REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:17-Dec-2009 14:32:41 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -15.249 4.069 -3.854 1.00 21.24 ATOM 2 CB MET 1 -14.197 5.895 -3.478 1.00 72.44 ATOM 3 HB1 MET 1 -14.918 6.450 -4.060 1.00 38.18 ATOM 4 HB2 MET 1 -13.354 5.648 -4.113 1.00 3.24 ATOM 5 CG MET 1 -13.716 6.787 -2.346 1.00 42.11 ATOM 6 HG1 MET 1 -13.107 6.205 -1.668 1.00 38.18 ATOM 7 HG2 MET 1 -14.576 7.164 -1.812 1.00 54.45 ATOM 8 SD MET 1 -12.729 8.179 -2.930 1.00 62.51 ATOM 9 CE MET 1 -13.989 9.440 -3.100 1.00 30.03 ATOM 10 HE1 MET 1 -13.537 10.356 -3.451 1.00 23.35 ATOM 11 HE2 MET 1 -14.456 9.614 -2.142 1.00 45.13 ATOM 12 HE3 MET 1 -14.734 9.111 -3.809 1.00 23.21 ATOM 13 C MET 1 -13.815 3.713 -2.316 1.00 30.33 ATOM 14 O MET 1 -12.629 3.770 -2.636 1.00 64.31 ATOM 15 N MET 1 -15.959 4.894 -2.096 1.00 20.50 ATOM 16 HT1 MET 1 -15.611 5.220 -1.168 1.00 38.18 ATOM 17 HT2 MET 1 -16.543 4.047 -1.957 1.00 38.18 ATOM 18 HT3 MET 1 -16.569 5.639 -2.498 1.00 38.18 ATOM 19 CA MET 1 -14.853 4.598 -2.999 1.00 25.02 ATOM 20 N GLY 2 -14.271 2.894 -1.372 1.00 2.42 ATOM 21 HN GLY 2 -15.223 2.855 -1.156 1.00 38.18 ATOM 22 CA GLY 2 -13.369 2.009 -0.658 1.00 43.43 ATOM 23 HA1 GLY 2 -13.844 1.709 0.265 1.00 38.18 ATOM 24 HA2 GLY 2 -12.453 2.536 -0.419 1.00 51.34 ATOM 25 C GLY 2 -13.027 0.765 -1.454 1.00 14.20 ATOM 26 O GLY 2 -13.182 0.738 -2.675 1.00 53.44 ATOM 27 N HIS 3 -12.560 -0.269 -0.761 1.00 42.43 ATOM 28 HN HIS 3 -12.470 -0.197 0.219 1.00 38.18 ATOM 29 CA HIS 3 -12.194 -1.522 -1.412 1.00 33.04 ATOM 30 HA HIS 3 -12.023 -1.336 -2.469 1.00 2.25 ATOM 31 CB HIS 3 -10.906 -2.079 -0.805 1.00 42.34 ATOM 32 HB1 HIS 3 -10.778 -3.112 -1.105 1.00 38.18 ATOM 33 HB2 HIS 3 -10.971 -2.030 0.272 1.00 50.35 ATOM 34 CG HIS 3 -9.676 -1.334 -1.224 1.00 50.43 ATOM 35 ND1 HIS 3 -9.140 -0.294 -0.494 1.00 35.04 ATOM 36 HD1 HIS 3 -9.496 0.057 0.349 1.00 71.34 ATOM 37 CD2 HIS 3 -8.875 -1.484 -2.305 1.00 50.31 ATOM 38 HD2 HIS 3 -8.995 -2.211 -3.096 1.00 1.11 ATOM 39 CE1 HIS 3 -8.064 0.164 -1.108 1.00 13.33 ATOM 40 HE1 HIS 3 -7.439 0.976 -0.767 1.00 62.44 ATOM 41 NE2 HIS 3 -7.881 -0.541 -2.209 1.00 51.03 ATOM 42 HE2 HIS 3 -7.208 -0.351 -2.896 1.00 38.18 ATOM 43 C HIS 3 -13.316 -2.548 -1.283 1.00 20.23 ATOM 44 O HIS 3 -13.344 -3.337 -0.337 1.00 54.41 ATOM 45 N HIS 4 -14.239 -2.532 -2.239 1.00 71.11 ATOM 46 HN HIS 4 -14.159 -1.887 -2.982 1.00 38.18 ATOM 47 CA HIS 4 -15.363 -3.461 -2.232 1.00 74.41 ATOM 48 HA HIS 4 -15.492 -3.857 -1.230 1.00 25.43 ATOM 49 CB HIS 4 -16.649 -2.742 -2.642 1.00 71.50 ATOM 50 HB1 HIS 4 -17.407 -3.466 -2.916 1.00 38.18 ATOM 51 HB2 HIS 4 -16.446 -2.109 -3.494 1.00 1.55 ATOM 52 CG HIS 4 -17.230 -1.889 -1.557 1.00 32.31 ATOM 53 ND1 HIS 4 -17.663 -2.398 -0.350 1.00 53.54 ATOM 54 HD1 HIS 4 -17.638 -3.341 -0.084 1.00 21.02 ATOM 55 CD2 HIS 4 -17.447 -0.554 -1.501 1.00 32.42 ATOM 56 HD2 HIS 4 -17.224 0.165 -2.277 1.00 51.25 ATOM 57 CE1 HIS 4 -18.123 -1.412 0.400 1.00 31.42 ATOM 58 HE1 HIS 4 -18.527 -1.512 1.397 1.00 20.31 ATOM 59 NE2 HIS 4 -18.003 -0.283 -0.275 1.00 22.34 ATOM 60 HE2 HIS 4 -18.181 0.611 0.084 1.00 38.18 ATOM 61 C HIS 4 -15.103 -4.637 -3.170 1.00 3.45 ATOM 62 O HIS 4 -16.034 -5.214 -3.732 1.00 22.14 ATOM 63 N HIS 5 -13.830 -4.985 -3.334 1.00 75.12 ATOM 64 HN HIS 5 -13.119 -4.525 -2.851 1.00 38.18 ATOM 65 CA HIS 5 -13.447 -6.092 -4.204 1.00 14.41 ATOM 66 HA HIS 5 -14.329 -6.460 -4.721 1.00 12.33 ATOM 67 CB HIS 5 -12.443 -5.618 -5.255 1.00 2.13 ATOM 68 HB1 HIS 5 -12.030 -6.475 -5.774 1.00 38.18 ATOM 69 HB2 HIS 5 -11.643 -5.086 -4.762 1.00 25.14 ATOM 70 CG HIS 5 -13.039 -4.711 -6.287 1.00 63.22 ATOM 71 ND1 HIS 5 -14.140 -5.053 -7.044 1.00 22.04 ATOM 72 HD1 HIS 5 -14.633 -5.898 -6.989 1.00 23.35 ATOM 73 CD2 HIS 5 -12.682 -3.468 -6.686 1.00 4.13 ATOM 74 HD2 HIS 5 -11.856 -2.885 -6.303 1.00 3.01 ATOM 75 CE1 HIS 5 -14.433 -4.060 -7.864 1.00 11.01 ATOM 76 HE1 HIS 5 -15.246 -4.046 -8.574 1.00 24.02 ATOM 77 NE2 HIS 5 -13.563 -3.086 -7.666 1.00 55.44 ATOM 78 HE2 HIS 5 -13.606 -2.198 -8.078 1.00 38.18 ATOM 79 C HIS 5 -12.851 -7.238 -3.393 1.00 70.44 ATOM 80 O HIS 5 -11.749 -7.125 -2.856 1.00 63.12 ATOM 81 N HIS 6 -13.587 -8.342 -3.309 1.00 21.24 ATOM 82 HN HIS 6 -14.458 -8.383 -3.772 1.00 38.18 ATOM 83 CA HIS 6 -13.131 -9.510 -2.563 1.00 45.12 ATOM 84 HA HIS 6 -12.536 -9.170 -1.721 1.00 3.43 ATOM 85 CB HIS 6 -14.326 -10.293 -2.020 1.00 23.35 ATOM 86 HB1 HIS 6 -14.986 -9.613 -1.500 1.00 38.18 ATOM 87 HB2 HIS 6 -13.971 -11.041 -1.327 1.00 23.44 ATOM 88 CG HIS 6 -15.118 -10.991 -3.082 1.00 51.20 ATOM 89 ND1 HIS 6 -14.761 -12.215 -3.606 1.00 24.34 ATOM 90 HD1 HIS 6 -13.976 -12.741 -3.347 1.00 12.35 ATOM 91 CD2 HIS 6 -16.257 -10.629 -3.718 1.00 20.31 ATOM 92 HD2 HIS 6 -16.820 -9.721 -3.557 1.00 30.14 ATOM 93 CE1 HIS 6 -15.644 -12.576 -4.519 1.00 34.11 ATOM 94 HE1 HIS 6 -15.620 -13.489 -5.095 1.00 61.30 ATOM 95 NE2 HIS 6 -16.563 -11.631 -4.606 1.00 31.11 ATOM 96 HE2 HIS 6 -17.282 -11.602 -5.271 1.00 38.18 ATOM 97 C HIS 6 -12.272 -10.414 -3.442 1.00 61.23 ATOM 98 O HIS 6 -12.541 -10.577 -4.633 1.00 0.10 ATOM 99 N HIS 7 -11.237 -11.000 -2.848 1.00 50.21 ATOM 100 HN HIS 7 -11.066 -10.823 -1.892 1.00 38.18 ATOM 101 CA HIS 7 -10.339 -11.888 -3.577 1.00 44.45 ATOM 102 HA HIS 7 -10.942 -12.576 -4.160 1.00 75.00 ATOM 103 CB HIS 7 -9.452 -11.082 -4.528 1.00 30.22 ATOM 104 HB1 HIS 7 -10.083 -10.528 -5.208 1.00 38.18 ATOM 105 HB2 HIS 7 -8.830 -11.759 -5.098 1.00 30.12 ATOM 106 CG HIS 7 -8.560 -10.103 -3.829 1.00 42.11 ATOM 107 ND1 HIS 7 -9.028 -8.952 -3.231 1.00 20.10 ATOM 108 HD1 HIS 7 -9.964 -8.662 -3.202 1.00 52.01 ATOM 109 CD2 HIS 7 -7.220 -10.109 -3.634 1.00 15.35 ATOM 110 HD2 HIS 7 -6.526 -10.867 -3.970 1.00 70.23 ATOM 111 CE1 HIS 7 -8.015 -8.291 -2.699 1.00 71.52 ATOM 112 HE1 HIS 7 -8.082 -7.354 -2.166 1.00 1.43 ATOM 113 NE2 HIS 7 -6.907 -8.972 -2.929 1.00 61.42 ATOM 114 HE2 HIS 7 -6.001 -8.663 -2.720 1.00 38.18 ATOM 115 C HIS 7 -9.472 -12.694 -2.615 1.00 1.01 ATOM 116 O HIS 7 -9.137 -12.227 -1.526 1.00 23.44 ATOM 117 N HIS 8 -9.113 -13.907 -3.024 1.00 2.24 ATOM 118 HN HIS 8 -9.399 -14.224 -3.914 1.00 38.18 ATOM 119 CA HIS 8 -8.285 -14.778 -2.197 1.00 72.21 ATOM 120 HA HIS 8 -8.403 -14.488 -1.156 1.00 63.52 ATOM 121 CB HIS 8 -8.730 -16.233 -2.348 1.00 72.24 ATOM 122 HB1 HIS 8 -7.986 -16.889 -1.911 1.00 38.18 ATOM 123 HB2 HIS 8 -8.831 -16.464 -3.398 1.00 4.14 ATOM 124 CG HIS 8 -10.040 -16.531 -1.686 1.00 53.24 ATOM 125 ND1 HIS 8 -10.149 -17.291 -0.541 1.00 12.52 ATOM 126 HD1 HIS 8 -9.405 -17.705 -0.055 1.00 15.15 ATOM 127 CD2 HIS 8 -11.301 -16.164 -2.014 1.00 73.45 ATOM 128 HD2 HIS 8 -11.592 -15.558 -2.860 1.00 72.42 ATOM 129 CE1 HIS 8 -11.421 -17.380 -0.194 1.00 22.21 ATOM 130 HE1 HIS 8 -11.806 -17.913 0.663 1.00 43.23 ATOM 131 NE2 HIS 8 -12.141 -16.705 -1.072 1.00 23.04 ATOM 132 HE2 HIS 8 -13.120 -16.689 -1.106 1.00 38.18 ATOM 133 C HIS 8 -6.812 -14.643 -2.571 1.00 11.13 ATOM 134 O HIS 8 -6.473 -14.444 -3.737 1.00 74.13 ATOM 135 N SER 9 -5.941 -14.751 -1.573 1.00 30.24 ATOM 136 HN SER 9 -6.270 -14.909 -0.657 1.00 38.18 ATOM 137 CA SER 9 -4.505 -14.636 -1.796 1.00 24.31 ATOM 138 HA SER 9 -4.327 -14.223 -2.782 1.00 74.41 ATOM 139 CB SER 9 -3.880 -13.695 -0.764 1.00 55.43 ATOM 140 HB1 SER 9 -4.192 -13.993 0.227 1.00 38.18 ATOM 141 HB2 SER 9 -4.211 -12.685 -0.956 1.00 51.51 ATOM 142 OG SER 9 -2.465 -13.729 -0.832 1.00 75.52 ATOM 143 HG SER 9 -2.127 -14.406 -0.240 1.00 52.33 ATOM 144 C SER 9 -3.833 -16.004 -1.725 1.00 24.23 ATOM 145 O SER 9 -2.909 -16.295 -2.485 1.00 24.21 ATOM 146 N HIS 10 -4.304 -16.841 -0.805 1.00 43.24 ATOM 147 HN HIS 10 -5.027 -16.563 -0.203 1.00 38.18 ATOM 148 CA HIS 10 -3.750 -18.179 -0.634 1.00 24.21 ATOM 149 HA HIS 10 -4.236 -18.626 0.222 1.00 61.32 ATOM 150 CB HIS 10 -4.037 -19.035 -1.868 1.00 1.10 ATOM 151 HB1 HIS 10 -3.337 -18.802 -2.660 1.00 38.18 ATOM 152 HB2 HIS 10 -5.037 -18.818 -2.217 1.00 41.15 ATOM 153 CG HIS 10 -3.971 -20.508 -1.604 1.00 41.31 ATOM 154 ND1 HIS 10 -4.815 -21.418 -2.203 1.00 74.33 ATOM 155 HD1 HIS 10 -5.525 -21.204 -2.844 1.00 41.20 ATOM 156 CD2 HIS 10 -3.153 -21.227 -0.801 1.00 21.50 ATOM 157 HD2 HIS 10 -2.362 -20.839 -0.177 1.00 3.32 ATOM 158 CE1 HIS 10 -4.521 -22.634 -1.779 1.00 21.11 ATOM 159 HE1 HIS 10 -5.017 -23.545 -2.079 1.00 51.52 ATOM 160 NE2 HIS 10 -3.515 -22.546 -0.927 1.00 51.03 ATOM 161 HE2 HIS 10 -3.163 -23.287 -0.390 1.00 38.18 ATOM 162 C HIS 10 -2.246 -18.117 -0.383 1.00 11.45 ATOM 163 O HIS 10 -1.436 -18.531 -1.211 1.00 63.35 ATOM 164 N PRO 11 -1.863 -17.585 0.788 1.00 62.21 ATOM 165 CA PRO 11 -0.455 -17.456 1.175 1.00 0.42 ATOM 166 HA PRO 11 0.116 -16.934 0.419 1.00 72.11 ATOM 167 CB PRO 11 -0.514 -16.608 2.448 1.00 0.33 ATOM 168 HB1 PRO 11 -0.387 -15.567 2.193 1.00 38.18 ATOM 169 HB2 PRO 11 0.246 -16.903 3.142 1.00 55.00 ATOM 170 CG PRO 11 -1.872 -16.858 3.007 1.00 0.34 ATOM 171 HG1 PRO 11 -2.198 -16.001 3.577 1.00 38.18 ATOM 172 HG2 PRO 11 -1.856 -17.740 3.630 1.00 32.12 ATOM 173 CD PRO 11 -2.774 -17.071 1.824 1.00 54.34 ATOM 174 HD1 PRO 11 -3.221 -16.137 1.517 1.00 38.18 ATOM 175 HD2 PRO 11 -3.537 -17.795 2.067 1.00 20.32 ATOM 176 C PRO 11 0.194 -18.805 1.464 1.00 74.23 ATOM 177 O PRO 11 -0.493 -19.788 1.739 1.00 11.01 ATOM 178 N ASN 12 1.520 -18.845 1.399 1.00 45.22 ATOM 179 HN ASN 12 2.016 -18.020 1.177 1.00 38.18 ATOM 180 CA ASN 12 2.262 -20.075 1.653 1.00 13.22 ATOM 181 HA ASN 12 1.881 -20.842 0.988 1.00 22.15 ATOM 182 CB ASN 12 3.750 -19.866 1.368 1.00 4.00 ATOM 183 HB1 ASN 12 4.297 -20.758 1.649 1.00 38.18 ATOM 184 HB2 ASN 12 4.106 -19.034 1.958 1.00 3.33 ATOM 185 CG ASN 12 4.022 -19.563 -0.093 1.00 23.31 ATOM 186 OD1 ASN 12 3.409 -18.671 -0.678 1.00 53.20 ATOM 187 ND2 ASN 12 4.946 -20.308 -0.689 1.00 41.02 ATOM 188 HD21 ASN 12 5.406 -21.009 -0.174 1.00 23.32 ATOM 189 HD22 ASN 12 5.136 -20.127 -1.633 1.00 63.23 ATOM 190 C ASN 12 2.069 -20.538 3.094 1.00 74.21 ATOM 191 O ASN 12 1.714 -19.748 3.968 1.00 51.13 ATOM 192 N GLU 13 2.305 -21.824 3.333 1.00 63.41 ATOM 193 HN GLU 13 2.583 -22.410 2.588 1.00 38.18 ATOM 194 CA GLU 13 2.157 -22.392 4.668 1.00 70.53 ATOM 195 HA GLU 13 1.122 -22.364 4.928 1.00 42.22 ATOM 196 CB GLU 13 2.633 -23.847 4.683 1.00 52.40 ATOM 197 HB1 GLU 13 3.679 -23.870 4.403 1.00 38.18 ATOM 198 HB2 GLU 13 2.063 -24.403 3.951 1.00 64.41 ATOM 199 CG GLU 13 2.465 -24.528 6.031 1.00 51.13 ATOM 200 HG1 GLU 13 1.471 -24.948 6.079 1.00 38.18 ATOM 201 HG2 GLU 13 2.587 -23.817 6.834 1.00 24.24 ATOM 202 CD GLU 13 3.462 -25.649 6.246 1.00 64.52 ATOM 203 OE1 GLU 13 3.821 -26.322 5.256 1.00 51.40 ATOM 204 OE2 GLU 13 3.884 -25.855 7.403 1.00 63.42 ATOM 205 C GLU 13 2.939 -21.579 5.695 1.00 31.11 ATOM 206 O GLU 13 2.459 -21.331 6.800 1.00 14.05 ATOM 207 N GLU 14 4.147 -21.168 5.321 1.00 74.10 ATOM 208 HN GLU 14 4.482 -21.398 4.422 1.00 38.18 ATOM 209 CA GLU 14 4.996 -20.384 6.210 1.00 35.35 ATOM 210 HA GLU 14 5.016 -20.882 7.172 1.00 35.43 ATOM 211 CB GLU 14 6.419 -20.305 5.654 1.00 11.05 ATOM 212 HB1 GLU 14 6.557 -19.364 5.135 1.00 38.18 ATOM 213 HB2 GLU 14 6.568 -21.105 4.938 1.00 0.52 ATOM 214 CG GLU 14 7.496 -20.408 6.721 1.00 33.04 ATOM 215 HG1 GLU 14 7.134 -19.982 7.648 1.00 38.18 ATOM 216 HG2 GLU 14 8.359 -19.849 6.389 1.00 50.14 ATOM 217 CD GLU 14 7.927 -21.839 6.979 1.00 40.23 ATOM 218 OE1 GLU 14 7.073 -22.744 6.877 1.00 11.14 ATOM 219 OE2 GLU 14 9.120 -22.053 7.281 1.00 13.13 ATOM 220 C GLU 14 4.433 -18.979 6.401 1.00 50.45 ATOM 221 O GLU 14 4.479 -18.424 7.498 1.00 55.51 ATOM 222 N ALA 15 3.903 -18.409 5.323 1.00 43.10 ATOM 223 HN ALA 15 3.910 -18.892 4.463 1.00 38.18 ATOM 224 CA ALA 15 3.331 -17.069 5.370 1.00 33.35 ATOM 225 HA ALA 15 4.127 -16.372 5.594 1.00 14.14 ATOM 226 CB ALA 15 2.747 -16.697 4.016 1.00 55.31 ATOM 227 HB1 ALA 15 2.240 -15.743 4.079 1.00 65.25 ATOM 228 HB2 ALA 15 2.055 -17.453 3.707 1.00 73.35 ATOM 229 HB3 ALA 15 3.545 -16.628 3.292 1.00 4.32 ATOM 230 C ALA 15 2.264 -16.966 6.455 1.00 32.52 ATOM 231 O ALA 15 2.286 -16.049 7.275 1.00 14.34 ATOM 232 N ARG 16 1.331 -17.913 6.453 1.00 62.30 ATOM 233 HN ARG 16 1.367 -18.610 5.760 1.00 38.18 ATOM 234 CA ARG 16 0.255 -17.928 7.436 1.00 13.50 ATOM 235 HA ARG 16 -0.174 -16.935 7.487 1.00 60.20 ATOM 236 CB ARG 16 -0.838 -18.911 7.013 1.00 22.42 ATOM 237 HB1 ARG 16 -1.266 -18.570 6.081 1.00 38.18 ATOM 238 HB2 ARG 16 -1.614 -18.919 7.769 1.00 13.21 ATOM 239 CG ARG 16 -0.334 -20.331 6.810 1.00 44.34 ATOM 240 HG1 ARG 16 0.250 -20.637 7.661 1.00 38.18 ATOM 241 HG2 ARG 16 0.279 -20.364 5.924 1.00 35.23 ATOM 242 CD ARG 16 -1.484 -21.313 6.653 1.00 24.43 ATOM 243 HD1 ARG 16 -2.408 -20.783 6.454 1.00 38.18 ATOM 244 HD2 ARG 16 -1.599 -21.854 7.571 1.00 34.31 ATOM 245 NE ARG 16 -1.240 -22.275 5.581 1.00 13.41 ATOM 246 HE ARG 16 -0.903 -23.161 5.838 1.00 42.23 ATOM 247 CZ ARG 16 -1.450 -22.011 4.296 1.00 4.21 ATOM 248 NH1 ARG 16 -1.903 -20.821 3.926 1.00 73.45 ATOM 249 HH11 ARG 16 -2.092 -20.102 4.590 1.00 0.25 ATOM 250 HH12 ARG 16 -2.061 -20.634 2.954 1.00 1.11 ATOM 251 NH2 ARG 16 -1.204 -22.938 3.379 1.00 54.42 ATOM 252 HH21 ARG 16 -0.860 -23.838 3.653 1.00 31.34 ATOM 253 HH22 ARG 16 -1.362 -22.742 2.409 1.00 34.33 ATOM 254 C ARG 16 0.785 -18.302 8.817 1.00 15.11 ATOM 255 O ARG 16 0.284 -17.824 9.836 1.00 23.24 ATOM 256 N LEU 17 1.799 -19.159 8.843 1.00 32.33 ATOM 257 HN LEU 17 2.151 -19.525 7.998 1.00 38.18 ATOM 258 CA LEU 17 2.397 -19.599 10.099 1.00 11.22 ATOM 259 HA LEU 17 1.624 -20.063 10.696 1.00 31.34 ATOM 260 CB LEU 17 3.496 -20.628 9.831 1.00 62.02 ATOM 261 HB1 LEU 17 4.093 -20.270 9.009 1.00 38.18 ATOM 262 HB2 LEU 17 3.019 -21.550 9.527 1.00 62.34 ATOM 263 CG LEU 17 4.433 -20.930 11.001 1.00 62.12 ATOM 264 HG LEU 17 4.965 -20.036 11.272 1.00 20.35 ATOM 265 CD1 LEU 17 3.641 -21.396 12.213 1.00 51.25 ATOM 266 HD11 LEU 17 4.324 -21.559 13.033 1.00 50.20 ATOM 267 HD12 LEU 17 3.131 -22.321 11.983 1.00 5.25 ATOM 268 HD13 LEU 17 2.916 -20.655 12.502 1.00 3.12 ATOM 269 CD2 LEU 17 5.465 -21.975 10.602 1.00 72.31 ATOM 270 HD21 LEU 17 4.967 -22.896 10.331 1.00 20.24 ATOM 271 HD22 LEU 17 6.134 -22.160 11.431 1.00 74.22 ATOM 272 HD23 LEU 17 6.037 -21.615 9.758 1.00 21.22 ATOM 273 C LEU 17 2.970 -18.416 10.873 1.00 41.32 ATOM 274 O LEU 17 2.868 -18.354 12.098 1.00 33.21 ATOM 275 N ASP 18 3.571 -17.478 10.149 1.00 2.21 ATOM 276 HN ASP 18 3.643 -17.588 9.171 1.00 38.18 ATOM 277 CA ASP 18 4.158 -16.294 10.767 1.00 71.22 ATOM 278 HA ASP 18 4.979 -16.624 11.392 1.00 74.11 ATOM 279 CB ASP 18 4.690 -15.343 9.694 1.00 60.35 ATOM 280 HB1 ASP 18 3.870 -14.794 9.247 1.00 38.18 ATOM 281 HB2 ASP 18 5.183 -15.922 8.925 1.00 20.25 ATOM 282 CG ASP 18 5.694 -14.351 10.246 1.00 50.42 ATOM 283 OD1 ASP 18 6.657 -14.788 10.909 1.00 63.32 ATOM 284 OD2 ASP 18 5.516 -13.136 10.016 1.00 51.12 ATOM 285 C ASP 18 3.136 -15.574 11.641 1.00 74.05 ATOM 286 O ASP 18 3.458 -15.109 12.734 1.00 13.32 ATOM 287 N ILE 19 1.904 -15.485 11.150 1.00 31.23 ATOM 288 HN ILE 19 1.703 -15.892 10.276 1.00 38.18 ATOM 289 CA ILE 19 0.835 -14.822 11.887 1.00 42.34 ATOM 290 HA ILE 19 1.138 -13.798 12.072 1.00 54.13 ATOM 291 CB ILE 19 -0.476 -14.800 11.079 1.00 60.51 ATOM 292 HB ILE 19 -0.776 -15.824 10.897 1.00 51.34 ATOM 293 CG1 ILE 19 -0.264 -14.090 9.740 1.00 35.04 ATOM 294 HG11 ILE 19 0.677 -14.386 9.302 1.00 38.18 ATOM 295 HG12 ILE 19 -0.251 -13.020 9.893 1.00 10.03 ATOM 296 CG2 ILE 19 -1.579 -14.121 11.877 1.00 62.01 ATOM 297 HG21 ILE 19 -1.870 -14.748 12.703 1.00 2.41 ATOM 298 HG22 ILE 19 -2.442 -13.959 11.245 1.00 44.24 ATOM 299 HG23 ILE 19 -1.231 -13.168 12.253 1.00 63.52 ATOM 300 CD1 ILE 19 -1.338 -14.393 8.719 1.00 34.11 ATOM 301 HD11 ILE 19 -1.084 -13.922 7.781 1.00 1.23 ATOM 302 HD12 ILE 19 -2.286 -14.010 9.067 1.00 72.54 ATOM 303 HD13 ILE 19 -1.412 -15.461 8.576 1.00 30.23 ATOM 304 C ILE 19 0.583 -15.506 13.226 1.00 61.12 ATOM 305 O ILE 19 0.533 -14.854 14.269 1.00 4.44 ATOM 306 N LEU 20 0.426 -16.825 13.190 1.00 43.34 ATOM 307 HN LEU 20 0.474 -17.293 12.322 1.00 38.18 ATOM 308 CA LEU 20 0.181 -17.600 14.401 1.00 3.41 ATOM 309 HA LEU 20 -0.725 -17.227 14.862 1.00 72.13 ATOM 310 CB LEU 20 -0.007 -19.078 14.055 1.00 15.33 ATOM 311 HB1 LEU 20 0.192 -19.667 14.945 1.00 38.18 ATOM 312 HB2 LEU 20 0.749 -19.336 13.322 1.00 44.53 ATOM 313 CG LEU 20 -1.382 -19.470 13.513 1.00 53.11 ATOM 314 HG LEU 20 -1.929 -18.585 13.248 1.00 12.22 ATOM 315 CD1 LEU 20 -1.239 -20.318 12.258 1.00 12.54 ATOM 316 HD11 LEU 20 -0.694 -19.764 11.507 1.00 12.45 ATOM 317 HD12 LEU 20 -2.219 -20.566 11.874 1.00 52.32 ATOM 318 HD13 LEU 20 -0.704 -21.229 12.491 1.00 73.20 ATOM 319 CD2 LEU 20 -2.182 -20.214 14.573 1.00 45.50 ATOM 320 HD21 LEU 20 -1.690 -21.147 14.812 1.00 73.24 ATOM 321 HD22 LEU 20 -3.176 -20.418 14.200 1.00 13.34 ATOM 322 HD23 LEU 20 -2.254 -19.612 15.465 1.00 45.22 ATOM 323 C LEU 20 1.330 -17.440 15.391 1.00 5.03 ATOM 324 O LEU 20 1.112 -17.240 16.586 1.00 33.34 ATOM 325 N LYS 21 2.556 -17.527 14.886 1.00 23.21 ATOM 326 HN LYS 21 2.671 -17.704 13.922 1.00 38.18 ATOM 327 CA LYS 21 3.741 -17.389 15.724 1.00 24.12 ATOM 328 HA LYS 21 3.772 -18.231 16.401 1.00 42.42 ATOM 329 CB LYS 21 5.004 -17.383 14.860 1.00 4.01 ATOM 330 HB1 LYS 21 5.806 -16.884 15.393 1.00 38.18 ATOM 331 HB2 LYS 21 4.800 -16.835 13.949 1.00 61.51 ATOM 332 CG LYS 21 5.494 -18.772 14.489 1.00 2.00 ATOM 333 HG1 LYS 21 4.671 -19.326 14.055 1.00 38.18 ATOM 334 HG2 LYS 21 5.820 -19.273 15.390 1.00 52.12 ATOM 335 CD LYS 21 6.626 -18.712 13.477 1.00 73.25 ATOM 336 HD1 LYS 21 6.836 -17.684 13.205 1.00 38.18 ATOM 337 HD2 LYS 21 6.331 -19.255 12.598 1.00 73.04 ATOM 338 CE LYS 21 7.896 -19.345 14.023 1.00 44.12 ATOM 339 HE1 LYS 21 8.486 -19.694 13.188 1.00 38.18 ATOM 340 HE2 LYS 21 7.649 -20.188 14.655 1.00 54.53 ATOM 341 NZ LYS 21 8.709 -18.372 14.804 1.00 13.24 ATOM 342 HZ1 LYS 21 8.162 -18.011 15.614 1.00 13.41 ATOM 343 HZ2 LYS 21 8.990 -17.569 14.203 1.00 5.45 ATOM 344 HZ3 LYS 21 9.569 -18.836 15.162 1.00 15.40 ATOM 345 C LYS 21 3.675 -16.111 16.555 1.00 74.43 ATOM 346 O LYS 21 3.995 -16.116 17.744 1.00 51.44 ATOM 347 N ILE 22 3.256 -15.021 15.922 1.00 53.14 ATOM 348 HN ILE 22 3.004 -15.080 14.971 1.00 38.18 ATOM 349 CA ILE 22 3.145 -13.737 16.603 1.00 33.45 ATOM 350 HA ILE 22 4.102 -13.512 17.061 1.00 32.12 ATOM 351 CB ILE 22 2.802 -12.604 15.618 1.00 22.33 ATOM 352 HB ILE 22 1.849 -12.835 15.159 1.00 2.52 ATOM 353 CG1 ILE 22 3.876 -12.500 14.533 1.00 32.52 ATOM 354 HG11 ILE 22 4.212 -13.479 14.239 1.00 38.18 ATOM 355 HG12 ILE 22 4.725 -11.950 14.915 1.00 41.53 ATOM 356 CG2 ILE 22 2.661 -11.283 16.359 1.00 33.12 ATOM 357 HG21 ILE 22 3.534 -11.111 16.975 1.00 3.45 ATOM 358 HG22 ILE 22 1.779 -11.300 16.980 1.00 4.44 ATOM 359 HG23 ILE 22 2.567 -10.474 15.646 1.00 13.44 ATOM 360 CD1 ILE 22 3.404 -11.793 13.282 1.00 20.11 ATOM 361 HD11 ILE 22 3.121 -10.780 13.525 1.00 72.22 ATOM 362 HD12 ILE 22 2.553 -12.315 12.872 1.00 12.23 ATOM 363 HD13 ILE 22 4.202 -11.778 12.554 1.00 34.11 ATOM 364 C ILE 22 2.081 -13.785 17.695 1.00 24.35 ATOM 365 O ILE 22 2.360 -13.502 18.861 1.00 11.41 ATOM 366 N HIS 23 0.862 -14.148 17.311 1.00 52.22 ATOM 367 HN HIS 23 0.700 -14.363 16.361 1.00 38.18 ATOM 368 CA HIS 23 -0.244 -14.236 18.258 1.00 50.41 ATOM 369 HA HIS 23 -0.413 -13.248 18.668 1.00 5.10 ATOM 370 CB HIS 23 -1.513 -14.710 17.550 1.00 54.13 ATOM 371 HB1 HIS 23 -2.256 -15.004 18.282 1.00 38.18 ATOM 372 HB2 HIS 23 -1.263 -15.561 16.937 1.00 3.33 ATOM 373 CG HIS 23 -2.131 -13.670 16.667 1.00 41.52 ATOM 374 ND1 HIS 23 -2.378 -12.379 17.084 1.00 50.30 ATOM 375 HD1 HIS 23 -2.183 -12.018 17.974 1.00 45.34 ATOM 376 CD2 HIS 23 -2.550 -13.735 15.382 1.00 54.25 ATOM 377 HD2 HIS 23 -2.518 -14.604 14.744 1.00 20.00 ATOM 378 CE1 HIS 23 -2.924 -11.695 16.094 1.00 33.41 ATOM 379 HE1 HIS 23 -3.224 -10.658 16.132 1.00 73.24 ATOM 380 NE2 HIS 23 -3.039 -12.495 15.049 1.00 33.33 ATOM 381 HE2 HIS 23 -3.322 -12.217 14.153 1.00 38.18 ATOM 382 C HIS 23 0.097 -15.182 19.405 1.00 72.42 ATOM 383 O HIS 23 -0.385 -15.015 20.525 1.00 1.31 ATOM 384 N SER 24 0.929 -16.178 19.117 1.00 44.44 ATOM 385 HN SER 24 1.268 -16.288 18.200 1.00 38.18 ATOM 386 CA SER 24 1.331 -17.154 20.123 1.00 51.14 ATOM 387 HA SER 24 0.482 -17.359 20.764 1.00 1.12 ATOM 388 CB SER 24 1.760 -18.461 19.453 1.00 52.11 ATOM 389 HB1 SER 24 1.011 -18.749 18.729 1.00 38.18 ATOM 390 HB2 SER 24 1.846 -19.227 20.187 1.00 33.44 ATOM 391 OG SER 24 2.998 -18.307 18.781 1.00 74.25 ATOM 392 HG SER 24 3.723 -18.477 19.386 1.00 64.43 ATOM 393 C SER 24 2.469 -16.612 20.982 1.00 44.04 ATOM 394 O SER 24 2.600 -16.965 22.154 1.00 74.22 ATOM 395 N ARG 25 3.291 -15.752 20.389 1.00 25.02 ATOM 396 HN ARG 25 3.163 -15.531 19.442 1.00 38.18 ATOM 397 CA ARG 25 4.420 -15.162 21.099 1.00 41.44 ATOM 398 HA ARG 25 5.048 -15.968 21.460 1.00 12.12 ATOM 399 CB ARG 25 5.230 -14.268 20.157 1.00 25.35 ATOM 400 HB1 ARG 25 5.684 -13.462 20.722 1.00 38.18 ATOM 401 HB2 ARG 25 4.572 -13.839 19.421 1.00 50.03 ATOM 402 CG ARG 25 6.349 -15.001 19.435 1.00 73.44 ATOM 403 HG1 ARG 25 5.977 -15.934 19.042 1.00 38.18 ATOM 404 HG2 ARG 25 7.139 -15.202 20.144 1.00 64.44 ATOM 405 CD ARG 25 6.911 -14.171 18.291 1.00 74.51 ATOM 406 HD1 ARG 25 6.862 -13.118 18.547 1.00 38.18 ATOM 407 HD2 ARG 25 6.314 -14.351 17.409 1.00 63.43 ATOM 408 NE ARG 25 8.300 -14.513 17.998 1.00 1.21 ATOM 409 HE ARG 25 8.731 -15.207 18.549 1.00 35.30 ATOM 410 CZ ARG 25 9.010 -13.940 17.032 1.00 33.03 ATOM 411 NH1 ARG 25 8.463 -13.002 16.271 1.00 63.54 ATOM 412 HH11 ARG 25 7.517 -12.710 16.406 1.00 31.15 ATOM 413 HH12 ARG 25 9.005 -12.574 15.544 1.00 42.23 ATOM 414 NH2 ARG 25 10.269 -14.304 16.827 1.00 30.53 ATOM 415 HH21 ARG 25 10.688 -15.012 17.399 1.00 44.23 ATOM 416 HH22 ARG 25 10.806 -13.873 16.099 1.00 21.02 ATOM 417 C ARG 25 3.943 -14.352 22.301 1.00 42.33 ATOM 418 O ARG 25 4.675 -14.177 23.275 1.00 1.51 ATOM 419 N LYS 26 2.711 -13.859 22.225 1.00 64.33 ATOM 420 HN LYS 26 2.172 -13.999 21.415 1.00 38.18 ATOM 421 CA LYS 26 2.135 -13.069 23.306 1.00 40.54 ATOM 422 HA LYS 26 2.934 -12.552 23.806 1.00 44.14 ATOM 423 CB LYS 26 1.134 -12.055 22.746 1.00 20.20 ATOM 424 HB1 LYS 26 0.352 -11.869 23.476 1.00 38.18 ATOM 425 HB2 LYS 26 0.675 -12.470 21.858 1.00 63.23 ATOM 426 CG LYS 26 1.763 -10.726 22.364 1.00 33.24 ATOM 427 HG1 LYS 26 1.223 -10.335 21.513 1.00 38.18 ATOM 428 HG2 LYS 26 2.796 -10.867 22.081 1.00 31.25 ATOM 429 CD LYS 26 1.662 -9.716 23.495 1.00 34.32 ATOM 430 HD1 LYS 26 0.650 -9.701 23.880 1.00 38.18 ATOM 431 HD2 LYS 26 1.912 -8.739 23.109 1.00 74.30 ATOM 432 CE LYS 26 2.620 -10.050 24.628 1.00 43.11 ATOM 433 HE1 LYS 26 2.362 -11.007 25.047 1.00 38.18 ATOM 434 HE2 LYS 26 2.518 -9.292 25.391 1.00 71.52 ATOM 435 NZ LYS 26 4.036 -10.071 24.168 1.00 64.43 ATOM 436 HZ1 LYS 26 4.670 -10.101 24.992 1.00 40.13 ATOM 437 HZ2 LYS 26 4.257 -9.216 23.615 1.00 55.40 ATOM 438 HZ3 LYS 26 4.221 -10.906 23.582 1.00 35.21 ATOM 439 C LYS 26 1.447 -13.966 24.329 1.00 4.05 ATOM 440 O LYS 26 1.434 -13.665 25.523 1.00 42.04 ATOM 441 N MET 27 0.879 -15.069 23.855 1.00 34.51 ATOM 442 HN MET 27 0.913 -15.265 22.890 1.00 38.18 ATOM 443 CA MET 27 0.192 -16.012 24.731 1.00 53.22 ATOM 444 HA MET 27 -0.158 -15.484 25.613 1.00 43.11 ATOM 445 CB MET 27 -1.016 -16.619 24.014 1.00 22.54 ATOM 446 HB1 MET 27 -1.340 -17.509 24.532 1.00 38.18 ATOM 447 HB2 MET 27 -0.719 -16.895 23.012 1.00 21.30 ATOM 448 CG MET 27 -2.198 -15.671 23.905 1.00 53.41 ATOM 449 HG1 MET 27 -2.105 -15.109 22.988 1.00 38.18 ATOM 450 HG2 MET 27 -2.193 -14.988 24.745 1.00 53.11 ATOM 451 SD MET 27 -3.782 -16.533 23.891 1.00 2.24 ATOM 452 CE MET 27 -3.546 -17.652 22.513 1.00 31.21 ATOM 453 HE1 MET 27 -2.765 -18.359 22.752 1.00 44.34 ATOM 454 HE2 MET 27 -3.265 -17.088 21.636 1.00 74.53 ATOM 455 HE3 MET 27 -4.466 -18.184 22.320 1.00 21.32 ATOM 456 C MET 27 1.137 -17.119 25.187 1.00 42.43 ATOM 457 O MET 27 2.323 -17.108 24.860 1.00 61.12 ATOM 458 N ASN 28 0.604 -18.072 25.944 1.00 53.12 ATOM 459 HN ASN 28 -0.346 -18.024 26.199 1.00 38.18 ATOM 460 CA ASN 28 1.401 -19.185 26.445 1.00 30.42 ATOM 461 HA ASN 28 2.448 -18.893 26.454 1.00 34.14 ATOM 462 CB ASN 28 0.982 -19.537 27.874 1.00 1.12 ATOM 463 HB1 ASN 28 1.431 -20.473 28.161 1.00 38.18 ATOM 464 HB2 ASN 28 -0.092 -19.627 27.906 1.00 70.22 ATOM 465 CG ASN 28 1.403 -18.479 28.877 1.00 73.54 ATOM 466 OD1 ASN 28 2.367 -17.747 28.655 1.00 54.41 ATOM 467 ND2 ASN 28 0.679 -18.396 29.987 1.00 23.31 ATOM 468 HD21 ASN 28 -0.080 -19.008 30.100 1.00 23.02 ATOM 469 HD22 ASN 28 0.933 -17.723 30.652 1.00 53.10 ATOM 470 C ASN 28 1.254 -20.408 25.545 1.00 62.40 ATOM 471 O ASN 28 0.224 -20.596 24.897 1.00 54.11 ATOM 472 N LEU 29 2.291 -21.238 25.510 1.00 61.01 ATOM 473 HN LEU 29 3.098 -21.031 26.040 1.00 38.18 ATOM 474 CA LEU 29 2.278 -22.444 24.690 1.00 63.42 ATOM 475 HA LEU 29 1.255 -22.706 24.473 1.00 21.10 ATOM 476 CB LEU 29 3.004 -22.193 23.367 1.00 62.21 ATOM 477 HB1 LEU 29 2.750 -22.995 22.703 1.00 38.18 ATOM 478 HB2 LEU 29 4.073 -22.234 23.556 1.00 23.01 ATOM 479 CG LEU 29 2.699 -20.864 22.676 1.00 51.13 ATOM 480 HG LEU 29 2.841 -20.053 23.372 1.00 2.34 ATOM 481 CD1 LEU 29 3.654 -20.634 21.514 1.00 33.54 ATOM 482 HD11 LEU 29 4.665 -20.880 21.813 1.00 43.34 ATOM 483 HD12 LEU 29 3.620 -19.596 21.231 1.00 32.32 ATOM 484 HD13 LEU 29 3.372 -21.247 20.668 1.00 32.21 ATOM 485 CD2 LEU 29 1.255 -20.832 22.196 1.00 41.42 ATOM 486 HD21 LEU 29 0.623 -21.441 22.819 1.00 31.33 ATOM 487 HD22 LEU 29 1.193 -21.200 21.180 1.00 64.30 ATOM 488 HD23 LEU 29 0.899 -19.813 22.223 1.00 42.34 ATOM 489 C LEU 29 2.929 -23.611 25.427 1.00 41.34 ATOM 490 O LEU 29 3.840 -23.420 26.233 1.00 41.20 ATOM 491 N THR 30 2.457 -24.821 25.143 1.00 50.21 ATOM 492 HN THR 30 1.724 -24.912 24.488 1.00 38.18 ATOM 493 CA THR 30 2.993 -26.018 25.777 1.00 21.42 ATOM 494 HA THR 30 2.780 -25.962 26.836 1.00 43.24 ATOM 495 CB THR 30 2.332 -27.293 25.220 1.00 32.10 ATOM 496 HB THR 30 1.260 -27.170 25.258 1.00 11.11 ATOM 497 OG1 THR 30 2.701 -28.425 26.016 1.00 13.54 ATOM 498 HG1 THR 30 2.157 -28.454 26.807 1.00 21.44 ATOM 499 CG2 THR 30 2.743 -27.528 23.774 1.00 21.44 ATOM 500 HG21 THR 30 2.480 -26.670 23.190 1.00 33.53 ATOM 501 HG22 THR 30 2.213 -28.389 23.393 1.00 11.02 ATOM 502 HG23 THR 30 3.804 -27.710 23.704 1.00 22.21 ATOM 503 C THR 30 4.502 -26.115 25.582 1.00 32.43 ATOM 504 O THR 30 5.101 -25.295 24.887 1.00 62.55 ATOM 505 N ARG 31 5.110 -27.123 26.200 1.00 0.42 ATOM 506 HN ARG 31 4.576 -27.757 26.736 1.00 38.18 ATOM 507 CA ARG 31 6.550 -27.326 26.094 1.00 32.05 ATOM 508 HA ARG 31 7.033 -26.358 26.007 1.00 2.03 ATOM 509 CB ARG 31 7.080 -28.033 27.343 1.00 35.04 ATOM 510 HB1 ARG 31 8.038 -28.491 27.114 1.00 38.18 ATOM 511 HB2 ARG 31 6.384 -28.809 27.629 1.00 30.10 ATOM 512 CG ARG 31 7.272 -27.106 28.533 1.00 60.05 ATOM 513 HG1 ARG 31 6.350 -27.062 29.093 1.00 38.18 ATOM 514 HG2 ARG 31 7.532 -26.114 28.186 1.00 52.54 ATOM 515 CD ARG 31 8.380 -27.600 29.450 1.00 51.51 ATOM 516 HD1 ARG 31 8.453 -26.932 30.296 1.00 38.18 ATOM 517 HD2 ARG 31 9.306 -27.577 28.893 1.00 20.31 ATOM 518 NE ARG 31 8.129 -28.955 29.931 1.00 33.41 ATOM 519 HE ARG 31 7.206 -29.297 29.883 1.00 1.33 ATOM 520 CZ ARG 31 9.073 -29.744 30.433 1.00 13.42 ATOM 521 NH1 ARG 31 10.324 -29.313 30.520 1.00 73.01 ATOM 522 HH11 ARG 31 10.586 -28.400 30.220 1.00 5.43 ATOM 523 HH12 ARG 31 11.029 -29.918 30.897 1.00 64.14 ATOM 524 NH2 ARG 31 8.766 -30.965 30.850 1.00 30.35 ATOM 525 HH21 ARG 31 7.822 -31.296 30.788 1.00 71.31 ATOM 526 HH22 ARG 31 9.476 -31.562 31.229 1.00 51.30 ATOM 527 C ARG 31 6.894 -28.141 24.851 1.00 10.02 ATOM 528 O ARG 31 7.405 -29.256 24.949 1.00 54.10 ATOM 529 N GLY 32 6.610 -27.576 23.682 1.00 53.43 ATOM 530 HN GLY 32 6.253 -26.665 23.661 1.00 38.18 ATOM 531 CA GLY 32 6.895 -28.264 22.436 1.00 1.33 ATOM 532 HA1 GLY 32 7.078 -29.317 22.616 1.00 38.18 ATOM 533 HA2 GLY 32 7.783 -27.832 22.000 1.00 43.34 ATOM 534 C GLY 32 5.763 -28.145 21.436 1.00 75.33 ATOM 535 O GLY 32 5.458 -29.098 20.718 1.00 72.13 ATOM 536 N ILE 33 5.137 -26.974 21.389 1.00 34.20 ATOM 537 HN ILE 33 5.439 -26.236 21.959 1.00 38.18 ATOM 538 CA ILE 33 4.031 -26.736 20.469 1.00 0.35 ATOM 539 HA ILE 33 3.350 -27.580 20.542 1.00 22.22 ATOM 540 CB ILE 33 3.255 -25.459 20.842 1.00 52.33 ATOM 541 HB ILE 33 3.025 -25.490 21.887 1.00 11.22 ATOM 542 CG1 ILE 33 1.953 -25.375 20.041 1.00 23.35 ATOM 543 HG11 ILE 33 1.351 -26.241 20.257 1.00 38.18 ATOM 544 HG12 ILE 33 2.171 -25.347 18.985 1.00 42.53 ATOM 545 CG2 ILE 33 4.113 -24.227 20.597 1.00 42.32 ATOM 546 HG21 ILE 33 5.076 -24.347 21.071 1.00 40.42 ATOM 547 HG22 ILE 33 3.638 -23.363 21.003 1.00 25.24 ATOM 548 HG23 ILE 33 4.258 -24.074 19.537 1.00 4.30 ATOM 549 CD1 ILE 33 1.123 -24.152 20.363 1.00 23.44 ATOM 550 HD11 ILE 33 1.611 -23.511 21.073 1.00 21.44 ATOM 551 HD12 ILE 33 0.186 -24.474 20.782 1.00 40.52 ATOM 552 HD13 ILE 33 0.934 -23.599 19.454 1.00 64.03 ATOM 553 C ILE 33 4.527 -26.615 19.033 1.00 43.13 ATOM 554 O ILE 33 5.585 -26.041 18.777 1.00 51.21 ATOM 555 N ASN 34 3.755 -27.159 18.098 1.00 52.11 ATOM 556 HN ASN 34 2.918 -27.609 18.355 1.00 38.18 ATOM 557 CA ASN 34 4.115 -27.111 16.686 1.00 63.05 ATOM 558 HA ASN 34 5.046 -26.561 16.580 1.00 54.12 ATOM 559 CB ASN 34 4.315 -28.527 16.141 1.00 44.44 ATOM 560 HB1 ASN 34 3.405 -28.902 15.709 1.00 38.18 ATOM 561 HB2 ASN 34 4.605 -29.180 16.953 1.00 74.54 ATOM 562 CG ASN 34 5.409 -28.593 15.092 1.00 30.20 ATOM 563 OD1 ASN 34 6.592 -28.458 15.404 1.00 42.34 ATOM 564 ND2 ASN 34 5.017 -28.803 13.841 1.00 54.32 ATOM 565 HD21 ASN 34 4.059 -28.907 13.648 1.00 21.34 ATOM 566 HD22 ASN 34 5.710 -28.846 13.149 1.00 51.11 ATOM 567 C ASN 34 3.043 -26.389 15.875 1.00 45.22 ATOM 568 O ASN 34 2.079 -27.002 15.414 1.00 4.32 ATOM 569 N LEU 35 3.219 -25.083 15.704 1.00 73.25 ATOM 570 HN LEU 35 4.034 -24.661 16.065 1.00 38.18 ATOM 571 CA LEU 35 2.267 -24.276 14.947 1.00 21.24 ATOM 572 HA LEU 35 1.284 -24.458 15.339 1.00 74.44 ATOM 573 CB LEU 35 2.583 -22.789 15.116 1.00 54.10 ATOM 574 HB1 LEU 35 1.796 -22.211 14.649 1.00 38.18 ATOM 575 HB2 LEU 35 3.502 -22.604 14.583 1.00 31.21 ATOM 576 CG LEU 35 2.779 -22.303 16.552 1.00 25.14 ATOM 577 HG LEU 35 3.260 -23.066 17.143 1.00 14.33 ATOM 578 CD1 LEU 35 3.681 -21.078 16.583 1.00 73.51 ATOM 579 HD11 LEU 35 3.815 -20.750 17.605 1.00 55.32 ATOM 580 HD12 LEU 35 3.232 -20.283 16.006 1.00 44.32 ATOM 581 HD13 LEU 35 4.644 -21.327 16.160 1.00 1.42 ATOM 582 CD2 LEU 35 1.437 -21.996 17.200 1.00 22.13 ATOM 583 HD21 LEU 35 0.937 -21.210 16.651 1.00 62.52 ATOM 584 