331 -5.074 -34.681 1.00 0.00 WAT1 ATOM 3215 H2 TIP3 593 12.771 -4.241 -35.906 1.00 0.00 WAT1 ATOM 3216 OH2 TIP3 594 4.146 -5.705 -30.537 1.00 0.00 WAT1 ATOM 3217 H1 TIP3 594 5.100 -5.929 -30.595 1.00 0.00 WAT1 ATOM 3218 H2 TIP3 594 4.090 -4.813 -30.889 1.00 0.00 WAT1 ATOM 3219 OH2 TIP3 595 13.194 -2.615 -36.332 1.00 0.00 WAT1 ATOM 3220 H1 TIP3 595 12.648 -1.824 -36.371 1.00 0.00 WAT1 ATOM 3221 H2 TIP3 595 14.014 -2.361 -36.770 1.00 0.00 WAT1 ATOM 3222 OH2 TIP3 596 2.321 -10.882 -33.964 1.00 0.00 WAT1 ATOM 3223 H1 TIP3 596 2.213 -10.595 -34.886 1.00 0.00 WAT1 ATOM 3224 H2 TIP3 596 3.156 -11.402 -33.976 1.00 0.00 WAT1 ATOM 3225 OH2 TIP3 597 7.904 -9.529 -34.091 1.00 0.00 WAT1 ATOM 3226 H1 TIP3 597 8.151 -8.869 -33.404 1.00 0.00 WAT1 ATOM 3227 H2 TIP3 597 7.528 -10.275 -33.580 1.00 0.00 WAT1 ATOM 3228 OH2 TIP3 598 14.527 -8.572 -38.163 1.00 0.00 WAT1 ATOM 3229 H1 TIP3 598 15.029 -8.994 -38.889 1.00 0.00 WAT1 ATOM 3230 H2 TIP3 598 14.420 -9.285 -37.503 1.00 0.00 WAT1 ATOM 3231 OH2 TIP3 599 14.858 -6.118 -36.883 1.00 0.00 WAT1 ATOM 3232 H1 TIP3 599 14.680 -6.967 -37.339 1.00 0.00 WAT1 ATOM 3233 H2 TIP3 599 14.007 -5.893 -36.456 1.00 0.00 WAT1 ATOM 3234 OH2 TIP3 600 9.738 -6.247 -34.549 1.00 0.00 WAT1 ATOM 3235 H1 TIP3 600 9.054 -6.824 -34.175 1.00 0.00 WAT1 ATOM 3236 H2 TIP3 600 9.798 -6.516 -35.485 1.00 0.00 WAT1 ATOM 3237 OH2 TIP3 601 11.626 -5.270 -32.927 1.00 0.00 WAT1 ATOM 3238 H1 TIP3 601 10.950 -5.570 -33.584 1.00 0.00 WAT1 ATOM 3239 H2 TIP3 601 11.177 -5.384 -32.061 1.00 0.00 WAT1 ATOM 3240 OH2 TIP3 602 7.652 -10.385 -29.226 1.00 0.00 WAT1 ATOM 3241 H1 TIP3 602 7.182 -11.213 -28.949 1.00 0.00 WAT1 ATOM 3242 H2 TIP3 602 8.248 -10.683 -29.927 1.00 0.00 WAT1 ATOM 3243 OH2 TIP3 603 8.916 -10.437 -36.487 1.00 0.00 WAT1 ATOM 3244 H1 TIP3 603 8.610 -10.156 -35.598 1.00 0.00 WAT1 ATOM 3245 H2 TIP3 603 8.866 -9.617 -37.025 1.00 0.00 WAT1 ATOM 3246 OH2 TIP3 604 8.746 -8.172 -38.008 1.00 0.00 WAT1 ATOM 3247 H1 TIP3 604 9.495 -7.607 -37.697 1.00 0.00 WAT1 ATOM 3248 H2 TIP3 604 8.116 -7.543 -38.378 1.00 0.00 WAT1 ATOM 3249 OH2 TIP3 605 14.134 -6.317 -32.090 1.00 0.00 WAT1 ATOM 3250 H1 TIP3 605 13.293 -6.028 -32.493 1.00 0.00 WAT1 ATOM 3251 H2 TIP3 605 14.762 -5.594 -32.305 1.00 0.00 WAT1 ATOM 3252 OH2 TIP3 606 1.976 -9.200 -31.777 1.00 0.00 WAT1 ATOM 3253 H1 TIP3 606 1.340 -8.599 -32.179 1.00 0.00 WAT1 ATOM 3254 H2 TIP3 606 2.165 -9.856 -32.484 1.00 0.00 WAT1 ATOM 3255 OH2 TIP3 607 8.627 -12.618 -38.029 1.00 0.00 WAT1 ATOM 3256 H1 TIP3 607 8.843 -11.836 -37.462 1.00 0.00 WAT1 ATOM 3257 H2 TIP3 607 7.686 -12.521 -38.213 1.00 0.00 WAT1 ATOM 3258 OH2 TIP3 608 1.778 -12.515 -31.629 1.00 0.00 WAT1 ATOM 3259 H1 TIP3 608 1.612 -12.040 -32.458 1.00 0.00 WAT1 ATOM 3260 H2 TIP3 608 2.756 -12.523 -31.552 1.00 0.00 WAT1 ATOM 3261 OH2 TIP3 609 17.798 -4.861 -35.298 1.00 0.00 WAT1 ATOM 3262 H1 TIP3 609 17.629 -4.495 -36.185 1.00 0.00 WAT1 ATOM 3263 H2 TIP3 609 17.976 -5.812 -35.465 1.00 0.00 WAT1 ATOM 3264 OH2 TIP3 610 18.302 -4.595 -32.662 1.00 0.00 WAT1 ATOM 3265 H1 TIP3 610 18.159 -4.643 -33.636 1.00 0.00 WAT1 ATOM 3266 H2 TIP3 610 19.214 -4.871 -32.546 1.00 0.00 WAT1 ATOM 3267 OH2 TIP3 611 16.406 -9.766 -39.964 1.00 0.00 WAT1 ATOM 3268 H1 TIP3 611 16.961 -10.116 -39.235 1.00 0.00 WAT1 ATOM 3269 H2 TIP3 611 16.916 -9.024 -40.313 1.00 0.00 WAT1 ATOM 3270 OH2 TIP3 612 18.060 -7.518 -35.845 1.00 0.00 WAT1 ATOM 3271 H1 TIP3 612 18.573 -8.269 -35.479 1.00 0.00 WAT1 ATOM 3272 H2 TIP3 612 17.144 -7.695 -35.554 1.00 0.00 WAT1 ATOM 3273 OH2 TIP3 613 0.406 -12.476 -29.266 1.00 0.00 WAT1 ATOM 3274 H1 TIP3 613 0.618 -11.553 -29.028 1.00 0.00 WAT1 ATOM 3275 H2 TIP3 613 0.790 -12.582 -30.167 1.00 0.00 WAT1 ATOM 3276 OH2 TIP3 614 5.491 -9.837 -35.630 1.00 0.00 WAT1 ATOM 3277 H1 TIP3 614 6.315 -9.519 -35.218 1.00 0.00 WAT1 ATOM 3278 H2 TIP3 614 5.299 -10.674 -35.163 1.00 0.00 WAT1 ATOM 3279 OH2 TIP3 615 10.427 -12.222 -40.031 1.00 0.00 WAT1 ATOM 3280 H1 TIP3 615 9.786 -12.552 -39.367 1.00 0.00 WAT1 ATOM 3281 H2 TIP3 615 10.759 -13.041 -40.473 1.00 0.00 WAT1 ATOM 3282 OH2 TIP3 616 15.405 -12.226 -40.798 1.00 0.00 WAT1 ATOM 3283 H1 TIP3 616 15.868 -11.364 -40.773 1.00 0.00 WAT1 ATOM 3284 H2 TIP3 616 14.466 -11.993 -40.587 1.00 0.00 WAT1 ATOM 3285 OH2 TIP3 617 11.646 -14.408 -41.170 1.00 0.00 WAT1 ATOM 3286 H1 TIP3 617 12.620 -14.327 -41.178 1.00 0.00 WAT1 ATOM 3287 H2 TIP3 617 11.475 -15.220 -41.671 1.00 0.00 WAT1 ATOM 3288 OH2 TIP3 618 9.916 -5.722 -22.837 1.00 0.00 WAT1 ATOM 3289 H1 TIP3 618 9.595 -6.079 -23.693 1.00 0.00 WAT1 ATOM 3290 H2 TIP3 618 10.803 -5.369 -23.051 1.00 0.00 WAT1 ATOM 3291 OH2 TIP3 619 4.603 -6.239 -22.975 1.00 0.00 WAT1 ATOM 3292 H1 TIP3 619 4.954 -6.785 -23.709 1.00 0.00 WAT1 ATOM 3293 H2 TIP3 619 3.639 -6.276 -23.096 1.00 0.00 WAT1 ATOM 3294 OH2 TIP3 620 1.068 -8.106 -27.089 1.00 0.00 WAT1 ATOM 3295 H1 TIP3 620 1.253 -8.848 -27.708 1.00 0.00 WAT1 ATOM 3296 H2 TIP3 620 0.810 -7.380 -27.665 1.00 0.00 WAT1 ATOM 3297 OH2 TIP3 621 18.366 -8.923 -19.341 1.00 0.00 WAT1 ATOM 3298 H1 TIP3 621 17.498 -9.155 -18.979 1.00 0.00 WAT1 ATOM 3299 H2 TIP3 621 18.722 -8.263 -18.703 1.00 0.00 WAT1 ATOM 3300 OH2 TIP3 622 18.018 -4.680 -20.906 1.00 0.00 WAT1 ATOM 3301 H1 TIP3 622 18.008 -5.614 -21.203 1.00 0.00 WAT1 ATOM 3302 H2 TIP3 622 18.691 -4.265 -21.452 1.00 0.00 WAT1 ATOM 3303 OH2 TIP3 623 4.787 -9.884 -23.241 1.00 0.00 WAT1 ATOM 3304 H1 TIP3 623 3.867 -10.210 -23.123 1.00 0.00 WAT1 ATOM 3305 H2 TIP3 623 5.250 -10.199 -22.445 1.00 0.00 WAT1 ATOM 3306 OH2 TIP3 624 2.386 -7.480 -24.757 1.00 0.00 WAT1 ATOM 3307 H1 TIP3 624 3.321 -7.605 -24.990 1.00 0.00 WAT1 ATOM 3308 H2 TIP3 624 1.908 -7.620 -25.606 1.00 0.00 WAT1 ATOM 3309 OH2 TIP3 625 15.689 -9.272 -15.878 1.00 0.00 WAT1 ATOM 3310 H1 TIP3 625 15.835 -8.649 -16.619 1.00 0.00 WAT1 ATOM 3311 H2 TIP3 625 16.436 -9.914 -15.957 1.00 0.00 WAT1 ATOM 3312 OH2 TIP3 626 5.868 -2.840 -19.257 1.00 0.00 WAT1 ATOM 3313 H1 TIP3 626 5.117 -2.280 -19.473 1.00 0.00 WAT1 ATOM 3314 H2 TIP3 626 5.995 -3.392 -20.060 1.00 0.00 WAT1 ATOM 3315 OH2 TIP3 627 11.762 -12.542 -19.697 1.00 0.00 WAT1 ATOM 3316 H1 TIP3 627 12.101 -12.772 -20.590 1.00 0.00 WAT1 ATOM 3317 H2 TIP3 627 11.586 -13.412 -19.281 1.00 0.00 WAT1 ATOM 3318 OH2 TIP3 628 8.356 -5.110 -28.700 1.00 0.00 WAT1 ATOM 3319 H1 TIP3 628 8.469 -4.200 -28.398 1.00 0.00 WAT1 ATOM 3320 H2 TIP3 628 7.981 -5.578 -27.920 1.00 0.00 WAT1 ATOM 3321 OH2 TIP3 629 10.326 -5.760 -30.556 1.00 0.00 WAT1 ATOM 3322 H1 TIP3 629 9.586 -5.577 -29.941 1.00 0.00 WAT1 ATOM 3323 H2 TIP3 629 11.127 -5.523 -30.040 1.00 0.00 WAT1 ATOM 3324 OH2 TIP3 630 18.349 -6.490 -14.902 1.00 0.00 WAT1 ATOM 3325 H1 TIP3 630 18.229 -6.802 -13.994 1.00 0.00 WAT1 ATOM 3326 H2 TIP3 630 17.485 -6.095 -15.132 1.00 0.00 WAT1 ATOM 3327 OH2 TIP3 631 15.431 -6.760 -20.290 1.00 0.00 WAT1 ATOM 3328 H1 TIP3 631 15.375 -5.792 -20.111 1.00 0.00 WAT1 ATOM 3329 H2 TIP3 631 16.170 -6.843 -20.923 1.00 0.00 WAT1 ATOM 3330 OH2 TIP3 632 6.103 -4.295 -21.546 1.00 0.00 WAT1 ATOM 3331 H1 TIP3 632 6.946 -4.182 -22.001 1.00 0.00 WAT1 ATOM 3332 H2 TIP3 632 5.566 -4.832 -22.164 1.00 0.00 WAT1 ATOM 3333 OH2 TIP3 633 12.526 -4.725 -29.231 1.00 0.00 WAT1 ATOM 3334 H1 TIP3 633 13.390 -4.789 -28.808 1.00 0.00 WAT1 ATOM 3335 H2 TIP3 633 12.693 -4.162 -30.026 1.00 0.00 WAT1 ATOM 3336 OH2 TIP3 634 5.753 -7.121 -12.996 1.00 0.00 WAT1 ATOM 3337 H1 TIP3 634 4.908 -6.621 -12.941 1.00 0.00 WAT1 ATOM 3338 H2 TIP3 634 5.783 -7.435 -13.923 1.00 0.00 WAT1 ATOM 3339 OH2 TIP3 635 12.725 -10.594 -14.380 1.00 0.00 WAT1 ATOM 3340 H1 TIP3 635 12.575 -10.967 -15.270 1.00 0.00 WAT1 ATOM 3341 H2 TIP3 635 13.120 -9.717 -14.550 1.00 0.00 WAT1 ATOM 3342 OH2 TIP3 636 13.254 -3.464 -31.544 1.00 0.00 WAT1 ATOM 3343 H1 TIP3 636 12.671 -3.855 -32.219 1.00 0.00 WAT1 ATOM 3344 H2 TIP3 636 14.140 -3.477 -31.957 1.00 0.00 WAT1 ATOM 3345 OH2 TIP3 637 5.192 -7.968 -25.115 1.00 0.00 WAT1 ATOM 3346 H1 TIP3 637 5.355 -8.429 -25.956 1.00 0.00 WAT1 ATOM 3347 H2 TIP3 637 5.109 -8.700 -24.451 1.00 0.00 WAT1 ATOM 3348 OH2 TIP3 638 11.579 -6.105 -26.985 1.00 0.00 WAT1 ATOM 3349 H1 TIP3 638 11.774 -5.533 -27.756 1.00 0.00 WAT1 ATOM 3350 H2 TIP3 638 12.102 -6.923 -27.156 1.00 0.00 WAT1 ATOM 3351 OH2 TIP3 639 10.592 -7.510 -15.227 1.00 0.00 WAT1 ATOM 3352 H1 TIP3 639 10.342 -6.779 -14.621 1.00 0.00 WAT1 ATOM 3353 H2 TIP3 639 9.763 -7.710 -15.716 1.00 0.00 WAT1 ATOM 3354 OH2 TIP3 640 11.938 -8.494 -24.827 1.00 0.00 WAT1 ATOM 3355 H1 TIP3 640 12.295 -8.618 -25.735 1.00 0.00 WAT1 ATOM 3356 H2 TIP3 640 11.027 -8.182 -24.971 1.00 0.00 WAT1 ATOM 3357 OH2 TIP3 641 5.460 -7.681 -15.727 1.00 0.00 WAT1 ATOM 3358 H1 TIP3 641 5.088 -6.775 -15.822 1.00 0.00 WAT1 ATOM 3359 H2 TIP3 641 4.741 -8.267 -16.057 1.00 0.00 WAT1 ATOM 3360 OH2 TIP3 642 3.868 -11.733 -28.740 1.00 0.00 WAT1 ATOM 3361 H1 TIP3 642 4.795 -12.004 -28.540 1.00 0.00 WAT1 ATOM 3362 H2 TIP3 642 3.826 -11.757 -29.714 1.00 0.00 WAT1 ATOM 3363 OH2 TIP3 643 10.371 -10.247 -18.908 1.00 0.00 WAT1 ATOM 3364 H1 TIP3 643 10.858 -10.996 -19.307 1.00 0.00 WAT1 ATOM 3365 H2 TIP3 643 10.875 -10.036 -18.113 1.00 0.00 WAT1 ATOM 3366 OH2 TIP3 644 2.699 -13.166 -26.714 1.00 0.00 WAT1 ATOM 3367 H1 TIP3 644 3.013 -12.516 -27.382 1.00 0.00 WAT1 ATOM 3368 H2 TIP3 644 1.918 -13.571 -27.124 1.00 0.00 WAT1 ATOM 3369 OH2 TIP3 645 7.162 -6.584 -26.685 1.00 0.00 WAT1 ATOM 3370 H1 TIP3 645 6.864 -7.286 -27.314 1.00 0.00 WAT1 ATOM 3371 H2 TIP3 645 6.489 -6.600 -25.983 1.00 0.00 WAT1 ATOM 3372 OH2 TIP3 646 6.033 -8.492 -28.225 1.00 0.00 WAT1 ATOM 3373 H1 TIP3 646 5.223 -8.619 -28.774 1.00 0.00 WAT1 ATOM 3374 H2 TIP3 646 6.641 -9.214 -28.524 1.00 0.00 WAT1 ATOM 3375 OH2 TIP3 647 4.394 -5.162 -15.529 1.00 0.00 WAT1 ATOM 3376 H1 TIP3 647 4.849 -4.315 -15.554 1.00 0.00 WAT1 ATOM 3377 H2 TIP3 647 4.033 -5.215 -14.624 1.00 0.00 WAT1 ATOM 3378 OH2 TIP3 648 15.775 -5.833 -15.629 1.00 0.00 WAT1 ATOM 3379 H1 TIP3 648 15.292 -5.035 -15.874 1.00 0.00 WAT1 ATOM 3380 H2 TIP3 648 15.786 -6.369 -16.452 1.00 0.00 WAT1 ATOM 3381 OH2 TIP3 649 12.998 -8.419 -27.402 1.00 0.00 WAT1 ATOM 3382 H1 TIP3 649 13.131 -8.305 -28.373 1.00 0.00 WAT1 ATOM 3383 H2 TIP3 649 13.641 -9.127 -27.159 1.00 0.00 WAT1 ATOM 3384 OH2 TIP3 650 5.036 -6.786 -20.287 1.00 0.00 WAT1 ATOM 3385 H1 TIP3 650 5.483 -5.955 -20.061 1.00 0.00 WAT1 ATOM 3386 H2 TIP3 650 4.850 -6.704 -21.247 1.00 0.00 WAT1 ATOM 3387 OH2 TIP3 651 10.521 -1.239 -13.914 1.00 0.00 WAT1 ATOM 3388 H1 TIP3 651 9.665 -0.999 -14.333 1.00 0.00 WAT1 ATOM 3389 H2 TIP3 651 11.101 -0.502 -14.124 1.00 0.00 WAT1 ATOM 3390 OH2 TIP3 652 13.624 -8.089 -30.020 1.00 0.00 WAT1 ATOM 3391 H1 TIP3 652 14.279 -8.656 -30.472 1.00 0.00 WAT1 ATOM 3392 H2 TIP3 652 13.603 -7.278 -30.563 1.00 0.00 WAT1 ATOM 3393 OH2 TIP3 653 15.685 -4.161 -19.588 1.00 0.00 WAT1 ATOM 3394 H1 TIP3 653 15.423 -3.246 -19.714 1.00 0.00 WAT1 ATOM 3395 H2 TIP3 653 16.587 -4.211 -19.979 1.00 0.00 WAT1 ATOM 3396 OH2 TIP3 654 9.539 -6.830 -25.310 1.00 0.00 WAT1 ATOM 3397 H1 TIP3 654 10.195 -6.498 -25.963 1.00 0.00 WAT1 ATOM 3398 H2 TIP3 654 8.692 -6.832 -25.803 1.00 0.00 WAT1 ATOM 3399 OH2 TIP3 655 9.122 -16.096 -26.885 1.00 0.00 WAT1 ATOM 3400 H1 TIP3 655 9.680 -15.602 -27.514 1.00 0.00 WAT1 ATOM 3401 H2 TIP3 655 9.284 -17.026 -27.105 1.00 0.00 WAT1 ATOM 3402 OH2 TIP3 656 12.524 -11.488 -17.151 1.00 0.00 WAT1 ATOM 3403 H1 TIP3 656 12.257 -11.918 -17.987 1.00 0.00 WAT1 ATOM 3404 H2 TIP3 656 13.489 -11.522 -17.166 1.00 0.00 WAT1 ATOM 3405 OH2 TIP3 657 12.273 -5.696 -24.266 1.00 0.00 WAT1 ATOM 3406 H1 TIP3 657 