HD22 LEU 35 1.592 -21.677 18.222 1.00 44.31 ATOM 585 HD23 LEU 35 0.821 -22.884 17.195 1.00 2.33 ATOM 586 C LEU 35 2.292 -24.649 13.468 1.00 13.45 ATOM 587 O LEU 35 1.290 -24.510 12.767 1.00 51.34 ATOM 588 N ARG 36 3.442 -25.124 13.002 1.00 11.13 ATOM 589 HN ARG 36 4.222 -25.193 13.600 1.00 38.18 ATOM 590 CA ARG 36 3.597 -25.517 11.607 1.00 34.40 ATOM 591 HA ARG 36 3.509 -24.625 11.002 1.00 13.51 ATOM 592 CB ARG 36 4.974 -26.144 11.381 1.00 34.44 ATOM 593 HB1 ARG 36 4.995 -27.137 11.813 1.00 38.18 ATOM 594 HB2 ARG 36 5.712 -25.532 11.884 1.00 12.12 ATOM 595 CG ARG 36 5.362 -26.250 9.916 1.00 71.23 ATOM 596 HG1 ARG 36 5.242 -25.282 9.448 1.00 38.18 ATOM 597 HG2 ARG 36 4.711 -26.962 9.441 1.00 25.21 ATOM 598 CD ARG 36 6.806 -26.697 9.753 1.00 62.21 ATOM 599 HD1 ARG 36 7.449 -25.972 10.233 1.00 38.18 ATOM 600 HD2 ARG 36 7.045 -26.735 8.699 1.00 14.52 ATOM 601 NE ARG 36 7.045 -28.006 10.354 1.00 21.44 ATOM 602 HE ARG 36 7.569 -28.031 11.184 1.00 44.24 ATOM 603 CZ ARG 36 6.594 -29.145 9.840 1.00 51.10 ATOM 604 NH1 ARG 36 5.884 -29.135 8.720 1.00 2.11 ATOM 605 HH11 ARG 36 5.679 -28.294 8.232 1.00 55.41 ATOM 606 HH12 ARG 36 5.541 -30.001 8.349 1.00 14.21 ATOM 607 NH2 ARG 36 6.853 -30.297 10.446 1.00 52.33 ATOM 608 HH21 ARG 36 7.389 -30.311 11.293 1.00 33.20 ATOM 609 HH22 ARG 36 6.513 -31.157 10.060 1.00 53.20 ATOM 610 C ARG 36 2.505 -26.501 11.195 1.00 14.52 ATOM 611 O ARG 36 1.970 -26.424 10.089 1.00 60.02 ATOM 612 N LYS 37 2.178 -27.424 12.093 1.00 63.32 ATOM 613 HN LYS 37 2.634 -27.436 12.966 1.00 38.18 ATOM 614 CA LYS 37 1.150 -28.423 11.825 1.00 41.33 ATOM 615 HA LYS 37 1.295 -28.805 10.822 1.00 74.34 ATOM 616 CB LYS 37 1.271 -29.586 12.811 1.00 35.43 ATOM 617 HB1 LYS 37 1.309 -29.190 13.817 1.00 38.18 ATOM 618 HB2 LYS 37 2.197 -30.107 12.609 1.00 24.01 ATOM 619 CG LYS 37 0.136 -30.591 12.708 1.00 63.31 ATOM 620 HG1 LYS 37 0.531 -31.579 12.907 1.00 38.18 ATOM 621 HG2 LYS 37 -0.274 -30.573 11.705 1.00 11.22 ATOM 622 CD LYS 37 -0.977 -30.278 13.693 1.00 34.52 ATOM 623 HD1 LYS 37 -1.908 -30.578 13.254 1.00 38.18 ATOM 624 HD2 LYS 37 -1.010 -29.224 13.913 1.00 12.42 ATOM 625 CE LYS 37 -0.794 -31.034 15.000 1.00 23.24 ATOM 626 HE1 LYS 37 -1.212 -30.436 15.792 1.00 38.18 ATOM 627 HE2 LYS 37 0.255 -31.204 15.185 1.00 53.32 ATOM 628 NZ LYS 37 -1.493 -32.349 14.984 1.00 44.01 ATOM 629 HZ1 LYS 37 -1.120 -32.948 14.218 1.00 53.31 ATOM 630 HZ2 LYS 37 -2.515 -32.215 14.838 1.00 24.14 ATOM 631 HZ3 LYS 37 -1.348 -32.838 15.890 1.00 41.40 ATOM 632 C LYS 37 -0.243 -27.807 11.916 1.00 63.43 ATOM 633 O LYS 37 -1.183 -28.279 11.275 1.00 45.43 ATOM 634 N ILE 38 -0.367 -26.753 12.714 1.00 15.31 ATOM 635 HN ILE 38 0.413 -26.421 13.191 1.00 38.18 ATOM 636 CA ILE 38 -1.645 -26.072 12.886 1.00 60.11 ATOM 637 HA ILE 38 -2.396 -26.816 13.106 1.00 53.05 ATOM 638 CB ILE 38 -1.595 -25.067 14.052 1.00 51.14 ATOM 639 HB ILE 38 -0.943 -24.249 13.783 1.00 45.13 ATOM 640 CG1 ILE 38 -1.043 -25.739 15.310 1.00 24.12 ATOM 641 HG11 ILE 38 -1.045 -25.028 16.125 1.00 38.18 ATOM 642 HG12 ILE 38 -0.038 -26.060 15.135 1.00 55.33 ATOM 643 CG2 ILE 38 -2.979 -24.493 14.315 1.00 10.44 ATOM 644 HG21 ILE 38 -3.663 -25.272 14.609 1.00 65.14 ATOM 645 HG22 ILE 38 -3.355 -24.010 13.425 1.00 32.21 ATOM 646 HG23 ILE 38 -2.916 -23.756 15.097 1.00 24.05 ATOM 647 CD1 ILE 38 -1.841 -26.946 15.750 1.00 21.25 ATOM 648 HD11 ILE 38 -2.767 -27.019 15.211 1.00 33.23 ATOM 649 HD12 ILE 38 -2.054 -26.864 16.805 1.00 45.32 ATOM 650 HD13 ILE 38 -1.258 -27.838 15.578 1.00 63.43 ATOM 651 C ILE 38 -2.052 -25.338 11.613 1.00 11.41 ATOM 652 O ILE 38 -3.092 -25.628 11.022 1.00 25.40 ATOM 653 N ALA 39 -1.224 -24.385 11.196 1.00 75.34 ATOM 654 HN ALA 39 -0.402 -24.204 11.710 1.00 38.18 ATOM 655 CA ALA 39 -1.496 -23.612 9.991 1.00 50.55 ATOM 656 HA ALA 39 -2.387 -23.040 10.162 1.00 33.24 ATOM 657 CB ALA 39 -0.360 -22.636 9.723 1.00 43.25 ATOM 658 HB1 ALA 39 0.007 -22.741 8.710 1.00 61.42 ATOM 659 HB2 ALA 39 0.458 -22.811 10.408 1.00 34.14 ATOM 660 HB3 ALA 39 -0.723 -21.628 9.861 1.00 44.11 ATOM 661 C ALA 39 -1.706 -24.525 8.788 1.00 55.34 ATOM 662 O ALA 39 -2.445 -24.187 7.863 1.00 64.02 ATOM 663 N GLU 40 -1.052 -25.682 8.807 1.00 15.12 ATOM 664 HN GLU 40 -0.440 -25.888 9.550 1.00 38.18 ATOM 665 CA GLU 40 -1.168 -26.642 7.716 1.00 21.41 ATOM 666 HA GLU 40 -0.911 -26.136 6.793 1.00 35.31 ATOM 667 CB GLU 40 -0.208 -27.814 7.935 1.00 73.03 ATOM 668 HB1 GLU 40 -0.621 -28.709 7.482 1.00 38.18 ATOM 669 HB2 GLU 40 -0.094 -27.987 8.997 1.00 24.03 ATOM 670 CG GLU 40 1.171 -27.591 7.338 1.00 50.42 ATOM 671 HG1 GLU 40 1.599 -26.717 7.791 1.00 38.18 ATOM 672 HG2 GLU 40 1.068 -27.430 6.275 1.00 34.03 ATOM 673 CD GLU 40 2.100 -28.768 7.560 1.00 45.11 ATOM 674 OE1 GLU 40 3.045 -28.635 8.366 1.00 71.22 ATOM 675 OE2 GLU 40 1.883 -29.823 6.927 1.00 15.53 ATOM 676 C GLU 40 -2.599 -27.159 7.595 1.00 42.43 ATOM 677 O GLU 40 -3.007 -27.650 6.541 1.00 4.42 ATOM 678 N LEU 41 -3.356 -27.045 8.680 1.00 54.41 ATOM 679 HN LEU 41 -2.983 -26.690 9.507 1.00 38.18 ATOM 680 CA LEU 41 -4.742 -27.500 8.697 1.00 53.22 ATOM 681 HA LEU 41 -4.876 -28.256 7.932 1.00 3.31 ATOM 682 CB LEU 41 -5.078 -28.126 10.052 1.00 42.43 ATOM 683 HB1 LEU 41 -6.084 -28.525 10.002 1.00 38.18 ATOM 684 HB2 LEU 41 -5.074 -27.327 10.788 1.00 41.41 ATOM 685 CG LEU 41 -4.134 -29.227 10.534 1.00 24.43 ATOM 686 HG LEU 41 -3.134 -29.029 10.187 1.00 45.34 ATOM 687 CD1 LEU 41 -4.095 -29.270 12.054 1.00 14.30 ATOM 688 HD11 LEU 41 -3.677 -28.352 12.429 1.00 34.34 ATOM 689 HD12 LEU 41 -3.491 -30.098 12.376 1.00 72.51 ATOM 690 HD13 LEU 41 -5.098 -29.391 12.441 1.00 61.34 ATOM 691 CD2 LEU 41 -4.557 -30.577 9.972 1.00 43.52 ATOM 692 HD21 LEU 41 -3.866 -31.340 10.303 1.00 21.14 ATOM 693 HD22 LEU 41 -4.551 -30.537 8.891 1.00 73.22 ATOM 694 HD23 LEU 41 -5.553 -30.821 10.317 1.00 55.25 ATOM 695 C LEU 41 -5.698 -26.347 8.406 1.00 43.11 ATOM 696 O LEU 41 -6.847 -26.354 8.846 1.00 71.44 ATOM 697 N MET 42 -5.214 -25.358 7.660 1.00 35.44 ATOM 698 HN MET 42 -4.306 -25.390 7.311 1.00 38.18 ATOM 699 CA MET 42 -6.027 -24.200 7.308 1.00 72.02 ATOM 700 HA MET 42 -6.999 -24.282 7.777 1.00 70.22 ATOM 701 CB MET 42 -5.375 -22.916 7.825 1.00 61.35 ATOM 702 HB1 MET 42 -6.052 -22.092 7.639 1.00 38.18 ATOM 703 HB2 MET 42 -4.452 -22.744 7.285 1.00 11.10 ATOM 704 CG MET 42 -5.050 -22.955 9.309 1.00 44.21 ATOM 705 HG1 MET 42 -4.204 -23.594 9.463 1.00 38.18 ATOM 706 HG2 MET 42 -5.895 -23.357 9.837 1.00 72.43 ATOM 707 SD MET 42 -4.691 -21.322 9.984 1.00 43.10 ATOM 708 CE MET 42 -6.346 -20.710 10.289 1.00 74.15 ATOM 709 HE1 MET 42 -6.311 -19.973 11.064 1.00 2.01 ATOM 710 HE2 MET 42 -6.986 -21.524 10.594 1.00 43.21 ATOM 711 HE3 MET 42 -6.737 -20.264 9.386 1.00 13.44 ATOM 712 C MET 42 -6.223 -24.113 5.798 1.00 43.45 ATOM 713 O MET 42 -5.659 -23.251 5.123 1.00 4.54 ATOM 714 N PRO 43 -7.040 -25.025 5.252 1.00 72.32 ATOM 715 CA PRO 43 -7.329 -25.071 3.815 1.00 23.33 ATOM 716 HA PRO 43 -6.420 -25.112 3.230 1.00 41.14 ATOM 717 CB PRO 43 -8.100 -26.383 3.650 1.00 32.13 ATOM 718 HB1 PRO 43 -7.409 -27.171 3.391 1.00 38.18 ATOM 719 HB2 PRO 43 -8.852 -26.296 2.875 1.00 2.11 ATOM 720 CG PRO 43 -8.715 -26.631 4.984 1.00 23.55 ATOM 721 HG1 PRO 43 -8.852 -27.692 5.134 1.00 38.18 ATOM 722 HG2 PRO 43 -9.662 -26.116 5.053 1.00 13.42 ATOM 723 CD PRO 43 -7.746 -26.082 5.995 1.00 33.22 ATOM 724 HD1 PRO 43 -7.067 -26.859 6.298 1.00 38.18 ATOM 725 HD2 PRO 43 -8.279 -25.683 6.844 1.00 63.30 ATOM 726 C PRO 43 -8.179 -23.892 3.357 1.00 53.22 ATOM 727 O PRO 43 -9.407 -23.939 3.417 1.00 52.11 ATOM 728 N GLY 44 -7.518 -22.834 2.898 1.00 43.42 ATOM 729 HN GLY 44 -6.534 -22.842 2.869 1.00 38.18 ATOM 730 CA GLY 44 -8.230 -21.657 2.435 1.00 2.23 ATOM 731 HA1 GLY 44 -9.122 -21.955 1.897 1.00 38.18 ATOM 732 HA2 GLY 44 -7.587 -21.111 1.760 1.00 54.04 ATOM 733 C GLY 44 -8.628 -20.736 3.572 1.00 43.02 ATOM 734 O GLY 44 -9.810 -20.605 3.888 1.00 4.25 ATOM 735 N ALA 45 -7.638 -20.098 4.188 1.00 13.32 ATOM 736 HN ALA 45 -6.706 -20.252 3.902 1.00 38.18 ATOM 737 CA ALA 45 -7.891 -19.184 5.296 1.00 73.53 ATOM 738 HA ALA 45 -8.919 -18.883 5.257 1.00 41.13 ATOM 739 CB ALA 45 -7.658 -19.889 6.624 1.00 12.41 ATOM 740 HB1 ALA 45 -8.212 -19.384 7.401 1.00 4.20 ATOM 741 HB2 ALA 45 -6.603 -19.880 6.872 1.00 62.11 ATOM 742 HB3 ALA 45 -7.990 -20.910 6.553 1.00 25.41 ATOM 743 C ALA 45 -7.015 -17.941 5.193 1.00 42.11 ATOM 744 O ALA 45 -5.796 -18.039 5.053 1.00 42.12 ATOM 745 N SER 46 -7.644 -16.772 5.263 1.00 45.12 ATOM 746 HN SER 46 -8.618 -16.751 5.385 1.00 38.18 ATOM 747 CA SER 46 -6.921 -15.509 5.173 1.00 2.41 ATOM 748 HA SER 46 -6.073 -15.639 4.511 1.00 52.13 ATOM 749 CB SER 46 -7.825 -14.420 4.592 1.00 43.31 ATOM 750 HB1 SER 46 -8.430 -14.835 3.798 1.00 38.18 ATOM 751 HB2 SER 46 -7.213 -13.623 4.197 1.00 25.31 ATOM 752 OG SER 46 -8.681 -13.883 5.586 1.00 64.21 ATOM 753 HG SER 46 -9.106 -13.091 5.249 1.00 32.40 ATOM 754 C SER 46 -6.405 -15.079 6.543 1.00 22.42 ATOM 755 O SER 46 -6.742 -15.680 7.562 1.00 33.23 ATOM 756 N GLY 47 -5.583 -14.034 6.558 1.00 31.14 ATOM 757 HN GLY 47 -5.341 -13.585 5.717 1.00 38.18 ATOM 758 CA GLY 47 -5.033 -13.541 7.808 1.00 62.34 ATOM 759 HA1 GLY 47 -4.485 -12.631 7.612 1.00 38.18 ATOM 760 HA2 GLY 47 -4.352 -14.279 8.207 1.00 32.23 ATOM 761 C GLY 47 -6.105 -13.254 8.840 1.00 3.11 ATOM 762 O GLY 47 -5.859 -13.348 10.042 1.00 11.12 ATOM 763 N ALA 48 -7.297 -12.901 8.371 1.00 41.05 ATOM 764 HN ALA 48 -7.433 -12.799 7.402 1.00 38.18 ATOM 765 CA ALA 48 -8.410 -12.599 9.262 1.00 71.23 ATOM 766 HA ALA 48 -8.068 -11.896 10.012 1.00 5.45 ATOM 767 CB ALA 48 -9.541 -11.939 8.488 1.00 55.41 ATOM 768 HB1 ALA 48 -9.169 -11.050 8.000 1.00 10.02 ATOM 769 HB2 ALA 48 -10.337 -11.667 9.167 1.00 15.32 ATOM 770 HB3 ALA 48 -9.921 -12.624 7.743 1.00 15.43 ATOM 771 C ALA 48 -8.910 -13.858 9.962 1.00 70.44 ATOM 772 O ALA 48 -9.195 -13.842 11.159 1.00 42.05 ATOM 773 N GLU 49 -9.015 -14.948 9.207 1.00 44.33 ATOM 774 HN GLU 49 -8.780 -14.901 8.250 1.00 38.18 ATOM 775 CA GLU 49 -9.482 -16.215 9.756 1.00 11.10 ATOM 776 HA GLU 49 -10.444 -16.046 10.226 1.00 4.34 ATOM 777 CB GLU 49 -9.642 -17.251 8.642 1.00 73.23 ATOM 778 HB1 GLU 49 -9.621 -18.247 9.069 1.00 38.18 ATOM 779 HB2 GLU 49 -8.809 -17.152 7.957 1.00 75.44 ATOM 780 CG GLU 49 -10.940 -17.112 7.863 1.00 24.00 ATOM 781 HG1 GLU 49 -11.183 -16.062 7.753 1.00 38.18 ATOM 782 HG2 GLU 49 -11.728 -17.605 8.412 1.00 33.05 ATOM 783 CD GLU 49 -10.859 -17.730 6.481 1.00 53.25 ATOM 784 OE1 GLU 49 -10.603 -16.984 5.512 1.00 3.12 ATOM 785 OE2 GLU 49 -11.053 -18.958 6.367 1.00 72.03 ATOM 786 C GLU 49 -8.517 -16.737 10.816 1.00 20.34 ATOM 787 O GLU 49 -8.936 -17.244 11.857 1.00 24.32 ATOM 788 N VAL 50 -7.222 -16.610 10.544 1.00 72.22 ATOM 789 HN VAL 50 -6.950 -16.182 9.701 1.00 38.18 ATOM 790 CA VAL 50 -6.197 -17.068 11.473 1.00 24.44 ATOM 791 HA VAL 50 -6.300 -18.131 11.589 1.00 72.52 ATOM 792 CB VAL 50 -4.783 -16.768 10.941 1.00 24.45 ATOM 793 HB VAL 50 -4.681 -15.698 10.819 1.00 62.42 ATOM 794 CG1 VAL 50 -3.728 -17.236 11.933 1.00 35.42 ATOM 795 HG11 VAL 50 -3.904 -18.270 12.197 1.00 21.24 ATOM 796 HG12 VAL 50 -3.761 -16.626 12.823 1.00 44.10 ATOM 797 HG13 VAL 50 -2.745 -17.147 11.488 1.00 70.15 ATOM 798 CG2 VAL 50 -4.575 -17.421 9.583 1.00 53.10 ATOM 799 HG21 VAL 50 -5.269 -17.018 8.871 1.00 51.33 ATOM 800 HG22 VAL 50 -4.727 -18.480 9.664 1.00 31.52 ATOM 801 HG23 VAL 50 -3.567 -17.231 9.239 1.00 72.02 ATOM 802 C VAL 50 -6.363 -16.415 12.841 1.00 44.24 ATOM 803 O VAL 50 -6.284 -17.080 13.873 1.00 22.54 ATOM 804 N LYS 51 -6.594 -15.106 12.841 1.00 63.34 ATOM 805 HN LYS 51 -6.632 -14.621 11.982 1.00 38.18 ATOM 806 CA LYS 51 -6.773 -14.361 14.081 1.00 52.54 ATOM 807 HA LYS 51 -5.830 -14.377 14.612 1.00 60.34 ATOM 808 CB LYS 51 -7.159 -12.911 13.777 1.00 61.12 ATOM 809 HB1 LYS 51 -8.219 -12.854 13.560 1.00 38.18 ATOM 810 HB2 LYS 51 -6.612 -12.596 12.896 1.00 35.25 ATOM 811 CG LYS 51 -6.851 -11.949 14.911 1.00 32.24 ATOM 812 HG1 LYS 51 -5.943 -12.267 15.410 1.00 38.18 ATOM 813 HG2 LYS 51 -7.667 -11.969 15.620 1.00 43.15 ATOM 814 CD LYS 51 -6.644 -10.533 14.401 1.00 25.11 ATOM 815 HD1 LYS 51 -6.216 -10.549 13.407 1.00 38.18 ATOM 816 HD2 LYS 51 -5.964 -10.026 15.069 1.00 64.11 ATOM 817 CE LYS 51 -7.951 -9.756 14.366 1.00 5.00 ATOM 818 HE1 LYS 51 -8.492 -9.921 15.290 1.00 38.18 ATOM 819 HE2 LYS 51 -8.543 -10.110 13.536 1.00 43.12 ATOM 820 NZ LYS 51 -7.722 -8.293 14.205 1.00 20.35 ATOM 821 HZ1 LYS 51 -8.633 -7.792 14.184 1.00 74.11 ATOM 822 HZ2 LYS 51 -7.217 -8.101 13.315 1.00 14.22 ATOM 823 HZ3 LYS 51 -7.157 -7.925 14.999 1.00 24.23 ATOM 824 C LYS 51 -7.841 -15.009 14.956 1.00 61.01 ATOM 825 O LYS 51 -7.742 -15.000 16.182 1.00 0.41 ATOM 826 N GLY 52 -8.861 -15.573 14.317 1.00 73.32 ATOM 827 HN GLY 52 -8.919 -15.537 13.337 1.00 38.18 ATOM 828 CA GLY 52 -9.932 -16.220 15.053 1.00 3.34 ATOM 829 HA1 GLY 52 -10.726 -16.464 14.363 1.00 38.18 ATOM 830 HA2 GLY 52 -10.320 -15.538 15.800 1.00 3.12 ATOM 831 C GLY 52 -9.477 -17.493 15.738 1.00 33.33 ATOM 832 O GLY 52 -9.917 -17.802 16.846 1.00 74.53 ATOM 833 N VAL 53 -8.595 -18.236 15.078 1.00 63.22 ATOM 834 HN VAL 53 -8.273 -17.935 14.198 1.00 38.18 ATOM 835 CA VAL 53 -8.081 -19.484 15.630 1.00 63.15 ATOM 836 HA VAL 53 -8.920 -20.143 15.794 1.00 33.34 ATOM 837 CB VAL 53 -7.107 -20.170 14.653 1.00 22.33 ATOM 838 HB VAL 53 -6.277 -19.502 14.469 1.00 44.11 ATOM 839 CG1 VAL 53 -6.558 -21.453 15.259 1.00 35.14 ATOM 840 HG11 VAL 53 -6.099 -21.264 16.216 1.00 3.33 ATOM 841 HG12 VAL 53 -5.810 -21.860 14.596 1.00 53.43 ATOM 842 HG13 VAL 53 -7.355 -22.169 15.373 1.00 74.14 ATOM 843 CG2 VAL 53 -7.793 -20.449 13.325 1.00 73.52 ATOM 844 HG21 VAL 53 -8.730 -20.960 13.495 1.00 3.51 ATOM 845 HG22 VAL 53 -7.161 -21.074 12.725 1.00 25.24 ATOM 846 HG23 VAL 53 -7.977 -19.522 12.806 1.00 42.44 ATOM 847 C VAL 53 -7.369 -19.246 16.957 1.00 74.42 ATOM 848 O VAL 53 -7.680 -19.886 17.962 1.00 0.15 ATOM 849 N CYS 54 -6.414 -18.323 16.953 1.00 75.14 ATOM 850 HN CYS 54 -6.241 -17.827 16.119 1.00 38.18 ATOM 851 CA CYS 54 -5.658 -18.000 18.157 1.00 23.41 ATOM 852 HA CYS 54 -5.112 -18.884 18.456 1.00 64.21 ATOM 853 CB CYS 54 -4.660 -16.877 17.872 1.00 62.11 ATOM 854 HB1 CYS 54 -4.041 -16.723 18.745 1.00 38.18 ATOM 855 HB2 CYS 54 -5.199 -15.965 17.654 1.00 54.51 ATOM 856 SG CYS 54 -3.562 -17.202 16.472 1.00 35.31 ATOM 857 HG CYS 54 -2.395 -17.604 16.953 1.00 62.13 ATOM 858 C CYS 54 -6.591 -17.592 19.292 1.00 22.14 ATOM 859 O CYS 54 -6.369 -17.945 20.451 1.00 20.22 ATOM 860 N THR 55 -7.636 -16.844 18.953 1.00 41.14 ATOM 861 HN THR 55 -7.763 -16.581 18.011 1.00 38.18 ATOM 862 CA THR 55 -8.601 -16.385 19.943 1.00 54.40 ATOM 863 HA THR 55 -8.058 -15.886 20.738 1.00 63.42 ATOM 864 CB THR 55 -9.595 -15.378 19.334 1.00 53.42 ATOM 865 HB THR 55 -10.180 -15.879 18.573 1.00 14.14 ATOM 866 OG1 THR 55 -8.884 -14.292 18.729 1.00 1.12 ATOM 867 HG1 THR 55 -8.603 -14.542 17.846 1.00 54.25 ATOM 868 CG2 THR 55 -10.542 -14.841 20.397 1.00 42.01 ATOM 869 HG21 THR 55 -11.233 -15.614 20.697 1.00 63.34 ATOM 870 HG22 THR 55 -11.097 -14.009 19.990 1.00 41.00 ATOM 871 HG23 THR 55 -9.979 -14.505 21.258 1.00 73.44 ATOM 872 C THR 55 -9.379 -17.554 20.536 1.00 54.22 ATOM 873 O THR 55 -9.668 -17.576 21.732 1.00 40.32 ATOM 874 N GLU 56 -9.715 -18.524 19.691 1.00 32.25 ATOM 875 HN GLU 56 -9.465 -18.449 18.740 1.00 38.18 ATOM 876 CA GLU 56 -10.460 -19.697 20.134 1.00 54.10 ATOM 877 HA GLU 56 -11.293 -19.358 20.719 1.00 14.10 ATOM 878 CB GLU 56 -10.956 -20.499 18.929 1.00 42.44 ATOM 879 HB1 GLU 56 -11.035 -21.549 19.184 1.00 38.18 ATOM 880 HB2 GLU 56 -10.251 -20.383 18.128 1.00 44.20 ATOM 881 CG GLU 56 -12.309 -20.043 18.409 1.00 42.53 ATOM 882 HG1 GLU 56 -12.597 -20.681 17.586 1.00 38.18 ATOM 883 HG2 GLU 56 -12.222 -19.025 18.061 1.00 22.25 ATOM 884 CD GLU 56 -13.391 -20.100 19.469 1.00 21.34 ATOM 885 OE1 GLU 56 -14.023 -21.168 19.614 1.00 65.00 ATOM 886 OE2 GLU 56 -13.606 -19.079 20.154 1.00 14.32 ATOM 887 C GLU 56 -9.599 -20.583 21.029 1.00 62.22 ATOM 888 O GLU 56 -10.074 -21.125 22.026 1.00 31.12 ATOM 889 N ALA 57 -8.329 -20.726 20.664 1.00 61.14 ATOM 890 HN ALA 57 -8.006 -20.283 19.844 1.00 38.18 ATOM 891 CA ALA 57 -7.400 -21.545 21.433 1.00 53.20 ATOM 892 HA ALA 57 -7.740 -22.571 21.387 1.00 71.35 ATOM 893 CB ALA 57 -6.009 -21.482 20.821 1.00 41.44 ATOM 894 HB1 ALA 57 -6.070 -21.728 19.771 1.00 70.32 ATOM 895 HB2 ALA 57 -5.366 -22.192 21.316 1.00 61.23 ATOM 896 HB3 ALA 57 -5.603 -20.486 20.932 1.00 72.13 ATOM 897 C ALA 57 -7.359 -21.104 22.892 1.00 3.21 ATOM 898 O ALA 57 -7.298 -21.932 23.800 1.00 64.24 ATOM 899 N GLY 58 -7.392 -19.793 23.111 1.00 45.44 ATOM 900 HN GLY 58 -7.427 -19.163 22.357 1.00 38.18 ATOM 901 CA GLY 58 -7.356 -19.265 24.462 1.00 42.30 ATOM 902 HA1 GLY 58 -7.192 -18.199 24.411 1.00 38.18 ATOM 903 HA2 GLY 58 -6.535 -19.716 25.005 1.00 72.10 ATOM 904 C GLY 58 -8.644 -19.520 25.218 1.00 33.14 ATOM 905 O GLY 58 -8.653 -19.553 26.449 1.00 54.34 ATOM 906 N MET 59 -9.736 -19.700 24.482 1.00 64.05 ATOM 907 HN MET 59 -9.679 -19.643 23.507 1.00 38.18 ATOM 908 CA MET 59 -11.036 -19.953 25.091 1.00 22.23 ATOM 909 HA MET 59 -11.181 -19.238 25.886 1.00 41.52 ATOM 910 CB MET 59 -12.150 -19.782 24.057 1.00 31.11 ATOM 911 HB1 MET 59 -13.105 -19.945 24.540 1.00 38.18 ATOM 912 HB2 MET 59 -12.026 -20.530 23.287 1.00 12.45 ATOM 913 CG MET 59 -12.152 -18.418 23.386 1.00 61.32 ATOM 914 HG1 MET 59 -12.335 -18.555 22.334 1.00 38.18 ATOM 915 HG2 MET 59 -11.198 -17.934 23.521 1.00 71.33 ATOM 916 SD MET 59 -13.429 -17.325 24.037 1.00 33.24 ATOM 917 CE MET 59 -13.023 -17.332 25.782 1.00 50.32 ATOM 918 HE1 MET 59 -13.179 -18.322 26.184 1.00 41.32 ATOM 919 HE2 MET 59 -13.657 -16.629 26.302 1.00 72.33 ATOM 920 HE3 MET 59 -11.989 -17.049 25.912 1.00 2.32 ATOM 921 C MET 59 -11.092 -21.355 25.689 1.00 31.43 ATOM 922 O MET 59 -11.561 -21.543 26.812 1.00 73.50 ATOM 923 N TYR 60 -10.612 -22.336 24.933 1.00 44.12 ATOM 924 HN TYR 60 -10.253 -22.126 24.038 1.00 38.18 ATOM 925 CA TYR 60 -10.610 -23.721 25.387 1.00 30.34 ATOM 926 HA TYR 60 -11.625 -23.994 25.639 1.00 3.24 ATOM 927 CB TYR 60 -10.116 -24.645 24.273 1.00 61.11 ATOM 928 HB1 TYR 60 -9.923 -25.632 24.682 1.00 38.18 ATOM 929 HB2 TYR 60 -9.192 -24.249 23.874 1.00 4.53 ATOM 930 CG TYR 60 -11.102 -24.806 23.138 1.00 32.43 ATOM 931 CD1 TYR 60 -10.874 -24.212 21.903 1.00 12.04 ATOM 932 HD1 TYR 60 -9.978 -23.625 21.756 1.00 61.34 ATOM 933 CD2 TYR 60 -12.262 -25.555 23.301 1.00 2.51 ATOM 934 HD2 TYR 60 -12.458 -26.026 24.255 1.00 62.41 ATOM 935 CE1 TYR 60 -11.773 -24.356 20.864 1.00 31.25 ATOM 936 HE1 TYR 60 -11.577 -23.886 19.911 1.00 54.30 ATOM 937 CE2 TYR 60 -13.166 -25.705 22.267 1.00 24.41 ATOM 938 HE2 TYR 60 -14.062 -26.290 22.414 1.00 44.42 ATOM 939 CZ TYR 60 -12.917 -25.104 21.051 1.00 10.10 ATOM 940 OH TYR 60 -13.814 -25.251 20.018 1.00 32.11 ATOM 941 HH TYR 60 -14.574 -24.710 20.223 1.00 21.41 ATOM 942 C TYR 60 -9.735 -23.887 26.626 1.00 31.22 ATOM 943 O TYR 60 -10.061 -24.654 27.532 1.00 61.13 ATOM 944 N ALA 61 -8.622 -23.161 26.658 1.00 33.31 ATOM 945 HN ALA 61 -8.403 -22.568 25.901 1.00 38.18 ATOM 946 CA ALA 61 -7.701 -23.225 27.786 1.00 41.23 ATOM 947 HA ALA 61 -7.518 -24.267 28.022 1.00 71.13 ATOM 948 CB ALA 61 -6.368 -22.593 27.414 1.00 4.10 ATOM 949 HB1 ALA 61 -5.674 -22.696 28.236 1.00 4.44 ATOM 950 HB2 ALA 61 -6.511 -21.545 27.192 1.00 64.20 ATOM 951 HB3 ALA 61 -5.967 -23.091 26.543 1.00 15.20 ATOM 952 C ALA 61 -8.289 -22.540 29.014 1.00 0.45 ATOM 953 O ALA 61 -8.158 -23.033 30.136 1.00 40.05 ATOM 954 N LEU 62 -8.936 -21.400 28.797 1.00 35.15 ATOM 955 HN LEU 62 -9.000 -21.044 27.879 1.00 38.18 ATOM 956 CA LEU 62 -9.545 -20.646 29.888 1.00 23.01 ATOM 957 HA LEU 62 -8.776 -20.432 30.620 1.00 50.31 ATOM 958 CB LEU 62 -10.121 -19.329 29.365 1.00 63.12 ATOM 959 HB1 LEU 62 -10.932 -19.014 30.015 1.00 38.18 ATOM 960 HB2 LEU 62 -10.544 -19.525 28.386 1.00 61.41 ATOM 961 CG LEU 62 -9.135 -18.167 29.242 1.00 3.25 ATOM 962 HG LEU 62 -8.209 -18.527 28.815 1.00 24.01 ATOM 963 CD1 LEU 62 -9.686 -17.094 28.316 1.00 31.30 ATOM 964 HD11 LEU 62 -10.610 -16.702 28.719 1.00 75.24 ATOM 965 HD12 LEU 62 -9.873 -17.519 27.340 1.00 43.41 ATOM 966 HD13 LEU 62 -8.967 -16.292 28.222 1.00 15.54 ATOM 967 CD2 LEU 62 -8.826 -17.583 30.613 1.00 10.24 ATOM 968 HD21 LEU 62 -9.734 -17.204 31.062 1.00 32.41 ATOM 969 HD22 LEU 62 -8.113 -16.776 30.512 1.00 52.23 ATOM 970 HD23 LEU 62 -8.405 -18.350 31.248 1.00 10.41 ATOM 971 C LEU 62 -10.642 -21.460 30.567 1.00 4.34 ATOM 972 O LEU 62 -10.656 -21.602 31.790 1.00 24.12 ATOM 973 N ARG 63 -11.558 -21.993 29.766 1.00 22.10 ATOM 974 HN ARG 63 -11.494 -21.841 28.792 1.00 38.18 ATOM 975 CA ARG 63 -12.658 -22.794 30.290 1.00 40.33 ATOM 976 HA ARG 63 -13.246 -22.168 30.948 1.00 73.40 ATOM 977 CB ARG 63 -13.550 -23.283 29.147 1.00 11.52 ATOM 978 HB1 ARG 63 -13.881 -22.427 28.576 1.00 38.18 ATOM 979 HB2 ARG 63 -14.416 -23.774 29.574 1.00 30.05 ATOM 980 CG ARG 63 -12.853 -24.245 28.200 1.00 74.43 ATOM 981 HG1 ARG 63 -12.248 -24.952 28.740 1.00 38.18 ATOM 982 HG2 ARG 63 -12.241 -23.673 27.551 1.00 12.12 ATOM 983 CD ARG 63 -13.855 -25.021 27.358 1.00 23.34 ATOM 984 HD1 ARG 63 -13.332 -25.448 26.514 1.00 38.18 ATOM 985 HD2 ARG 63 -14.622 -24.347 26.995 1.00 73.43 ATOM 986 NE ARG 63 -14.484 -26.101 28.114 1.00 62.33 ATOM 987 HE ARG 63 -14.210 -26.229 29.052 1.00 61.04 ATOM 988 CZ ARG 63 -15.402 -26.916 27.605 1.00 4.04 ATOM 989 NH1 ARG 63 -15.795 -26.774 26.347 1.00 21.11 ATOM 990 HH11 ARG 63 -15.414 -26.060 25.761 1.00 54.30 ATOM 991 HH12 ARG 63 -16.488 -27.393 25.971 1.00 13.34 ATOM 992 NH2 ARG 63 -15.928 -27.875 28.356 1.00 62.40 ATOM 993 HH21 ARG 63 -15.635 -27.987 29.308 1.00 44.42 ATOM 994 HH22 ARG 63 -16.621 -28.491 27.975 1.00 54.24 ATOM 995 C ARG 63 -12.133 -23.985 31.085 1.00 63.41 ATOM 996 O ARG 63 -12.814 -24.501 31.970 1.00 31.22 ATOM 997 N GLU 64 -10.918 -24.417 30.762 1.00 44.15 ATOM 998 HN GLU 64 -10.424 -24.002 30.021 1.00 38.18 ATOM 999 CA GLU 64 -10.303 -25.549 31.445 1.00 4.41 ATOM 1000 HA GLU 64 -11.084 -26.182 31.854 1.00 60.15 ATOM 1001 CB GLU 64 -9.470 -26.375 30.463 1.00 42.01 ATOM 1002 HB1 GLU 64 -8.820 -27.042 31.019 1.00 38.18 ATOM 1003 HB2 GLU 64 -8.860 -25.706 29.873 1.00 54.42 ATOM 1004 CG GLU 64 -10.306 -27.216 29.513 1.00 51.31 ATOM 1005 HG1 GLU 64 -10.710 -26.581 28.744 1.00 38.18 ATOM 1006 HG2 GLU 64 -11.121 -27.668 30.064 1.00 61.45 ATOM 1007 CD GLU 64 -9.506 -28.324 28.857 1.00 72.32 ATOM 1008 OE1 GLU 64 -8.683 -28.018 27.970 1.00 41.55 ATOM 1009 OE2 GLU 64 -9.704 -29.499 29.231 1.00 21.24 ATOM 1010 C GLU 64 -9.425 -25.075 32.600 1.00 1.01 ATOM 1011 O GLU 64 -8.570 -25.815 33.088 1.00 14.31 ATOM 1012 N ARG 65 -9.642 -23.837 33.032 1.00 53.15 ATOM 1013 HN ARG 65 -10.326 -23.276 32.632 1.00 38.18 ATOM 1014 CA ARG 65 -8.871 -23.263 34.127 1.00 24.24 ATOM 1015 HA ARG 65 -9.111 -22.213 34.188 1.00 42.14 ATOM 1016 CB ARG 65 -9.242 -23.938 35.449 1.00 62.50 ATOM 1017 HB1 ARG 65 -8.783 -23.394 36.262 1.00 38.18 ATOM 1018 HB2 ARG 65 -8.863 -24.952 35.448 1.00 73.14 ATOM 1019 CG ARG 65 -10.739 -24.004 35.700 1.00 74.12 ATOM 1020 HG1 ARG 65 -10.911 -24.497 36.646 1.00 38.18 ATOM 1021 HG2 ARG 65 -11.208 -24.569 34.909 1.00 24.21 ATOM 1022 CD ARG 65 -11.357 -22.615 35.750 1.00 72.41 ATOM 1023 HD1 ARG 65 -12.415 -22.719 35.947 1.00 38.18 ATOM 1024 HD2 ARG 65 -11.221 -22.145 34.787 1.00 3.14 ATOM 1025 NE ARG 65 -10.762 -21.789 36.797 1.00 35.20 ATOM 1026 HE ARG 65 -10.274 -22.245 37.522 1.00 5.12 ATOM 1027 CZ ARG 65 -10.849 -20.464 36.826 1.00 73.03 ATOM 1028 NH1 ARG 65 -11.503 -19.818 35.870 1.00 73.40 ATOM 1029 HH11 ARG 65 -11.943 -20.300 35.118 1.00 0.11 ATOM 1030 HH12 ARG 65 -11.559 -18.818 35.901 1.00 72.55 ATOM 1031 NH2 ARG 65 -10.282 -19.782 37.812 1.00 5.11 ATOM 1032 HH21 ARG 65 -9.787 -20.264 38.538 1.00 22.14 ATOM 1033 HH22 ARG 65 -10.346 -18.782 37.836 1.00 52.23 ATOM 1034 C ARG 65 -7.373 -23.409 33.872 1.00 12.35 ATOM 1035 O ARG 65 -6.585 -23.550 34.808 1.00 72.43 ATOM 1036 N ARG 66 -6.989 -23.373 32.601 1.00 65.01 ATOM 1037 HN ARG 66 -7.644 -23.201 31.889 1.00 38.18 ATOM 1038 CA ARG 66 -5.586 -23.503 32.223 1.00 54.41 ATOM 1039 HA ARG 66 -5.020 -23.865 33.077 1.00 74.22 ATOM 1040 CB ARG 66 -5.435 -24.511 31.083 1.00 64.41 ATOM 1041 HB1 ARG 66 -4.432 -24.428 30.676 1.00 38.18 ATOM 1042 HB2 ARG 66 -6.144 -24.275 30.308 1.00 21.43 ATOM 1043 CG ARG 66 -5.659 -25.952 31.511 1.00 70.51 ATOM 1044 HG1 ARG 66 -6.720 -26.149 31.513 1.00 38.18 ATOM 1045 HG2 ARG 66 -5.261 -26.101 32.507 1.00 11.14 ATOM 1046 CD ARG 66 -4.974 -26.927 30.566 1.00 72.31 ATOM 1047 HD1 ARG 66 -3.969 -27.088 30.929 1.00 38.18 ATOM 1048 HD2 ARG 66 -4.935 -26.505 29.568 1.00 10.32 ATOM 1049 NE ARG 66 -5.673 -28.208 30.500 1.00 52.13 ATOM 1050 HE ARG 66 -6.598 -28.248 30.840 1.00 51.24 ATOM 1051 CZ ARG 66 -5.133 -29.315 30.003 1.00 72.13 ATOM 1052 NH1 ARG 66 -3.894 -29.298 29.531 1.00 30.54 ATOM 1053 HH11 ARG 66 -3.344 -28.466 29.534 1.00 11.24 ATOM 1054 HH12 ARG 66 -3.495 -30.140 29.161 1.00 53.13 ATOM 1055 NH2 ARG 66 -5.833 -30.442 29.977 1.00 62.30 ATOM 1056 HH21 ARG 66 -6.770 -30.461 30.332 1.00 52.34 ATOM 1057 HH22 ARG 66 -5.428 -31.279 29.602 1.00 43.23 ATOM 1058 C ARG 66 -5.010 -22.154 31.803 1.00 4.21 ATOM 1059 O ARG 66 -5.694 -21.340 31.182 1.00 21.22 ATOM 1060 N VAL 67 -3.746 -21.923 32.147 1.00 73.33 ATOM 1061 HN VAL 67 -3.244 -22.611 32.646 1.00 38.18 ATOM 1062 CA VAL 67 -3.077 -20.674 31.805 1.00 1.13 ATOM 1063 HA VAL 67 -3.825 -19.908 31.621 1.00 11.11 ATOM 1064 CB VAL 67 -2.177 -20.186 32.957 1.00 73.45 ATOM 1065 HB VAL 67 -1.427 -20.941 33.152 1.00 74.12 ATOM 1066 CG1 VAL 67 -1.465 -18.899 32.570 1.00 71.25 ATOM 1067 HG11 VAL 67 -1.167 -18.356 33.459 1.00 5.43 ATOM 1068 HG12 VAL 67 -2.111 -18.271 31.970 1.00 65.11 ATOM 1069 HG13 VAL 67 -0.587 -19.149 32.012 1.00 34.10 ATOM 1070 CG2 VAL 67 -2.994 -19.993 34.225 1.00 11.21 ATOM 1071 HG21 VAL 67 -3.452 -20.930 34.509 1.00 14.22 ATOM 1072 HG22 VAL 67 -3.765 -19.255 34.053 1.00 2.21 ATOM 1073 HG23 VAL 67 -2.348 -19.657 35.025 1.00 31.25 ATOM 1074 C VAL 67 -2.232 -20.829 30.546 1.00 73.33 ATOM 1075 O VAL 67 -1.984 -19.860 29.828 1.00 52.11 ATOM 1076 N HIS 68 -1.793 -22.056 30.282 1.00 41.10 ATOM 1077 HN HIS 68 -2.009 -22.802 30.884 1.00 38.18 ATOM 1078 CA HIS 68 -0.976 -22.339 29.107 1.00 32.22 ATOM 1079 HA HIS 68 -0.632 -21.412 28.695 1.00 71.44 ATOM 1080 CB HIS 68 0.235 -23.188 29.495 1.00 43.42 ATOM 1081 HB1 HIS 68 0.579 -23.752 28.634 1.00 38.18 ATOM 1082 HB2 HIS 68 -0.047 -23.880 30.275 1.00 73.30 ATOM 1083 CG HIS 68 1.394 -22.383 29.997 1.00 44.45 ATOM 1084 ND1 HIS 68 1.248 -21.276 30.807 1.00 71.35 ATOM 1085 HD1 HIS 68 0.403 -20.915 31.136 1.00 53.23 ATOM 1086 CD2 HIS 68 2.726 -22.530 29.800 1.00 15.32 ATOM 1087 HD2 HIS 68 3.206 -23.300 29.212 1.00 44.20 ATOM 1088 CE1 HIS 68 2.439 -20.777 31.085 1.00 13.32 ATOM 1089 HE1 HIS 68 2.633 -19.910 31.699 1.00 32.32 ATOM 1090 NE2 HIS 68 3.353 -21.519 30.487 1.00 74.30 ATOM 1091 HE2 HIS 68 4.311 -21.315 30.450 1.00 38.18 ATOM 1092 C HIS 68 -1.794 -23.057 28.038 1.00 64.24 ATOM 1093 O HIS 68 -2.603 -23.933 28.344 1.00 63.13 ATOM 1094 N VAL 69 -1.577 -22.680 26.781 1.00 13.25 ATOM 1095 HN VAL 69 -0.907 -21.982 26.591 1.00 38.18 ATOM 1096 CA VAL 69 -2.293 -23.288 25.666 1.00 15.44 ATOM 1097 HA VAL 69 -3.231 -23.695 26.036 1.00 53.21 ATOM 1098 CB VAL 69 -2.629 -22.247 24.581 1.00 31.51 ATOM 1099 HB VAL 69 -1.708 -21.915 24.120 1.00 4.23 ATOM 1100 CG1 VAL 69 -3.501 -22.867 23.499 1.00 11.54 ATOM 1101 HG11 VAL 69 -2.945 -23.615 22.958 1.00 22.54 ATOM 1102 HG12 VAL 69 -3.814 -22.099 22.806 1.00 11.10 ATOM 1103 HG13 VAL 69 -4.374 -23.319 23.948 1.00 64.41 ATOM 1104 CG2 VAL 69 -3.310 -21.035 25.198 1.00 75.40 ATOM 1105 HG21 VAL 69 -4.213 -21.344 25.706 1.00 72.15 ATOM 1106 HG22 VAL 69 -3.561 -20.325 24.421 1.00 34.13 ATOM 1107 HG23 VAL 69 -2.645 -20.562 25.905 1.00 54.11 ATOM 1108 C VAL 69 -1.480 -24.415 25.040 1.00 34.02 ATOM 1109 O VAL 69 -0.251 -24.360 24.998 1.00 22.32 ATOM 1110 N THR 70 -2.175 -25.439 24.553 1.00 12.51 ATOM 1111 HN THR 70 -3.158 -25.433 24.607 1.00 38.18 ATOM 1112 CA THR 70 -1.518 -26.580 23.929 1.00 35.22 ATOM 1113 HA THR 70 -0.445 -26.491 24.053 1.00 3.22 ATOM 1114 CB THR 70 -1.953 -27.905 24.584 1.00 71.12 ATOM 1115 HB THR 70 -1.324 -28.700 24.209 1.00 14.43 ATOM 1116 OG1 THR 70 -3.316 -28.192 24.251 1.00 62.25 ATOM 1117 HG1 THR 70 -3.913 -27.632 24.754 1.00 71.55 ATOM 1118 CG2 THR 70 -1.799 -27.838 26.096 1.00 42.23 ATOM 1119 HG21 THR 70 -0.776 -27.594 26.349 1.00 3.22 ATOM 1120 HG22 THR 70 -2.053 -28.797 26.523 1.00 71.44 ATOM 1121 HG23 THR 70 -2.460 -27.083 26.496 1.00 43.10 ATOM 1122 C THR 70 -1.822 -26.641 22.436 1.00 5.35 ATOM 1123 O THR 70 -2.782 -26.033 21.964 1.00 1.14 ATOM 1124 N GLN 71 -0.997 -27.378 21.699 1.00 10.33 ATOM 1125 HN GLN 71 -0.241 -27.839 22.136 1.00 38.18 ATOM 1126 CA GLN 71 -1.178 -27.517 20.259 1.00 12.22 ATOM 1127 HA GLN 71 -0.990 -26.555 19.806 1.00 4.33 ATOM 1128 CB GLN 71 -0.184 -28.533 19.695 1.00 75.44 ATOM 1129 HB1 GLN 71 -0.243 -29.435 20.288 1.00 38.18 ATOM 1130 HB2 GLN 71 0.813 -28.133 19.768 1.00 54.31 ATOM 1131 CG GLN 71 -0.448 -28.900 18.243 1.00 20.31 ATOM 1132 HG1 GLN 71 -0.346 -28.009 17.650 1.00 38.18 ATOM 1133 HG2 GLN 71 -1.449 -29.289 18.143 1.00 24.30 ATOM 1134 CD GLN 71 0.510 -29.954 17.724 1.00 22.45 ATOM 1135 OE1 GLN 71 0.552 -31.076 18.232 1.00 53.32 ATOM 1136 NE2 GLN 71 1.287 -29.600 16.708 1.00 41.33 ATOM 1137 HE21 GLN 71 1.217 -28.690 16.340 1.00 1.22 ATOM 1138 HE22 GLN 71 1.904 -30.275 16.356 1.00 2.12 ATOM 1139 C GLN 71 -2.604 -27.945 19.929 1.00 54.52 ATOM 1140 O GLN 71 -3.221 -27.417 19.004 1.00 35.20 ATOM 1141 N GLU 72 -3.121 -28.904 20.691 1.00 40.42 ATOM 1142 HN GLU 72 -2.585 -29.270 21.426 1.00 38.18 ATOM 1143 CA GLU 72 -4.474 -29.402 20.477 1.00 34.30 ATOM 1144 HA GLU 72 -4.490 -29.916 19.540 1.00 23.02 ATOM 1145 CB GLU 72 -4.859 -30.389 21.582 1.00 43.13 ATOM 1146 HB1 GLU 72 -5.932 -30.542 21.565 1.00 38.18 ATOM 1147 HB2 GLU 72 -4.588 -29.969 22.541 1.00 45.32 ATOM 1148 CG GLU 72 -4.202 -31.751 21.436 1.00 20.44 ATOM 1149 HG1 GLU 72 -4.218 -32.049 20.396 1.00 38.18 ATOM 1150 HG2 GLU 72 -4.764 -32.466 22.018 1.00 50.32 ATOM 1151 CD GLU 72 -2.766 -31.762 21.924 1.00 33.05 ATOM 1152 OE1 GLU 72 -2.547 -32.061 23.117 1.00 44.23 ATOM 1153 OE2 GLU 72 -1.862 -31.472 21.113 1.00 14.40 ATOM 1154 C GLU 72 -5.477 -28.253 20.435 1.00 74.11 ATOM 1155 O GLU 72 -6.401 -28.250 19.620 1.00 23.45 ATOM 1156 N ASP 73 -5.289 -27.279 21.318 1.00 13.12 ATOM 1157 HN ASP 73 -4.529 -27.334 21.943 1.00 38.18 ATOM 1158 CA ASP 73 -6.176 -26.123 21.383 1.00 74.34 ATOM 1159 HA ASP 73 -7.189 -26.481 21.512 1.00 32.20 ATOM 1160 CB ASP 73 -5.813 -25.240 22.577 1.00 24.22 ATOM 1161 HB1 ASP 73 -6.524 -24.429 22.653 1.00 38.18 ATOM 1162 HB2 ASP 73 -4.830 -24.839 22.426 1.00 43.12 ATOM 1163 CG ASP 73 -5.818 -26.006 23.886 1.00 42.32 ATOM 1164 OD1 ASP 73 -5.158 -25.549 24.842 1.00 11.15 ATOM 1165 OD2 ASP 73 -6.481 -27.062 23.953 1.00 23.11 ATOM 1166 C ASP 73 -6.105 -25.311 20.093 1.00 10.13 ATOM 1167 O ASP 73 -7.105 -24.749 19.645 1.00 24.02 ATOM 1168 N PHE 74 -4.916 -25.252 19.502 1.00 74.41 ATOM 1169 HN PHE 74 -4.146 -25.702 19.915 1.00 38.18 ATOM 1170 CA PHE 74 -4.714 -24.507 18.265 1.00 2.11 ATOM 1171 HA PHE 74 -5.162 -23.526 18.383 1.00 72.32 ATOM 1172 CB PHE 74 -3.219 -24.349 17.979 1.00 70.43 ATOM 1173 HB1 PHE 74 -3.050 -24.340 16.925 1.00 38.18 ATOM 1174 HB2 PHE 74 -2.681 -25.187 18.395 1.00 65.54 ATOM 1175 CG PHE 74 -2.630 -23.089 18.545 1.00 63.31 ATOM 1176 CD1 PHE 74 -1.936 -23.111 19.744 1.00 64.12 ATOM 1177 HD1 PHE 74 -1.823 -24.044 20.276 1.00 21.13 ATOM 1178 CD2 PHE 74 -2.770 -21.883 17.878 1.00 14.33 ATOM 1179 HD2 PHE 74 -3.309 -21.849 16.941 1.00 21.31 ATOM 1180 CE1 PHE 74 -1.392 -21.953 20.267 1.00 23.35 ATOM 1181 HE1 PHE 74 -0.865 -21.988 21.201 1.00 4.43 ATOM 1182 CE2 PHE 74 -2.228 -20.722 18.397 1.00 53.12 ATOM 1183 HE2 PHE 74 -2.345 -19.788 17.868 1.00 13.31 ATOM 1184 CZ PHE 74 -1.539 -20.757 19.593 1.00 13.14 ATOM 1185 HZ PHE 74 -1.115 -19.851 20.000 1.00 24.43 ATOM 1186 C PHE 74 -5.397 -25.203 17.092 1.00 33.51 ATOM 1187 O PHE 74 -6.217 -24.606 16.395 1.00 21.50 ATOM 1188 N GLU 75 -5.053 -26.470 16.881 1.00 5.01 ATOM 1189 HN GLU 75 -4.369 -26.876 17.461 1.00 38.18 ATOM 1190 CA GLU 75 -5.632 -27.247 15.792 1.00 63.32 ATOM 1191 HA GLU 75 -5.409 -26.741 14.862 1.00 14.32 ATOM 1192 CB GLU 75 -5.015 -28.647 15.751 1.00 75.22 ATOM 1193 HB1 GLU 75 -3.974 -28.569 15.508 1.00 38.18 ATOM 1194 HB2 GLU 75 -5.505 -29.224 14.976 1.00 30.14 ATOM 1195 CG GLU 75 -5.140 -29.406 17.062 1.00 44.53 ATOM 1196 HG1 GLU 75 -6.179 -29.466 17.344 1.00 38.18 ATOM 1197 HG2 GLU 75 -4.598 -28.878 17.811 1.00 60.15 ATOM 1198 CD GLU 75 -4.589 -30.816 16.974 1.00 3.44 ATOM 1199 OE1 GLU 75 -5.398 -31.765 16.910 1.00 3.04 ATOM 1200 OE2 GLU 75 -3.350 -30.970 16.970 1.00 3.13 ATOM 1201 C GLU 75 -7.147 -27.351 15.943 1.00 43.21 ATOM 1202 O GLU 75 -7.878 -27.392 14.954 1.00 11.50 ATOM 1203 N MET 76 -7.610 -27.393 17.188 1.00 63.51 ATOM 1204 HN MET 76 -6.978 -27.374 17.944 1.00 38.18 ATOM 1205 CA MET 76 -9.037 -27.492 17.469 1.00 53.31 ATOM 1206 HA MET 76 -9.422 -28.340 16.921 1.00 43.51 ATOM 1207 CB MET 76 -9.271 -27.687 18.968 1.00 35.21 ATOM 1208 HB1 MET 76 -10.190 -27.199 19.261 1.00 38.18 ATOM 1209 HB2 MET 76 -8.467 -27.223 19.516 1.00 11.44 ATOM 1210 CG MET 76 -9.351 -29.147 19.385 1.00 0.45 ATOM 1211 HG1 MET 76 -9.372 -29.196 20.464 1.00 38.18 ATOM 1212 HG2 MET 76 -8.475 -29.665 19.022 1.00 21.14 ATOM 1213 SD MET 76 -10.819 -29.974 18.743 1.00 3.21 ATOM 1214 CE MET 76 -12.116 -28.972 19.466 1.00 44.00 ATOM 1215 HE1 MET 76 -12.189 -28.036 18.932 1.00 61.50 ATOM 1216 HE2 MET 76 -11.885 -28.777 20.503 1.00 55.43 ATOM 1217 HE3 MET 76 -13.057 -29.499 19.400 1.00 55.14 ATOM 1218 C MET 76 -9.773 -26.246 16.986 1.00 75.24 ATOM 1219 O MET 76 -10.803 -26.342 16.318 1.00 21.21 ATOM 1220 N ALA 77 -9.239 -25.078 17.327 1.00 30.34 ATOM 1221 HN ALA 77 -8.414 -25.064 17.870 1.00 38.18 ATOM 1222 CA ALA 77 -9.845 -23.815 16.927 1.00 44.54 ATOM 1223 HA ALA 77 -10.835 -23.764 17.360 1.00 23.42 ATOM 1224 CB ALA 77 -9.035 -22.646 17.468 1.00 3.13 ATOM 1225 HB1 ALA 77 -7.987 -22.814 17.274 1.00 74.20 ATOM 1226 HB2 ALA 77 -9.189 -22.568 18.533 1.00 63.13 ATOM 1227 HB3 ALA 77 -9.346 -21.734 16.994 1.00 64.11 ATOM 1228 C ALA 77 -9.964 -23.720 15.409 1.00 11.33 ATOM 1229 O ALA 77 -10.947 -23.195 14.885 1.00 4.34 ATOM 1230 N VAL 78 -8.957 -24.231 14.708 1.00 50.40 ATOM 1231 HN VAL 78 -8.204 -24.650 15.182 1.00 38.18 ATOM 1232 CA VAL 78 -8.950 -24.204 13.250 1.00 4.22 ATOM 1233 HA VAL 78 -8.991 -23.169 12.932 1.00 32.10 ATOM 1234 CB VAL 78 -7.664 -24.836 12.684 1.00 51.42 ATOM 1235 HB VAL 78 -7.611 -25.864 13.015 1.00 73.32 ATOM 1236 CG1 VAL 78 -7.691 -24.828 11.163 1.00 25.10 ATOM 1237 HG11 VAL 78 -8.411 -25.547 10.802 1.00 0.31 ATOM 1238 HG12 VAL 78 -6.714 -25.095 10.791 1.00 71.34 ATOM 1239 HG13 VAL 78 -7.952 -23.842 10.802 1.00 71.20 ATOM 1240 CG2 VAL 78 -6.437 -24.106 13.208 1.00 44.44 ATOM 1241 HG21 VAL 78 -6.444 -23.087 12.854 1.00 51.34 ATOM 1242 HG22 VAL 78 -5.545 -24.600 12.850 1.00 11.32 ATOM 1243 HG23 VAL 78 -6.431 -24.108 14.275 1.00 63.54 ATOM 1244 C VAL 78 -10.158 -24.939 12.681 1.00 43.01 ATOM 1245 O VAL 78 -10.848 -24.429 11.799 1.00 33.31 ATOM 1246 N ALA 79 -10.407 -26.140 13.192 1.00 72.23 ATOM 1247 HN ALA 79 -9.814 -26.499 13.895 1.00 38.18 ATOM 1248 CA ALA 79 -11.534 -26.945 12.736 1.00 23.11 ATOM 1249 HA ALA 79 -11.438 -27.088 11.667 1.00 62.00 ATOM 1250 CB ALA 79 -11.504 -28.316 13.396 1.00 40.04 ATOM 1251 HB1 ALA 79 -10.560 -28.795 13.183 1.00 71.31 ATOM 1252 HB2 ALA 79 -12.309 -28.925 13.008 1.00 51.52 ATOM 1253 HB3 ALA 79 -11.617 -28.208 14.466 1.00 34.23 ATOM 1254 C ALA 79 -12.859 -26.247 13.022 1.00 2.14 ATOM 1255 O ALA 79 -13.861 -26.493 12.351 1.00 64.54 ATOM 1256 N LYS 80 -12.858 -25.374 14.025 1.00 60.54 ATOM 1257 HN LYS 80 -12.046 -25.237 14.556 1.00 38.18 ATOM 1258 CA LYS 80 -14.060 -24.639 14.401 1.00 64.24 ATOM 1259 HA LYS 80 -14.923 -25.274 14.234 1.00 63.11 ATOM 1260 CB LYS 80 -14.012 -24.268 15.885 1.00 60.15 ATOM 1261 HB1 LYS 80 -13.138 -23.657 16.064 1.00 38.18 ATOM 1262 HB2 LYS 80 -13.920 -25.181 16.457 1.00 5.24 ATOM 1263 CG LYS 80 -15.234 -23.502 16.359 1.00 15.05 ATOM 1264 HG1 LYS 80 -16.112 -23.846 15.826 1.00 38.18 ATOM 1265 HG2 LYS 80 -15.081 -22.453 16.150 1.00 75.32 ATOM 1266 CD LYS 80 -15.451 -23.668 17.854 1.00 24.13 ATOM 1267 HD1 LYS 80 -16.087 -22.865 18.200 1.00 38.18 ATOM 1268 HD2 LYS 80 -14.502 -23.613 18.365 1.00 31.11 ATOM 1269 CE LYS 80 -16.122 -24.994 18.176 1.00 21.34 ATOM 1270 HE1 LYS 80 -16.010 -25.200 19.222 1.00 38.18 ATOM 1271 HE2 LYS 80 -15.661 -25.788 17.608 1.00 73.42 ATOM 1272 NZ LYS 80 -17.580 -24.965 17.876 1.00 32.31 ATOM 1273 HZ1 LYS 80 -17.740 -24.803 16.861 1.00 34.54 ATOM 1274 HZ2 LYS 80 -18.047 -24.206 18.415 1.00 10.21 ATOM 1275 HZ3 LYS 80 -18.013 -25.873 18.140 1.00 62.11 ATOM 1276 C LYS 80 -14.213 -23.379 13.555 1.00 11.12 ATOM 1277 O LYS 80 -15.327 -22.977 13.218 1.00 20.22 ATOM 1278 N VAL 81 -13.087 -22.760 13.214 1.00 14.54 ATOM 1279 HN VAL 81 -12.220 -23.118 13.515 1.00 38.18 ATOM 1280 CA VAL 81 -13.097 -21.546 12.406 1.00 60.21 ATOM 1281 HA VAL 81 -13.906 -20.909 12.751 1.00 1.23 ATOM 1282 CB VAL 81 -11.777 -20.765 12.550 1.00 32.31 ATOM 1283 HB VAL 81 -10.965 -21.398 12.219 1.00 1.34 ATOM 1284 CG1 VAL 81 -11.795 -19.520 11.677 1.00 72.13 ATOM 1285 HG11 VAL 81 -10.929 -18.909 11.897 1.00 60.22 ATOM 1286 HG12 VAL 81 -12.691 -18.947 11.871 1.00 54.41 ATOM 1287 HG13 VAL 81 -11.766 -19.800 10.635 1.00 5.53 ATOM 1288 CG2 VAL 81 -11.530 -20.402 14.006 1.00 13.54 ATOM 1289 HG21 VAL 81 -12.277 -19.689 14.330 1.00 20.55 ATOM 1290 HG22 VAL 81 -10.552 -19.958 14.106 1.00 12.14 ATOM 1291 HG23 VAL 81 -11.587 -21.270 14.626 1.00 41.34 ATOM 1292 C VAL 81 -13.326 -21.869 10.934 1.00 43.35 ATOM 1293 O VAL 81 -13.948 -21.094 10.208 1.00 71.14 ATOM 1294 N MET 82 -12.818 -23.018 10.499 1.00 13.24 ATOM 1295 HN MET 82 -12.322 -23.602 11.117 1.00 38.18 ATOM 1296 CA MET 82 -12.969 -23.444 9.113 1.00 40.11 ATOM 1297 HA MET 82 -13.134 -22.574 8.492 1.00 42.22 ATOM 1298 CB MET 82 -11.700 -24.152 8.634 1.00 75.50 ATOM 1299 HB1 MET 82 -11.835 -24.475 7.609 1.00 38.18 ATOM 1300 HB2 MET 82 -11.534 -25.023 9.254 1.00 33.35 ATOM 1301 CG MET 82 -10.455 -23.284 8.708 1.00 62.43 ATOM 1302 HG1 MET 82 -9.594 -23.902 8.500 1.00 38.18 ATOM 1303 HG2 MET 82 -10.366 -22.874 9.704 1.00 25.42 ATOM 1304 SD MET 82 -10.485 -21.925 7.524 1.00 45.05 ATOM 1305 CE MET 82 -10.147 -22.799 5.997 1.00 51.53 ATOM 1306 HE1 MET 82 -10.340 -23.855 6.120 1.00 0.35 ATOM 1307 HE2 MET 82 -9.114 -22.654 5.721 1.00 61.51 ATOM 1308 HE3 MET 82 -10.784 -22.411 5.217 1.00 23.44 ATOM 1309 C MET 82 -14.172 -24.369 8.956 1.00 0.40 ATOM 1310 O MET 82 -14.772 -24.443 7.884 1.00 14.04 ATOM 1311 N GLN 83 -14.517 -25.071 10.030 1.00 11.34 ATOM 1312 HN GLN 83 -14.003 -24.995 10.860 1.00 38.18 ATOM 1313 CA GLN 83 -15.648 -25.991 10.010 1.00 0.01 ATOM 1314 HA GLN 83 -15.718 -26.463 10.975 1.00 61.23 ATOM 1315 CB GLN 83 -16.948 -25.230 9.743 1.00 45.40 ATOM 1316 HB1 GLN 83 -17.779 -25.893 9.940 1.00 38.18 ATOM 1317 HB2 GLN 83 -16.983 -24.925 8.705 1.00 64.10 ATOM 1318 CG GLN 83 -17.115 -23.990 10.606 1.00 4.44 ATOM 1319 HG1 GLN 83 -16.297 -23.313 10.405 1.00 38.18 ATOM 1320 HG2 GLN 83 -17.085 -24.287 11.645 1.00 25.13 ATOM 1321 CD GLN 83 -18.427 -23.274 10.352 1.00 22.15 ATOM 1322 OE1 GLN 83 -19.503 -23.841 10.544 1.00 52.35 ATOM 1323 NE2 GLN 83 -18.344 -22.022 9.919 1.00 12.44 ATOM 1324 HE21 GLN 83 -17.458 -21.617 9.783 1.00 74.44 ATOM 1325 HE22 GLN 83 -19.182 -21.544 9.750 1.00 5.24 ATOM 1326 C GLN 83 -15.451 -27.072 8.952 1.00 13.31 ATOM 1327 O GLN 83 -16.328 -27.309 8.121 1.00 33.43 ATOM 1328 N LYS 84 -14.294 -27.724 8.988 1.00 53.02 ATOM 1329 HN LYS 84 -13.633 -27.501 9.687 1.00 38.18 ATOM 1330 CA LYS 84 -13.981 -28.781 8.033 1.00 14.31 ATOM 1331 HA LYS 84 -14.540 -28.589 7.120 1.00 23.30 ATOM 1332 CB LYS 84 -12.488 -28.769 7.699 1.00 0.21 ATOM 1333 HB1 LYS 84 -11.935 -29.329 8.446 1.00 38.18 ATOM 1334 HB2 LYS 84 -12.142 -27.743 7.720 1.00 71.22 ATOM 1335 CG LYS 84 -12.168 -29.325 6.322 1.00 12.14 ATOM 1336 HG1 LYS 84 -11.248 -28.875 5.971 1.00 38.18 ATOM 1337 HG2 LYS 84 -12.967 -29.070 5.636 1.00 22.50 ATOM 1338 CD LYS 84 -12.018 -30.837 6.353 1.00 44.41 ATOM 1339 HD1 LYS 84 -12.299 -31.226 5.385 1.00 38.18 ATOM 1340 HD2 LYS 84 -12.653 -31.272 7.103 1.00 11.33 ATOM 1341 CE LYS 84 -10.581 -31.248 6.634 1.00 25.03 ATOM 1342 HE1 LYS 84 -10.374 -31.090 7.682 1.00 38.18 ATOM 1343 HE2 LYS 84 -9.910 -30.641 6.039 1.00 12.24 ATOM 1344 NZ LYS 84 -10.339 -32.680 6.305 1.00 30.24 ATOM 1345 HZ1 LYS 84 -10.631 -33.275 7.101 1.00 75.04 ATOM 1346 HZ2 LYS 84 -9.326 -32.835 6.131 1.00 2.43 ATOM 1347 HZ3 LYS 84 -10.869 -32.967 5.453 1.00 32.34 ATOM 1348 C LYS 84 -14.379 -30.147 8.584 1.00 51.53 ATOM 1349 O LYS 84 -13.859 -30.589 9.608 1.00 11.43 ATOM 1350 N ASP 85 -15.302 -30.810 7.896 1.00 20.35 ATOM 1351 HN ASP 85 -15.687 -30.414 7.081 1.00 38.18 ATOM 1352 CA ASP 85 -15.767 -32.127 8.316 1.00 72.45 ATOM 1353 HA ASP 85 -15.248 -32.406 9.229 1.00 22.10 ATOM 1354 CB ASP 85 -17.269 -32.094 8.601 1.00 75.21 ATOM 1355 HB1 ASP 85 -17.832 -32.268 7.693 1.00 38.18 ATOM 1356 HB2 ASP 85 -17.532 -31.119 8.989 1.00 74.42 ATOM 1357 CG ASP 85 -17.686 -33.127 9.630 1.00 53.32 ATOM 1358 OD1 ASP 85 -18.562 -32.813 10.463 1.00 24.33 ATOM 1359 OD2 ASP 85 -17.136 -34.248 9.602 1.00 14.12 ATOM 1360 C ASP 85 -15.462 -33.176 7.250 1.00 14.21 ATOM 1361 O ASP 85 -16.174 -33.285 6.251 1.00 25.24 ATOM 1362 N SER 86 -14.400 -33.944 7.470 1.00 41.34 ATOM 1363 HN SER 86 -13.872 -33.815 8.295 1.00 38.18 ATOM 1364 HA SER 86 -13.917 -34.531 5.544 1.00 75.44 ATOM 1365 CB SER 86 -12.634 -35.553 6.916 1.00 62.01 ATOM 1366 HB1 SER 86 -12.738 -36.213 7.768 1.00 38.18 ATOM 1367 HB2 SER 86 -11.973 -34.748 7.174 1.00 65.00 ATOM 1368 OG SER 86 -12.061 -36.281 5.843 1.00 1.14 ATOM 1369 HG SER 86 -11.166 -36.541 6.074 1.00 72.01 ATOM 1370 CA SER 86 -13.998 -34.980 6.526 1.00 23.20 ATOM 1371 C SER 86 -15.035 -36.098 6.472 1.00 1.21 ATOM 1372 OT1 SER 86 -15.534 -36.389 5.364 1.00 38.18 ATOM 1373 OT2 SER 86 -15.352 -36.669 7.539 1.00 38.18 ATOM 1374 OH2 TIP3 1 -13.859 -28.214 -1.659 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -13.659 -27.790 -2.494 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -13.203 -27.871 -1.052 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -17.258 -32.232 -1.435 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -17.609 -33.088 -1.192 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -16.532 -32.089 -0.828 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -18.726 -37.041 -0.758 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -17.773 -36.957 -0.786 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -18.886 -37.752 -0.139 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -16.996 -40.533 -0.193 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -16.804 -41.464 -0.304 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -16.139 -40.108 -0.203 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -15.680 -37.744 -2.115 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -15.961 -37.035 -2.693 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -14.737 -37.817 -2.266 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -13.416 -34.195 -0.223 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -14.282 -34.300 0.171 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -13.040 -33.436 0.224 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -19.011 -37.790 10.252 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -19.049 -38.436 10.957 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -19.334 -38.256 9.481 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -25.719 -33.725 10.380 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -26.089 -34.527 10.011 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -24.778 -33.894 10.427 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -17.481 -40.963 10.986 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -17.338 -41.910 11.006 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -17.587 -40.756 10.057 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -16.604 -42.731 6.659 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -15.958 -43.060 7.284 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.094 -42.213 6.036 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -22.550 -38.915 8.236 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -21.934 -39.441 8.745 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -23.136 -39.555 7.832 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -22.947 -36.268 12.620 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -23.687 -35.670 12.723 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -22.233 -35.714 12.304 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -14.840 -43.440 8.640 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -15.055 -44.206 9.172 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -14.184 -42.968 9.153 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -24.539 -34.304 13.407 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -24.545 -33.425 13.029 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -25.393 -34.387 13.832 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -13.696 -34.763 14.513 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -13.556 -35.354 13.774 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -13.528 -33.890 14.157 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -19.223 -37.801 4.285 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -19.935 -37.266 3.934 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -18.532 -37.745 3.625 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -19.169 -39.343 1.324 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -18.468 -39.321 1.975 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -18.867 -39.971 0.668 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -11.854 -38.423 12.579 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -12.506 -37.728 12.668 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -11.389 -38.213 11.769 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -15.920 -39.417 14.305 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -15.840 -38.654 14.877 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -16.521 -39.138 13.614 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -24.172 -36.961 7.120 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -24.502 -37.331 6.301 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -23.584 -37.631 7.466 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -22.805 -33.533 9.801 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -22.900 -34.111 9.044 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -22.076 -33.904 10.297 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -23.805 -38.192 10.753 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -23.240 -38.071 9.990 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -23.486 -37.555 11.392 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -22.925 -33.793 15.470 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -23.237 -33.011 15.926 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -23.575 -33.946 14.784 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -12.058 -32.313 1.112 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -11.985 -31.374 1.282 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -11.153 -32.618 1.055 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.162 -32.508 14.966 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -20.075 -31.682 15.441 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -21.026 -32.838 15.215 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -19.748 -28.736 4.772 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -19.823 -28.857 3.826 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -19.715 -27.786 4.891 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -16.646 -29.582 1.775 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -16.271 -30.326 1.304 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -16.642 -29.852 2.693 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -15.469 -37.396 0.552 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -15.427 -37.619 -0.378 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -14.620 -36.998 0.742 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -18.597 -40.132 5.387 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -19.006 -39.317 5.095 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -17.877 -40.272 4.772 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -17.593 -40.686 8.201 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -17.788 -40.081 7.486 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -17.411 -41.520 7.766 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -18.329 -39.048 12.872 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -18.005 -39.679 12.229 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -18.769 -39.583 13.533 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -20.231 -40.333 9.543 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -19.667 -40.880 8.996 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -20.379 -40.855 10.332 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -21.061 -35.732 3.642 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -21.805 -36.239 3.319 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -21.195 -35.683 4.588 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -13.911 -36.599 12.428 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -13.269 -36.142 11.885 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -14.741 -36.486 11.966 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -17.163 -42.918 1.841 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -18.101 -42.806 1.690 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -16.866 -42.061 2.147 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -19.541 -35.548 14.879 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.887 -35.929 15.685 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -19.741 -34.614 14.950 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -16.445 -41.051 3.502 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -15.553 -41.188 3.821 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -16.388 -40.260 2.965 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -18.935 -34.273 2.667 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -19.230 -33.447 3.049 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -19.638 -34.893 2.863 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.291 -33.086 14.829 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -18.192 -32.903 14.561 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -17.257 -32.827 15.750 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -11.560 -40.841 3.196 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -12.114 -41.237 2.524 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -11.459 -39.931 2.919 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -11.596 -35.041 16.033 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -12.448 -34.803 15.666 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -11.006 -35.058 15.280 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -23.561 -32.919 6.816 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -23.034 -32.146 6.615 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -24.441 -32.694 6.514 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -22.134 -35.256 6.392 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -22.375 -34.331 6.434 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -22.874 -35.715 6.788 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -21.619 -31.107 12.707 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -21.256 -30.252 12.474 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -21.087 -31.399 13.448 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -23.450 -30.234 5.937 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -24.400 -30.129 5.989 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -23.099 -29.414 6.282 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -15.872 -34.079 1.482 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -15.519 -34.459 2.286 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -16.821 -34.172 1.568 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -15.416 -30.456 14.877 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -16.018 -31.011 14.382 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.135 -29.789 14.251 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -11.368 -29.599 1.683 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -10.625 -29.013 1.543 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -12.063 -29.031 2.016 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -22.844 -33.397 2.385 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -22.697 -33.917 3.175 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -22.847 -32.490 2.691 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -17.775 -43.830 4.271 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -17.555 -43.358 3.468 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -17.217 -43.435 4.942 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -20.106 -31.699 3.134 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -20.923 -31.202 3.187 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -19.577 -31.224 2.494 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -20.575 -42.102 5.106 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -19.763 -41.598 5.152 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -20.820 -42.247 6.020 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -22.768 -30.656 3.116 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -22.607 -29.856 2.615 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -22.965 -30.349 4.001 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -19.743 -31.104 0.067 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -20.387 -31.735 0.389 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -18.981 -31.635 -0.165 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.258 -32.232 17.421 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -17.609 -33.088 17.664 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -16.532 -32.089 18.028 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -15.139 -31.287 0.301 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -14.856 -32.081 0.754 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -14.399 -31.054 -0.260 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -18.832 -34.330 -0.106 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -19.100 -34.150 0.795 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -19.038 -35.256 -0.237 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -16.135 -35.835 14.842 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -15.390 -35.247 14.722 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -16.892 -35.253 14.905 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -12.574 -36.807 0.172 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -12.847 -37.232 -0.641 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -12.534 -35.876 -0.045 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -21.412 -38.348 13.635 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -20.661 -38.504 13.062 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -21.751 -37.496 13.359 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -13.416 -34.195 18.633 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -14.282 -34.300 19.027 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -13.040 -33.436 19.080 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -11.962 -35.100 10.919 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -11.128 -35.478 10.638 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -11.850 -34.157 10.800 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -13.104 -40.744 0.913 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -13.007 -40.077 0.233 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -13.244 -41.560 0.431 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -14.224 -41.781 4.996 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -13.944 -42.688 5.121 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -13.465 -41.347 4.607 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -13.612 -41.200 10.432 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -12.679 -40.988 10.398 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -13.847 -41.098 11.355 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -13.583 -40.463 13.208 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -14.426 -40.195 13.574 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -13.140 -39.641 12.997 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -24.353 -31.558 13.447 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -24.778 -30.749 13.164 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -23.448 -31.473 13.145 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -20.042 -30.159 16.406 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -19.857 -30.493 17.284 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -19.195 -29.850 16.084 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -17.697 -28.874 15.650 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -17.020 -29.506 15.410 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -17.375 -28.472 16.458 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -24.484 -28.702 12.524 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -25.349 -28.630 12.928 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -24.539 -28.155 11.740 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -19.773 -28.814 11.700 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -20.230 -28.285 11.046 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -19.610 -28.211 12.425 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -25.395 -30.969 9.060 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -25.614 -31.885 9.229 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -24.571 -30.829 9.526 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -22.858 -30.499 9.908 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -22.645 -31.387 9.621 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -22.793 -30.533 10.863 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -19.421 -29.245 1.973 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -18.555 -28.879 1.795 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -19.668 -29.685 1.160 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -15.305 -34.851 27.410 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -15.746 -35.571 27.860 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -15.318 -34.130 28.040 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -18.147 -34.444 24.732 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -18.443 -34.766 23.881 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -18.471 -33.544 24.774 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -14.793 -33.011 29.758 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -15.735 -32.953 29.919 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -14.517 -32.105 29.621 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -15.382 -33.329 24.892 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -15.639 -34.019 24.280 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -15.311 -33.772 25.737 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -13.696 -34.763 33.369 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -13.556 -35.354 32.630 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -13.528 -33.890 33.013 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -17.496 -32.689 30.343 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -17.737 -32.027 30.991 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -17.694 -33.523 30.768 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.220 -31.692 25.213 