12.082 -5.566 -25.211 1.00 0.00 WAT1 ATOM 3407 H2 TIP3 657 12.551 -6.622 -24.207 1.00 0.00 WAT1 ATOM 3408 OH2 TIP3 658 4.061 -8.412 -30.108 1.00 0.00 WAT1 ATOM 3409 H1 TIP3 658 3.467 -8.789 -30.783 1.00 0.00 WAT1 ATOM 3410 H2 TIP3 658 3.952 -7.444 -30.208 1.00 0.00 WAT1 ATOM 3411 OH2 TIP3 659 3.446 -5.661 -12.897 1.00 0.00 WAT1 ATOM 3412 H1 TIP3 659 2.916 -4.860 -12.673 1.00 0.00 WAT1 ATOM 3413 H2 TIP3 659 2.763 -6.351 -13.099 1.00 0.00 WAT1 ATOM 3414 OH2 TIP3 660 7.574 -1.939 -17.265 1.00 0.00 WAT1 ATOM 3415 H1 TIP3 660 8.363 -2.195 -17.748 1.00 0.00 WAT1 ATOM 3416 H2 TIP3 660 6.836 -2.271 -17.823 1.00 0.00 WAT1 ATOM 3417 OH2 TIP3 661 1.523 -7.427 -13.608 1.00 0.00 WAT1 ATOM 3418 H1 TIP3 661 1.041 -8.270 -13.473 1.00 0.00 WAT1 ATOM 3419 H2 TIP3 661 1.341 -7.200 -14.543 1.00 0.00 WAT1 ATOM 3420 OH2 TIP3 662 6.386 -9.022 -19.419 1.00 0.00 WAT1 ATOM 3421 H1 TIP3 662 6.023 -9.782 -19.906 1.00 0.00 WAT1 ATOM 3422 H2 TIP3 662 5.803 -8.275 -19.672 1.00 0.00 WAT1 ATOM 3423 OH2 TIP3 663 6.739 -6.644 -30.329 1.00 0.00 WAT1 ATOM 3424 H1 TIP3 663 6.514 -7.363 -29.706 1.00 0.00 WAT1 ATOM 3425 H2 TIP3 663 7.320 -6.050 -29.810 1.00 0.00 WAT1 ATOM 3426 OH2 TIP3 664 10.303 -3.310 -12.170 1.00 0.00 WAT1 ATOM 3427 H1 TIP3 664 11.002 -3.212 -11.489 1.00 0.00 WAT1 ATOM 3428 H2 TIP3 664 10.503 -2.600 -12.827 1.00 0.00 WAT1 ATOM 3429 OH2 TIP3 665 15.625 -4.154 -32.936 1.00 0.00 WAT1 ATOM 3430 H1 TIP3 665 16.530 -4.222 -32.554 1.00 0.00 WAT1 ATOM 3431 H2 TIP3 665 15.779 -4.124 -33.893 1.00 0.00 WAT1 ATOM 3432 OH2 TIP3 666 8.123 -8.197 -16.290 1.00 0.00 WAT1 ATOM 3433 H1 TIP3 666 7.931 -8.956 -16.857 1.00 0.00 WAT1 ATOM 3434 H2 TIP3 666 7.235 -7.893 -15.991 1.00 0.00 WAT1 ATOM 3435 OH2 TIP3 667 8.403 -7.289 -18.934 1.00 0.00 WAT1 ATOM 3436 H1 TIP3 667 7.656 -7.903 -19.119 1.00 0.00 WAT1 ATOM 3437 H2 TIP3 667 8.420 -7.225 -17.964 1.00 0.00 WAT1 ATOM 3438 OH2 TIP3 668 13.307 -7.886 -14.730 1.00 0.00 WAT1 ATOM 3439 H1 TIP3 668 12.460 -7.685 -15.184 1.00 0.00 WAT1 ATOM 3440 H2 TIP3 668 13.949 -7.993 -15.451 1.00 0.00 WAT1 ATOM 3441 OH2 TIP3 669 10.238 -5.923 -12.990 1.00 0.00 WAT1 ATOM 3442 H1 TIP3 669 10.156 -4.957 -12.831 1.00 0.00 WAT1 ATOM 3443 H2 TIP3 669 11.145 -6.138 -12.685 1.00 0.00 WAT1 ATOM 3444 OH2 TIP3 670 15.287 -8.848 -32.096 1.00 0.00 WAT1 ATOM 3445 H1 TIP3 670 15.681 -9.031 -32.974 1.00 0.00 WAT1 ATOM 3446 H2 TIP3 670 14.972 -7.923 -32.166 1.00 0.00 WAT1 ATOM 3447 OH2 TIP3 671 16.160 -7.073 -13.111 1.00 0.00 WAT1 ATOM 3448 H1 TIP3 671 15.828 -6.671 -13.939 1.00 0.00 WAT1 ATOM 3449 H2 TIP3 671 16.053 -8.036 -13.252 1.00 0.00 WAT1 ATOM 3450 OH2 TIP3 672 14.757 -10.405 -26.816 1.00 0.00 WAT1 ATOM 3451 H1 TIP3 672 15.686 -10.460 -27.054 1.00 0.00 WAT1 ATOM 3452 H2 TIP3 672 14.524 -11.325 -26.552 1.00 0.00 WAT1 ATOM 3453 OH2 TIP3 673 17.821 -7.367 -21.560 1.00 0.00 WAT1 ATOM 3454 H1 TIP3 673 17.770 -7.951 -22.327 1.00 0.00 WAT1 ATOM 3455 H2 TIP3 673 18.154 -7.945 -20.838 1.00 0.00 WAT1 ATOM 3456 OH2 TIP3 674 16.212 -7.423 -17.804 1.00 0.00 WAT1 ATOM 3457 H1 TIP3 674 15.856 -7.212 -18.699 1.00 0.00 WAT1 ATOM 3458 H2 TIP3 674 17.144 -7.120 -17.838 1.00 0.00 WAT1 ATOM 3459 OH2 TIP3 675 2.711 -7.894 -19.316 1.00 0.00 WAT1 ATOM 3460 H1 TIP3 675 3.508 -7.427 -19.644 1.00 0.00 WAT1 ATOM 3461 H2 TIP3 675 2.924 -8.102 -18.380 1.00 0.00 WAT1 ATOM 3462 OH2 TIP3 676 18.949 -11.850 -13.602 1.00 0.00 WAT1 ATOM 3463 H1 TIP3 676 19.548 -12.601 -13.839 1.00 0.00 WAT1 ATOM 3464 H2 TIP3 676 18.067 -12.275 -13.510 1.00 0.00 WAT1 ATOM 3465 OH2 TIP3 677 15.774 -13.963 -29.521 1.00 0.00 WAT1 ATOM 3466 H1 TIP3 677 15.083 -13.631 -30.115 1.00 0.00 WAT1 ATOM 3467 H2 TIP3 677 15.294 -14.540 -28.890 1.00 0.00 WAT1 ATOM 3468 OH2 TIP3 678 0.518 -9.350 -23.944 1.00 0.00 WAT1 ATOM 3469 H1 TIP3 678 1.132 -8.585 -23.989 1.00 0.00 WAT1 ATOM 3470 H2 TIP3 678 0.138 -9.397 -24.831 1.00 0.00 WAT1 ATOM 3471 OH2 TIP3 679 17.888 -10.855 -16.047 1.00 0.00 WAT1 ATOM 3472 H1 TIP3 679 18.524 -11.079 -16.761 1.00 0.00 WAT1 ATOM 3473 H2 TIP3 679 18.325 -11.167 -15.233 1.00 0.00 WAT1 ATOM 3474 OH2 TIP3 680 1.439 -13.551 -22.856 1.00 0.00 WAT1 ATOM 3475 H1 TIP3 680 1.622 -13.623 -21.902 1.00 0.00 WAT1 ATOM 3476 H2 TIP3 680 0.491 -13.773 -22.938 1.00 0.00 WAT1 ATOM 3477 OH2 TIP3 681 17.279 -15.255 -15.300 1.00 0.00 WAT1 ATOM 3478 H1 TIP3 681 18.095 -15.408 -15.815 1.00 0.00 WAT1 ATOM 3479 H2 TIP3 681 17.230 -16.022 -14.697 1.00 0.00 WAT1 ATOM 3480 OH2 TIP3 682 12.445 -13.852 -22.104 1.00 0.00 WAT1 ATOM 3481 H1 TIP3 682 13.331 -14.009 -22.474 1.00 0.00 WAT1 ATOM 3482 H2 TIP3 682 11.863 -14.406 -22.650 1.00 0.00 WAT1 ATOM 3483 OH2 TIP3 683 13.156 -9.680 -22.665 1.00 0.00 WAT1 ATOM 3484 H1 TIP3 683 13.329 -10.576 -22.971 1.00 0.00 WAT1 ATOM 3485 H2 TIP3 683 12.790 -9.223 -23.455 1.00 0.00 WAT1 ATOM 3486 OH2 TIP3 684 3.485 -16.054 -28.223 1.00 0.00 WAT1 ATOM 3487 H1 TIP3 684 3.498 -15.104 -28.427 1.00 0.00 WAT1 ATOM 3488 H2 TIP3 684 3.008 -16.109 -27.365 1.00 0.00 WAT1 ATOM 3489 OH2 TIP3 685 14.305 -15.500 -27.652 1.00 0.00 WAT1 ATOM 3490 H1 TIP3 685 13.476 -15.953 -27.423 1.00 0.00 WAT1 ATOM 3491 H2 TIP3 685 14.975 -15.960 -27.106 1.00 0.00 WAT1 ATOM 3492 OH2 TIP3 686 12.642 -0.572 -4.400 1.00 0.00 WAT1 ATOM 3493 H1 TIP3 686 11.854 -0.111 -4.748 1.00 0.00 WAT1 ATOM 3494 H2 TIP3 686 12.268 -1.288 -3.848 1.00 0.00 WAT1 ATOM 3495 OH2 TIP3 687 4.726 -1.878 -4.925 1.00 0.00 WAT1 ATOM 3496 H1 TIP3 687 5.693 -1.828 -5.085 1.00 0.00 WAT1 ATOM 3497 H2 TIP3 687 4.360 -1.195 -5.504 1.00 0.00 WAT1 ATOM 3498 OH2 TIP3 688 4.568 -5.967 -7.060 1.00 0.00 WAT1 ATOM 3499 H1 TIP3 688 4.005 -5.338 -6.551 1.00 0.00 WAT1 ATOM 3500 H2 TIP3 688 4.418 -5.720 -7.991 1.00 0.00 WAT1 ATOM 3501 OH2 TIP3 689 4.815 -7.570 -4.851 1.00 0.00 WAT1 ATOM 3502 H1 TIP3 689 4.726 -6.960 -5.612 1.00 0.00 WAT1 ATOM 3503 H2 TIP3 689 4.796 -8.458 -5.259 1.00 0.00 WAT1 ATOM 3504 OH2 TIP3 690 17.656 -11.792 -3.779 1.00 0.00 WAT1 ATOM 3505 H1 TIP3 690 17.792 -12.664 -4.196 1.00 0.00 WAT1 ATOM 3506 H2 TIP3 690 18.540 -11.356 -3.837 1.00 0.00 WAT1 ATOM 3507 OH2 TIP3 691 10.502 -3.932 -8.186 1.00 0.00 WAT1 ATOM 3508 H1 TIP3 691 10.220 -3.099 -7.735 1.00 0.00 WAT1 ATOM 3509 H2 TIP3 691 11.001 -3.622 -8.966 1.00 0.00 WAT1 ATOM 3510 OH2 TIP3 692 11.346 -2.675 -3.242 1.00 0.00 WAT1 ATOM 3511 H1 TIP3 692 11.939 -3.301 -3.724 1.00 0.00 WAT1 ATOM 3512 H2 TIP3 692 10.497 -2.733 -3.724 1.00 0.00 WAT1 ATOM 3513 OH2 TIP3 693 6.710 -3.121 0.469 1.00 0.00 WAT1 ATOM 3514 H1 TIP3 693 6.071 -3.786 0.762 1.00 0.00 WAT1 ATOM 3515 H2 TIP3 693 7.438 -3.180 1.136 1.00 0.00 WAT1 ATOM 3516 OH2 TIP3 694 6.591 -1.427 -9.823 1.00 0.00 WAT1 ATOM 3517 H1 TIP3 694 5.839 -0.951 -10.199 1.00 0.00 WAT1 ATOM 3518 H2 TIP3 694 7.170 -1.612 -10.603 1.00 0.00 WAT1 ATOM 3519 OH2 TIP3 695 15.234 -2.248 -1.503 1.00 0.00 WAT1 ATOM 3520 H1 TIP3 695 14.296 -2.284 -1.200 1.00 0.00 WAT1 ATOM 3521 H2 TIP3 695 15.214 -1.663 -2.267 1.00 0.00 WAT1 ATOM 3522 OH2 TIP3 696 15.266 -11.627 -2.552 1.00 0.00 WAT1 ATOM 3523 H1 TIP3 696 15.426 -12.350 -1.914 1.00 0.00 WAT1 ATOM 3524 H2 TIP3 696 16.139 -11.505 -2.995 1.00 0.00 WAT1 ATOM 3525 OH2 TIP3 697 12.389 -3.504 -10.321 1.00 0.00 WAT1 ATOM 3526 H1 TIP3 697 12.929 -3.404 -9.515 1.00 0.00 WAT1 ATOM 3527 H2 TIP3 697 12.920 -4.095 -10.884 1.00 0.00 WAT1 ATOM 3528 OH2 TIP3 698 14.226 -4.290 -8.281 1.00 0.00 WAT1 ATOM 3529 H1 TIP3 698 14.800 -3.993 -7.545 1.00 0.00 WAT1 ATOM 3530 H2 TIP3 698 13.542 -4.832 -7.843 1.00 0.00 WAT1 ATOM 3531 OH2 TIP3 699 16.049 -4.772 -1.037 1.00 0.00 WAT1 ATOM 3532 H1 TIP3 699 15.792 -3.829 -1.171 1.00 0.00 WAT1 ATOM 3533 H2 TIP3 699 16.670 -4.950 -1.747 1.00 0.00 WAT1 ATOM 3534 OH2 TIP3 700 11.810 -7.103 -9.551 1.00 0.00 WAT1 ATOM 3535 H1 TIP3 700 12.024 -6.862 -10.471 1.00 0.00 WAT1 ATOM 3536 H2 TIP3 700 12.659 -7.446 -9.192 1.00 0.00 WAT1 ATOM 3537 OH2 TIP3 701 12.762 -11.207 -11.676 1.00 0.00 WAT1 ATOM 3538 H1 TIP3 701 12.782 -10.996 -12.636 1.00 0.00 WAT1 ATOM 3539 H2 TIP3 701 13.610 -11.674 -11.519 1.00 0.00 WAT1 ATOM 3540 OH2 TIP3 702 21.639 -10.405 -1.760 1.00 0.00 WAT1 ATOM 3541 H1 TIP3 702 21.838 -11.103 -1.129 1.00 0.00 WAT1 ATOM 3542 H2 TIP3 702 21.461 -9.634 -1.214 1.00 0.00 WAT1 ATOM 3543 OH2 TIP3 703 14.258 -7.706 -8.562 1.00 0.00 WAT1 ATOM 3544 H1 TIP3 703 14.678 -8.023 -9.394 1.00 0.00 WAT1 ATOM 3545 H2 TIP3 703 14.931 -7.108 -8.171 1.00 0.00 WAT1 ATOM 3546 OH2 TIP3 704 12.668 -9.245 -1.764 1.00 0.00 WAT1 ATOM 3547 H1 TIP3 704 11.985 -9.147 -1.069 1.00 0.00 WAT1 ATOM 3548 H2 TIP3 704 13.512 -9.182 -1.274 1.00 0.00 WAT1 ATOM 3549 OH2 TIP3 705 6.701 -4.356 -5.782 1.00 0.00 WAT1 ATOM 3550 H1 TIP3 705 5.939 -4.953 -5.764 1.00 0.00 WAT1 ATOM 3551 H2 TIP3 705 6.731 -4.042 -6.714 1.00 0.00 WAT1 ATOM 3552 OH2 TIP3 706 6.378 -0.787 -0.887 1.00 0.00 WAT1 ATOM 3553 H1 TIP3 706 6.541 -1.589 -0.332 1.00 0.00 WAT1 ATOM 3554 H2 TIP3 706 5.860 -0.207 -0.317 1.00 0.00 WAT1 ATOM 3555 OH2 TIP3 707 12.638 -2.556 -0.764 1.00 0.00 WAT1 ATOM 3556 H1 TIP3 707 12.096 -3.081 -0.142 1.00 0.00 WAT1 ATOM 3557 H2 TIP3 707 12.106 -2.530 -1.584 1.00 0.00 WAT1 ATOM 3558 OH2 TIP3 708 9.787 -3.064 4.858 1.00 0.00 WAT1 ATOM 3559 H1 TIP3 708 9.056 -3.574 5.268 1.00 0.00 WAT1 ATOM 3560 H2 TIP3 708 9.555 -2.125 5.048 1.00 0.00 WAT1 ATOM 3561 OH2 TIP3 709 14.843 -10.702 -9.279 1.00 0.00 WAT1 ATOM 3562 H1 TIP3 709 15.184 -9.861 -9.640 1.00 0.00 WAT1 ATOM 3563 H2 TIP3 709 15.008 -11.349 -9.991 1.00 0.00 WAT1 ATOM 3564 OH2 TIP3 710 10.062 0.282 -4.908 1.00 0.00 WAT1 ATOM 3565 H1 TIP3 710 9.505 -0.013 -4.157 1.00 0.00 WAT1 ATOM 3566 H2 TIP3 710 9.745 1.170 -5.101 1.00 0.00 WAT1 ATOM 3567 OH2 TIP3 711 16.345 -13.568 -7.635 1.00 0.00 WAT1 ATOM 3568 H1 TIP3 711 16.841 -13.191 -8.398 1.00 0.00 WAT1 ATOM 3569 H2 TIP3 711 15.882 -14.331 -8.019 1.00 0.00 WAT1 ATOM 3570 OH2 TIP3 712 5.329 -5.668 2.458 1.00 0.00 WAT1 ATOM 3571 H1 TIP3 712 5.285 -5.383 3.389 1.00 0.00 WAT1 ATOM 3572 H2 TIP3 712 4.656 -6.382 2.393 1.00 0.00 WAT1 ATOM 3573 OH2 TIP3 713 5.591 -2.865 -2.515 1.00 0.00 WAT1 ATOM 3574 H1 TIP3 713 5.760 -2.041 -2.017 1.00 0.00 WAT1 ATOM 3575 H2 TIP3 713 5.227 -2.555 -3.373 1.00 0.00 WAT1 ATOM 3576 OH2 TIP3 714 8.753 -3.367 2.218 1.00 0.00 WAT1 ATOM 3577 H1 TIP3 714 9.574 -3.588 1.731 1.00 0.00 WAT1 ATOM 3578 H2 TIP3 714 9.041 -3.293 3.145 1.00 0.00 WAT1 ATOM 3579 OH2 TIP3 715 14.591 -5.844 0.950 1.00 0.00 WAT1 ATOM 3580 H1 TIP3 715 14.737 -5.195 1.663 1.00 0.00 WAT1 ATOM 3581 H2 TIP3 715 15.173 -5.526 0.216 1.00 0.00 WAT1 ATOM 3582 OH2 TIP3 716 6.792 -7.159 0.668 1.00 0.00 WAT1 ATOM 3583 H1 TIP3 716 6.379 -6.528 1.295 1.00 0.00 WAT1 ATOM 3584 H2 TIP3 716 7.063 -7.898 1.219 1.00 0.00 WAT1 ATOM 3585 OH2 TIP3 717 9.264 -16.087 -5.082 1.00 0.00 WAT1 ATOM 3586 H1 TIP3 717 8.377 -16.502 -5.149 1.00 0.00 WAT1 ATOM 3587 H2 TIP3 717 9.812 -16.603 -5.681 1.00 0.00 WAT1 ATOM 3588 OH2 TIP3 718 13.102 -14.220 -1.670 1.00 0.00 WAT1 ATOM 3589 H1 TIP3 718 12.878 -13.435 -2.214 1.00 0.00 WAT1 ATOM 3590 H2 TIP3 718 14.045 -14.084 -1.432 1.00 0.00 WAT1 ATOM 3591 OH2 TIP3 719 12.727 -6.738 -12.217 1.00 0.00 WAT1 ATOM 3592 H1 TIP3 719 13.509 -6.283 -11.827 1.00 0.00 WAT1 ATOM 3593 H2 TIP3 719 13.083 -7.177 -13.022 1.00 0.00 WAT1 ATOM 3594 OH2 TIP3 720 11.522 -8.744 0.691 1.00 0.00 WAT1 ATOM 3595 H1 TIP3 720 12.482 -8.820 0.879 1.00 0.00 WAT1 ATOM 3596 H2 TIP3 720 11.098 -8.829 1.570 1.00 0.00 WAT1 ATOM 3597 OH2 TIP3 721 3.897 -12.001 -7.663 1.00 0.00 WAT1 ATOM 3598 H1 TIP3 721 3.021 -11.923 -8.064 1.00 0.00 WAT1 ATOM 3599 H2 TIP3 721 4.489 -12.217 -8.420 1.00 0.00 WAT1 ATOM 