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -18.746 -31.397 25.991 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -19.783 -30.954 24.980 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -11.141 -32.082 34.946 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -11.190 -33.037 34.909 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -11.967 -31.814 35.348 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -19.748 -28.736 23.628 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -19.823 -28.857 22.682 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -19.715 -27.786 23.747 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -16.646 -29.582 20.631 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -16.271 -30.326 20.160 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -16.642 -29.852 21.549 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -16.977 -29.656 23.380 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -17.912 -29.556 23.559 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -16.697 -30.365 23.958 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -13.859 -28.214 36.053 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -13.659 -27.790 35.218 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -13.203 -27.871 36.660 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -17.291 -33.086 33.685 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -18.192 -32.903 33.417 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -17.257 -32.827 34.606 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -13.264 -32.055 22.517 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -13.637 -32.881 22.827 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -12.987 -32.238 21.620 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -21.619 -31.107 31.563 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -21.256 -30.252 31.330 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -21.087 -31.399 32.304 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -18.075 -35.008 31.264 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -18.501 -35.235 32.090 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -17.494 -35.746 31.081 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -15.872 -34.079 20.338 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -15.519 -34.459 21.142 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -16.821 -34.172 20.424 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -15.416 -30.456 33.733 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -16.018 -31.011 33.238 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -15.135 -29.789 33.107 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -15.006 -35.406 22.564 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -15.283 -36.134 23.120 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -14.079 -35.287 22.770 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -20.106 -31.699 21.990 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -20.923 -31.202 22.043 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -19.577 -31.224 21.350 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -19.743 -31.104 18.923 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -20.387 -31.735 19.245 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -18.981 -31.635 18.691 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -12.574 -36.807 19.028 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -12.847 -37.232 18.215 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -12.534 -35.876 18.811 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -22.066 -28.471 20.584 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -21.133 -28.313 20.728 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -22.330 -27.796 19.959 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -11.867 -29.985 32.851 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -12.354 -30.720 32.480 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -11.318 -30.378 33.529 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -12.115 -35.938 23.003 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -11.265 -35.517 23.131 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -12.110 -36.678 23.611 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -11.962 -35.100 29.775 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -11.128 -35.478 29.494 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -11.850 -34.157 29.656 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -13.475 -32.222 32.082 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -14.123 -31.897 32.707 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -13.993 -32.662 31.407 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -17.697 -28.874 34.506 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -17.020 -29.506 34.266 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -17.375 -28.472 35.314 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -19.773 -28.814 30.556 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -20.230 -28.285 29.902 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -19.610 -28.211 31.281 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -17.446 -29.936 31.501 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -18.350 -29.771 31.235 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -17.017 -29.083 31.435 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -22.858 -30.499 28.764 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -22.645 -31.387 28.477 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -22.793 -30.533 29.719 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -19.421 -29.245 20.829 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -18.555 -28.879 20.651 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -19.668 -29.685 20.016 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -12.712 -29.682 23.509 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -12.906 -30.430 22.944 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -12.751 -28.924 22.925 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -13.494 -30.931 35.659 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -14.276 -31.117 35.139 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -13.566 -30.002 35.876 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -11.368 -29.599 39.395 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -10.625 -29.013 39.255 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -12.063 -29.031 39.728 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -15.305 -15.995 -10.302 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -15.746 -16.715 -9.852 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -15.318 -15.274 -9.672 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -18.194 -10.890 -10.090 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -17.574 -11.567 -10.363 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -18.402 -11.108 -9.182 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -20.622 -16.501 -8.198 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -20.318 -17.187 -8.792 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -19.900 -16.383 -7.580 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -11.567 -23.422 -5.101 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -12.256 -22.764 -5.196 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -11.552 -23.619 -4.164 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -16.541 -12.374 -11.329 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -16.116 -13.081 -11.814 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -16.224 -11.573 -11.746 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -11.854 -19.567 -6.277 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -12.506 -18.872 -6.188 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -11.389 -19.357 -7.087 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -15.920 -20.561 -4.551 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -15.840 -19.798 -3.979 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -16.521 -20.282 -5.242 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -22.925 -14.937 -3.386 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -23.237 -14.155 -2.930 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -23.575 -15.090 -4.072 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -20.162 -13.652 -3.890 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -20.075 -12.826 -3.415 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -21.026 -13.982 -3.641 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -13.989 -21.733 -2.286 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -14.396 -21.252 -3.006 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -13.948 -22.638 -2.593 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -13.911 -17.743 -6.428 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -13.269 -17.286 -6.971 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -14.741 -17.630 -6.890 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -19.541 -16.692 -3.977 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -19.887 -17.073 -3.171 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -19.741 -15.758 -3.906 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -16.104 -18.391 -8.173 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -17.032 -18.623 -8.200 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -15.653 -19.168 -8.503 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -21.619 -12.251 -6.149 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -21.256 -11.396 -6.382 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -21.087 -12.543 -5.408 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -18.075 -16.152 -6.448 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -18.501 -16.379 -5.622 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -17.494 -16.890 -6.631 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -16.135 -16.979 -4.014 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -15.390 -16.391 -4.134 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -16.892 -16.397 -3.951 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -18.726 -18.185 -0.758 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -17.773 -18.101 -0.786 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -18.886 -18.896 -0.139 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -16.996 -21.677 -0.193 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -16.804 -22.608 -0.304 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -16.139 -21.252 -0.203 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -15.680 -18.888 -2.115 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -15.961 -18.179 -2.693 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -14.737 -18.961 -2.266 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -11.962 -16.244 -7.937 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -11.128 -16.622 -8.218 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -11.850 -15.301 -8.056 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -13.583 -21.607 -5.648 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -14.426 -21.339 -5.282 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -13.140 -20.785 -5.859 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -11.300 -27.627 -0.294 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -10.950 -28.281 -0.900 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -11.153 -26.790 -0.734 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -11.780 -25.518 -1.945 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -12.697 -25.247 -1.981 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -11.657 -26.053 -2.729 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -14.692 -10.606 -12.211 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -14.039 -10.953 -12.819 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -14.181 -10.117 -11.565 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -24.353 -12.702 -5.409 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -24.778 -11.893 -5.692 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -23.448 -12.617 -5.711 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -20.042 -11.303 -2.450 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -19.857 -11.637 -1.572 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -19.195 -10.994 -2.772 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -19.773 -9.958 -7.156 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -20.230 -9.429 -7.810 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -19.610 -9.355 -6.431 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -22.858 -11.643 -8.948 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -22.645 -12.531 -9.235 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -22.793 -11.677 -7.993 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -17.944 -18.189 6.833 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -17.855 -17.245 6.701 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -18.583 -18.464 6.175 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -15.305 -15.995 8.554 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -15.746 -16.715 9.004 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -15.318 -15.274 9.184 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -20.622 -16.501 10.658 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -20.318 -17.187 10.064 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -19.900 -16.383 11.276 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -24.326 -24.006 8.258 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -24.283 -23.146 7.840 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -24.784 -24.558 7.625 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -22.550 -20.059 8.236 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -21.934 -20.585 8.745 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -23.136 -20.699 7.832 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -25.516 -25.088 12.332 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -25.735 -24.558 11.566 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -26.184 -24.861 12.980 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -18.147 -15.588 5.876 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -18.443 -15.910 5.025 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -18.471 -14.688 5.918 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -22.947 -17.412 12.620 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -23.687 -16.814 12.723 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -22.233 -16.858 12.304 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -25.922 -23.196 10.285 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -25.309 -22.563 10.658 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -25.410 -23.668 9.628 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -14.793 -14.155 10.902 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -15.735 -14.097 11.063 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -14.517 -13.249 10.765 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -21.490 -27.782 9.785 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -21.607 -28.731 9.731 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -22.345 -27.450 10.058 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -16.541 -12.374 7.527 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -16.116 -13.081 7.042 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -16.224 -11.573 7.110 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -15.382 -14.473 6.036 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -15.639 -15.163 5.424 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -15.311 -14.916 6.881 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -19.223 -18.945 4.285 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -19.935 -18.410 3.934 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -18.532 -18.889 3.625 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -15.817 -18.735 5.237 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -16.549 -18.507 5.810 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -15.370 -19.449 5.692 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -24.172 -18.105 7.120 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -24.502 -18.475 6.301 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -23.584 -18.775 7.466 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -23.805 -19.336 10.753 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -23.240 -19.215 9.990 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -23.486 -18.699 11.392 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -16.946 -19.573 2.922 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -16.367 -19.423 3.669 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.532 -19.102 2.199 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -13.248 -27.823 2.735 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -14.147 -27.684 3.030 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -12.996 -26.992 2.333 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -16.646 -10.726 1.775 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -16.271 -11.470 1.304 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -16.642 -10.996 2.693 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -16.977 -10.800 4.524 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -17.912 -10.700 4.703 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -16.697 -11.509 5.102 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -24.221 -26.879 10.563 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -25.082 -26.966 10.155 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -24.243 -26.023 10.990 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -19.558 -27.157 13.937 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -19.138 -27.572 14.690 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -20.491 -27.335 14.054 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -15.469 -18.540 0.552 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -15.427 -18.763 -0.378 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -14.620 -18.142 0.742 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -24.130 -21.913 11.658 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -24.772 -21.954 12.367 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -24.093 -20.987 11.420 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -24.133 -21.692 6.570 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -25.026 -22.033 6.511 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -23.682 -22.069 5.814 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -18.597 -21.276 5.387 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -19.006 -20.461 5.095 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -17.877 -21.416 4.772 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -19.495 -21.101 16.875 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -20.058 -21.805 17.195 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -18.669 -21.221 17.342 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -26.380 -21.593 13.525 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -26.418 -21.193 14.393 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -26.871 -22.410 13.615 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -23.070 -22.636 4.139 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -22.138 -22.507 4.317 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -23.285 -21.966 3.490 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -13.859 -9.358 17.197 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -13.659 -8.934 16.362 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -13.203 -9.015 17.804 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -25.229 -25.341 5.961 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -25.546 -26.243 5.926 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -24.448 -25.339 5.409 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -17.163 -24.062 1.841 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -18.101 -23.950 1.690 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -16.866 -23.205 2.147 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -19.541 -16.692 14.879 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -19.887 -17.073 15.685 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -19.741 -15.758 14.950 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -16.445 -22.195 3.502 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -15.553 -22.332 3.821 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -16.388 -21.404 2.965 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -18.935 -15.417 2.667 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -19.230 -14.591 3.049 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -19.638 -16.037 2.863 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -21.911 -19.603 16.939 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -22.207 -19.769 16.044 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -20.980 -19.823 16.929 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -17.291 -14.230 14.829 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -18.192 -14.047 14.561 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -17.257 -13.971 15.750 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -13.264 -13.199 3.661 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -13.637 -14.025 3.971 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -12.987 -13.382 2.764 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -22.134 -16.400 6.392 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -22.375 -15.475 6.434 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -22.874 -16.859 6.788 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -18.075 -16.152 12.408 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -18.501 -16.379 13.234 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -17.494 -16.890 12.225 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -15.872 -15.223 1.482 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -15.519 -15.603 2.286 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -16.821 -15.316 1.568 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -15.416 -11.600 14.877 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -16.018 -12.155 14.382 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -15.135 -10.933 14.251 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -11.368 -10.743 1.683 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -10.625 -10.157 1.543 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -12.063 -10.175 2.016 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -15.006 -16.550 3.708 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -15.283 -17.278 4.264 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -14.079 -16.431 3.914 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -21.781 -14.111 -0.071 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -21.542 -14.859 -0.619 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -22.050 -14.499 0.761 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -17.775 -24.974 4.271 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -17.555 -24.502 3.468 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -17.217 -24.579 4.942 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -20.575 -23.246 5.106 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -19.763 -22.742 5.152 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -20.820 -23.391 6.020 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -20.039 -22.260 14.291 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -19.920 -21.686 15.048 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -19.384 -22.948 14.406 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -19.691 -26.165 6.044 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -20.038 -25.547 6.689 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -19.033 -25.664 5.563 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -14.146 -11.346 10.844 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -14.302 -10.668 10.187 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -13.214 -11.274 11.047 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -26.651 -27.228 9.581 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -26.880 -27.169 8.654 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -27.094 -28.020 9.888 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -19.743 -12.248 0.067 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -20.387 -12.879 0.389 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -18.981 -12.779 -0.165 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -17.258 -13.376 17.421 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -17.609 -14.232 17.664 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -16.532 -13.233 18.028 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -18.832 -15.474 -0.106 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -19.100 -15.294 0.795 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -19.038 -16.400 -0.237 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -16.135 -16.979 14.842 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -15.390 -16.391 14.722 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -16.892 -16.397 14.905 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -23.746 -20.656 14.820 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -24.364 -19.981 15.101 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -23.402 -20.335 13.987 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -18.726 -18.185 18.098 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -17.773 -18.101 18.070 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -18.886 -18.896 18.717 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -23.406 -23.301 15.903 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -23.256 -24.030 15.300 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -23.404 -22.524 15.344 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -22.994 -24.931 13.395 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -22.458 -24.480 12.743 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -23.846 -25.039 12.973 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -21.412 -19.492 13.635 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -20.661 -19.648 13.062 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -21.751 -18.640 13.359 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -24.928 -22.103 17.814 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -25.695 -22.635 17.604 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -24.249 -22.413 17.215 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -22.188 -27.475 13.827 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -22.286 -26.528 13.721 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -22.931 -27.847 13.351 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -21.966 -28.181 16.498 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -21.254 -28.821 16.484 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -22.067 -27.914 15.584 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -21.613 -26.498 18.552 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -21.744 -26.974 17.731 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -22.212 -25.754 18.496 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -11.867 -11.129 13.995 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -12.354 -11.864 13.624 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -11.318 -11.522 14.673 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -13.475 -13.366 13.226 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -14.123 -13.041 13.851 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -13.993 -13.806 12.551 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -13.104 -21.888 0.913 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -13.007 -21.221 0.233 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -13.244 -22.704 0.431 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -13.856 -24.480 0.030 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -13.246 -24.852 0.667 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -14.693 -24.902 0.226 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -14.692 -10.606 6.645 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -14.039 -10.953 6.037 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -14.181 -10.117 7.291 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -14.841 -9.510 12.940 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -15.023 -8.594 12.729 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -14.665 -9.920 12.093 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -22.443 -27.418 6.688 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -21.569 -27.030 6.658 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -22.579 -27.633 7.611 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -15.533 -27.362 4.030 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -16.236 -26.748 3.820 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -15.978 -28.200 4.161 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -21.299 -25.338 3.578 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -21.121 -25.984 4.261 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -21.353 -24.504 4.045 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -19.421 -10.389 1.973 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -18.555 -10.023 1.795 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -19.668 -10.829 1.160 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -12.712 -10.826 4.653 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -12.906 -11.574 4.088 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -12.751 -10.068 4.069 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -25.092 -27.480 17.928 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -24.193 -27.754 17.743 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -25.478 -28.223 18.392 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -13.494 -12.075 16.803 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -14.276 -12.261 16.283 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -13.566 -11.146 17.020 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.944 -18.189 25.689 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -17.855 -17.245 25.557 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.583 -18.464 25.031 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -19.011 -18.934 29.108 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -19.049 -19.580 29.813 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -19.334 -19.400 28.337 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.481 -22.107 29.842 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.338 -23.054 29.862 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -17.587 -21.900 28.913 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -18.147 -15.588 24.732 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -18.443 -15.910 23.881 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -18.471 -14.688 24.774 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -14.793 -14.155 29.758 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -15.735 -14.097 29.919 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -14.517 -13.249 29.621 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -21.490 -27.782 28.641 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -21.607 -28.731 28.587 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -22.345 -27.450 28.914 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -16.541 -12.374 26.383 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -16.116 -13.081 25.898 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -16.224 -11.573 25.966 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -13.696 -15.907 33.369 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -13.556 -16.498 32.630 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -13.528 -15.034 33.013 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -19.223 -18.945 23.141 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -19.935 -18.410 22.790 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -18.532 -18.889 22.481 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -19.169 -20.487 20.180 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -18.468 -20.465 20.831 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -18.867 -21.115 19.524 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -15.920 -20.561 33.161 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.840 -19.798 33.733 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -16.521 -20.282 32.470 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -17.496 -13.833 30.343 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -17.737 -13.171 30.991 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -17.694 -14.667 30.768 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -19.220 -12.836 25.213 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -18.746 -12.541 25.991 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -19.783 -12.098 24.980 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -11.141 -13.226 34.946 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -11.190 -14.181 34.909 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -11.967 -12.958 35.348 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -16.646 -10.726 20.631 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -16.271 -11.470 20.160 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -16.642 -10.996 21.549 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -16.977 -10.800 23.380 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.912 -10.700 23.559 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -16.697 -11.509 23.958 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -19.558 -27.157 32.793 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -19.138 -27.572 33.546 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -20.491 -27.335 32.910 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -18.597 -21.276 24.243 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -19.006 -20.461 23.951 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -17.877 -21.416 23.628 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -17.593 -21.830 27.057 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -17.788 -21.225 26.342 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -17.411 -22.664 26.622 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -23.014 -24.219 19.179 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -23.445 -24.664 19.909 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -23.732 -23.847 18.667 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -18.329 -20.192 31.728 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -18.005 -20.823 31.085 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -18.769 -20.727 32.389 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -21.551 -24.265 26.512 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -22.462 -24.208 26.801 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -21.046 -24.325 27.323 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -23.070 -22.636 22.995 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -22.138 -22.507 23.173 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -23.285 -21.966 22.346 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -20.231 -21.477 28.399 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -19.667 -22.024 27.852 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -20.379 -21.999 29.188 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -21.605 -23.089 30.813 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -22.440 -22.635 30.923 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -21.081 -22.813 31.565 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -21.061 -16.876 22.498 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -21.805 -17.383 22.175 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -21.195 -16.827 23.444 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -13.911 -17.743 31.284 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -13.269 -17.286 30.741 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -14.741 -17.630 30.822 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -18.935 -15.417 21.523 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -19.230 -14.591 21.905 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -19.638 -16.037 21.719 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -16.104 -18.391 29.539 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -17.032 -18.623 29.512 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -15.653 -19.168 29.209 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -18.075 -16.152 31.264 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -18.501 -16.379 32.090 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -17.494 -16.890 31.081 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -15.872 -15.223 20.338 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -15.519 -15.603 21.142 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -16.821 -15.316 20.424 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -11.368 -10.743 20.539 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -10.625 -10.157 20.399 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.063 -10.175 20.872 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -18.559 -24.626 32.030 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -17.861 -24.552 32.680 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -18.940 -25.490 32.185 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -17.775 -24.974 23.127 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -17.555 -24.502 22.324 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -17.217 -24.579 23.798 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -20.575 -23.246 23.962 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -19.763 -22.742 24.008 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -20.820 -23.391 24.876 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -20.039 -22.260 33.147 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -19.920 -21.686 33.904 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -19.384 -22.948 33.262 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -19.691 -26.165 24.900 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -20.038 -25.547 25.545 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -19.033 -25.664 24.419 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -24.034 -25.102 21.588 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -24.117 -24.213 21.934 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -23.144 -25.367 21.819 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -14.146 -11.346 29.700 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -14.302 -10.668 29.043 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -13.214 -11.274 29.903 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -15.139 -12.431 19.157 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -14.856 -13.225 19.610 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -14.399 -12.198 18.596 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -18.832 -15.474 18.750 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -19.100 -15.294 19.651 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -19.038 -16.400 18.619 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -16.135 -16.979 33.698 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -15.390 -16.391 33.578 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -16.892 -16.397 33.761 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -21.964 -20.306 19.583 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -22.144 -20.460 18.655 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -21.013 -20.198 19.627 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -18.726 -18.185 36.954 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -17.773 -18.101 36.926 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -18.886 -18.896 37.573 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -16.996 -21.677 37.519 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -16.804 -22.608 37.408 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -16.139 -21.252 37.509 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -15.680 -18.888 35.597 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -15.961 -18.179 35.019 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -14.737 -18.961 35.446 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -22.188 -27.475 32.683 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -22.286 -26.528 32.577 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -22.931 -27.847 32.207 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -18.208 -24.026 35.322 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -19.156 -23.994 35.454 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -17.896 -24.651 35.976 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -16.574 -25.392 37.327 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -16.671 -26.344 37.321 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -16.896 -25.123 38.188 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -11.430 -10.696 29.929 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -11.452 -10.511 30.868 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -10.740 -10.127 29.588 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -11.867 -11.129 32.851 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -12.354 -11.864 32.480 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -11.318 -11.522 33.529 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -13.416 -15.339 37.489 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -14.282 -15.444 37.883 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -13.040 -14.580 37.936 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -13.475 -13.366 32.082 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.123 -13.041 32.707 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.993 -13.806 31.407 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -11.300 -27.627 37.418 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -10.950 -28.281 36.812 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -11.153 -26.790 36.978 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -14.692 -10.606 25.501 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -14.039 -10.953 24.893 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -14.181 -10.117 26.147 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -22.443 -27.418 25.544 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -21.569 -27.030 25.514 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -22.579 -27.633 26.467 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -21.299 -25.338 22.434 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -21.121 -25.984 23.117 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -21.353 -24.504 22.901 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -12.712 -10.826 23.509 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -12.906 -11.574 22.944 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -12.751 -10.068 22.925 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -16.670 -28.148 36.966 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -16.594 -28.574 37.820 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -15.777 -28.134 36.624 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -13.494 -12.075 35.659 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -14.276 -12.261 35.139 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -13.566 -11.146 35.876 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -15.817 -18.735 42.949 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -16.549 -18.507 43.522 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -15.370 -19.449 43.404 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -16.946 -19.573 40.634 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -16.367 -19.423 41.381 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -16.532 -19.102 39.911 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -13.248 -27.823 40.447 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -14.147 -27.684 40.742 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -12.996 -26.992 40.045 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -12.058 -13.457 38.824 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -11.985 -12.518 38.994 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -11.153 -13.762 38.767 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -15.469 -18.540 38.264 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.427 -18.763 37.334 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -14.620 -18.142 38.454 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -17.163 -24.062 39.553 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -18.101 -23.950 39.402 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -16.866 -23.205 39.859 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -16.445 -22.195 41.214 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -15.553 -22.332 41.533 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -16.388 -21.404 40.677 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -11.560 -21.985 40.908 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -12.114 -22.381 40.236 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -11.459 -21.075 40.631 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -15.872 -15.223 39.194 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -15.519 -15.603 39.998 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -16.821 -15.316 39.280 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -15.006 -16.550 41.420 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -15.283 -17.278 41.976 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -14.079 -16.431 41.626 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -12.115 -17.082 41.859 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -11.265 -16.661 41.987 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -12.110 -17.822 42.467 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -11.721 -19.029 43.683 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -12.447 -19.508 44.081 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -11.140 -18.823 44.415 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -13.934 -20.508 44.246 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -14.084 -21.453 44.226 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -14.288 -20.227 45.090 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -14.224 -22.925 42.708 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -13.944 -23.832 42.833 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -13.465 -22.491 42.319 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -13.610 -25.662 42.757 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -13.428 -26.111 43.582 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.210 -26.247 42.293 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -11.744 -25.595 39.285 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -11.331 -26.316 38.809 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -11.062 -24.925 39.343 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -17.944 0.667 -12.023 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -17.855 1.611 -12.155 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -18.583 0.392 -12.681 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -19.011 -0.078 -8.604 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -19.049 -0.724 -7.899 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -19.334 -0.544 -9.375 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -15.305 2.861 -10.302 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -15.746 2.141 -9.852 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -15.318 3.582 -9.672 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -18.194 7.966 -10.090 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -17.574 7.289 -10.363 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -18.402 7.748 -9.182 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -20.622 2.355 -8.198 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -20.318 1.669 -8.792 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -19.900 2.473 -7.580 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -16.604 -5.019 -12.197 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -15.958 -5.348 -11.572 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -16.094 -4.501 -12.820 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -22.947 1.444 -6.236 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -23.687 2.042 -6.133 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -22.233 1.998 -6.552 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -14.793 4.701 -7.954 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -15.735 4.759 -7.793 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -14.517 5.607 -8.091 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -21.490 -8.926 -9.071 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -21.607 -9.875 -9.125 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -22.345 -8.594 -8.798 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -15.817 0.121 -13.619 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -16.549 0.349 -13.046 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -15.370 -0.593 -13.164 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -17.496 5.023 -7.369 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -17.737 5.685 -6.721 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -17.694 4.189 -6.944 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -22.925 3.919 -3.386 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -23.237 4.701 -2.930 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -23.575 3.766 -4.072 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 -20.162 5.204 -3.890 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 -20.075 6.030 -3.415 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 -21.026 4.874 -3.641 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -19.558 -8.301 -4.919 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -19.138 -8.716 -4.166 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -20.491 -8.479 -4.802 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -18.597 -2.420 -13.469 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -19.006 -1.605 -13.761 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -17.877 -2.560 -14.084 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -17.593 -2.974 -10.655 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -17.788 -2.369 -11.370 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -17.411 -3.808 -11.090 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -21.551 -5.409 -11.200 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -22.462 -5.352 -10.911 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -21.046 -5.469 -10.389 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 -20.231 -2.621 -9.313 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 -19.667 -3.168 -9.860 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 -20.379 -3.143 -8.524 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -21.605 -4.233 -6.899 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -22.440 -3.779 -6.789 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -21.081 -3.957 -6.147 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -19.541 2.164 -3.977 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -19.887 1.783 -3.171 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -19.741 3.098 -3.906 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -16.445 -3.339 -15.354 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -15.553 -3.476 -15.035 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -16.388 -2.548 -15.891 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -21.911 -0.747 -1.917 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -22.207 -0.913 -2.812 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -20.980 -0.967 -1.927 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -16.104 0.465 -8.173 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -17.032 0.233 -8.200 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -15.653 -0.312 -8.503 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -21.619 6.605 -6.149 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -21.256 7.460 -6.382 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -21.087 6.313 -5.408 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -18.075 2.704 -6.448 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -18.501 2.477 -5.622 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -17.494 1.966 -6.631 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -17.775 -6.118 -14.585 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -17.555 -5.646 -15.388 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -17.217 -5.723 -13.914 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -19.691 -7.309 -12.812 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -20.038 -6.691 -12.167 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -19.033 -6.808 -13.293 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 -14.146 7.510 -8.012 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 -14.302 8.188 -8.669 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 -13.214 7.582 -7.809 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 -21.870 1.961 -1.397 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 -22.198 2.232 -2.255 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 -21.718 1.020 -1.485 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 -23.746 -1.800 -4.036 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 -24.364 -1.125 -3.755 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 -23.402 -1.479 -4.869 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -23.406 -4.445 -2.953 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -23.256 -5.174 -3.556 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -23.404 -3.668 -3.512 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -22.994 -6.075 -5.461 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -22.458 -5.624 -6.113 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -23.846 -6.183 -5.883 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -21.412 -0.636 -5.221 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -20.661 -0.792 -5.794 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -21.751 0.216 -5.497 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -24.928 -3.247 -1.042 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -25.695 -3.779 -1.252 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -24.249 -3.557 -1.641 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -22.188 -8.619 -5.029 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -22.286 -7.672 -5.135 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -22.931 -8.991 -5.505 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -21.966 -9.325 -2.358 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -21.254 -9.965 -2.372 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -22.067 -9.058 -3.272 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 -21.613 -7.642 -0.304 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 -21.744 -8.118 -1.125 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 -22.212 -6.898 -0.360 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 -11.430 8.160 -7.783 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 -11.452 8.345 -6.844 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 -10.740 8.729 -8.124 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 -11.721 -0.173 -12.885 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -12.447 -0.652 -12.487 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 -11.140 0.033 -12.153 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -11.962 2.612 -7.937 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -11.128 2.234 -8.218 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -11.850 3.555 -8.056 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -13.934 -1.652 -12.322 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -14.084 -2.597 -12.342 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -14.288 -1.371 -11.478 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -14.224 -4.069 -13.860 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -13.944 -4.976 -13.735 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -13.465 -3.635 -14.249 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -13.610 -6.806 -13.811 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -13.428 -7.255 -12.986 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -14.210 -7.391 -14.275 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -20.042 7.553 -2.450 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -19.857 7.219 -1.572 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -19.195 7.862 -2.772 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -19.773 8.898 -7.156 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -20.230 9.427 -7.810 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -19.610 9.501 -6.431 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 -17.446 7.776 -6.211 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 -18.350 7.941 -6.477 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 -17.017 8.629 -6.277 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -19.349 -7.123 -9.803 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -20.024 -7.752 -9.548 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -18.785 -7.607 -10.406 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -14.207 -9.016 -9.691 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -13.603 -8.468 -10.192 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -15.076 -8.696 -9.931 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -12.480 -7.877 -11.357 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -11.868 -8.391 -11.884 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -12.097 -6.999 -11.334 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 -16.886 -8.532 -10.519 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 -16.810 -8.437 -11.468 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 -17.162 -9.440 -10.390 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 -17.944 0.667 6.833 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 -17.855 1.611 6.701 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 -18.583 0.392 6.175 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 -11.959 -6.044 11.519 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 -11.910 -5.434 12.255 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 -11.533 -5.583 10.796 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -16.604 -5.019 6.659 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -15.958 -5.348 7.284 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -16.094 -4.501 6.036 