3600 OH2 TIP3 722 4.304 -4.930 -9.726 1.00 0.00 WAT1 ATOM 3601 H1 TIP3 722 4.086 -5.344 -10.577 1.00 0.00 WAT1 ATOM 3602 H2 TIP3 722 3.620 -4.233 -9.618 1.00 0.00 WAT1 ATOM 3603 OH2 TIP3 723 4.892 -10.021 -6.055 1.00 0.00 WAT1 ATOM 3604 H1 TIP3 723 5.049 -10.462 -5.200 1.00 0.00 WAT1 ATOM 3605 H2 TIP3 723 4.451 -10.703 -6.604 1.00 0.00 WAT1 ATOM 3606 OH2 TIP3 724 12.599 -11.780 -2.868 1.00 0.00 WAT1 ATOM 3607 H1 TIP3 724 12.282 -10.952 -2.453 1.00 0.00 WAT1 ATOM 3608 H2 TIP3 724 13.581 -11.709 -2.811 1.00 0.00 WAT1 ATOM 3609 OH2 TIP3 725 5.166 -4.573 5.083 1.00 0.00 WAT1 ATOM 3610 H1 TIP3 725 5.003 -3.690 4.730 1.00 0.00 WAT1 ATOM 3611 H2 TIP3 725 6.076 -4.519 5.449 1.00 0.00 WAT1 ATOM 3612 OH2 TIP3 726 6.498 -3.788 -8.444 1.00 0.00 WAT1 ATOM 3613 H1 TIP3 726 5.732 -4.174 -8.913 1.00 0.00 WAT1 ATOM 3614 H2 TIP3 726 6.644 -2.930 -8.891 1.00 0.00 WAT1 ATOM 3615 OH2 TIP3 727 13.152 -4.319 -4.460 1.00 0.00 WAT1 ATOM 3616 H1 TIP3 727 13.925 -4.075 -5.010 1.00 0.00 WAT1 ATOM 3617 H2 TIP3 727 13.491 -5.007 -3.865 1.00 0.00 WAT1 ATOM 3618 OH2 TIP3 728 11.428 -6.308 2.670 1.00 0.00 WAT1 ATOM 3619 H1 TIP3 728 12.121 -6.159 3.337 1.00 0.00 WAT1 ATOM 3620 H2 TIP3 728 11.024 -7.158 2.931 1.00 0.00 WAT1 ATOM 3621 OH2 TIP3 729 7.351 -1.149 -5.169 1.00 0.00 WAT1 ATOM 3622 H1 TIP3 729 7.537 -0.649 -4.346 1.00 0.00 WAT1 ATOM 3623 H2 TIP3 729 8.032 -1.857 -5.175 1.00 0.00 WAT1 ATOM 3624 OH2 TIP3 730 12.155 -5.820 -7.159 1.00 0.00 WAT1 ATOM 3625 H1 TIP3 730 11.550 -5.049 -7.233 1.00 0.00 WAT1 ATOM 3626 H2 TIP3 730 11.971 -6.342 -7.971 1.00 0.00 WAT1 ATOM 3627 OH2 TIP3 731 11.333 -5.388 6.597 1.00 0.00 WAT1 ATOM 3628 H1 TIP3 731 11.037 -4.490 6.387 1.00 0.00 WAT1 ATOM 3629 H2 TIP3 731 12.058 -5.557 5.955 1.00 0.00 WAT1 ATOM 3630 OH2 TIP3 732 11.203 -4.008 1.175 1.00 0.00 WAT1 ATOM 3631 H1 TIP3 732 11.241 -4.951 1.453 1.00 0.00 WAT1 ATOM 3632 H2 TIP3 732 11.671 -3.534 1.894 1.00 0.00 WAT1 ATOM 3633 OH2 TIP3 733 17.957 -8.467 -8.373 1.00 0.00 WAT1 ATOM 3634 H1 TIP3 733 18.778 -8.282 -7.869 1.00 0.00 WAT1 ATOM 3635 H2 TIP3 733 17.341 -7.762 -8.093 1.00 0.00 WAT1 ATOM 3636 OH2 TIP3 734 9.743 1.917 -1.630 1.00 0.00 WAT1 ATOM 3637 H1 TIP3 734 9.852 2.015 -0.678 1.00 0.00 WAT1 ATOM 3638 H2 TIP3 734 10.473 2.418 -2.006 1.00 0.00 WAT1 ATOM 3639 OH2 TIP3 735 3.409 -4.247 -5.364 1.00 0.00 WAT1 ATOM 3640 H1 TIP3 735 3.821 -3.363 -5.247 1.00 0.00 WAT1 ATOM 3641 H2 TIP3 735 2.459 -4.105 -5.123 1.00 0.00 WAT1 ATOM 3642 OH2 TIP3 736 8.965 -3.314 -4.707 1.00 0.00 WAT1 ATOM 3643 H1 TIP3 736 9.606 -4.054 -4.814 1.00 0.00 WAT1 ATOM 3644 H2 TIP3 736 8.113 -3.692 -5.030 1.00 0.00 WAT1 ATOM 3645 OH2 TIP3 737 8.198 0.000 -2.824 1.00 0.00 WAT1 ATOM 3646 H1 TIP3 737 8.716 0.700 -2.363 1.00 0.00 WAT1 ATOM 3647 H2 TIP3 737 7.544 -0.292 -2.153 1.00 0.00 WAT1 ATOM 3648 OH2 TIP3 738 14.573 -5.262 -10.865 1.00 0.00 WAT1 ATOM 3649 H1 TIP3 738 15.499 -5.308 -11.138 1.00 0.00 WAT1 ATOM 3650 H2 TIP3 738 14.613 -4.991 -9.920 1.00 0.00 WAT1 ATOM 3651 OH2 TIP3 739 9.882 -1.464 -7.151 1.00 0.00 WAT1 ATOM 3652 H1 TIP3 739 10.051 -0.995 -6.312 1.00 0.00 WAT1 ATOM 3653 H2 TIP3 739 9.357 -0.845 -7.665 1.00 0.00 WAT1 ATOM 3654 OH2 TIP3 740 3.580 -0.517 -8.972 1.00 0.00 WAT1 ATOM 3655 H1 TIP3 740 3.284 0.398 -8.998 1.00 0.00 WAT1 ATOM 3656 H2 TIP3 740 4.300 -0.518 -8.301 1.00 0.00 WAT1 ATOM 3657 OH2 TIP3 741 9.739 -11.778 -0.911 1.00 0.00 WAT1 ATOM 3658 H1 TIP3 741 10.007 -12.723 -0.961 1.00 0.00 WAT1 ATOM 3659 H2 TIP3 741 9.860 -11.546 0.015 1.00 0.00 WAT1 ATOM 3660 OH2 TIP3 742 15.612 -9.675 2.665 1.00 0.00 WAT1 ATOM 3661 H1 TIP3 742 15.011 -10.441 2.655 1.00 0.00 WAT1 ATOM 3662 H2 TIP3 742 15.213 -9.065 3.314 1.00 0.00 WAT1 ATOM 3663 OH2 TIP3 743 10.534 -5.472 -4.723 1.00 0.00 WAT1 ATOM 3664 H1 TIP3 743 11.496 -5.418 -4.860 1.00 0.00 WAT1 ATOM 3665 H2 TIP3 743 10.330 -6.423 -4.809 1.00 0.00 WAT1 ATOM 3666 OH2 TIP3 744 7.848 -1.962 -12.164 1.00 0.00 WAT1 ATOM 3667 H1 TIP3 744 8.648 -2.522 -12.155 1.00 0.00 WAT1 ATOM 3668 H2 TIP3 744 7.864 -1.538 -13.037 1.00 0.00 WAT1 ATOM 3669 OH2 TIP3 745 2.666 -2.677 8.280 1.00 0.00 WAT1 ATOM 3670 H1 TIP3 745 3.337 -2.334 8.881 1.00 0.00 WAT1 ATOM 3671 H2 TIP3 745 1.928 -2.064 8.372 1.00 0.00 WAT1 ATOM 3672 OH2 TIP3 746 8.109 -0.505 -14.995 1.00 0.00 WAT1 ATOM 3673 H1 TIP3 746 7.880 -1.092 -15.757 1.00 0.00 WAT1 ATOM 3674 H2 TIP3 746 7.715 0.343 -15.227 1.00 0.00 WAT1 ATOM 3675 OH2 TIP3 747 7.699 -4.353 6.226 1.00 0.00 WAT1 ATOM 3676 H1 TIP3 747 8.183 -5.197 6.367 1.00 0.00 WAT1 ATOM 3677 H2 TIP3 747 7.152 -4.255 7.040 1.00 0.00 WAT1 ATOM 3678 OH2 TIP3 748 12.297 -6.312 -0.499 1.00 0.00 WAT1 ATOM 3679 H1 TIP3 748 13.053 -5.978 0.037 1.00 0.00 WAT1 ATOM 3680 H2 TIP3 748 11.956 -7.069 0.020 1.00 0.00 WAT1 ATOM 3681 OH2 TIP3 749 5.910 -4.702 8.227 1.00 0.00 WAT1 ATOM 3682 H1 TIP3 749 4.972 -4.860 8.013 1.00 0.00 WAT1 ATOM 3683 H2 TIP3 749 6.163 -5.477 8.769 1.00 0.00 WAT1 ATOM 3684 OH2 TIP3 750 12.276 -3.299 3.580 1.00 0.00 WAT1 ATOM 3685 H1 TIP3 750 12.580 -4.134 3.985 1.00 0.00 WAT1 ATOM 3686 H2 TIP3 750 11.446 -3.089 4.060 1.00 0.00 WAT1 ATOM 3687 OH2 TIP3 751 15.480 -8.524 -10.817 1.00 0.00 WAT1 ATOM 3688 H1 TIP3 751 15.808 -7.721 -11.257 1.00 0.00 WAT1 ATOM 3689 H2 TIP3 751 15.402 -9.175 -11.548 1.00 0.00 WAT1 ATOM 3690 OH2 TIP3 752 14.220 -8.197 4.589 1.00 0.00 WAT1 ATOM 3691 H1 TIP3 752 13.583 -8.942 4.627 1.00 0.00 WAT1 ATOM 3692 H2 TIP3 752 14.821 -8.356 5.350 1.00 0.00 WAT1 ATOM 3693 OH2 TIP3 753 14.842 -3.447 2.508 1.00 0.00 WAT1 ATOM 3694 H1 TIP3 753 13.933 -3.210 2.788 1.00 0.00 WAT1 ATOM 3695 H2 TIP3 753 15.055 -2.802 1.820 1.00 0.00 WAT1 ATOM 3696 OH2 TIP3 754 10.586 -8.939 3.318 1.00 0.00 WAT1 ATOM 3697 H1 TIP3 754 9.735 -9.190 3.734 1.00 0.00 WAT1 ATOM 3698 H2 TIP3 754 11.254 -9.475 3.796 1.00 0.00 WAT1 ATOM 3699 OH2 TIP3 755 13.633 -11.627 2.058 1.00 0.00 WAT1 ATOM 3700 H1 TIP3 755 13.812 -11.568 1.110 1.00 0.00 WAT1 ATOM 3701 H2 TIP3 755 13.155 -12.487 2.161 1.00 0.00 WAT1 ATOM 3702 OH2 TIP3 756 12.674 -10.457 4.317 1.00 0.00 WAT1 ATOM 3703 H1 TIP3 756 12.927 -10.847 3.447 1.00 0.00 WAT1 ATOM 3704 H2 TIP3 756 12.736 -11.198 4.933 1.00 0.00 WAT1 ATOM 3705 OH2 TIP3 757 15.553 -3.687 -5.835 1.00 0.00 WAT1 ATOM 3706 H1 TIP3 757 15.492 -2.750 -5.525 1.00 0.00 WAT1 ATOM 3707 H2 TIP3 757 16.501 -3.863 -5.868 1.00 0.00 WAT1 ATOM 3708 OH2 TIP3 758 18.693 -5.918 -6.202 1.00 0.00 WAT1 ATOM 3709 H1 TIP3 758 19.268 -5.227 -5.806 1.00 0.00 WAT1 ATOM 3710 H2 TIP3 758 19.320 -6.627 -6.462 1.00 0.00 WAT1 ATOM 3711 OH2 TIP3 759 15.213 -1.118 -5.067 1.00 0.00 WAT1 ATOM 3712 H1 TIP3 759 14.270 -0.954 -4.822 1.00 0.00 WAT1 ATOM 3713 H2 TIP3 759 15.506 -0.282 -5.440 1.00 0.00 WAT1 ATOM 3714 OH2 TIP3 760 16.297 -6.592 -7.173 1.00 0.00 WAT1 ATOM 3715 H1 TIP3 760 17.145 -6.271 -6.781 1.00 0.00 WAT1 ATOM 3716 H2 TIP3 760 15.641 -6.480 -6.451 1.00 0.00 WAT1 ATOM 3717 OH2 TIP3 761 15.086 -12.531 -11.332 1.00 0.00 WAT1 ATOM 3718 H1 TIP3 761 15.325 -12.792 -12.245 1.00 0.00 WAT1 ATOM 3719 H2 TIP3 761 15.816 -12.897 -10.784 1.00 0.00 WAT1 ATOM 3720 OH2 TIP3 762 14.104 -6.897 -5.583 1.00 0.00 WAT1 ATOM 3721 H1 TIP3 762 13.374 -6.462 -6.082 1.00 0.00 WAT1 ATOM 3722 H2 TIP3 762 13.810 -6.859 -4.647 1.00 0.00 WAT1 ATOM 3723 OH2 TIP3 763 16.831 -15.245 -11.741 1.00 0.00 WAT1 ATOM 3724 H1 TIP3 763 16.374 -15.507 -10.909 1.00 0.00 WAT1 ATOM 3725 H2 TIP3 763 16.916 -16.080 -12.242 1.00 0.00 WAT1 ATOM 3726 OH2 TIP3 764 13.100 -6.824 -3.042 1.00 0.00 WAT1 ATOM 3727 H1 TIP3 764 12.972 -6.380 -2.177 1.00 0.00 WAT1 ATOM 3728 H2 TIP3 764 12.967 -7.773 -2.837 1.00 0.00 WAT1 ATOM 3729 OH2 TIP3 765 14.277 -8.585 0.528 1.00 0.00 WAT1 ATOM 3730 H1 TIP3 765 14.446 -7.623 0.637 1.00 0.00 WAT1 ATOM 3731 H2 TIP3 765 14.939 -9.009 1.115 1.00 0.00 WAT1 ATOM 3732 OH2 TIP3 766 17.417 -12.961 -10.000 1.00 0.00 WAT1 ATOM 3733 H1 TIP3 766 17.852 -13.622 -10.566 1.00 0.00 WAT1 ATOM 3734 H2 TIP3 766 17.979 -12.160 -10.082 1.00 0.00 WAT1 ATOM 3735 OH2 TIP3 767 -2.921 -17.827 -11.421 1.00 0.00 WAT1 ATOM 3736 H1 TIP3 767 -3.578 -17.320 -11.930 1.00 0.00 WAT1 ATOM 3737 H2 TIP3 767 -2.934 -18.718 -11.837 1.00 0.00 WAT1 ATOM 3738 OH2 TIP3 768 5.738 -13.040 -9.363 1.00 0.00 WAT1 ATOM 3739 H1 TIP3 768 5.975 -13.546 -8.566 1.00 0.00 WAT1 ATOM 3740 H2 TIP3 768 5.707 -13.702 -10.063 1.00 0.00 WAT1 ATOM 3741 OH2 TIP3 769 12.158 -13.865 2.474 1.00 0.00 WAT1 ATOM 3742 H1 TIP3 769 11.556 -14.404 1.948 1.00 0.00 WAT1 ATOM 3743 H2 TIP3 769 12.284 -14.382 3.297 1.00 0.00 WAT1 ATOM 3744 OH2 TIP3 770 7.887 -8.154 12.781 1.00 0.00 WAT1 ATOM 3745 H1 TIP3 770 7.168 -8.068 13.446 1.00 0.00 WAT1 ATOM 3746 H2 TIP3 770 8.341 -7.304 12.812 1.00 0.00 WAT1 ATOM 3747 OH2 TIP3 771 13.538 -11.202 11.370 1.00 0.00 WAT1 ATOM 3748 H1 TIP3 771 14.388 -11.197 10.882 1.00 0.00 WAT1 ATOM 3749 H2 TIP3 771 13.624 -11.958 11.991 1.00 0.00 WAT1 ATOM 3750 OH2 TIP3 772 5.211 -9.458 12.128 1.00 0.00 WAT1 ATOM 3751 H1 TIP3 772 6.106 -9.745 11.898 1.00 0.00 WAT1 ATOM 3752 H2 TIP3 772 5.299 -9.114 13.045 1.00 0.00 WAT1 ATOM 3753 OH2 TIP3 773 16.010 -7.011 10.960 1.00 0.00 WAT1 ATOM 3754 H1 TIP3 773 15.296 -7.044 11.611 1.00 0.00 WAT1 ATOM 3755 H2 TIP3 773 16.329 -6.100 11.001 1.00 0.00 WAT1 ATOM 3756 OH2 TIP3 774 7.883 -13.216 12.307 1.00 0.00 WAT1 ATOM 3757 H1 TIP3 774 8.183 -12.454 12.845 1.00 0.00 WAT1 ATOM 3758 H2 TIP3 774 7.621 -12.813 11.453 1.00 0.00 WAT1 ATOM 3759 OH2 TIP3 775 8.802 -0.619 5.544 1.00 0.00 WAT1 ATOM 3760 H1 TIP3 775 8.352 -0.587 6.396 1.00 0.00 WAT1 ATOM 3761 H2 TIP3 775 8.822 0.297 5.250 1.00 0.00 WAT1 ATOM 3762 OH2 TIP3 776 13.289 -5.672 4.719 1.00 0.00 WAT1 ATOM 3763 H1 TIP3 776 14.087 -5.136 4.950 1.00 0.00 WAT1 ATOM 3764 H2 TIP3 776 13.645 -6.587 4.604 1.00 0.00 WAT1 ATOM 3765 OH2 TIP3 777 15.536 -4.191 5.070 1.00 0.00 WAT1 ATOM 3766 H1 TIP3 777 16.429 -3.931 5.309 1.00 0.00 WAT1 ATOM 3767 H2 TIP3 777 15.437 -3.890 4.141 1.00 0.00 WAT1 ATOM 3768 OH2 TIP3 778 17.386 -9.366 10.546 1.00 0.00 WAT1 ATOM 3769 H1 TIP3 778 18.259 -9.157 10.892 1.00 0.00 WAT1 ATOM 3770 H2 TIP3 778 16.885 -8.528 10.637 1.00 0.00 WAT1 ATOM 3771 OH2 TIP3 779 7.024 -10.545 15.638 1.00 0.00 WAT1 ATOM 3772 H1 TIP3 779 7.644 -10.756 14.912 1.00 0.00 WAT1 ATOM 3773 H2 TIP3 779 7.115 -11.283 16.250 1.00 0.00 WAT1 ATOM 3774 OH2 TIP3 780 5.332 -9.089 7.803 1.00 0.00 WAT1 ATOM 3775 H1 TIP3 780 5.760 -8.781 6.981 1.00 0.00 WAT1 ATOM 3776 H2 TIP3 780 5.620 -8.447 8.473 1.00 0.00 WAT1 ATOM 3777 OH2 TIP3 781 14.529 -7.833 8.745 1.00 0.00 WAT1 ATOM 3778 H1 TIP3 781 15.079 -8.111 7.984 1.00 0.00 WAT1 ATOM 3779 H2 TIP3 781 15.176 -7.575 9.426 1.00 0.00 WAT1 ATOM 3780 OH2 TIP3 782 11.946 -7.049 8.776 1.00 0.00 WAT1 ATOM 3781 H1 TIP3 782 12.900 -7.289 8.715 1.00 0.00 WAT1 ATOM 3782 H2 TIP3 782 11.834 -6.343 8.106 1.00 0.00 WAT1 ATOM 3783 OH2 TIP3 783 2.216 -7.461 8.208 1.00 0.00 WAT1 ATOM 3784 H1 TIP3 783 2.818 -7.679 8.945 1.00 0.00 WAT1 ATOM 3785 H2 TIP3 783 2.621 -6.663 7.797 1.00 0.00 WAT1 ATOM 3786 OH2 TIP3 784 8.683 -10.739 13.345 1.00 0.00 WAT1 ATOM 3787 H1 TIP3 784 9.635 -10.806 13.203 1.00 0.00 WAT1 ATOM 3788 H2 TIP3 784 8.462 -9.824 13.061 1.00 0.00 WAT1 ATOM 3789 OH2 TIP3 785 6.193 -7.072 9.600 1.00 0.00 WAT1 ATOM 3790 H1 TIP3 785 5.314 -7.206 10.015 1.00 0.00 WAT1 ATOM 3791 H2 TIP3 785 6.819 -7.420 10.248 1.00 0.00 WAT1 ATOM 3792 OH2 TIP3 786 8.133 -9.718 4.541 1.00 0.00 WAT1 ATOM 3793 H1 TIP3 786 7.527 -10.251 4.012 1.00 0.00 WAT1 ATOM 3794 H2 TIP3 786 7.555 -9.031 4.947 1.00 0.00 WAT1 ATOM 3795 OH2 TIP3 787 13.758 -13.669 12.504 1.00 0.00 WAT1 ATOM 3796 H1 