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -11.567 -4.566 13.755 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -12.256 -3.908 13.660 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -11.552 -4.763 14.692 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -18.147 3.268 5.876 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -18.443 2.946 5.025 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -18.471 4.168 5.918 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -14.493 -7.013 12.319 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -15.229 -6.402 12.281 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -13.809 -6.598 11.793 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 -15.382 4.383 6.036 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 -15.639 3.693 5.424 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 -15.311 3.940 6.881 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -19.223 -0.089 4.285 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -19.935 0.446 3.934 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -18.532 -0.033 3.625 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 -15.817 0.121 5.237 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 -16.549 0.349 5.810 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 -15.370 -0.593 5.692 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -13.248 -8.967 2.735 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -14.147 -8.828 3.030 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -12.996 -8.136 2.333 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -12.058 5.399 1.112 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -11.985 6.338 1.282 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -11.153 5.094 1.055 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -16.646 8.130 1.775 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -16.271 7.386 1.304 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -16.642 7.860 2.693 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -16.977 8.056 4.524 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -17.912 8.156 4.703 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -16.697 7.347 5.102 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -19.896 -5.808 1.222 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -20.150 -5.789 2.145 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -20.153 -6.680 0.921 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 -18.597 -2.420 5.387 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 -19.006 -1.605 5.095 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 -17.877 -2.560 4.772 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -17.593 -2.974 8.201 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -17.788 -2.369 7.486 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -17.411 -3.808 7.766 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -23.014 -5.363 0.323 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -23.445 -5.808 1.053 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -23.732 -4.991 -0.189 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 -23.070 -3.780 4.139 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 -22.138 -3.651 4.317 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 -23.285 -3.110 3.490 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -24.396 -2.585 1.706 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -24.938 -2.965 1.015 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -23.562 -2.391 1.277 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -21.061 1.980 3.642 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -21.805 1.473 3.319 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -21.195 2.029 4.588 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -16.445 -3.339 3.502 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -15.553 -3.476 3.821 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -16.388 -2.548 2.965 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -18.935 3.439 2.667 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -19.230 4.265 3.049 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -19.638 2.819 2.863 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 -13.264 5.657 3.661 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 -13.637 4.831 3.971 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 -12.987 5.474 2.764 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -11.368 8.113 1.683 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -10.625 8.699 1.543 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -12.063 8.681 2.016 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -15.006 2.306 3.708 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -15.283 1.578 4.264 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -14.079 2.425 3.914 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 -21.781 4.745 -0.071 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 -21.542 3.997 -0.619 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 -22.050 4.357 0.761 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 -22.844 4.315 2.385 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 -22.697 3.795 3.175 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 -22.847 5.222 2.691 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 -17.775 -6.118 4.271 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 -17.555 -5.646 3.468 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 -17.217 -5.723 4.942 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 -20.106 6.013 3.134 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 -20.923 6.510 3.187 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 -19.577 6.488 2.494 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 -20.575 -4.390 5.106 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 -19.763 -3.886 5.152 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 -20.820 -4.535 6.020 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -24.034 -6.246 2.732 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -24.117 -5.357 3.078 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -23.144 -6.511 2.963 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -13.835 -5.497 15.126 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -14.751 -5.234 15.038 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -13.499 -5.500 14.229 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -19.743 6.608 0.067 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -20.387 5.977 0.389 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -18.981 6.077 -0.165 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -24.184 2.335 0.158 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -24.120 1.541 0.689 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -23.531 2.216 -0.531 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -23.035 0.307 2.464 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -23.494 -0.177 3.150 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -22.780 -0.361 1.828 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -12.115 1.774 4.147 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -11.265 2.195 4.275 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -12.110 1.034 4.755 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 -11.721 -0.173 5.971 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 -12.447 -0.652 6.369 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 -11.140 0.033 6.703 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -13.934 -1.652 6.534 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -14.084 -2.597 6.514 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -14.288 -1.371 7.378 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -14.224 -4.069 4.996 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -13.944 -4.976 5.121 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -13.465 -3.635 4.607 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -11.300 -8.771 18.562 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -10.950 -9.425 17.956 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -11.153 -7.934 18.122 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 -13.610 -6.806 5.045 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 -13.428 -7.255 5.870 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 -14.210 -7.391 4.581 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -11.780 -6.662 16.911 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -12.697 -6.391 16.875 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -11.657 -7.197 16.127 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -11.744 -6.739 1.573 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -11.331 -7.460 1.097 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -11.062 -6.069 1.631 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -12.779 -8.572 14.730 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -13.592 -8.247 14.342 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -12.546 -9.332 14.197 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -14.207 -9.016 9.165 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -13.603 -8.468 8.664 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -15.076 -8.696 8.925 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -12.480 -7.877 7.499 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -11.868 -8.391 6.972 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -12.097 -6.999 7.522 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -15.533 -8.506 4.030 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -16.236 -7.892 3.820 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -15.978 -9.344 4.161 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 -21.299 -6.482 3.578 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 -21.121 -7.128 4.261 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 -21.353 -5.648 4.045 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 -19.421 8.467 1.973 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 -18.555 8.833 1.795 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 -19.668 8.027 1.160 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -12.712 8.030 4.653 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -12.906 7.282 4.088 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -12.751 8.788 4.069 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -13.248 -8.967 21.591 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -14.147 -8.828 21.886 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -12.996 -8.136 21.189 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 -11.744 -6.739 20.429 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 -11.331 -7.460 19.953 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 -11.062 -6.069 20.487 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -11.959 12.812 -7.337 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -11.910 13.422 -6.601 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -11.533 13.273 -8.060 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -11.567 14.290 -5.101 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -12.256 14.948 -5.196 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -11.552 14.093 -4.164 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -14.493 11.843 -6.537 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -15.229 12.454 -6.575 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -13.809 12.258 -7.063 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -13.989 15.979 -2.286 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -14.396 16.460 -3.006 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -13.948 15.074 -2.593 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -19.558 10.555 -4.919 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -19.138 10.140 -4.166 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -20.491 10.377 -4.802 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 -16.232 14.311 -4.065 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 -16.746 14.185 -3.268 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 -16.387 15.223 -4.310 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -17.146 12.682 -7.936 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -17.823 12.813 -7.272 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -17.632 12.527 -8.746 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -18.559 13.086 -5.682 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -17.861 13.160 -5.032 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -18.940 12.222 -5.527 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 -16.996 16.035 -0.193 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 -16.804 15.104 -0.304 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 -16.139 16.460 -0.203 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -18.208 13.686 -2.390 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -19.156 13.718 -2.258 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -17.896 13.061 -1.736 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 -16.574 12.320 -0.385 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 -16.671 11.368 -0.391 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 -16.896 12.589 0.476 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -21.966 9.531 -2.358 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -21.254 8.891 -2.372 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -22.067 9.798 -3.272 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -13.612 15.368 -8.424 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -12.679 15.580 -8.458 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -13.847 15.470 -7.501 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 -13.583 16.105 -5.648 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 -14.426 16.373 -5.282 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 -13.140 16.927 -5.859 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -14.207 9.840 -9.691 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -13.603 10.388 -10.192 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -15.076 10.160 -9.931 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 -13.248 9.889 2.735 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 -14.147 10.028 3.030 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 -12.996 10.720 2.333 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -17.163 13.650 1.841 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -18.101 13.762 1.690 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -16.866 14.507 2.147 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 -13.104 15.824 0.913 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -13.007 16.491 0.233 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 -13.244 15.008 0.431 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 -13.856 13.232 0.030 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 -13.246 12.860 0.667 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 -14.693 12.810 0.226 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 -11.744 12.117 1.573 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 -11.331 11.396 1.097 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 -11.062 12.787 1.631 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -15.533 10.350 4.030 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -16.236 10.964 3.820 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -15.978 9.512 4.161 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 4.997 -28.214 -1.659 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 5.197 -27.790 -2.494 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 5.653 -27.871 -1.052 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -9.576 -29.531 -1.784 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -9.036 -29.748 -1.025 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -10.057 -30.337 -1.974 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 -4.979 -30.612 -0.164 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 -4.211 -31.071 0.177 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 -5.000 -30.838 -1.094 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 -9.669 -35.721 -0.830 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 -9.525 -36.623 -1.116 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 -10.442 -35.435 -1.318 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 -8.095 -28.302 -5.362 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 -8.815 -27.862 -5.813 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 -8.461 -28.553 -4.513 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -5.628 -28.702 -6.332 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -6.493 -28.630 -5.928 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -5.683 -28.155 -7.116 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 0.912 -37.045 6.833 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 1.001 -36.101 6.701 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 0.273 -37.320 6.175 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -0.155 -37.790 10.252 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -0.193 -38.436 10.957 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -0.478 -38.256 9.481 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -7.787 -38.175 11.845 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -7.745 -38.801 12.569 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -7.084 -37.552 12.027 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 3.551 -34.851 8.554 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 3.110 -35.571 9.004 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 3.538 -34.130 9.184 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -10.253 -40.065 5.773 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -10.701 -39.219 5.755 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -10.814 -40.645 5.258 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -1.766 -35.357 10.658 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -1.462 -36.043 10.064 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -1.044 -35.239 11.276 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 -8.850 -40.465 9.020 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 -8.196 -41.015 9.452 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 -8.826 -40.739 8.104 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 0.709 -34.444 5.876 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 0.413 -34.766 5.025 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 0.385 -33.544 5.918 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 -4.091 -36.268 12.620 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 -4.831 -35.670 12.723 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 -3.377 -35.714 12.304 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 -5.683 -34.304 13.407 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 -5.689 -33.425 13.029 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 -6.537 -34.387 13.832 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 5.160 -34.763 14.513 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 5.300 -35.354 13.774 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 5.328 -33.890 14.157 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 -5.316 -36.961 7.120 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 -5.646 -37.331 6.301 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 -4.728 -37.631 7.466 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -4.949 -38.192 10.753 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -4.384 -38.071 9.990 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -4.630 -37.555 11.392 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -7.149 -37.595 14.699 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -7.079 -36.944 15.397 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -8.040 -37.492 14.364 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -6.326 -37.891 4.709 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 -6.618 -37.123 4.218 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 -7.000 -38.551 4.546 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 6.798 -32.313 1.112 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 6.871 -31.374 1.282 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 7.703 -32.618 1.055 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 -10.233 -35.528 13.524 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 -10.734 -35.556 12.709 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 -10.227 -36.434 13.834 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 -10.482 -32.748 10.408 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 -9.536 -32.892 10.389 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 -10.595 -31.964 10.945 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 2.210 -29.582 1.775 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 2.585 -30.326 1.304 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 2.214 -29.852 2.693 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -7.984 -34.205 14.567 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -7.767 -34.566 15.427 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -8.839 -34.579 14.357 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -0.639 -39.957 16.875 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -1.202 -40.661 17.195 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 0.187 -40.077 17.342 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -10.916 -43.333 7.375 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -10.285 -43.362 8.095 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -10.466 -43.758 6.645 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -9.641 -42.587 2.799 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -9.167 -41.996 2.214 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -10.359 -42.056 3.146 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 0.527 -39.048 12.872 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 0.851 -39.679 12.229 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 0.087 -39.583 13.533 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -7.867 -41.492 6.483 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -8.756 -41.392 6.143 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -7.571 -42.334 6.137 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -7.405 -35.740 16.805 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -6.672 -35.486 17.366 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -8.185 -35.536 17.320 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -2.205 -35.732 3.642 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -2.949 -36.239 3.319 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -2.339 -35.683 4.588 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 4.945 -36.599 12.428 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 5.587 -36.142 11.885 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 4.115 -36.486 11.966 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -7.080 -36.437 9.411 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -6.335 -36.439 8.810 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.002 -37.261 9.893 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -0.079 -34.273 2.667 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -0.374 -33.447 3.049 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -0.782 -34.893 2.863 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 -3.055 -38.459 16.939 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 -3.351 -38.625 16.044 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -2.124 -38.679 16.929 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 7.260 -35.041 16.033 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 6.408 -34.803 15.666 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 7.850 -35.058 15.280 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 5.592 -32.055 3.661 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 5.219 -32.881 3.971 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 5.869 -32.238 2.764 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 2.752 -37.247 10.683 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 1.824 -37.479 10.656 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 3.203 -38.024 10.353 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.950 -38.057 1.403 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -8.334 -37.430 1.782 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -9.812 -37.741 1.674 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 -3.278 -35.256 6.392 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 -3.519 -34.331 6.434 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 -4.018 -35.715 6.788 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.781 -35.008 12.408 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 0.355 -35.235 13.234 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 1.362 -35.746 12.225 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 2.984 -34.079 1.482 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 3.337 -34.459 2.286 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 2.035 -34.172 1.568 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 7.488 -29.599 1.683 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 8.231 -29.013 1.543 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 6.793 -29.031 2.016 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 3.850 -35.406 3.708 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 3.573 -36.134 4.264 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 4.777 -35.287 3.914 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -8.787 -31.418 12.719 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -8.570 -32.350 12.688 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -8.540 -31.144 13.603 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -3.988 -33.397 2.385 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -3.841 -33.917 3.175 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -3.991 -32.490 2.691 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -7.535 -36.144 2.895 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -8.221 -35.792 3.462 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -7.012 -35.381 2.649 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -1.250 -31.699 3.134 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -2.067 -31.202 3.187 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -0.721 -31.224 2.494 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -3.912 -30.656 3.116 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -3.751 -29.856 2.615 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -4.109 -30.349 4.001 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -6.919 -33.530 1.792 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -6.327 -32.831 2.068 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -6.460 -33.963 1.073 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 -8.603 -40.866 0.908 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -8.648 -39.927 1.087 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 -9.491 -41.102 0.638 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 -0.887 -31.104 0.067 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 -1.531 -31.735 0.389 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 -0.125 -31.635 -0.165 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 3.717 -31.287 0.301 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 4.000 -32.081 0.754 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 4.457 -31.054 -0.260 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -9.669 -35.721 18.026 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -9.525 -36.623 17.740 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -10.442 -35.435 17.538 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -3.014 -35.751 17.459 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -3.342 -35.480 16.601 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -2.862 -36.692 17.371 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 2.721 -35.835 14.842 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 3.466 -35.247 14.722 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 1.964 -35.253 14.905 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 -8.837 -38.521 17.446 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 -8.429 -39.378 17.325 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 -9.097 -38.506 18.367 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -4.890 -39.512 14.820 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -5.508 -38.837 15.101 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -4.546 -39.191 13.987 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 0.130 -37.041 18.098 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 1.083 -36.957 18.070 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 -0.030 -37.752 18.717 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -2.556 -38.348 13.635 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -1.805 -38.504 13.062 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -2.895 -37.496 13.359 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 3.176 -37.744 16.741 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 2.895 -37.035 16.163 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 4.119 -37.817 16.590 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 -3.210 -28.471 1.728 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 -2.277 -28.313 1.872 