TIP3 787 14.374 -14.127 13.087 1.00 0.00 WAT1 ATOM 3797 H2 TIP3 787 12.923 -14.186 12.583 1.00 0.00 WAT1 ATOM 3798 OH2 TIP3 788 6.607 -7.760 5.722 1.00 0.00 WAT1 ATOM 3799 H1 TIP3 788 6.013 -7.047 5.450 1.00 0.00 WAT1 ATOM 3800 H2 TIP3 788 7.394 -7.293 6.080 1.00 0.00 WAT1 ATOM 3801 OH2 TIP3 789 9.703 -8.534 8.618 1.00 0.00 WAT1 ATOM 3802 H1 TIP3 789 9.741 -9.106 9.401 1.00 0.00 WAT1 ATOM 3803 H2 TIP3 789 10.511 -7.970 8.699 1.00 0.00 WAT1 ATOM 3804 OH2 TIP3 790 3.438 -11.140 10.815 1.00 0.00 WAT1 ATOM 3805 H1 TIP3 790 3.998 -10.684 11.471 1.00 0.00 WAT1 ATOM 3806 H2 TIP3 790 3.570 -10.639 10.003 1.00 0.00 WAT1 ATOM 3807 OH2 TIP3 791 10.011 -10.223 6.494 1.00 0.00 WAT1 ATOM 3808 H1 TIP3 791 9.791 -9.575 7.199 1.00 0.00 WAT1 ATOM 3809 H2 TIP3 791 9.334 -10.057 5.800 1.00 0.00 WAT1 ATOM 3810 OH2 TIP3 792 15.923 -8.928 6.603 1.00 0.00 WAT1 ATOM 3811 H1 TIP3 792 16.826 -9.091 6.301 1.00 0.00 WAT1 ATOM 3812 H2 TIP3 792 15.577 -9.824 6.823 1.00 0.00 WAT1 ATOM 3813 OH2 TIP3 793 3.335 -5.145 7.231 1.00 0.00 WAT1 ATOM 3814 H1 TIP3 793 3.745 -4.964 6.363 1.00 0.00 WAT1 ATOM 3815 H2 TIP3 793 2.965 -4.276 7.509 1.00 0.00 WAT1 ATOM 3816 OH2 TIP3 794 0.069 -10.840 4.114 1.00 0.00 WAT1 ATOM 3817 H1 TIP3 794 -0.421 -11.398 4.755 1.00 0.00 WAT1 ATOM 3818 H2 TIP3 794 -0.226 -9.937 4.317 1.00 0.00 WAT1 ATOM 3819 OH2 TIP3 795 5.840 -8.368 14.584 1.00 0.00 WAT1 ATOM 3820 H1 TIP3 795 5.400 -7.855 15.271 1.00 0.00 WAT1 ATOM 3821 H2 TIP3 795 6.202 -9.155 15.065 1.00 0.00 WAT1 ATOM 3822 OH2 TIP3 796 8.922 -6.708 6.774 1.00 0.00 WAT1 ATOM 3823 H1 TIP3 796 9.830 -6.350 6.649 1.00 0.00 WAT1 ATOM 3824 H2 TIP3 796 9.017 -7.340 7.521 1.00 0.00 WAT1 ATOM 3825 OH2 TIP3 797 14.794 -11.307 7.378 1.00 0.00 WAT1 ATOM 3826 H1 TIP3 797 15.222 -11.453 8.250 1.00 0.00 WAT1 ATOM 3827 H2 TIP3 797 13.865 -11.079 7.605 1.00 0.00 WAT1 ATOM 3828 OH2 TIP3 798 15.858 -11.501 9.902 1.00 0.00 WAT1 ATOM 3829 H1 TIP3 798 16.436 -10.718 10.084 1.00 0.00 WAT1 ATOM 3830 H2 TIP3 798 16.415 -12.260 10.113 1.00 0.00 WAT1 ATOM 3831 OH2 TIP3 799 12.876 -13.270 9.409 1.00 0.00 WAT1 ATOM 3832 H1 TIP3 799 13.158 -12.966 10.290 1.00 0.00 WAT1 ATOM 3833 H2 TIP3 799 12.595 -12.450 8.955 1.00 0.00 WAT1 ATOM 3834 OH2 TIP3 800 2.733 -11.707 3.780 1.00 0.00 WAT1 ATOM 3835 H1 TIP3 800 1.850 -11.312 3.928 1.00 0.00 WAT1 ATOM 3836 H2 TIP3 800 3.156 -11.680 4.660 1.00 0.00 WAT1 ATOM 3837 OH2 TIP3 801 11.601 -9.577 10.409 1.00 0.00 WAT1 ATOM 3838 H1 TIP3 801 11.989 -8.692 10.323 1.00 0.00 WAT1 ATOM 3839 H2 TIP3 801 12.291 -10.100 10.884 1.00 0.00 WAT1 ATOM 3840 OH2 TIP3 802 4.665 -15.824 10.917 1.00 0.00 WAT1 ATOM 3841 H1 TIP3 802 4.656 -15.182 11.649 1.00 0.00 WAT1 ATOM 3842 H2 TIP3 802 3.869 -16.385 11.089 1.00 0.00 WAT1 ATOM 3843 OH2 TIP3 803 11.517 -15.236 12.594 1.00 0.00 WAT1 ATOM 3844 H1 TIP3 803 10.786 -15.299 11.944 1.00 0.00 WAT1 ATOM 3845 H2 TIP3 803 11.073 -15.379 13.459 1.00 0.00 WAT1 ATOM 3846 OH2 TIP3 804 12.204 -10.908 8.086 1.00 0.00 WAT1 ATOM 3847 H1 TIP3 804 11.992 -10.380 8.885 1.00 0.00 WAT1 ATOM 3848 H2 TIP3 804 11.519 -10.641 7.438 1.00 0.00 WAT1 ATOM 3849 OH2 TIP3 805 22.504 -40.608 -37.728 1.00 0.00 WAT1 ATOM 3850 H1 TIP3 805 23.278 -40.207 -38.176 1.00 0.00 WAT1 ATOM 3851 H2 TIP3 805 21.999 -39.841 -37.397 1.00 0.00 WAT1 ATOM 3852 OH2 TIP3 806 22.283 -35.044 -37.882 1.00 0.00 WAT1 ATOM 3853 H1 TIP3 806 22.051 -34.117 -37.646 1.00 0.00 WAT1 ATOM 3854 H2 TIP3 806 21.425 -35.463 -38.080 1.00 0.00 WAT1 ATOM 3855 OH2 TIP3 807 24.552 -38.994 -38.625 1.00 0.00 WAT1 ATOM 3856 H1 TIP3 807 25.461 -39.097 -38.916 1.00 0.00 WAT1 ATOM 3857 H2 TIP3 807 24.496 -38.058 -38.338 1.00 0.00 WAT1 ATOM 3858 OH2 TIP3 808 23.577 -37.412 -35.343 1.00 0.00 WAT1 ATOM 3859 H1 TIP3 808 24.039 -37.253 -36.191 1.00 0.00 WAT1 ATOM 3860 H2 TIP3 808 23.766 -36.602 -34.815 1.00 0.00 WAT1 ATOM 3861 OH2 TIP3 809 22.010 -41.575 -35.208 1.00 0.00 WAT1 ATOM 3862 H1 TIP3 809 22.868 -41.424 -34.802 1.00 0.00 WAT1 ATOM 3863 H2 TIP3 809 22.168 -41.422 -36.167 1.00 0.00 WAT1 ATOM 3864 OH2 TIP3 810 21.500 -35.356 -32.994 1.00 0.00 WAT1 ATOM 3865 H1 TIP3 810 21.837 -35.871 -32.230 1.00 0.00 WAT1 ATOM 3866 H2 TIP3 810 22.308 -35.149 -33.513 1.00 0.00 WAT1 ATOM 3867 OH2 TIP3 811 21.311 -38.559 -36.362 1.00 0.00 WAT1 ATOM 3868 H1 TIP3 811 20.851 -38.779 -35.523 1.00 0.00 WAT1 ATOM 3869 H2 TIP3 811 22.160 -38.155 -36.068 1.00 0.00 WAT1 ATOM 3870 OH2 TIP3 812 20.046 -36.787 -37.990 1.00 0.00 WAT1 ATOM 3871 H1 TIP3 812 19.579 -37.310 -38.677 1.00 0.00 WAT1 ATOM 3872 H2 TIP3 812 20.514 -37.465 -37.452 1.00 0.00 WAT1 ATOM 3873 OH2 TIP3 813 26.366 -34.236 -40.409 1.00 0.00 WAT1 ATOM 3874 H1 TIP3 813 26.749 -34.290 -39.508 1.00 0.00 WAT1 ATOM 3875 H2 TIP3 813 26.304 -35.150 -40.694 1.00 0.00 WAT1 ATOM 3876 OH2 TIP3 814 19.738 -36.198 -34.876 1.00 0.00 WAT1 ATOM 3877 H1 TIP3 814 20.368 -35.852 -34.201 1.00 0.00 WAT1 ATOM 3878 H2 TIP3 814 20.184 -36.040 -35.721 1.00 0.00 WAT1 ATOM 3879 OH2 TIP3 815 19.999 -38.795 -33.951 1.00 0.00 WAT1 ATOM 3880 H1 TIP3 815 19.191 -39.344 -34.003 1.00 0.00 WAT1 ATOM 3881 H2 TIP3 815 19.679 -37.884 -34.117 1.00 0.00 WAT1 ATOM 3882 OH2 TIP3 816 19.632 -42.145 -34.046 1.00 0.00 WAT1 ATOM 3883 H1 TIP3 816 19.418 -42.869 -34.639 1.00 0.00 WAT1 ATOM 3884 H2 TIP3 816 20.501 -41.815 -34.374 1.00 0.00 WAT1 ATOM 3885 OH2 TIP3 817 26.744 -32.318 -36.416 1.00 0.00 WAT1 ATOM 3886 H1 TIP3 817 26.936 -31.421 -36.130 1.00 0.00 WAT1 ATOM 3887 H2 TIP3 817 25.827 -32.485 -36.088 1.00 0.00 WAT1 ATOM 3888 OH2 TIP3 818 23.865 -34.217 -31.374 1.00 0.00 WAT1 ATOM 3889 H1 TIP3 818 23.795 -33.705 -30.542 1.00 0.00 WAT1 ATOM 3890 H2 TIP3 818 23.592 -35.125 -31.119 1.00 0.00 WAT1 ATOM 3891 OH2 TIP3 819 18.671 -41.761 -31.515 1.00 0.00 WAT1 ATOM 3892 H1 TIP3 819 18.894 -41.869 -32.468 1.00 0.00 WAT1 ATOM 3893 H2 TIP3 819 19.487 -41.978 -31.059 1.00 0.00 WAT1 ATOM 3894 OH2 TIP3 820 18.241 -34.837 -37.576 1.00 0.00 WAT1 ATOM 3895 H1 TIP3 820 18.891 -34.087 -37.604 1.00 0.00 WAT1 ATOM 3896 H2 TIP3 820 18.808 -35.639 -37.580 1.00 0.00 WAT1 ATOM 3897 OH2 TIP3 821 23.074 -31.884 -39.607 1.00 0.00 WAT1 ATOM 3898 H1 TIP3 821 22.646 -32.645 -40.016 1.00 0.00 WAT1 ATOM 3899 H2 TIP3 821 22.813 -31.948 -38.652 1.00 0.00 WAT1 ATOM 3900 OH2 TIP3 822 18.577 -39.818 -37.261 1.00 0.00 WAT1 ATOM 3901 H1 TIP3 822 18.068 -39.747 -36.425 1.00 0.00 WAT1 ATOM 3902 H2 TIP3 822 19.474 -40.030 -36.973 1.00 0.00 WAT1 ATOM 3903 OH2 TIP3 823 24.002 -35.002 -34.104 1.00 0.00 WAT1 ATOM 3904 H1 TIP3 823 24.193 -34.240 -34.696 1.00 0.00 WAT1 ATOM 3905 H2 TIP3 823 24.284 -34.694 -33.220 1.00 0.00 WAT1 ATOM 3906 OH2 TIP3 824 22.814 -29.397 -40.681 1.00 0.00 WAT1 ATOM 3907 H1 TIP3 824 22.931 -30.289 -40.281 1.00 0.00 WAT1 ATOM 3908 H2 TIP3 824 21.892 -29.153 -40.450 1.00 0.00 WAT1 ATOM 3909 OH2 TIP3 825 24.642 -36.384 -37.736 1.00 0.00 WAT1 ATOM 3910 H1 TIP3 825 23.813 -35.851 -37.847 1.00 0.00 WAT1 ATOM 3911 H2 TIP3 825 25.347 -35.718 -37.691 1.00 0.00 WAT1 ATOM 3912 OH2 TIP3 826 27.337 -34.546 -37.863 1.00 0.00 WAT1 ATOM 3913 H1 TIP3 826 27.109 -33.711 -37.387 1.00 0.00 WAT1 ATOM 3914 H2 TIP3 826 28.202 -34.786 -37.513 1.00 0.00 WAT1 ATOM 3915 OH2 TIP3 827 22.574 -35.372 -19.441 1.00 0.00 WAT1 ATOM 3916 H1 TIP3 827 23.359 -35.763 -18.994 1.00 0.00 WAT1 ATOM 3917 H2 TIP3 827 22.027 -36.144 -19.676 1.00 0.00 WAT1 ATOM 3918 OH2 TIP3 828 20.032 -40.168 -18.450 1.00 0.00 WAT1 ATOM 3919 H1 TIP3 828 20.202 -41.117 -18.415 1.00 0.00 WAT1 ATOM 3920 H2 TIP3 828 19.266 -40.085 -19.075 1.00 0.00 WAT1 ATOM 3921 OH2 TIP3 829 25.315 -33.796 -17.271 1.00 0.00 WAT1 ATOM 3922 H1 TIP3 829 24.926 -33.615 -18.159 1.00 0.00 WAT1 ATOM 3923 H2 TIP3 829 25.666 -32.927 -16.991 1.00 0.00 WAT1 ATOM 3924 OH2 TIP3 830 19.217 -38.761 -10.325 1.00 0.00 WAT1 ATOM 3925 H1 TIP3 830 20.044 -38.552 -10.812 1.00 0.00 WAT1 ATOM 3926 H2 TIP3 830 18.622 -39.131 -11.010 1.00 0.00 WAT1 ATOM 3927 OH2 TIP3 831 22.404 -31.777 -17.250 1.00 0.00 WAT1 ATOM 3928 H1 TIP3 831 23.294 -32.063 -17.494 1.00 0.00 WAT1 ATOM 3929 H2 TIP3 831 21.823 -32.221 -17.906 1.00 0.00 WAT1 ATOM 3930 OH2 TIP3 832 20.137 -37.332 -21.642 1.00 0.00 WAT1 ATOM 3931 H1 TIP3 832 20.492 -37.573 -20.761 1.00 0.00 WAT1 ATOM 3932 H2 TIP3 832 19.267 -37.778 -21.682 1.00 0.00 WAT1 ATOM 3933 OH2 TIP3 833 20.546 -32.159 -22.509 1.00 0.00 WAT1 ATOM 3934 H1 TIP3 833 19.993 -32.786 -22.017 1.00 0.00 WAT1 ATOM 3935 H2 TIP3 833 21.291 -32.704 -22.835 1.00 0.00 WAT1 ATOM 3936 OH2 TIP3 834 22.038 -39.108 -13.841 1.00 0.00 WAT1 ATOM 3937 H1 TIP3 834 22.951 -39.045 -14.147 1.00 0.00 WAT1 ATOM 3938 H2 TIP3 834 21.501 -39.059 -14.670 1.00 0.00 WAT1 ATOM 3939 OH2 TIP3 835 21.325 -37.674 -11.665 1.00 0.00 WAT1 ATOM 3940 H1 TIP3 835 21.582 -38.255 -12.417 1.00 0.00 WAT1 ATOM 3941 H2 TIP3 835 21.195 -36.787 -12.085 1.00 0.00 WAT1 ATOM 3942 OH2 TIP3 836 20.406 -39.002 -15.988 1.00 0.00 WAT1 ATOM 3943 H1 TIP3 836 19.500 -38.780 -15.696 1.00 0.00 WAT1 ATOM 3944 H2 TIP3 836 20.279 -39.406 -16.871 1.00 0.00 WAT1 ATOM 3945 OH2 TIP3 837 21.443 -37.930 -19.213 1.00 0.00 WAT1 ATOM 3946 H1 TIP3 837 22.052 -37.810 -18.472 1.00 0.00 WAT1 ATOM 3947 H2 TIP3 837 20.970 -38.764 -19.000 1.00 0.00 WAT1 ATOM 3948 OH2 TIP3 838 22.733 -36.657 -30.889 1.00 0.00 WAT1 ATOM 3949 H1 TIP3 838 22.796 -37.445 -31.483 1.00 0.00 WAT1 ATOM 3950 H2 TIP3 838 22.239 -36.975 -30.124 1.00 0.00 WAT1 ATOM 3951 OH2 TIP3 839 20.602 -32.102 -25.433 1.00 0.00 WAT1 ATOM 3952 H1 TIP3 839 20.369 -31.931 -24.501 1.00 0.00 WAT1 ATOM 3953 H2 TIP3 839 20.010 -31.518 -25.937 1.00 0.00 WAT1 ATOM 3954 OH2 TIP3 840 22.350 -32.877 -13.649 1.00 0.00 WAT1 ATOM 3955 H1 TIP3 840 22.040 -32.376 -14.415 1.00 0.00 WAT1 ATOM 3956 H2 TIP3 840 23.073 -33.446 -14.013 1.00 0.00 WAT1 ATOM 3957 OH2 TIP3 841 24.022 -37.330 -11.163 1.00 0.00 WAT1 ATOM 3958 H1 TIP3 841 23.061 -37.302 -11.322 1.00 0.00 WAT1 ATOM 3959 H2 TIP3 841 24.112 -37.891 -10.374 1.00 0.00 WAT1 ATOM 3960 OH2 TIP3 842 22.531 -38.467 -32.888 1.00 0.00 WAT1 ATOM 3961 H1 TIP3 842 21.627 -38.711 -33.179 1.00 0.00 WAT1 ATOM 3962 H2 TIP3 842 23.007 -38.283 -33.719 1.00 0.00 WAT1 ATOM 3963 OH2 TIP3 843 20.441 -40.732 -12.318 1.00 0.00 WAT1 ATOM 3964 H1 TIP3 843 21.042 -40.270 -12.939 1.00 0.00 WAT1 ATOM 3965 H2 TIP3 843 20.965 -40.813 -11.498 1.00 0.00 WAT1 ATOM 3966 OH2 TIP3 844 20.437 -34.821 -28.846 1.00 0.00 WAT1 ATOM 3967 H1 TIP3 844 19.594 -34.533 -28.432 1.00 0.00 WAT1 ATOM 3968 H2 TIP3 844 21.064 -34.836 -28.116 1.00 0.00 WAT1 ATOM 3969 OH2 TIP3 845 17.312 -34.235 -25.075 1.00 0.00 WAT1 ATOM 3970 H1 TIP3 845 18.040 -34.892 -25.029 1.00 0.00 WAT1 ATOM 3971 H2 TIP3 845 16.573 -34.661 -24.572 1.00 0.00 WAT1 ATOM 3972 OH2 TIP3 846 21.518 -36.525 -23.809 1.00 0.00 WAT1 ATOM 3973 H1 TIP3 846 21.068 -36.769 -22.964 1.00 0.00 WAT1 ATOM 3974 H2 TIP3 846 22.277 -37.118 -23.851 1.00 0.00 WAT1 ATOM 3975 OH2 TIP3 847 24.758 -36.381 -18.121 1.00 0.00 WAT1 ATOM 3976 H1 TIP3 847 25.519 -36.958 -18.008 1.00 0.00 WAT1 ATOM 3977 H2 TIP3 847 25.029 -35.539 -17.696 1.00 0.00 WAT1 ATOM 3978 OH2 TIP3 848 21.037 -33.091 -19.193 1.00 0.00 WAT1 ATOM 3979 H1 TIP3 848 20.232 -33.354 -19.694 1.00 0.00 WAT1 ATOM 3980 H2 TIP3 848 21.602 -33.893 -19.218 1.00 0.00 WAT1 ATOM 3981 OH2 TIP3 849 23.299 -29.654 -20.749 1.00 0.00 WAT1 ATOM 3982 H1 TIP3 849 22.362 -29.869 -20.560 1.00 0.00 WAT1 ATOM 3983 H2 TIP3 849 23.607 -30.403 -21.305 1.00 0.00 WAT1 ATOM 3984 OH2 TIP3 850 22.425 -33.928 -23.501 1.00 0.00 WAT1 ATOM 3985 H1 TIP3 850 22.081 -34.841 -23.598 1.00 0.00 WAT1 ATOM 3986 H2 TIP3 850 22.700 -33.681 -24.408 1.00 0.00 WAT1 ATOM 3987 OH2 TIP3 851 24.122 -33.101 -19.571 1.00 0.00 WAT1 ATOM 3988 H1 TIP3 851 23.537 -33.873 -19.710 1.00 0.00 WAT1 ATOM 3989 H2 TIP3 851 24.118 -32.640 -20.439 1.00 0.00 WAT1 ATOM 3990 OH2 TIP3 852 23.025 -33.074 -26.154 1.00 0.00 WAT1 ATOM 3991 H1 TIP3 852 22.135 -32.674 -25.992 1.00 0.00 WAT1 ATOM 3992 H2 TIP3 852 23.121 -33.058 -27.121 1.00 0.00 WAT1 ATOM 3993 OH2 TIP3 853 20.292 -33.532 -31.238 1.00 0.00 WAT1 ATOM 3994 H1 TIP3 853 20.683 -34.093 -31.941 1.00 0.00 WAT1 ATOM 3995 H2 TIP3 853 20.373 -34.081 -30.422 1.00 0.00 WAT1 ATOM 3996 OH2 TIP3 854 23.510 -35.134 -5.468 1.00 0.00 WAT1 ATOM 3997 H1 TIP3 854 23.509 -35.946 -4.927 1.00 0.00 WAT1 ATOM 3998 H2 TIP3 854 23.411 -35.463 -6.383 1.00 0.00 WAT1 ATOM 3999 OH2 TIP3 855 17.881 -46.474 -5.513 1.00 0.00 WAT1 ATOM 4000 H1 TIP3 855 17.972 -47.013 -4.723 1.00 0.00 WAT1 ATOM 4001 H2 TIP3 855 18.797 -46.163 -5.699 1.00 0.00 WAT1 ATOM 4002 OH2 TIP3 856 20.360 -45.600 -6.128 1.00 0.00 WAT1 ATOM 4003 H1 TIP3 856 20.246 -45.647 -7.108 1.00 0.00 WAT1 ATOM 4004 H2 TIP3 856 21.312 -45.558 -6.005 1.00 0.00 WAT1 ATOM 4005 OH2 TIP3 857 24.353 -36.285 1.079 1.00 0.00 WAT1 ATOM 4006 H1 TIP3 857 24.932 -35.768 0.473 1.00 0.00 WAT1 ATOM 4007 H2 TIP3 857 24.786 -36.194 1.954 1.00 0.00 WAT1 ATOM 4008 OH2 TIP3 858 23.401 -37.931 -5.302 1.00 0.00 WAT1 ATOM 4009 H1 TIP3 858 24.369 -38.098 -5.366 1.00 0.00 WAT1 ATOM 4010 H2 TIP3 858 23.163 -37.577 -6.183 1.00 0.00 WAT1 ATOM 4011 OH2 TIP3 859 27.968 -37.669 2.321 1.00 0.00 WAT1 ATOM 4012 H1 TIP3 859 28.715 -37.937 1.776 1.00 0.00 WAT1 ATOM 4013 H2 TIP3 859 27.194 -38.112 1.900 1.00 0.00 WAT1 ATOM 4014 OH2 TIP3 860 25.933 -36.036 3.327 1.00 0.00 WAT1 ATOM 4015 H1 TIP3 860 26.404 -35.282 3.743 1.00 0.00 WAT1 ATOM 4016 H2 TIP3 860 26.652 -36.649 3.061 1.00 0.00 WAT1 ATOM 4017 OH2 TIP3 861 22.836 -33.236 2.213 1.00 0.00 WAT1 ATOM 4018 H1 TIP3 861 23.266 -33.550 3.030 1.00 0.00 WAT1 ATOM 4019 H2 TIP3 861 22.436 -34.041 1.831 1.00 0.00 WAT1 ATOM 4020 OH2 TIP3 862 21.908 -41.117 -9.979 1.00 0.00 WAT1 ATOM 4021 H1 TIP3 862 21.177 -41.157 -9.323 1.00 0.00 WAT1 ATOM 4022 H2 TIP3 862 22.050 -42.042 -10.229 1.00 0.00 WAT1 ATOM 4023 OH2 TIP3 863 19.603 -39.005 -2.390 1.00 0.00 WAT1 ATOM 4024 H1 TIP3 863 20.178 -39.055 -3.175 1.00 0.00 WAT1 ATOM 4025 H2 TIP3 863 18.753 -39.333 -2.699 1.00 0.00 WAT1 ATOM 4026 OH2 TIP3 864 29.218 -35.275 3.144 1.00 0.00 WAT1 ATOM 4027 H1 TIP3 864 28.943 -36.211 3.110 1.00 0.00 WAT1 ATOM 4028 H2 TIP3 864 29.815 -35.226 3.929 1.00 0.00 WAT1 ATOM 4029 OH2 TIP3 865 27.265 -31.818 -7.573 1.00 0.00 WAT1 ATOM 4030 H1 TIP3 865 27.153 -31.607 -6.617 1.00 0.00 WAT1 ATOM 4031 H2 TIP3 865 27.309 -32.776 -7.599 1.00 0.00 WAT1 ATOM 4032 OH2 TIP3 866 21.688 -35.491 1.128 1.00 0.00 WAT1 ATOM 4033 H1 TIP3 866 22.581 -35.892 1.051 1.00 0.00 WAT1 ATOM 4034 H2 TIP3 866 21.085 -36.186 0.774 1.00 0.00 WAT1 ATOM 4035 OH2 TIP3 867 19.562 -38.597 -7.703 1.00 0.00 WAT1 ATOM 4036 H1 TIP3 867 19.435 -38.702 -8.682 1.00 0.00 WAT1 ATOM 4037 H2 TIP3 867 19.811 -37.659 -7.601 1.00 0.00 WAT1 ATOM 4038 OH2 TIP3 868 22.674 -36.727 -7.632 1.00 0.00 WAT1 ATOM 4039 H1 TIP3 868 21.812 -36.464 -8.015 1.00 0.00 WAT1 ATOM 4040 H2 TIP3 868 22.985 -37.452 -8.221 1.00 0.00 WAT1 ATOM 4041 OH2 TIP3 869 19.949 -45.717 -8.799 1.00 0.00 WAT1 ATOM 4042 H1 TIP3 869 19.997 -44.927 -9.379 1.00 0.00 WAT1 ATOM 4043 H2 TIP3 869 19.180 -46.213 -9.133 1.00 0.00 WAT1 ATOM 4044 OH2 TIP3 870 25.817 -38.636 0.964 1.00 0.00 WAT1 ATOM 4045 H1 TIP3 870 25.302 -39.354 0.584 1.00 0.00 WAT1 ATOM 4046 H2 TIP3 870 25.221 -37.860 0.911 1.00 0.00 WAT1 ATOM 4047 OH2 TIP3 871 28.796 -34.431 0.578 1.00 0.00 WAT1 ATOM 4048 H1 TIP3 871 29.482 -33.734 0.450 1.00 0.00 WAT1 ATOM 4049 H2 TIP3 871 28.948 -34.748 1.496 1.00 0.00 WAT1 ATOM 4050 OH2 TIP3 872 24.107 -34.519 -14.804 1.00 0.00 WAT1 ATOM 4051 H1 TIP3 872 24.599 -34.390 -15.637 1.00 0.00 WAT1 ATOM 4052 H2 TIP3 872 24.643 -35.174 -14.303 1.00 0.00 WAT1 ATOM 4053 OH2 TIP3 873 26.103 -38.133 -5.845 1.00 0.00 WAT1 ATOM 4054 H1 TIP3 873 26.606 -38.824 -5.407 1.00 0.00 WAT1 ATOM 4055 H2 TIP3 873 26.784 -37.606 -6.321 1.00 0.00 WAT1 ATOM 4056 OH2 TIP3 874 23.411 -38.989 -9.009 1.00 0.00 WAT1 ATOM 4057 H1 TIP3 874 22.815 -39.634 -9.453 1.00 0.00 WAT1 ATOM 4058 H2 TIP3 874 24.111 -39.536 -8.632 1.00 0.00 WAT1 ATOM 4059 OH2 TIP3 875 28.299 -36.832 -6.913 1.00 0.00 WAT1 ATOM 4060 H1 TIP3 875 28.850 -37.005 -7.708 1.00 0.00 WAT1 ATOM 4061 H2 TIP3 875 28.749 -36.109 -6.469 1.00 0.00 WAT1 ATOM 4062 OH2 TIP3 876 26.422 -29.545 -8.740 1.00 0.00 WAT1 ATOM 4063 H1 TIP3 876 26.145 -29.836 -9.628 1.00 0.00 WAT1 ATOM 4064 H2 TIP3 876 26.785 -30.362 -8.321 1.00 0.00 WAT1 ATOM 4065 OH2 TIP3 877 20.004 -33.231 1.088 1.00 0.00 WAT1 ATOM 4066 H1 TIP3 877 20.610 -34.001 1.055 1.00 0.00 WAT1 ATOM 4067 H2 TIP3 877 19.794 -33.134 2.039 1.00 0.00 WAT1 ATOM 4068 OH2 TIP3 878 22.845 -30.586 7.824 1.00 0.00 WAT1 ATOM 4069 H1 TIP3 878 23.757 -30.596 8.170 1.00 0.00 WAT1 ATOM 4070 H2 TIP3 878 22.834 -31.297 7.152 1.00 0.00 WAT1 ATOM 4071 OH2 TIP3 879 25.485 -36.212 -13.158 1.00 0.00 WAT1 ATOM 4072 H1 TIP3 879 24.924 -36.657 -12.481 1.00 0.00 WAT1 ATOM 4073 H2 TIP3 879 26.264 -35.936 -12.672 1.00 0.00 WAT1 ATOM 4074 OH2 TIP3 880 25.397 -29.460 -11.279 1.00 0.00 WAT1 ATOM 4075 H1 TIP3 880 24.847 -28.766 -10.894 1.00 0.00 WAT1 ATOM 4076 H2 TIP3 880 24.757 -30.186 -11.484 1.00 0.00 WAT1 ATOM 4077 OH2 TIP3 881 20.708 -38.803 -5.020 1.00 0.00 WAT1 ATOM 4078 H1 TIP3 881 21.666 -38.594 -4.958 1.00 0.00 WAT1 ATOM 4079 H2 TIP3 881 20.581 -39.067 -5.949 1.00 0.00 WAT1 ATOM 4080 OH2 TIP3 882 20.036 -37.201 -0.267 1.00 0.00 WAT1 ATOM 4081 H1 TIP3 882 20.030 -38.066 -0.719 1.00 0.00 WAT1 ATOM 4082 H2 TIP3 882 19.569 -36.613 -0.884 1.00 0.00 WAT1 ATOM 4083 OH2 TIP3 883 26.209 -34.830 -0.270 1.00 0.00 WAT1 ATOM 4084 H1 TIP3 883 27.113 -34.890 0.105 1.00 0.00 WAT1 ATOM 4085 H2 TIP3 883 26.193 -33.967 -0.706 1.00 0.00 WAT1 ATOM 4086 OH2 TIP3 884 27.263 -33.928 4.529 1.00 0.00 WAT1 ATOM 4087 H1 TIP3 884 28.045 -34.153 3.981 1.00 0.00 WAT1 ATOM 4088 H2 TIP3 884 27.312 -32.954 4.631 1.00 0.00 WAT1 ATOM 4089 OH2 TIP3 885 29.908 -32.063 5.921 1.00 0.00 WAT1 ATOM 4090 H1 TIP3 885 29.065 -31.723 5.544 1.00 0.00 WAT1 ATOM 4091 H2 TIP3 885 29.763 -32.048 6.874 1.00 0.00 WAT1 ATOM 4092 OH2 TIP3 886 30.422 -32.326 -0.093 1.00 0.00 WAT1 ATOM 4093 H1 TIP3 886 30.660 -31.786 -0.859 1.00 0.00 WAT1 ATOM 4094 H2 TIP3 886 30.300 -31.675 0.629 1.00 0.00 WAT1 ATOM 4095 OH2 TIP3 887 28.699 -34.108 -2.150 1.00 0.00 WAT1 ATOM 4096 H1 TIP3 887 29.415 -34.655 -2.485 1.00 0.00 WAT1 ATOM 4097 H2 TIP3 887 28.701 -34.276 -1.182 1.00 0.00 WAT1 ATOM 4098 OH2 TIP3 888 30.003 -37.096 -9.081 1.00 0.00 WAT1 ATOM 4099 H1 TIP3 888 30.516 -37.886 -9.285 1.00 0.00 WAT1 ATOM 4100 H2 TIP3 888 30.160 -36.512 -9.830 1.00 0.00 WAT1 ATOM 4101 OH2 TIP3 889 23.832 -34.617 4.393 1.00 0.00 WAT1 ATOM 4102 H1 TIP3 889 24.561 -35.198 4.086 1.00 0.00 WAT1 ATOM 4103 H2 TIP3 889 23.129 -35.230 4.644 1.00 0.00 WAT1 ATOM 4104 OH2 TIP3 890 30.375 -34.778 5.531 1.00 0.00 WAT1 ATOM 4105 H1 TIP3 890 29.742 -35.017 6.234 1.00 0.00 WAT1 ATOM 4106 H2 TIP3 890 30.506 -33.820 5.647 1.00 0.00 WAT1 ATOM 4107 OH2 TIP3 891 25.509 -30.456 8.665 1.00 0.00 WAT1 ATOM 4108 H1 TIP3 891 25.934 -29.722 9.171 1.00 0.00 WAT1 ATOM 4109 H2 TIP3 891 25.699 -31.242 9.188 1.00 0.00 WAT1 ATOM 4110 OH2 TIP3 892 28.060 -34.807 7.051 1.00 0.00 WAT1 ATOM 4111 H1 TIP3 892 27.637 -34.514 6.217 1.00 0.00 WAT1 ATOM 4112 H2 TIP3 892 27.382 -35.328 7.489 1.00 0.00 WAT1 ATOM 4113 OH2 TIP3 893 20.690 -34.218 5.475 1.00 0.00 WAT1 ATOM 4114 H1 TIP3 893 20.203 -33.762 4.753 1.00 0.00 WAT1 ATOM 4115 H2 TIP3 893 20.050 -34.836 5.836 1.00 0.00 WAT1 ATOM 4116 OH2 TIP3 894 21.557 -19.249 -36.642 1.00 0.00 WAT1 ATOM 4117 H1 TIP3 894 22.265 -18.746 -37.059 1.00 0.00 WAT1 ATOM 4118 H2 TIP3 894 21.260 -18.674 -35.900 1.00 0.00 WAT1 ATOM 4119 OH2 TIP3 895 17.767 -28.536 -45.027 1.00 0.00 WAT1 ATOM 4120 H1 TIP3 895 18.569 -27.965 -45.053 1.00 0.00 WAT1 ATOM 4121 H2 TIP3 895 17.036 -27.916 -45.092 1.00 0.00 WAT1 ATOM 4122 OH2 TIP3 896 26.445 -27.380 -41.038 1.00 0.00 WAT1 ATOM 4123 H1 TIP3 896 26.806 -28.005 -40.375 1.00 0.00 WAT1 ATOM 4124 H2 TIP3 896 26.002 -27.960 -41.691 1.00 0.00 WAT1 ATOM 4125 OH2 TIP3 897 25.351 -24.959 -40.479 1.00 0.00 WAT1 ATOM 4126 H1 TIP3 897 26.034 -25.647 -40.628 1.00 0.00 WAT1 ATOM 4127 H2 TIP3 897 24.898 -24.887 -41.342 1.00 0.00 WAT1 ATOM 4128 OH2 TIP3 898 22.450 -21.788 -36.106 1.00 0.00 WAT1 ATOM 4129 H1 TIP3 898 22.279 -22.340 -36.901 1.00 0.00 WAT1 ATOM 4130 H2 TIP3 898 22.061 -20.915 -36.333 1.00 0.00 WAT1 ATOM 4131 OH2 TIP3 899 22.563 -20.621 -33.394 1.00 0.00 WAT1 ATOM 4132 H1 TIP3 899 23.538 -20.525 -33.390 1.00 0.00 WAT1 ATOM 4133 H2 TIP3 899 22.379 -21.143 -34.198 1.00 0.00 WAT1 ATOM 4134 OH2 TIP3 900 15.361 -19.982 -43.590 1.00 0.00 WAT1 ATOM 4135 H1 TIP3 900 14.628 -20.597 -43.343 1.00 0.00 WAT1 ATOM 4136 H2 TIP3 900 15.879 -20.483 -44.236 1.00 0.00 WAT1 ATOM 4137 OH2 TIP3 901 26.778 -29.546 -39.379 1.00 0.00 WAT1 ATOM 4138 H1 TIP3 901 26.459 -30.298 -39.921 1.00 0.00 WAT1 ATOM 4139 H2 TIP3 901 26.423 -29.720 -38.504 1.00 0.00 WAT1 ATOM 4140 OH2 TIP3 902 20.746 -22.868 -40.771 1.00 0.00 WAT1 ATOM 4141 H1 TIP3 902 20.771 -22.747 -41.737 1.00 0.00 WAT1 ATOM 4142 H2 TIP3 902 20.190 -22.129 -40.453 1.00 0.00 WAT1 ATOM 4143 OH2 TIP3 903 24.816 -24.209 -37.807 1.00 0.00 WAT1 ATOM 4144 H1 TIP3 903 23.921 -23.862 -37.991 1.00 0.00 WAT1 ATOM 4145 H2 TIP3 903 25.193 -24.374 -38.698 1.00 0.00 WAT1 ATOM 4146 OH2 TIP3 904 25.305 -20.764 -33.361 1.00 0.00 WAT1 ATOM 4147 H1 TIP3 904 25.459 -21.396 -34.095 1.00 0.00 WAT1 ATOM 4148 H2 TIP3 904 25.816 -19.966 -33.620 1.00 0.00 WAT1 ATOM 4149 OH2 TIP3 905 26.489 -18.391 -34.144 1.00 0.00 WAT1 ATOM 4150 H1 TIP3 905 26.091 -17.916 -34.914 1.00 0.00 WAT1 ATOM 4151 H2 TIP3 905 27.429 -18.200 -34.211 1.00 0.00 WAT1 ATOM 4152 OH2 TIP3 906 21.564 -25.059 -43.697 1.00 0.00 WAT1 ATOM 4153 H1 TIP3 906 21.779 -25.088 -42.758 1.00 0.00 WAT1 ATOM 4154 H2 TIP3 906 21.177 -24.165 -43.826 1.00 0.00 WAT1 ATOM 4155 OH2 TIP3 907 18.823 -20.849 -40.199 1.00 0.00 WAT1 ATOM 4156 H1 TIP3 907 18.258 -20.236 -40.717 1.00 0.00 WAT1 ATOM 4157 H2 TIP3 907 18.303 -21.677 -40.162 1.00 0.00 WAT1 ATOM 4158 OH2 TIP3 908 23.833 -27.184 -39.492 1.00 0.00 WAT1 ATOM 4159 H1 TIP3 908 23.624 -27.995 -40.005 1.00 0.00 WAT1 ATOM 4160 H2 TIP3 908 24.490 -26.715 -40.042 1.00 0.00 WAT1 ATOM 4161 OH2 TIP3 909 21.793 -26.150 -38.014 1.00 0.00 WAT1 ATOM 4162 H1 TIP3 909 21.626 -26.894 -37.412 1.00 0.00 WAT1 ATOM 4163 H2 TIP3 909 22.536 -26.464 -38.580 1.00 0.00 WAT1 ATOM 4164 OH2 TIP3 910 24.270 -25.537 -43.007 1.00 0.00 WAT1 ATOM 4165 H1 TIP3 910 23.483 -25.462 -43.573 1.00 0.00 WAT1 ATOM 4166 H2 TIP3 910 24.810 -26.211 -43.438 1.00 0.00 WAT1 ATOM 4167 OH2 TIP3 911 18.952 -30.868 -40.805 1.00 0.00 WAT1 ATOM 4168 H1 TIP3 911 19.544 -30.099 -40.783 1.00 0.00 WAT1 ATOM 4169 H2 TIP3 911 18.570 -30.853 -41.710 1.00 0.00 WAT1 ATOM 4170 OH2 TIP3 912 19.879 -26.789 -45.127 1.00 0.00 WAT1 ATOM 4171 H1 TIP3 912 20.471 -26.205 -44.612 1.00 0.00 WAT1 ATOM 4172 H2 TIP3 912 20.411 -27.033 -45.914 1.00 0.00 WAT1 ATOM 4173 OH2 TIP3 913 24.990 -29.319 -42.333 1.00 0.00 WAT1 ATOM 4174 H1 TIP3 913 25.360 -30.168 -42.024 1.00 0.00 WAT1 ATOM 4175 H2 TIP3 913 24.112 -29.273 -41.903 1.00 0.00 WAT1 ATOM 4176 OH2 TIP3 914 24.906 -26.890 -36.979 1.00 0.00 WAT1 ATOM 4177 H1 TIP3 