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 -3.474 -27.796 1.103 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -9.642 -33.835 1.211 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -8.728 -33.756 1.484 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -9.635 -34.522 0.544 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 5.440 -34.195 18.633 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 4.574 -34.300 19.027 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 5.816 -33.436 19.080 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 6.894 -35.100 10.919 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 7.728 -35.478 10.638 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 7.006 -34.157 10.800 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 -10.043 -37.286 10.544 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 -9.859 -37.368 9.609 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 -9.194 -37.410 10.968 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -10.920 -40.704 10.645 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -10.428 -40.925 9.855 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -10.558 -39.863 10.926 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -0.565 -29.245 1.973 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 0.301 -28.879 1.795 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -0.812 -29.685 1.160 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 6.144 -29.682 4.653 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 5.950 -30.430 4.088 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 6.105 -28.924 4.069 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -7.611 -29.535 0.601 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -7.879 -29.248 1.474 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -6.840 -30.081 0.753 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 0.912 -37.045 25.689 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 1.001 -36.101 25.557 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 0.273 -37.320 25.031 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 3.551 -34.851 27.410 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 3.110 -35.571 27.860 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 3.538 -34.130 28.040 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 -1.766 -35.357 29.514 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 -1.462 -36.043 28.920 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 -1.044 -35.239 30.132 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 0.709 -34.444 24.732 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 0.413 -34.766 23.881 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 0.385 -33.544 24.774 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -4.091 -36.268 31.476 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -4.831 -35.670 31.579 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -3.377 -35.714 31.160 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -5.683 -34.304 32.263 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -5.689 -33.425 31.885 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -6.537 -34.387 32.688 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -9.562 -34.633 23.045 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -9.834 -34.404 22.156 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -9.517 -33.795 23.505 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 4.063 -33.011 29.758 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 3.121 -32.953 29.919 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 4.339 -32.105 29.621 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 3.474 -33.329 24.892 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 3.217 -34.019 24.280 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 3.545 -33.772 25.737 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 5.160 -34.763 33.369 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 5.300 -35.354 32.630 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 5.328 -33.890 33.013 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -0.367 -37.801 23.141 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -1.079 -37.266 22.790 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 0.324 -37.745 22.481 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 7.002 -38.423 31.435 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 6.350 -37.728 31.524 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 7.467 -38.213 30.625 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 3.039 -37.591 24.093 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 2.307 -37.363 24.666 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 3.486 -38.305 24.548 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 -5.316 -36.961 25.976 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 -5.646 -37.331 25.157 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 -4.728 -37.631 26.322 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 -4.949 -38.192 29.609 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 -4.384 -38.071 28.846 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 -4.630 -37.555 30.248 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 1.360 -32.689 30.343 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 1.119 -32.027 30.991 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 1.162 -33.523 30.768 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 -4.069 -33.793 34.326 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 -4.381 -33.011 34.782 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 -4.719 -33.946 33.640 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 1.910 -38.429 21.778 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 2.489 -38.279 22.525 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 2.324 -37.958 21.055 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 -5.830 -31.721 35.090 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 -5.822 -31.857 34.142 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 -6.746 -31.839 35.342 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -6.326 -37.891 23.565 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -6.618 -37.123 23.074 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -7.000 -38.551 23.402 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 -10.233 -35.528 32.380 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 -10.734 -35.556 31.565 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 -10.227 -36.434 32.690 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 7.715 -32.082 34.946 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 7.666 -33.037 34.909 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 6.889 -31.814 35.348 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 -1.306 -32.508 33.822 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 -1.219 -31.682 34.297 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 -2.170 -32.838 34.071 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 -7.984 -34.205 33.423 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 -7.767 -34.566 34.283 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 -8.839 -34.579 33.213 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 3.387 -37.396 19.408 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 3.429 -37.619 18.478 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 4.236 -36.998 19.598 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 4.997 -28.214 36.053 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 5.197 -27.790 35.218 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 5.653 -27.871 36.660 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -7.405 -35.740 35.661 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -6.672 -35.486 36.222 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -8.185 -35.536 36.176 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 4.945 -36.599 31.284 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 5.587 -36.142 30.741 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 4.115 -36.486 30.822 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -7.080 -36.437 28.267 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -6.335 -36.439 27.666 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -7.002 -37.261 28.749 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 1.565 -33.086 33.685 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 0.664 -32.903 33.417 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 1.599 -32.827 34.606 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 7.260 -35.041 34.889 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 6.408 -34.803 34.522 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 7.850 -35.058 34.136 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 -8.950 -38.057 20.259 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 -8.334 -37.430 20.638 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 -9.812 -37.741 20.530 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 0.781 -35.008 31.264 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 0.355 -35.235 32.090 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 1.362 -35.746 31.081 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 2.984 -34.079 20.338 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 3.337 -34.459 21.142 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 2.035 -34.172 20.424 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 3.440 -30.456 33.733 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 2.838 -31.011 33.238 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 3.721 -29.789 33.107 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 3.850 -35.406 22.564 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 3.573 -36.134 23.120 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 4.777 -35.287 22.770 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 -7.535 -36.144 21.751 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -8.221 -35.792 22.318 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 -7.012 -35.381 21.505 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -8.865 -32.144 24.598 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -9.697 -31.671 24.625 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -8.319 -31.634 23.999 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -9.576 -29.531 35.928 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -9.036 -29.748 36.687 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -10.057 -30.337 35.738 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 -4.979 -30.612 37.548 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 -4.211 -31.071 37.889 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 -5.000 -30.838 36.618 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -5.328 -35.377 19.014 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -5.264 -36.171 19.545 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -4.675 -35.496 18.325 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -4.179 -37.405 21.320 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -4.638 -37.889 22.006 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -3.924 -38.073 20.684 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 -3.108 -39.162 19.583 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 -3.288 -39.316 18.655 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 -2.157 -39.054 19.627 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 6.282 -36.807 19.028 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 6.009 -37.232 18.215 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 6.322 -35.876 18.811 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 -9.642 -33.835 20.067 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 -8.728 -33.756 20.340 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 -9.635 -34.522 19.400 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 6.741 -35.938 23.003 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 7.591 -35.517 23.131 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 6.746 -36.678 23.611 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 6.894 -35.100 29.775 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 7.728 -35.478 29.494 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 7.006 -34.157 29.656 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 -10.043 -37.286 29.400 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 -9.859 -37.368 28.465 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 -9.194 -37.410 29.824 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 -8.451 -32.533 36.044 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 -9.272 -32.358 35.584 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 -8.703 -32.606 36.965 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -1.186 -30.159 35.262 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -1.001 -30.493 36.140 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -0.339 -29.850 34.940 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 1.159 -28.874 34.506 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 1.836 -29.506 34.266 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 1.481 -28.472 35.314 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 1.410 -29.936 31.501 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 0.506 -29.771 31.235 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 1.839 -29.083 31.435 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 4.015 -28.366 31.796 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 3.833 -27.450 31.585 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 4.191 -28.776 30.949 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 5.362 -30.931 35.659 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 4.580 -31.117 35.139 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 5.290 -30.002 35.876 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -3.210 -28.471 39.440 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -2.277 -28.313 39.584 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -3.474 -27.796 38.815 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 -7.611 -29.535 38.313 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 -7.879 -29.248 39.186 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 -6.840 -30.081 38.465 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 -0.155 -18.934 -8.604 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 -0.193 -19.580 -7.899 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 -0.478 -19.400 -9.375 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -7.787 -19.319 -7.011 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -7.745 -19.945 -6.287 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -7.084 -18.696 -6.829 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -6.863 -14.869 -8.476 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -7.233 -15.671 -8.845 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -5.922 -15.038 -8.429 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 -1.766 -16.501 -8.198 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 -1.462 -17.187 -8.792 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 -1.044 -16.383 -7.580 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 7.289 -23.422 -5.101 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 6.600 -22.764 -5.196 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 7.304 -23.619 -4.164 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 -6.660 -25.088 -6.524 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 -6.879 -24.558 -7.290 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 -7.328 -24.861 -5.876 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 -4.091 -17.412 -6.236 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 -4.831 -16.814 -6.133 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 -3.377 -16.858 -6.552 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -7.066 -23.196 -8.571 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -6.453 -22.563 -8.198 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -6.554 -23.668 -9.228 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 5.160 -15.907 -4.343 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 5.300 -16.498 -5.082 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 5.328 -15.034 -4.699 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 7.002 -19.567 -6.277 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 6.350 -18.872 -6.188 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 7.467 -19.357 -7.087 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 2.936 -20.561 -4.551 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 3.016 -19.798 -3.979 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 2.335 -20.282 -5.242 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -3.949 -14.677 -9.055 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -4.044 -15.255 -9.812 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -3.220 -15.048 -8.559 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -4.949 -19.336 -8.103 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -4.384 -19.215 -8.866 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -4.630 -18.699 -7.464 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 1.360 -13.833 -7.369 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 1.119 -13.171 -6.721 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 1.162 -14.667 -6.944 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -10.482 -13.892 -8.448 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -9.536 -14.036 -8.467 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -10.595 -13.108 -7.911 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 7.715 -13.226 -2.766 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 7.666 -14.181 -2.803 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 6.889 -12.958 -2.364 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -5.365 -26.879 -8.293 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -6.226 -26.966 -8.701 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -5.387 -26.023 -7.866 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -0.702 -27.157 -4.919 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -0.282 -27.572 -4.166 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -1.635 -27.335 -4.802 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 2.624 -23.401 -4.065 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 2.110 -23.527 -3.268 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 2.469 -22.489 -4.310 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 -5.274 -21.913 -7.198 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 -5.916 -21.954 -6.489 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 -5.237 -20.987 -7.436 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 -7.524 -21.593 -5.331 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 -7.562 -21.193 -4.463 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 -8.015 -22.410 -5.241 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 0.527 -20.192 -5.984 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 0.851 -20.823 -6.627 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 0.087 -20.727 -5.323 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 -1.375 -21.477 -9.313 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 -0.811 -22.024 -9.860 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 -1.523 -21.999 -8.524 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 -2.749 -23.089 -6.899 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 -3.584 -22.635 -6.789 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 -2.225 -22.813 -6.147 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 4.945 -17.743 -6.428 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 5.587 -17.286 -6.971 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 4.115 -17.630 -6.890 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -7.080 -17.581 -9.445 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -6.335 -17.583 -10.046 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -7.002 -18.405 -8.963 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 1.565 -14.230 -4.027 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 0.664 -14.047 -4.295 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 1.599 -13.971 -3.106 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 7.260 -16.185 -2.823 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 6.408 -15.947 -3.190 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 7.850 -16.202 -3.576 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 2.752 -18.391 -8.173 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 1.824 -18.623 -8.200 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 3.203 -19.168 -8.503 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 -2.763 -12.251 -6.149 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 -2.400 -11.396 -6.382 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 -2.231 -12.543 -5.408 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 0.781 -16.152 -6.448 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 0.355 -16.379 -5.622 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 1.362 -16.890 -6.631 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 3.440 -11.600 -3.979 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 2.838 -12.155 -4.474 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 3.721 -10.933 -4.605 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -8.438 -24.367 -4.572 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -9.331 -24.028 -4.639 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -8.537 -25.222 -4.154 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 0.297 -24.626 -5.682 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 0.995 -24.552 -5.032 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 -0.084 -25.490 -5.527 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 -1.183 -22.260 -4.565 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 -1.064 -21.686 -3.808 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 -0.528 -22.948 -4.450 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 5.021 -24.353 -3.730 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 4.105 -24.090 -3.818 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 5.357 -24.356 -4.627 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 1.598 -13.376 -1.435 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 1.247 -14.232 -1.192 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 2.324 -13.233 -0.828 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -4.138 -24.931 -5.461 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -3.602 -24.480 -6.113 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -4.990 -25.039 -5.883 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 -3.332 -27.475 -5.029 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 -3.430 -26.528 -5.135 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 -4.075 -27.847 -5.505 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 0.648 -24.026 -2.390 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 -0.300 -23.994 -2.258 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 0.960 -24.651 -1.736 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 2.282 -25.392 -0.385 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 2.185 -26.344 -0.391 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 1.960 -25.123 0.476 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -3.110 -28.181 -2.358 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -2.398 -28.821 -2.372 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -3.211 -27.914 -3.272 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -2.757 -26.498 -0.304 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -2.888 -26.974 -1.125 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -3.356 -25.754 -0.360 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -10.993 -9.586 -12.568 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -11.640 -10.048 -13.101 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.638 -10.258 -11.985 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -10.123 -11.505 -10.763 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -10.457 -12.386 -10.591 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -9.901 -11.160 -9.899 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 5.381 -13.366 -5.630 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 4.733 -13.041 -5.005 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 4.863 -13.806 -6.305 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 -10.043 -18.430 -8.312 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 -9.859 -18.512 -9.247 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 -9.194 -18.554 -7.888 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 5.273 -21.607 -5.648 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 4.430 -21.339 -5.282 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 5.716 -20.785 -5.859 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -10.445 -23.159 -2.171 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -9.526 -23.281 -1.935 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -10.895 -23.909 -1.782 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 7.556 -27.627 -0.294 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 7.906 -28.281 -0.900 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 7.703 -26.790 -0.734 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 7.076 -25.518 -1.945 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 6.159 -25.247 -1.981 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 7.199 -26.053 -2.729 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 1.159 -10.018 -3.206 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 1.836 -10.650 -3.446 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 1.481 -9.616 -2.398 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 6.077 -27.428 -4.126 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 5.264 -27.103 -4.514 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 6.310 -28.188 -4.659 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -0.917 -9.958 -7.156 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -1.374 -9.429 -7.810 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -0.754 -9.355 -6.431 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 1.410 -11.080 -6.211 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 0.506 -10.915 -6.477 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 1.839 -10.227 -6.277 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -8.680 -10.823 -8.451 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -8.699 -11.248 -7.594 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -7.875 -11.141 -8.860 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -6.539 -12.113 -9.796 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -6.758 -13.029 -9.627 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -5.715 -11.973 -9.330 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 -4.002 -11.643 -8.948 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -3.789 -12.531 -9.235 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 -3.937 -11.677 -7.993 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 -8.209 -26.831 -2.464 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 -8.575 -27.596 -2.021 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 -7.296 -26.802 -2.177 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -6.236 -27.480 -0.928 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -5.337 -27.754 -1.113 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -6.622 -28.223 -0.464 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 2.186 -28.148 -0.746 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 2.262 -28.574 0.108 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 3.079 -28.134 -1.088 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 5.362 -12.075 -2.053 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 4.580 -12.261 -2.573 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 5.290 -11.146 -1.836 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 6.798 -13.457 1.112 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 6.871 -12.518 1.282 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 7.703 -13.762 1.055 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -0.892 -9.880 4.772 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -0.967 -10.001 3.826 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -0.859 -8.930 4.891 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 2.210 -10.726 1.775 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 2.585 -11.470 1.304 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 2.214 -10.996 2.693 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 1.879 -10.800 4.524 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 0.944 -10.700 4.703 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 2.159 -11.509 5.102 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 5.592 -13.199 3.661 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 5.219 -14.025 3.971 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 5.869 -13.382 2.764 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 7.488 -10.743 1.683 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 8.231 -10.157 1.543 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 6.793 -10.175 2.016 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -3.912 -11.800 3.116 