914 25.052 -25.925 -37.033 1.00 0.00 WAT1 ATOM 4178 H2 TIP3 914 24.656 -27.142 -37.889 1.00 0.00 WAT1 ATOM 4179 OH2 TIP3 915 22.148 -23.451 -38.386 1.00 0.00 WAT1 ATOM 4180 H1 TIP3 915 21.946 -24.404 -38.256 1.00 0.00 WAT1 ATOM 4181 H2 TIP3 915 21.717 -23.230 -39.241 1.00 0.00 WAT1 ATOM 4182 OH2 TIP3 916 22.859 -26.433 -32.852 1.00 0.00 WAT1 ATOM 4183 H1 TIP3 916 23.141 -26.816 -33.715 1.00 0.00 WAT1 ATOM 4184 H2 TIP3 916 23.216 -25.511 -32.871 1.00 0.00 WAT1 ATOM 4185 OH2 TIP3 917 20.687 -17.563 -34.683 1.00 0.00 WAT1 ATOM 4186 H1 TIP3 917 19.735 -17.454 -34.844 1.00 0.00 WAT1 ATOM 4187 H2 TIP3 917 20.745 -17.853 -33.741 1.00 0.00 WAT1 ATOM 4188 OH2 TIP3 918 17.208 -19.224 -41.757 1.00 0.00 WAT1 ATOM 4189 H1 TIP3 918 17.098 -18.265 -41.698 1.00 0.00 WAT1 ATOM 4190 H2 TIP3 918 16.444 -19.516 -42.299 1.00 0.00 WAT1 ATOM 4191 OH2 TIP3 919 20.532 -15.140 -31.375 1.00 0.00 WAT1 ATOM 4192 H1 TIP3 919 19.772 -14.684 -30.943 1.00 0.00 WAT1 ATOM 4193 H2 TIP3 919 20.246 -16.064 -31.447 1.00 0.00 WAT1 ATOM 4194 OH2 TIP3 920 24.557 -17.241 -32.281 1.00 0.00 WAT1 ATOM 4195 H1 TIP3 920 24.022 -16.918 -33.030 1.00 0.00 WAT1 ATOM 4196 H2 TIP3 920 25.321 -17.667 -32.702 1.00 0.00 WAT1 ATOM 4197 OH2 TIP3 921 23.997 -23.972 -32.957 1.00 0.00 WAT1 ATOM 4198 H1 TIP3 921 24.371 -23.519 -33.739 1.00 0.00 WAT1 ATOM 4199 H2 TIP3 921 24.050 -23.306 -32.245 1.00 0.00 WAT1 ATOM 4200 OH2 TIP3 922 24.891 -22.731 -35.319 1.00 0.00 WAT1 ATOM 4201 H1 TIP3 922 24.017 -22.373 -35.592 1.00 0.00 WAT1 ATOM 4202 H2 TIP3 922 25.161 -23.292 -36.074 1.00 0.00 WAT1 ATOM 4203 OH2 TIP3 923 21.475 -28.786 -32.944 1.00 0.00 WAT1 ATOM 4204 H1 TIP3 923 21.818 -27.872 -32.833 1.00 0.00 WAT1 ATOM 4205 H2 TIP3 923 21.982 -29.134 -33.696 1.00 0.00 WAT1 ATOM 4206 OH2 TIP3 924 23.239 -27.906 -35.101 1.00 0.00 WAT1 ATOM 4207 H1 TIP3 924 23.942 -27.603 -35.722 1.00 0.00 WAT1 ATOM 4208 H2 TIP3 924 22.497 -28.157 -35.684 1.00 0.00 WAT1 ATOM 4209 OH2 TIP3 925 22.817 -27.866 -30.532 1.00 0.00 WAT1 ATOM 4210 H1 TIP3 925 22.501 -28.657 -31.000 1.00 0.00 WAT1 ATOM 4211 H2 TIP3 925 22.848 -27.173 -31.230 1.00 0.00 WAT1 ATOM 4212 OH2 TIP3 926 24.220 -32.655 -35.524 1.00 0.00 WAT1 ATOM 4213 H1 TIP3 926 23.863 -32.288 -34.683 1.00 0.00 WAT1 ATOM 4214 H2 TIP3 926 23.478 -32.540 -36.171 1.00 0.00 WAT1 ATOM 4215 OH2 TIP3 927 23.435 -32.017 -33.006 1.00 0.00 WAT1 ATOM 4216 H1 TIP3 927 23.870 -31.271 -32.529 1.00 0.00 WAT1 ATOM 4217 H2 TIP3 927 23.521 -32.773 -32.391 1.00 0.00 WAT1 ATOM 4218 OH2 TIP3 928 23.271 -32.510 -29.243 1.00 0.00 WAT1 ATOM 4219 H1 TIP3 928 23.892 -31.778 -29.060 1.00 0.00 WAT1 ATOM 4220 H2 TIP3 928 22.537 -32.083 -29.725 1.00 0.00 WAT1 ATOM 4221 OH2 TIP3 929 19.363 -18.919 -38.338 1.00 0.00 WAT1 ATOM 4222 H1 TIP3 929 20.060 -19.224 -37.726 1.00 0.00 WAT1 ATOM 4223 H2 TIP3 929 19.197 -19.694 -38.920 1.00 0.00 WAT1 ATOM 4224 OH2 TIP3 930 21.288 -27.794 -47.299 1.00 0.00 WAT1 ATOM 4225 H1 TIP3 930 21.809 -27.682 -48.100 1.00 0.00 WAT1 ATOM 4226 H2 TIP3 930 20.929 -28.684 -47.369 1.00 0.00 WAT1 ATOM 4227 OH2 TIP3 931 21.381 -18.395 -32.161 1.00 0.00 WAT1 ATOM 4228 H1 TIP3 931 21.757 -19.225 -32.528 1.00 0.00 WAT1 ATOM 4229 H2 TIP3 931 21.859 -18.269 -31.318 1.00 0.00 WAT1 ATOM 4230 OH2 TIP3 932 25.346 -16.882 -36.065 1.00 0.00 WAT1 ATOM 4231 H1 TIP3 932 25.330 -16.265 -36.800 1.00 0.00 WAT1 ATOM 4232 H2 TIP3 932 24.545 -16.652 -35.539 1.00 0.00 WAT1 ATOM 4233 OH2 TIP3 933 23.155 -16.275 -34.541 1.00 0.00 WAT1 ATOM 4234 H1 TIP3 933 22.979 -15.417 -34.091 1.00 0.00 WAT1 ATOM 4235 H2 TIP3 933 22.265 -16.674 -34.648 1.00 0.00 WAT1 ATOM 4236 OH2 TIP3 934 19.711 -16.299 -39.082 1.00 0.00 WAT1 ATOM 4237 H1 TIP3 934 20.209 -16.480 -39.883 1.00 0.00 WAT1 ATOM 4238 H2 TIP3 934 19.489 -17.192 -38.731 1.00 0.00 WAT1 ATOM 4239 OH2 TIP3 935 25.575 -31.611 -40.787 1.00 0.00 WAT1 ATOM 4240 H1 TIP3 935 24.701 -31.716 -40.354 1.00 0.00 WAT1 ATOM 4241 H2 TIP3 935 25.953 -32.519 -40.780 1.00 0.00 WAT1 ATOM 4242 OH2 TIP3 936 21.449 -31.108 -30.886 1.00 0.00 WAT1 ATOM 4243 H1 TIP3 936 21.627 -30.725 -31.763 1.00 0.00 WAT1 ATOM 4244 H2 TIP3 936 20.944 -31.932 -31.082 1.00 0.00 WAT1 ATOM 4245 OH2 TIP3 937 23.587 -24.708 -20.148 1.00 0.00 WAT1 ATOM 4246 H1 TIP3 937 23.033 -24.878 -19.362 1.00 0.00 WAT1 ATOM 4247 H2 TIP3 937 23.338 -25.426 -20.773 1.00 0.00 WAT1 ATOM 4248 OH2 TIP3 938 24.976 -28.969 -25.966 1.00 0.00 WAT1 ATOM 4249 H1 TIP3 938 25.018 -28.309 -25.244 1.00 0.00 WAT1 ATOM 4250 H2 TIP3 938 24.587 -28.476 -26.714 1.00 0.00 WAT1 ATOM 4251 OH2 TIP3 939 24.607 -21.526 -22.967 1.00 0.00 WAT1 ATOM 4252 H1 TIP3 939 24.352 -21.540 -23.915 1.00 0.00 WAT1 ATOM 4253 H2 TIP3 939 25.218 -20.785 -22.899 1.00 0.00 WAT1 ATOM 4254 OH2 TIP3 940 22.644 -27.007 -21.419 1.00 0.00 WAT1 ATOM 4255 H1 TIP3 940 21.670 -27.071 -21.498 1.00 0.00 WAT1 ATOM 4256 H2 TIP3 940 22.926 -27.914 -21.181 1.00 0.00 WAT1 ATOM 4257 OH2 TIP3 941 27.829 -25.291 -20.951 1.00 0.00 WAT1 ATOM 4258 H1 TIP3 941 27.662 -25.940 -21.673 1.00 0.00 WAT1 ATOM 4259 H2 TIP3 941 28.547 -24.748 -21.286 1.00 0.00 WAT1 ATOM 4260 OH2 TIP3 942 24.728 -31.403 -24.628 1.00 0.00 WAT1 ATOM 4261 H1 TIP3 942 24.219 -31.979 -25.229 1.00 0.00 WAT1 ATOM 4262 H2 TIP3 942 24.831 -30.566 -25.127 1.00 0.00 WAT1 ATOM 4263 OH2 TIP3 943 22.911 -19.497 -27.778 1.00 0.00 WAT1 ATOM 4264 H1 TIP3 943 23.143 -18.974 -28.572 1.00 0.00 WAT1 ATOM 4265 H2 TIP3 943 22.266 -18.930 -27.303 1.00 0.00 WAT1 ATOM 4266 OH2 TIP3 944 26.319 -20.474 -12.364 1.00 0.00 WAT1 ATOM 4267 H1 TIP3 944 27.145 -20.742 -12.834 1.00 0.00 WAT1 ATOM 4268 H2 TIP3 944 25.787 -20.026 -13.053 1.00 0.00 WAT1 ATOM 4269 OH2 TIP3 945 24.062 -21.539 -25.715 1.00 0.00 WAT1 ATOM 4270 H1 TIP3 945 24.089 -21.975 -26.596 1.00 0.00 WAT1 ATOM 4271 H2 TIP3 945 23.725 -20.650 -25.910 1.00 0.00 WAT1 ATOM 4272 OH2 TIP3 946 23.959 -22.163 -14.640 1.00 0.00 WAT1 ATOM 4273 H1 TIP3 946 24.704 -22.801 -14.657 1.00 0.00 WAT1 ATOM 4274 H2 TIP3 946 23.414 -22.410 -15.429 1.00 0.00 WAT1 ATOM 4275 OH2 TIP3 947 19.225 -18.341 -24.490 1.00 0.00 WAT1 ATOM 4276 H1 TIP3 947 19.178 -19.302 -24.546 1.00 0.00 WAT1 ATOM 4277 H2 TIP3 947 18.492 -18.097 -23.887 1.00 0.00 WAT1 ATOM 4278 OH2 TIP3 948 24.587 -19.516 -14.379 1.00 0.00 WAT1 ATOM 4279 H1 TIP3 948 24.278 -20.452 -14.431 1.00 0.00 WAT1 ATOM 4280 H2 TIP3 948 24.656 -19.240 -15.302 1.00 0.00 WAT1 ATOM 4281 OH2 TIP3 949 23.904 -32.023 -22.085 1.00 0.00 WAT1 ATOM 4282 H1 TIP3 949 23.366 -32.753 -22.452 1.00 0.00 WAT1 ATOM 4283 H2 TIP3 949 24.396 -31.681 -22.866 1.00 0.00 WAT1 ATOM 4284 OH2 TIP3 950 24.723 -26.774 -17.054 1.00 0.00 WAT1 ATOM 4285 H1 TIP3 950 25.186 -26.151 -17.656 1.00 0.00 WAT1 ATOM 4286 H2 TIP3 950 24.726 -27.628 -17.548 1.00 0.00 WAT1 ATOM 4287 OH2 TIP3 951 28.792 -24.083 -14.588 1.00 0.00 WAT1 ATOM 4288 H1 TIP3 951 29.514 -24.573 -14.152 1.00 0.00 WAT1 ATOM 4289 H2 TIP3 951 28.527 -24.661 -15.340 1.00 0.00 WAT1 ATOM 4290 OH2 TIP3 952 22.308 -25.587 -17.842 1.00 0.00 WAT1 ATOM 4291 H1 TIP3 952 23.036 -26.096 -17.432 1.00 0.00 WAT1 ATOM 4292 H2 TIP3 952 21.675 -26.267 -18.133 1.00 0.00 WAT1 ATOM 4293 OH2 TIP3 953 24.864 -30.215 -28.788 1.00 0.00 WAT1 ATOM 4294 H1 TIP3 953 24.513 -29.325 -28.577 1.00 0.00 WAT1 ATOM 4295 H2 TIP3 953 25.451 -30.417 -28.045 1.00 0.00 WAT1 ATOM 4296 OH2 TIP3 954 17.630 -31.481 -24.907 1.00 0.00 WAT1 ATOM 4297 H1 TIP3 954 17.443 -32.442 -24.939 1.00 0.00 WAT1 ATOM 4298 H2 TIP3 954 17.934 -31.266 -25.807 1.00 0.00 WAT1 ATOM 4299 OH2 TIP3 955 24.890 -26.803 -24.092 1.00 0.00 WAT1 ATOM 4300 H1 TIP3 955 24.196 -26.933 -23.424 1.00 0.00 WAT1 ATOM 4301 H2 TIP3 955 24.870 -25.831 -24.272 1.00 0.00 WAT1 ATOM 4302 OH2 TIP3 956 27.476 -26.962 -23.063 1.00 0.00 WAT1 ATOM 4303 H1 TIP3 956 27.846 -27.740 -23.489 1.00 0.00 WAT1 ATOM 4304 H2 TIP3 956 26.575 -26.886 -23.442 1.00 0.00 WAT1 ATOM 4305 OH2 TIP3 957 24.047 -27.582 -28.173 1.00 0.00 WAT1 ATOM 4306 H1 TIP3 957 23.594 -27.600 -29.053 1.00 0.00 WAT1 ATOM 4307 H2 TIP3 957 24.086 -26.644 -27.947 1.00 0.00 WAT1 ATOM 4308 OH2 TIP3 958 23.020 -22.932 -12.176 1.00 0.00 WAT1 ATOM 4309 H1 TIP3 958 23.192 -22.586 -13.076 1.00 0.00 WAT1 ATOM 4310 H2 TIP3 958 23.907 -23.151 -11.835 1.00 0.00 WAT1 ATOM 4311 OH2 TIP3 959 33.430 -22.778 -12.996 1.00 0.00 WAT1 ATOM 4312 H1 TIP3 959 33.333 -23.294 -12.168 1.00 0.00 WAT1 ATOM 4313 H2 TIP3 959 34.208 -23.152 -13.419 1.00 0.00 WAT1 ATOM 4314 OH2 TIP3 960 18.085 -25.040 -32.387 1.00 0.00 WAT1 ATOM 4315 H1 TIP3 960 18.482 -25.937 -32.345 1.00 0.00 WAT1 ATOM 4316 H2 TIP3 960 18.652 -24.502 -31.823 1.00 0.00 WAT1 ATOM 4317 OH2 TIP3 961 20.707 -17.591 -18.254 1.00 0.00 WAT1 ATOM 4318 H1 TIP3 961 21.420 -18.261 -18.338 1.00 0.00 WAT1 ATOM 4319 H2 TIP3 961 20.220 -17.668 -19.081 1.00 0.00 WAT1 ATOM 4320 OH2 TIP3 962 23.723 -22.067 -28.392 1.00 0.00 WAT1 ATOM 4321 H1 TIP3 962 23.361 -21.166 -28.256 1.00 0.00 WAT1 ATOM 4322 H2 TIP3 962 23.869 -22.121 -29.358 1.00 0.00 WAT1 ATOM 4323 OH2 TIP3 963 27.426 -25.537 -16.518 1.00 0.00 WAT1 ATOM 4324 H1 TIP3 963 27.274 -26.489 -16.535 1.00 0.00 WAT1 ATOM 4325 H2 TIP3 963 27.068 -25.222 -17.377 1.00 0.00 WAT1 ATOM 4326 OH2 TIP3 964 24.607 -30.061 -31.572 1.00 0.00 WAT1 ATOM 4327 H1 TIP3 964 24.783 -30.181 -30.616 1.00 0.00 WAT1 ATOM 4328 H2 TIP3 964 24.800 -29.132 -31.733 1.00 0.00 WAT1 ATOM 4329 OH2 TIP3 965 23.127 -17.728 -29.963 1.00 0.00 WAT1 ATOM 4330 H1 TIP3 965 23.764 -17.601 -30.702 1.00 0.00 WAT1 ATOM 4331 H2 TIP3 965 22.986 -16.826 -29.613 1.00 0.00 WAT1 ATOM 4332 OH2 TIP3 966 20.609 -28.117 -18.633 1.00 0.00 WAT1 ATOM 4333 H1 TIP3 966 20.564 -28.910 -19.209 1.00 0.00 WAT1 ATOM 4334 H2 TIP3 966 21.018 -28.446 -17.808 1.00 0.00 WAT1 ATOM 4335 OH2 TIP3 967 21.150 -17.653 -26.620 1.00 0.00 WAT1 ATOM 4336 H1 TIP3 967 20.768 -16.913 -27.130 1.00 0.00 WAT1 ATOM 4337 H2 TIP3 967 20.544 -17.762 -25.869 1.00 0.00 WAT1 ATOM 4338 OH2 TIP3 968 20.292 -14.125 -14.219 1.00 0.00 WAT1 ATOM 4339 H1 TIP3 968 20.124 -14.627 -15.042 1.00 0.00 WAT1 ATOM 4340 H2 TIP3 968 20.605 -14.803 -13.587 1.00 0.00 WAT1 ATOM 4341 OH2 TIP3 969 20.711 -23.582 -10.932 1.00 0.00 WAT1 ATOM 4342 H1 TIP3 969 21.586 -23.477 -11.379 1.00 0.00 WAT1 ATOM 4343 H2 TIP3 969 20.831 -24.358 -10.352 1.00 0.00 WAT1 ATOM 4344 OH2 TIP3 970 23.941 -21.845 -31.173 1.00 0.00 WAT1 ATOM 4345 H1 TIP3 970 23.129 -21.492 -31.574 1.00 0.00 WAT1 ATOM 4346 H2 TIP3 970 24.660 -21.397 -31.663 1.00 0.00 WAT1 ATOM 4347 OH2 TIP3 971 31.212 -21.199 -12.941 1.00 0.00 WAT1 ATOM 4348 H1 TIP3 971 31.445 -20.454 -13.508 1.00 0.00 WAT1 ATOM 4349 H2 TIP3 971 31.959 -21.837 -13.066 1.00 0.00 WAT1 ATOM 4350 OH2 TIP3 972 22.658 -22.986 -16.856 1.00 0.00 WAT1 ATOM 4351 H1 TIP3 972 22.521 -22.434 -17.636 1.00 0.00 WAT1 ATOM 4352 H2 TIP3 972 22.473 -23.895 -17.168 1.00 0.00 WAT1 ATOM 4353 OH2 TIP3 973 26.138 -23.945 -14.462 1.00 0.00 WAT1 ATOM 4354 H1 TIP3 973 26.096 -24.676 -15.102 1.00 0.00 WAT1 ATOM 4355 H2 TIP3 973 27.093 -23.702 -14.449 1.00 0.00 WAT1 ATOM 4356 OH2 TIP3 974 30.948 -21.971 -10.307 1.00 0.00 WAT1 ATOM 4357 H1 TIP3 974 31.041 -21.151 -9.810 1.00 0.00 WAT1 ATOM 4358 H2 TIP3 974 30.960 -21.685 -11.250 1.00 0.00 WAT1 ATOM 4359 OH2 TIP3 975 23.949 -27.901 -14.664 1.00 0.00 WAT1 ATOM 4360 H1 TIP3 975 23.250 -28.412 -15.113 1.00 0.00 WAT1 ATOM 4361 H2 TIP3 975 24.382 -27.407 -15.389 1.00 0.00 WAT1 ATOM 4362 OH2 TIP3 976 26.038 -25.212 -18.903 1.00 0.00 WAT1 ATOM 4363 H1 TIP3 976 26.722 -25.252 -19.615 1.00 0.00 WAT1 ATOM 4364 H2 TIP3 976 25.232 -24.899 -19.369 1.00 0.00 WAT1 ATOM 4365 OH2 TIP3 977 24.502 -29.134 -18.319 1.00 0.00 WAT1 ATOM 4366 H1 TIP3 977 24.981 -29.944 -18.043 1.00 0.00 WAT1 ATOM 4367 H2 TIP3 977 24.192 -29.336 -19.232 1.00 0.00 WAT1 ATOM 4368 OH2 TIP3 978 26.445 -30.124 -14.601 1.00 0.00 WAT1 ATOM 4369 H1 TIP3 978 26.924 -29.402 -14.137 1.00 0.00 WAT1 ATOM 4370 H2 TIP3 978 25.842 -30.470 -13.933 1.00 0.00 WAT1 ATOM 4371 OH2 TIP3 979 26.040 -31.128 -17.074 1.00 0.00 WAT1 ATOM 4372 H1 TIP3 979 26.925 -31.040 -17.444 1.00 0.00 WAT1 ATOM 4373 H2 TIP3 979 26.123 -30.755 -16.160 1.00 0.00 WAT1 ATOM 4374 OH2 TIP3 980 22.320 -29.136 -16.658 1.00 0.00 WAT1 ATOM 4375 H1 TIP3 980 22.186 -30.112 -16.670 1.00 0.00 WAT1 ATOM 4376 H2 TIP3 980 23.074 -28.997 -17.267 1.00 0.00 WAT1 ATOM 4377 OH2 TIP3 981 14.520 -13.077 -26.207 1.00 0.00 WAT1 ATOM 4378 H1 TIP3 981 14.515 -13.561 -25.357 1.00 0.00 WAT1 ATOM 4379 H2 TIP3 981 14.418 -13.778 -26.876 1.00 0.00 WAT1 ATOM 4380 OH2 TIP3 982 23.596 -21.871 -20.323 1.00 0.00 WAT1 ATOM 4381 H1 TIP3 982 23.885 -21.708 -21.241 1.00 0.00 WAT1 ATOM 4382 H2 TIP3 982 23.648 -22.841 -20.227 1.00 0.00 WAT1 ATOM 4383 OH2 TIP3 983 19.707 -27.263 -21.179 1.00 0.00 WAT1 ATOM 4384 H1 TIP3 983 19.794 -27.420 -20.224 1.00 0.00 WAT1 ATOM 4385 H2 TIP3 983 18.818 -27.604 -21.399 1.00 0.00 WAT1 ATOM 4386 OH2 TIP3 984 16.633 -31.174 -29.021 1.00 0.00 WAT1 ATOM 4387 H1 TIP3 984 16.060 -31.528 -28.302 1.00 0.00 WAT1 ATOM 4388 H2 TIP3 984 16.027 -30.669 -29.576 1.00 0.00 WAT1 ATOM 4389 OH2 TIP3 985 21.058 -16.196 -12.495 1.00 0.00 WAT1 ATOM 4390 H1 TIP3 985 20.456 -16.968 -12.451 1.00 0.00 WAT1 ATOM 4391 H2 TIP3 985 21.949 -16.595 -12.629 1.00 0.00 WAT1 ATOM 4392 OH2 TIP3 986 20.718 -30.447 -20.270 1.00 0.00 WAT1 ATOM 4393 H1 TIP3 986 20.847 -31.290 -19.793 1.00 0.00 WAT1 ATOM 4394 H2 TIP3 986 20.498 -30.724 -21.185 1.00 0.00 WAT1 ATOM 4395 OH2 TIP3 987 18.823 -30.953 -27.330 1.00 0.00 WAT1 ATOM 4396 H1 TIP3 987 19.575 -30.437 -27.716 1.00 0.00 WAT1 ATOM 4397 H2 TIP3 987 18.101 -30.847 -27.986 1.00 0.00 WAT1 ATOM 4398 OH2 TIP3 988 18.063 -16.556 -26.267 1.00 0.00 WAT1 ATOM 4399 H1 TIP3 988 18.468 -17.198 -25.659 1.00 0.00 WAT1 ATOM 4400 H2 TIP3 988 17.097 -16.677 -26.135 1.00 0.00 WAT1 ATOM 4401 OH2 TIP3 989 20.856 -29.677 -28.632 1.00 0.00 WAT1 ATOM 4402 H1 TIP3 989 21.066 -30.193 -29.441 1.00 0.00 WAT1 ATOM 4403 H2 TIP3 989 21.293 -28.829 -28.772 1.00 0.00 WAT1 ATOM 4404 OH2 TIP3 990 23.387 -31.176 -11.744 1.00 0.00 WAT1 ATOM 4405 H1 TIP3 990 22.975 -31.433 -10.887 1.00 0.00 WAT1 ATOM 4406 H2 TIP3 990 23.024 -31.823 -12.386 1.00 0.00 WAT1 ATOM 4407 OH2 TIP3 991 22.298 -15.110 -29.310 1.00 0.00 WAT1 ATOM 4408 H1 TIP3 991 21.717 -15.126 -30.099 1.00 0.00 WAT1 ATOM 4409 H2 TIP3 991 21.677 -15.195 -28.557 1.00 0.00 WAT1 ATOM 4410 OH2 TIP3 992 33.006 -25.595 -8.329 1.00 0.00 WAT1 ATOM 4411 H1 TIP3 992 32.231 -25.962 -8.812 1.00 0.00 WAT1 ATOM 4412 H2 TIP3 992 32.620 -25.221 -7.506 1.00 0.00 WAT1 ATOM 4413 OH2 TIP3 993 31.846 -25.077 -5.868 1.00 0.00 WAT1 ATOM 4414 H1 TIP3 993 31.548 -26.000 -5.716 1.00 0.00 WAT1 ATOM 4415 H2 TIP3 993 31.168 -24.529 -5.417 1.00 0.00 WAT1 ATOM 4416 OH2 TIP3 994 26.452 -23.868 -2.013 1.00 0.00 WAT1 ATOM 4417 H1 TIP3 994 25.773 -23.972 -2.726 1.00 0.00 WAT1 ATOM 4418 H2 TIP3 994 26.673 -24.787 -1.754 1.00 0.00 WAT1 ATOM 4419 OH2 TIP3 995 30.105 -20.266 -3.259 1.00 0.00 WAT1 ATOM 4420 H1 TIP3 995 30.878 -20.842 -3.136 1.00 0.00 WAT1 ATOM 4421 H2 TIP3 995 29.342 -20.880 -3.238 1.00 0.00 WAT1 ATOM 4422 OH2 TIP3 996 36.696 -26.296 -3.588 1.00 0.00 WAT1 ATOM 4423 H1 TIP3 996 37.153 -27.021 -4.020 1.00 0.00 WAT1 ATOM 4424 H2 TIP3 996 35.921 -26.121 -4.162 1.00 0.00 WAT1 ATOM 4425 OH2 TIP3 997 34.224 -27.636 -6.992 1.00 0.00 WAT1 ATOM 4426 H1 TIP3 997 34.788 -28.185 -7.547 1.00 0.00 WAT1 ATOM 4427 H2 TIP3 997 33.902 -26.929 -7.599 1.00 0.00 WAT1 ATOM 4428 OH2 TIP3 998 27.969 -22.051 -3.387 1.00 0.00 WAT1 ATOM 4429 H1 TIP3 998 27.207 -21.546 -3.734 1.00 0.00 WAT1 ATOM 4430 H2 TIP3 998 27.565 -22.684 -2.755 1.00 0.00 WAT1 ATOM 4431 OH2 TIP3 999 24.710 -20.784 -1.474 1.00 0.00 WAT1 ATOM 4432 H1 TIP3 999 25.452 -21.136 -0.935 1.00 0.00 WAT1 ATOM 4433 H2 TIP3 999 25.061 -20.776 -2.388 1.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1000 20.756 -20.666 -9.012 1.00 0.00 WAT1 ATOM 4435 H1 TIP3 1000 20.586 -20.906 -9.943 1.00 0.00 WAT1 ATOM 4436 H2 TIP3 1000 20.622 -19.694 -8.990 1.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1001 27.874 -31.564 -2.432 1.00 0.00 WAT1 ATOM 4438 H1 TIP3 1001 28.273 -32.467 -2.404 1.00 0.00 WAT1 ATOM 4439 H2 TIP3 1001 27.036 -31.663 -1.941 1.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1002 29.364 -24.217 -10.296 1.00 0.00 WAT1 ATOM 4441 H1 TIP3 1002 28.605 -24.079 -9.674 1.00 0.00 WAT1 ATOM 4442 H2 TIP3 1002 29.856 -23.366 -10.261 1.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1003 32.782 -24.058 -10.662 1.00 0.00 WAT1 ATOM 4444 H1 TIP3 1003 33.123 -24.503 -9.860 1.00 0.00 WAT1 ATOM 4445 H2 TIP3 1003 32.198 -23.353 -10.316 1.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1004 32.045 -26.324 -2.198 1.00 0.00 WAT1 ATOM 4447 H1 TIP3 1004 32.366 -27.206 -2.477 1.00 0.00 WAT1 ATOM 4448 H2 TIP3 1004 32.817 -25.738 -2.317 1.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1005 28.827 -17.813 -3.436 1.00 0.00 WAT1 ATOM 4450 H1 TIP3 1005 29.253 -18.699 -3.452 1.00 0.00 WAT1 ATOM 4451 H2 TIP3 1005 29.463 -17.256 -2.977 1.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1006 26.461 -22.203 0.101 1.00 0.00 WAT1 ATOM 4453 H1 TIP3 1006 27.370 -22.315 0.452 1.00 0.00 WAT1 ATOM 4454 H2 TIP3 1006 26.401 -22.874 -0.614 1.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1007 22.867 -22.892 -1.361 1.00 0.00 WAT1 ATOM 4456 H1 TIP3 1007 22.892 -22.975 -2.338 1.00 0.00 WAT1 ATOM 4457 H2 TIP3 1007 23.491 -22.168 -1.172 1.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1008 21.253 -25.467 -9.027 1.00 0.00 WAT1 ATOM 4459 H1 TIP3 1008 21.366 -24.651 -8.492 1.00 0.00 WAT1 ATOM 4460 H2 TIP3 1008 20.629 -26.013 -8.497 1.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1009 21.270 -24.030 0.459 1.00 0.00 WAT1 ATOM 4462 H1 TIP3 1009 21.835 -23.648 -0.261 1.00 0.00 WAT1 ATOM 4463 H2 TIP3 1009 21.641 -23.651 1.271 1.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1010 18.880 -22.989 -0.592 1.00 0.00 WAT1 ATOM 4465 H1 TIP3 1010 18.512 -23.811 -0.943 1.00 0.00 WAT1 ATOM 4466 H2 TIP3 1010 19.699 -23.270 -0.139 1.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1011 22.308 -20.235 -3.783 1.00 0.00 WAT1 ATOM 4468 H1 TIP3 1011 22.483 -21.198 -3.911 1.00 0.00 WAT1 ATOM 4469 H2 TIP3 1011 23.165 -19.817 -3.957 1.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1012 21.255 -19.072 -1.501 1.00 0.00 WAT1 ATOM 4471 H1 TIP3 1012 21.654 -19.617 -2.211 1.00 0.00 WAT1 ATOM 4472 H2 TIP3 1012 20.368 -19.469 -1.366 1.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1013 31.450 -31.090 3.890 1.00 0.00 WAT1 ATOM 4474 H1 TIP3 1013 32.346 -31.436 3.944 1.00 0.00 WAT1 ATOM 4475 H2 TIP3 1013 31.000 -31.463 4.679 1.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1014 29.513 -26.034 -3.135 1.00 0.00 WAT1 ATOM 4477 H1 TIP3 1014 29.660 -25.151 -3.539 1.00 0.00 WAT1 ATOM 4478 H2 TIP3 1014 30.397 -26.286 -2.787 1.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1015 27.351 -28.281 -12.812 1.00 0.00 WAT1 ATOM 4480 H1 TIP3 1015 27.600 -27.454 -12.360 1.00 0.00 WAT1 ATOM 4481 H2 TIP3 1015 26.797 -28.755 -12.157 1.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1016 28.514 -21.603 -13.515 1.00 0.00 WAT1 ATOM 4483 H1 TIP3 1016 29.426 -21.392 -13.240 1.00 0.00 WAT1 ATOM 4484 H2 TIP3 1016 28.604 -22.454 -13.995 1.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1017 27.195 -27.647 2.997 1.00 0.00 WAT1 ATOM 4486 H1 TIP3 1017 27.366 -27.672 3.948 1.00 0.00 WAT1 ATOM 4487 H2 TIP3 1017 26.307 -27.222 2.924 1.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1018 34.348 -25.778 -4.959 1.00 0.00 WAT1 ATOM 4489 H1 TIP3 1018 33.517 -25.331 -5.226 1.00 0.00 WAT1 ATOM 4490 H2 TIP3 1018 34.420 -26.530 -5.582 1.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1019 31.737 -27.822 -5.692 1.00 0.00 WAT1 ATOM 4492 H1 TIP3 1019 31.859 -28.224 -4.804 1.00 0.00 WAT1 ATOM 4493 H2 TIP3 1019 32.601 -27.949 -6.130 1.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1020 29.157 -28.604 -0.073 1.00 0.00 WAT1 ATOM 4495 H1 TIP3 1020 29.556 -29.162 0.632 1.00 0.00 WAT1 ATOM 4496 H2 TIP3 1020 28.197 -28.747 0.025 1.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1021 22.992 -20.011 0.484 1.00 0.00 WAT1 ATOM 4498 H1 TIP3 1021 22.256 -19.570 0.024 1.00 0.00 WAT1 ATOM 4499 H2 TIP3 1021 23.651 -20.173 -0.222 1.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1022 27.302 -23.648 -8.718 1.00 0.00 WAT1 ATOM 4501 H1 TIP3 1022 26.957 -22.783 -9.016 1.00 0.00 WAT1 ATOM 4502 H2 TIP3 1022 26.870 -23.790 -7.848 1.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1023 30.809 -26.476 -9.704 1.00 0.00 WAT1 ATOM 4504 H1 TIP3 1023 30.828 -26.910 -10.569 1.00 0.00 WAT1 ATOM 4505 H2 TIP3 1023 30.248 -25.681 -9.848 1.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1024 32.296 -22.171 -3.335 1.00 0.00 WAT1 ATOM 4507 H1 TIP3 1024 32.961 -21.598 -3.734 1.00 0.00 WAT1 ATOM 4508 H2 TIP3 1024 32.809 -22.947 -3.015 1.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1025 30.768 -24.961 -12.538 1.00 0.00 WAT1 ATOM 4510 H1 TIP3 1025 30.117 -24.677 -11.874 1.00 0.00 WAT1 ATOM 4511 H2 TIP3 1025 31.627 -24.796 -12.113 1.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1026 23.078 -26.344 0.968 1.00 0.00 WAT1 ATOM 4513 H1 TIP3 1026 22.683 -25.551 0.575 1.00 0.00 WAT1 ATOM 4514 H2 TIP3 1026 22.308 -26.860 1.295 1.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1027 28.879 -25.745 1.978 1.00 0.00 WAT1 ATOM 4516 H1 TIP3 1027 29.653 -26.175 1.588 1.00 0.00 WAT1 ATOM 4517 H2 TIP3 1027 28.308 -26.492 2.265 1.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1028 33.901 -24.300 -2.638 1.00 0.00 WAT1 ATOM 4519 H1 TIP3 1028 34.701 -24.296 -2.057 1.00 0.00 WAT1 ATOM 4520 H2 TIP3 1028 34.203 -24.747 -3.454 1.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1029 23.041 -20.277 -7.426 1.00 0.00 WAT1 ATOM 4522 H1 TIP3 1029 22.689 -19.395 -7.188 1.00 0.00 WAT1 ATOM 4523 H2 TIP3 1029 22.393 -20.625 -8.065 1.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1030 25.956 -23.596 -6.402 1.00 0.00 WAT1 ATOM 4525 H1 TIP3 1030 25.624 -23.807 -5.496 1.00 0.00 WAT1 ATOM 4526 H2 TIP3 1030 25.932 -22.614 -6.443 1.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1031 30.071 -23.606 -4.272 1.00 0.00 WAT1 ATOM 4528 H1 TIP3 1031 29.289 -23.039 -4.084 1.00 0.00 WAT1 ATOM 4529 H2 TIP3 1031 30.830 -23.080 -3.942 1.00 0.00 WAT1 ATOM 4530 OH2 TIP3 1032 22.947 -17.108 -2.400 1.00 0.00 WAT1 ATOM 4531 H1 TIP3 1032 23.626 -17.189 -1.721 1.00 0.00 WAT1 ATOM 4532 H2 TIP3 1032 22.206 -17.655 -2.063 1.00 0.00 WAT1 ATOM 4533 OH2 TIP3 1033 26.045 -21.381 -9.661 1.00 0.00 WAT1 ATOM 4534 H1 TIP3 1033 25.505 -22.078 -10.073 1.00 0.00 WAT1 ATOM 4535 H2 TIP3 1033 26.234 -20.764 -10.395 1.00 0.00 WAT1 ATOM 4536 OH2 TIP3 1034 21.317 -23.055 -7.693 1.00 0.00 WAT1 ATOM 4537 H1 TIP3 1034 21.026 -22.240 -8.161 1.00 0.00 WAT1 ATOM 4538 H2 TIP3 1034 21.091 -22.891 -6.768 1.00 0.00 WAT1 ATOM 4539 OH2 TIP3 1035 29.825 -30.435 1.811 1.00 0.00 WAT1 ATOM 4540 H1 TIP3 1035 30.432 -30.591 2.576 1.00 0.00 WAT1 ATOM 4541 H2 TIP3 1035 28.932 -30.559 2.184 1.00 0.00 WAT1 ATOM 4542 OH2 TIP3 1036 29.616 -27.336 -7.384 1.00 0.00 WAT1 ATOM 4543 H1 TIP3 1036 30.170 -27.121 -8.161 1.00 0.00 WAT1 ATOM 4544 H2 TIP3 1036 30.255 -27.671 -6.721 1.00 0.00 WAT1 ATOM 4545 OH2 TIP3 1037 27.382 -27.089 -8.897 1.00 0.00 WAT1 ATOM 4546 H1 TIP3 1037 27.082 -28.030 -8.946 1.00 0.00 WAT1 ATOM 4547 H2 TIP3 1037 28.218 -27.134 -8.382 1.00 0.00 WAT1 ATOM 4548 OH2 TIP3 1038 27.379 -26.394 -1.376 1.00 0.00 WAT1 ATOM 4549 H1 TIP3 1038 28.343 -26.321 -1.522 1.00 0.00 WAT1 ATOM 4550 H2 TIP3 1038 27.299 -26.942 -0.578 1.00 0.00 WAT1 ATOM 4551 OH2 TIP3 1039 26.770 -31.380 -4.960 1.00 0.00 WAT1 ATOM 4552 H1 TIP3 1039 27.330 -31.319 -4.163 1.00 0.00 WAT1 ATOM 4553 H2 TIP3 1039 26.129 -32.094 -4.746 1.00 0.00 WAT1 ATOM 4554 OH2 TIP3 1040 36.323 -24.654 -1.454 1.00 0.00 WAT1 ATOM 4555 H1 TIP3 1040 36.578 -25.265 -2.183 1.00 0.00 WAT1 ATOM 4556 H2 TIP3 1040 37.116 -24.584 -0.916 1.00 0.00 WAT1 ATOM 4557 OH2 TIP3 1041 23.877 -23.933 -8.316 1.00 0.00 WAT1 ATOM 4558 H1 TIP3 1041 23.051 -23.484 -8.042 1.00 0.00 WAT1 ATOM 4559 H2 TIP3 1041 24.498 -23.758 -7.587 1.00 0.00 WAT1 ATOM 4560 OH2 TIP3 1042 20.656 -17.899 -9.176 1.00 0.00 WAT1 ATOM 4561 H1 TIP3 1042 21.110 -17.835 -8.307 1.00 0.00 WAT1 ATOM 4562 H2 TIP3 1042 20.588 -16.967 -9.478 1.00 0.00 WAT1 ATOM 4563 OH2 TIP3 1043 25.746 -23.150 -11.870 1.00 0.00 WAT1 ATOM 4564 H1 TIP3 1043 25.922 -23.583 -12.732 1.00 0.00 WAT1 ATOM 4565 H2 TIP3 1043 26.005 -22.216 -12.018 1.00 0.00 WAT1 ATOM 4566 OH2 TIP3 1044 24.044 -22.323 1.613 1.00 0.00 WAT1 ATOM 4567 H1 TIP3 1044 23.557 -21.498 1.400 1.00 0.00 WAT1 ATOM 4568 H2 TIP3 1044 24.853 -22.269 1.068 1.00 0.00 WAT1 ATOM 4569 OH2 TIP3 1045 27.384 -25.918 -11.338 1.00 0.00 WAT1 ATOM 4570 H1 TIP3 1045 28.012 -25.182 -11.234 1.00 0.00 WAT1 ATOM 4571 H2 TIP3 1045 27.328 -26.313 -10.434 1.00 0.00 WAT1 ATOM 4572 OH2 TIP3 1046 31.144 -24.194 -0.609 1.00 0.00 WAT1 ATOM 4573 H1 TIP3 1046 31.362 -25.055 -1.017 1.00 0.00 WAT1 ATOM 4574 H2 TIP3 1046 31.863 -23.615 -0.884 1.00 0.00 WAT1 ATOM 4575 OH2 TIP3 1047 24.739 -26.524 3.083 1.00 0.00 WAT1 ATOM 4576 H1 TIP3 1047 24.817 -25.568 3.308 1.00 0.00 WAT1 ATOM 4577 H2 TIP3 1047 24.174 -26.530 2.272 1.00 0.00 WAT1 ATOM 4578 OH2 TIP3 1048 27.527 -31.147 4.840 1.00 0.00 WAT1 ATOM 4579 H1 TIP3 1048 27.118 -30.439 5.383 1.00 0.00 WAT1 ATOM 4580 H2 TIP3 1048 27.353 -30.868 3.913 1.00 0.00 WAT1 ATOM 4581 OH2 TIP3 1049 23.471 -17.509 -12.772 1.00 0.00 WAT1 ATOM 4582 H1 TIP3 1049 23.762 -18.224 -13.373 1.00 0.00 WAT1 ATOM 4583 H2 TIP3 1049 24.239 -17.338 -12.221 1.00 0.00 WAT1 ATOM 4584 OH2 TIP3 1050 19.461 -15.958 -5.721 1.00 0.00 WAT1 ATOM 4585 H1 TIP3 1050 20.328 -15.494 -5.734 1.00 0.00 WAT1 ATOM 4586 H2 TIP3 1050 19.654 -16.807 -5.270 1.00 0.00 WAT1 ATOM 4587 OH2 TIP3 1051 20.230 -18.366 -4.509 1.00 0.00 WAT1 ATOM 4588 H1 TIP3 1051 19.435 -18.490 -3.959 1.00 0.00 WAT1 ATOM 4589 H2 TIP3 1051 20.865 -19.029 -4.168 1.00 0.00 WAT1 ATOM 4590 OH2 TIP3 1052 22.556 -30.384 3.895 1.00 0.00 WAT1 ATOM 4591 H1 TIP3 1052 23.095 -29.637 4.244 1.00 0.00 WAT1 ATOM 4592 H2 TIP3 1052 22.703 -31.107 4.541 1.00 0.00 WAT1 ATOM 4593 OH2 TIP3 1053 26.388 -17.402 -4.729 1.00 0.00 WAT1 ATOM 4594 H1 TIP3 1053 27.148 -17.450 -4.108 1.00 0.00 WAT1 ATOM 4595 H2 TIP3 1053 26.732 -17.775 -5.545 1.00 0.00 WAT1 ATOM 4596 OH2 TIP3 1054 23.715 -16.816 -4.992 1.00 0.00 WAT1 ATOM 4597 H1 TIP3 1054 23.423 -16.906 -4.054 1.00 0.00 WAT1 ATOM 4598 H2 TIP3 1054 24.691 -16.949 -4.950 1.00 0.00 WAT1 ATOM 4599 OH2 TIP3 1055 25.563 -20.982 -6.944 1.00 0.00 WAT1 ATOM 4600 H1 TIP3 1055 24.634 -20.664 -7.058 1.00 0.00 WAT1 ATOM 4601 H2 TIP3 1055 25.924 -20.977 -7.855 1.00 0.00 WAT1 ATOM 4602 OH2 TIP3 1056 30.209 -30.024 -2.166 1.00 0.00 WAT1 ATOM 4603 H1 TIP3 1056 29.409 -30.533 -2.409 1.00 0.00 WAT1 ATOM 4604 H2 TIP3 1056 29.898 -29.415 -1.460 1.00 0.00 WAT1 ATOM 4605 OH2 TIP3 1057 25.202 -33.424 -4.155 1.00 0.00 WAT1 ATOM 4606 H1 TIP3 1057 25.666 -34.037 -3.569 1.00 0.00 WAT1 ATOM 4607 H2 TIP3 1057 24.602 -34.001 -4.679 1.00 0.00 WAT1 ATOM 4608 OH2 TIP3 1058 32.454 -28.881 -3.267 1.00 0.00 WAT1 ATOM 4609 H1 TIP3 1058 33.126 -29.549 -3.095 1.00 0.00 WAT1 ATOM 4610 H2 TIP3 1058 31.623 -29.278 -2.909 1.00 0.00 WAT1 ATOM 4611 OH2 TIP3 1059 19.466 -18.349 -11.789 1.00 0.00 WAT1 ATOM 4612 H1 TIP3 1059 19.683 -18.148 -10.857 1.00 0.00 WAT1 ATOM 4613 H2 TIP3 1059 19.576 -19.316 -11.854 1.00 0.00 WAT1 ATOM 4614 OH2 TIP3 1060 28.949 -23.235 0.798 1.00 0.00 WAT1 ATOM 4615 H1 TIP3 1060 29.733 -23.356 0.224 1.00 0.00 WAT1 ATOM 4616 H2 TIP3 1060 28.804 -24.119 1.184 1.00 0.00 WAT1 ATOM 4617 OH2 TIP3 1061 26.339 -29.121 6.385 1.00 0.00 WAT1 ATOM 4618 H1 TIP3 1061 25.992 -29.728 7.076 1.00 0.00 WAT1 ATOM 4619 H2 TIP3 1061 26.385 -28.253 6.838 1.00 0.00 WAT1 ATOM 4620 OH2 TIP3 1062 22.136 -28.137 6.873 1.00 0.00 WAT1 ATOM 4621 H1 TIP3 1062 22.310 -28.973 7.361 1.00 0.00 WAT1 ATOM 4622 H2 TIP3 1062 22.801 -28.137 6.157 1.00 0.00 WAT1 ATOM 4623 OH2 TIP3 1063 26.023 -26.731 7.763 1.00 0.00 WAT1 ATOM 4624 H1 TIP3 1063 25.107 -26.466 7.929 1.00 0.00 WAT1 ATOM 4625 H2 TIP3 1063 26.332 -26.100 7.068 1.00 0.00 WAT1 ATOM 4626 OH2 TIP3 1064 26.572 -25.174 5.595 1.00 0.00 WAT1 ATOM 4627 H1 TIP3 1064 25.821 -24.784 5.104 1.00 0.00 WAT1 ATOM 4628 H2 TIP3 1064 27.353 -24.746 5.203 1.00 0.00 WAT1 ATOM 4629 OH2 TIP3 1065 25.131 -23.885 3.592 1.00 0.00 WAT1 ATOM 4630 H1 TIP3 1065 24.626 -23.305 2.973 1.00 0.00 WAT1 ATOM 4631 H2 TIP3 1065 26.061 -23.605 3.476 1.00 0.00 WAT1 ATOM 4632 OH2 TIP3 1066 22.801 -32.468 5.749 1.00 0.00 WAT1 ATOM 4633 H1 TIP3 1066 21.964 -32.968 5.865 1.00 0.00 WAT1 ATOM 4634 H2 TIP3 1066 23.393 -33.106 5.294 1.00 0.00 WAT1 ATOM 4635 OH2 TIP3 1067 24.097 -28.409 4.943 1.00 0.00 WAT1 ATOM 4636 H1 TIP3 1067 24.315 -27.685 4.311 1.00 0.00 WAT1 ATOM 4637 H2 TIP3 1067 24.953 -28.630 5.362 1.00 0.00 WAT1 ATOM 4638 OH2 TIP3 1068 27.919 -23.659 3.507 1.00 0.00 WAT1 ATOM 4639 H1 TIP3 1068 28.310 -24.440 3.065 1.00 0.00 WAT1 ATOM 4640 H2 TIP3 1068 28.243 -22.908 2.986 1.00 0.00 WAT1 ATOM 4641 OH2 TIP3 1069 18.497 -29.393 7.865 1.00 0.00 WAT1 ATOM 4642 H1 TIP3 1069 18.678 -30.330 7.737 1.00 0.00 WAT1 ATOM 4643 H2 TIP3 1069 18.589 -29.260 8.815 1.00 0.00 WAT1 ATOM 4644 OH2 TIP3 1070 26.861 -28.399 9.812 1.00 0.00 WAT1 ATOM 4645 H1 TIP3 1070 27.230 -27.918 10.558 1.00 0.00 WAT1 ATOM 4646 H2 TIP3 1070 26.703 -27.708 9.132 1.00 0.00 WAT1 ATOM 4647 OH2 TIP3 1071 23.180 -7.951 -37.894 1.00 0.00 WAT1 ATOM 4648 H1 TIP3 1071 23.886 -7.510 -38.371 1.00 0.00 WAT1 ATOM 4649 H2 TIP3 1071 22.378 -7.782 -38.442 1.00 0.00 WAT1 ATOM 4650 OH2 TIP3 1072 22.617 -9.422 -35.642 1.00 0.00 WAT1 ATOM 4651 H1 TIP3 1072 22.772 -10.306 -35.998 1.00 0.00 WAT1 ATOM 4652 H2 TIP3 1072 22.844 -8.819 -36.387 1.00 0.00 WAT1 ATOM 4653 OH2 TIP3 1073 21.238 -9.802 -33.365 1.00 0.00 WAT1 ATOM 4654 H1 TIP3 1073 21.739 -9.452 -34.145 1.00 0.00 WAT1 ATOM 4655 H2 TIP3 1073 21.935 -9.954 -32.683 1.00 0.00 WAT1 ATOM 4656 OH2 TIP3 1074 18.907 -9.935 -34.871 1.00 0.00 WAT1 ATOM 4657 H1 TIP3 1074 19.102 -10.764 -35.359 1.00 0.00 WAT1 ATOM 4658 H2 TIP3 1074 19.683 -9.818 -34.283 1.00 0.00 WAT1 ATOM 4659 OH2 TIP3 1075 18.652 -8.353 -38.377 1.00 0.00 WAT1 ATOM 4660 H1 TIP3 1075 18.487 -9.302 -38.195 1.00 0.00 WAT1 ATOM 4661 H2 TIP3 1075 18.477 -7.911 -37.517 1.00 0.00 WAT1 ATOM 4662 OH2 TIP3 1076 21.040 -7.418 -39.484 1.00 0.00 WAT1 ATOM 4663 H1 TIP3 1076 20.300 -7.955 -39.146 1.00 0.00 WAT1 ATOM 4664 H2 TIP3 1076 20.613 -6.602 -39.797 1.00 0.00 WAT1 ATOM 4665 OH2 TIP3 1077 21.866 -12.221 -34.723 1.00 0.00 WAT1 ATOM 4666 H1 TIP3 1077 22.215 -12.920 -34.129 1.00 0.00 WAT1 ATOM 4667 H2 TIP3 1077 21.724 -11.460 -34.137 1.00 0.00 WAT1 ATOM 4668 OH2 TIP3 1078 22.595 -14.148 -32.890 1.00 0.00 WAT1 ATOM 4669 H1 TIP3 1078 21.810 -14.496 -32.413 1.00 0.00 WAT1 ATOM 4670 H2 TIP3 1078 23.186 -13.832 -32.176 1.00 0.00 WAT1 ATOM 4671 OH2 TIP3 1079 23.907 -13.287 -30.597 1.00 0.00 WAT1 ATOM 4672 H1 TIP3 1079 24.814 -13.387 -30.289 1.00 0.00 WAT1 ATOM 4673 H2 TIP3 1079 23.385 -13.879 -30.006 1.00 0.00 WAT1 ATOM 4674 OH2 TIP3 1080 19.871 -10.724 -31.082 1.00 0.00 WAT1 ATOM 4675 H1 TIP3 1080 19.215 -10.066 -30.834 1.00 0.00 WAT1 ATOM 4676 H2 TIP3 1080 20.187 -10.428 -31.959 1.00 0.00 WAT1 ATOM 4677 OH2 TIP3 1081 15.768 -9.868 -13.210 1.00 0.00 WAT1 ATOM 4678 H1 TIP3 1081 15.569 -9.738 -14.164 1.00 0.00 WAT1 ATOM 4679 H2 TIP3 1081 16.132 -10.764 -13.166 1.00 0.00 WAT1 ATOM 4680 OH2 TIP3 1082 18.917 -6.905 -17.542 1.00 0.00 WAT1 ATOM 4681 H1 TIP3 1082 18.837 -6.861 -16.557 1.00 0.00 WAT1 ATOM 4682 H2 TIP3 1082 19.545 -6.203 -17.758 1.00 0.00 WAT1 ATOM 4683 OH2 TIP3 1083 18.545 -13.844 -29.954 1.00 0.00 WAT1 ATOM 4684 H1 TIP3 1083 17.584 -13.929 -29.746 1.00 0.00 WAT1 ATOM 4685 H2 TIP3 1083 18.645 -12.924 -30.241 1.00 0.00 WAT1 ATOM 4686 OH2 TIP3 1084 19.575 -11.150 -18.172 1.00 0.00 WAT1 ATOM 4687 H1 TIP3 1084 19.197 -10.408 -18.684 1.00 0.00 WAT1 ATOM 4688 H2 TIP3 1084 20.471 -11.238 -18.507 1.00 0.00 WAT1 ATOM 4689 OH2 TIP3 1085 19.888 -15.427 -27.944 1.00 0.00 WAT1 ATOM 4690 H1 TIP3 1085 19.188 -15.731 -27.318 1.00 0.00 WAT1 ATOM 4691 H2 TIP3 1085 19.410 -14.849 -28.570 1.00 0.00 WAT1 ATOM 4692 OH2 TIP3 1086 22.736 -10.893 -31.377 1.00 0.00 WAT1 ATOM 4693 H1 TIP3 1086 21.915 -11.035 -30.880 1.00 0.00 WAT1 ATOM 4694 H2 TIP3 1086 23.288 -11.669 -31.153 1.00 0.00 WAT1 ATOM 4695 OH2 TIP3 1087 20.879 -8.210 -9.902 1.00 0.00 WAT1 ATOM 4696 H1 TIP3 1087 20.290 -7.542 -10.268 1.00 0.00 WAT1 ATOM 4697 H2 TIP3 1087 20.909 -8.902 -10.584 1.00 0.00 WAT1 ATOM 4698 OH2 TIP3 1088 20.370 -4.136 -5.003 1.00 0.00 WAT1 ATOM 4699 H1 TIP3 1088 20.750 -4.415 -4.164 1.00 0.00 WAT1 ATOM 4700 H2 TIP3 1088 20.941 -3.420 -5.298 1.00 0.00 WAT1 ATOM 4701 OH2 TIP3 1089 21.790 -10.067 -6.135 1.00 0.00 WAT1 ATOM 4702 H1 TIP3 1089 22.733 -9.882 -6.085 1.00 0.00 WAT1 ATOM 4703 H2 TIP3 1089 21.744 -10.982 -6.512 1.00 0.00 WAT1 ATOM 4704 OH2 TIP3 1090 17.497 -14.119 -5.268 1.00 0.00 WAT1 ATOM 4705 H1 TIP3 1090 17.068 -14.072 -6.150 1.00 0.00 WAT1 ATOM 4706 H2 TIP3 1090 18.229 -14.765 -5.394 1.00 0.00 WAT1 ATOM 4707 OH2 TIP3 1091 18.781 -10.616 -9.884 1.00 0.00 WAT1 ATOM 4708 H1 TIP3 1091 19.138 -10.172 -10.676 1.00 0.00 WAT1 ATOM 4709 H2 TIP3 1091 18.424 -9.877 -9.335 1.00 0.00 WAT1 ATOM 4710 OH2 TIP3 1092 20.357 -7.925 -7.169 1.00 0.00 WAT1 ATOM 4711 H1 TIP3 1092 20.744 -7.973 -8.071 1.00 0.00 WAT1 ATOM 4712 H2 TIP3 1092 20.806 -8.650 -6.679 1.00 0.00 WAT1 ATOM 4713 OH2 TIP3 1093 20.345 -9.996 -12.127 1.00 0.00 WAT1 ATOM 4714 H1 TIP3 1093 19.777 -10.641 -12.614 1.00 0.00 WAT1 ATOM 4715 H2 TIP3 1093 20.948 -9.661 -12.800 1.00 0.00 WAT1 ATOM 4716 OH2 TIP3 1094 21.776 -12.556 -7.175 1.00 0.00 WAT1 ATOM 4717 H1 TIP3 1094 21.442 -12.762 -8.067 1.00 0.00 WAT1 ATOM 4718 H2 TIP3 1094 21.788 -13.421 -6.716 1.00 0.00 WAT1 ATOM 4719 OH2 TIP3 1095 20.123 -10.710 -4.027 1.00 0.00 WAT1 ATOM 4720 H1 TIP3 1095 20.676 -10.441 -4.788 1.00 0.00 WAT1 ATOM 4721 H2 TIP3 1095 20.701 -10.569 -3.249 1.00 0.00 WAT1 ATOM 4722 OH2 TIP3 1096 20.715 -12.589 -9.834 1.00 0.00 WAT1 ATOM 4723 H1 TIP3 1096 21.248 -12.215 -10.547 1.00 0.00 WAT1 ATOM 4724 H2 TIP3 1096 20.029 -11.908 -9.666 1.00 0.00 WAT1 ATOM 4725 OH2 TIP3 1097 21.876 -17.919 -6.696 1.00 0.00 WAT1 ATOM 4726 H1 TIP3 1097 21.213 -18.111 -5.999 1.00 0.00 WAT1 ATOM 4727 H2 TIP3 1097 22.617 -17.494 -6.207 1.00 0.00 WAT1 ATOM 4728 OH2 TIP3 1098 20.279 -15.318 -10.024 1.00 0.00 WAT1 ATOM 4729 H1 TIP3 1098 20.512 -15.508 -10.962 1.00 0.00 WAT1 ATOM 4730 H2 TIP3 1098 20.449 -14.356 -9.926 1.00 0.00 WAT1 END