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -3.751 -11.000 2.615 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -4.109 -11.493 4.001 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 3.717 -12.431 0.301 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 4.000 -13.225 0.754 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 4.457 -12.198 -0.260 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -3.210 -9.615 1.728 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -2.277 -9.457 1.872 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -3.474 -8.940 1.103 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 5.000 -24.480 0.030 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 5.610 -24.852 0.667 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 4.163 -24.902 0.226 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 7.112 -25.595 1.573 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 7.525 -26.316 1.097 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 7.794 -24.925 1.631 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 4.164 -10.606 6.645 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 4.817 -10.953 6.037 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 4.675 -10.117 7.291 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -0.917 -9.958 11.700 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -1.374 -9.429 11.046 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -0.754 -9.355 12.425 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 -0.565 -10.389 1.973 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 0.301 -10.023 1.795 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 -0.812 -10.829 1.160 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 6.144 -10.826 4.653 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 5.950 -11.574 4.088 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 6.105 -10.068 4.069 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 7.289 -23.422 32.611 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 6.600 -22.764 32.516 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 7.304 -23.619 33.548 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 -5.683 -15.448 32.263 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 -5.689 -14.569 31.885 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 -6.537 -15.531 32.688 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 4.063 -14.155 29.758 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 3.121 -14.097 29.919 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 4.339 -13.249 29.621 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 5.160 -15.907 33.369 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 5.300 -16.498 32.630 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 5.328 -15.034 33.013 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 7.002 -19.567 31.435 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 6.350 -18.872 31.524 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 7.467 -19.357 30.625 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.949 -14.677 28.657 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -4.044 -15.255 27.900 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.220 -15.048 29.153 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 1.360 -13.833 30.343 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 1.119 -13.171 30.991 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 1.162 -14.667 30.768 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -4.069 -14.937 34.326 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -4.381 -14.155 34.782 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -4.719 -15.090 33.640 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 -5.830 -12.865 35.090 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 -5.822 -13.001 34.142 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 -6.746 -12.983 35.342 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -1.306 -13.652 33.822 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -1.219 -12.826 34.297 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -2.170 -13.982 34.071 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -7.238 -11.091 25.409 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -7.086 -11.439 26.288 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -8.089 -11.447 25.154 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 4.867 -21.733 35.426 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 4.460 -21.252 34.706 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 4.908 -22.638 35.119 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 -0.702 -27.157 32.793 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 -0.282 -27.572 33.546 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -1.635 -27.335 32.910 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -7.405 -16.884 35.661 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -6.672 -16.630 36.222 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -8.185 -16.680 36.176 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 1.565 -14.230 33.685 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 0.664 -14.047 33.417 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.599 -13.971 34.606 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 7.260 -16.185 34.889 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 6.408 -15.947 34.522 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 7.850 -16.202 34.136 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -2.763 -12.251 31.563 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -2.400 -11.396 31.330 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -2.231 -12.543 32.304 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 -4.594 -11.378 24.793 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 -5.544 -11.273 24.845 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 -4.243 -10.558 25.138 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 7.488 -10.743 20.539 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 8.231 -10.157 20.399 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 6.793 -10.175 20.872 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -8.787 -12.562 31.575 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -8.570 -13.494 31.544 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -8.540 -12.288 32.459 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 -3.912 -11.800 21.972 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 -3.751 -11.000 21.471 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 -4.109 -11.493 22.857 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 5.021 -24.353 33.982 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 4.105 -24.090 33.894 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 5.357 -24.356 33.085 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 4.710 -11.346 29.700 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 4.554 -10.668 29.043 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 5.642 -11.274 29.903 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 -8.865 -13.288 24.598 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 -9.697 -12.815 24.625 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 -8.319 -12.778 23.999 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 1.598 -13.376 36.277 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 1.247 -14.232 36.520 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 2.324 -13.233 36.884 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 2.721 -16.979 33.698 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 3.466 -16.391 33.578 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 1.964 -16.397 33.761 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 0.130 -18.185 36.954 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 1.083 -18.101 36.926 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -0.030 -18.896 37.573 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 1.860 -21.677 37.519 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 2.052 -22.608 37.408 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 2.717 -21.252 37.509 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 3.176 -18.888 35.597 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 2.895 -18.179 35.019 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 4.119 -18.961 35.446 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 0.648 -24.026 35.322 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -0.300 -23.994 35.454 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 0.960 -24.651 35.976 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 2.282 -25.392 37.327 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 2.185 -26.344 37.321 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 1.960 -25.123 38.188 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -3.110 -28.181 35.354 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -2.398 -28.821 35.340 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -3.211 -27.914 34.440 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 -2.757 -26.498 37.408 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 -2.888 -26.974 36.587 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 -3.356 -25.754 37.352 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -3.210 -9.615 20.584 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -2.277 -9.457 20.728 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -3.474 -8.940 19.959 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -10.993 -9.586 25.144 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -11.640 -10.048 24.611 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 -10.638 -10.258 25.727 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -10.123 -11.505 26.949 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -10.457 -12.386 27.121 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -9.901 -11.160 27.813 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 7.426 -10.696 29.929 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 7.404 -10.511 30.868 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 8.116 -10.127 29.588 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 7.135 -19.029 24.827 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 6.409 -19.508 25.225 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 7.716 -18.823 25.559 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 6.894 -16.244 29.775 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 7.728 -16.622 29.494 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 7.006 -15.301 29.656 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 5.381 -13.366 32.082 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 4.733 -13.041 32.707 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 4.863 -13.806 31.407 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 7.403 -19.128 21.218 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 6.882 -18.771 20.499 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 7.370 -18.453 21.896 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.778 -18.538 35.029 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 6.361 -19.272 35.220 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 6.342 -17.766 35.075 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 7.275 -20.635 35.713 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 6.412 -21.014 35.548 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 7.879 -21.374 35.639 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 7.556 -27.627 37.418 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 7.906 -28.281 36.812 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 7.703 -26.790 36.978 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 7.076 -25.518 35.767 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 6.159 -25.247 35.731 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 7.199 -26.053 34.983 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -8.451 -13.677 36.044 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -9.272 -13.502 35.584 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -8.703 -13.750 36.965 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 -5.497 -12.702 32.303 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 -5.922 -11.893 32.020 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 -4.592 -12.617 32.001 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 6.077 -27.428 33.586 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 5.264 -27.103 33.198 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 6.310 -28.188 33.053 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -0.917 -9.958 30.556 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -1.374 -9.429 29.902 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -0.754 -9.355 31.281 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 1.410 -11.080 31.501 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 0.506 -10.915 31.235 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 1.839 -10.227 31.435 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 4.015 -9.510 31.796 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 3.833 -8.594 31.585 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 4.191 -9.920 30.949 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 -8.680 -10.823 29.261 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 -8.699 -11.248 30.118 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 -7.875 -11.141 28.852 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -6.539 -12.113 27.916 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -6.758 -13.029 28.085 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -5.715 -11.973 28.382 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 -4.002 -11.643 28.764 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 -3.789 -12.531 28.477 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 -3.937 -11.677 29.719 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 -6.236 -27.480 36.784 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 -5.337 -27.754 36.599 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 -6.622 -28.223 37.248 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 -10.253 -21.209 43.485 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 -10.701 -20.363 43.467 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 -10.814 -21.789 42.970 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -9.543 -19.047 45.611 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -9.329 -19.817 46.138 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -8.805 -18.958 45.008 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 -9.562 -15.777 41.901 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 -9.834 -15.548 41.012 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 -9.517 -14.939 42.361 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 -0.313 -20.487 39.036 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 0.388 -20.465 39.687 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 -0.011 -21.115 38.380 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 -6.326 -19.035 42.421 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 -6.618 -18.267 41.930 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 -7.000 -19.695 42.258 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 3.387 -18.540 38.264 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 3.429 -18.763 37.334 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 4.236 -18.142 38.454 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 -1.040 -24.664 38.934 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 -1.294 -24.645 39.857 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 -1.297 -25.536 38.633 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -4.158 -24.219 38.035 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -4.589 -24.664 38.765 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -4.876 -23.847 37.523 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -9.641 -23.731 40.511 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -9.167 -23.140 39.926 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -10.359 -23.200 40.858 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -7.867 -22.636 44.195 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -8.756 -22.536 43.855 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -7.571 -23.478 43.849 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -4.214 -22.636 41.851 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -3.282 -22.507 42.029 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -4.429 -21.966 41.202 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -5.540 -21.441 39.418 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -6.082 -21.821 38.727 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -4.706 -21.247 38.989 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 -2.205 -16.876 41.354 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 -2.949 -17.383 41.031 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 -2.339 -16.827 42.300 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -2.925 -14.111 37.641 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -2.686 -14.859 37.093 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -3.194 -14.499 38.473 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -7.535 -17.288 40.607 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -8.221 -16.936 41.174 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -7.012 -16.525 40.361 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -5.178 -25.102 40.444 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -5.261 -24.213 40.790 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -4.288 -25.367 40.675 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -6.919 -14.674 39.504 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -6.327 -13.975 39.780 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -6.460 -15.107 38.785 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 -5.328 -16.521 37.870 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 -5.264 -17.315 38.401 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 -4.675 -16.640 37.181 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 0.024 -15.474 37.606 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 -0.244 -15.294 38.507 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 -0.182 -16.400 37.475 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -4.179 -18.549 40.176 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -4.638 -19.033 40.862 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -3.924 -19.217 39.540 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -3.108 -20.306 38.439 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -3.288 -20.460 37.511 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -2.157 -20.198 38.483 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 -9.642 -14.979 38.923 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 -8.728 -14.900 39.196 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 -9.635 -15.666 38.256 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -10.607 -25.590 42.412 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -11.532 -25.381 42.282 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -10.153 -25.106 41.722 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 -9.330 -27.547 40.390 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 -8.891 -26.936 39.799 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 -9.964 -27.009 40.864 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -7.469 -25.631 38.833 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -6.978 -26.261 38.305 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -6.846 -25.335 39.496 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -2.443 -25.338 41.290 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -2.265 -25.984 41.973 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -2.497 -24.504 41.757 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -7.787 -0.463 -7.011 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -7.745 -1.089 -6.287 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -7.084 0.160 -6.829 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 -6.863 3.987 -8.476 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 -7.233 3.185 -8.845 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 -5.922 3.818 -8.429 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -10.253 -2.353 -13.083 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -10.701 -1.507 -13.101 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -10.814 -2.933 -13.598 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -9.543 -0.191 -10.957 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -9.329 -0.961 -10.430 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -8.805 -0.102 -11.560 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -8.850 -2.753 -9.836 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -8.196 -3.303 -9.404 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -8.826 -3.027 -10.752 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -6.660 -6.232 -6.524 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -6.879 -5.702 -7.290 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -7.328 -6.005 -5.876 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 -4.091 1.444 -6.236 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 -4.831 2.042 -6.133 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 -3.377 1.998 -6.552 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 -7.066 -4.340 -8.571 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 -6.453 -3.707 -8.198 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -6.554 -4.812 -9.228 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -5.683 3.408 -5.449 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -5.689 4.287 -5.827 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -6.537 3.325 -5.024 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 -2.634 -8.926 -9.071 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 -2.751 -9.875 -9.125 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 -3.489 -8.594 -8.798 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -4.949 -0.480 -8.103 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -4.384 -0.359 -8.866 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -4.630 0.157 -7.464 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 -4.069 3.919 -3.386 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 -4.381 4.701 -2.930 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 -4.719 3.766 -4.072 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -5.830 5.991 -2.622 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -5.822 5.855 -3.570 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -6.746 5.873 -2.370 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -10.482 4.964 -8.448 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -9.536 4.820 -8.467 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -10.595 5.748 -7.911 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -7.984 3.507 -4.289 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -7.767 3.146 -3.429 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -8.839 3.133 -4.499 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 -5.365 -8.023 -8.293 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 -6.226 -8.110 -8.701 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 -5.387 -7.167 -7.866 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -0.702 -8.301 -4.919 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -0.282 -8.716 -4.166 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -1.635 -8.479 -4.802 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 -5.274 -3.057 -7.198 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 -5.916 -3.098 -6.489 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 -5.237 -2.131 -7.436 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -0.639 -2.245 -1.981 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -1.202 -2.949 -1.661 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 0.187 -2.365 -1.514 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 -10.916 -5.621 -11.481 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 -10.285 -5.650 -10.761 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 -10.466 -6.046 -12.211 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 -7.867 -3.780 -12.373 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 -8.756 -3.680 -12.713 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 -7.571 -4.622 -12.719 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -2.749 -4.233 -6.899 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -3.584 -3.779 -6.789 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -2.225 -3.957 -6.147 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 -0.685 2.164 -3.977 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 -1.031 1.783 -3.171 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 -0.885 3.098 -3.906 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -7.080 1.275 -9.445 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -6.335 1.273 -10.046 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -7.002 0.451 -8.963 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -3.055 -0.747 -1.917 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -3.351 -0.913 -2.812 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -2.124 -0.967 -1.927 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -8.787 6.294 -6.137 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -8.570 5.362 -6.168 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -8.540 6.568 -5.253 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 -1.183 -3.404 -4.565 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 -1.064 -2.830 -3.808 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 -0.528 -4.092 -4.450 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 -7.795 -8.372 -9.275 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 -8.024 -8.313 -10.202 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 -8.238 -9.164 -8.968 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -4.979 7.100 -0.164 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -4.211 6.641 0.177 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -5.000 6.874 -1.094 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -3.014 1.961 -1.397 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -3.342 2.232 -2.255 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -2.862 1.020 -1.485 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -4.550 -4.445 -2.953 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -4.400 -5.174 -3.556 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -4.548 -3.668 -3.512 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -4.138 -6.075 -5.461 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -3.602 -5.624 -6.113 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -4.990 -6.183 -5.883 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 -2.556 -0.636 -5.221 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 -1.805 -0.792 -5.794 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 -2.895 0.216 -5.497 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 -3.332 -8.619 -5.029 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -3.430 -7.672 -5.135 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 -4.075 -8.991 -5.505 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 -2.068 -4.297 -1.466 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 -2.304 -4.517 -0.564 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 -2.851 -4.504 -1.975 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -2.757 -7.642 -0.304 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -2.888 -8.118 -1.125 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -3.356 -6.898 -0.360 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -10.043 0.426 -8.312 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -9.859 0.344 -9.247 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -9.194 0.302 -7.888 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 -9.224 -5.991 -9.280 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 -8.779 -6.783 -8.978 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 -8.758 -5.275 -8.849 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 -10.607 -6.734 -14.156 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 -11.532 -6.525 -14.286 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 -10.153 -6.250 -14.846 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -8.451 5.179 -1.668 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -9.272 5.354 -2.128 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -8.703 5.106 -0.747 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -5.497 6.154 -5.409 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -5.922 6.963 -5.692 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -4.592 6.239 -5.711 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -8.095 9.410 -5.362 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -8.815 9.850 -5.813 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -8.461 9.159 -4.513 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -5.628 9.010 -6.332 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -6.493 9.082 -5.928 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 -5.683 9.557 -7.116 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -8.680 8.033 -8.451 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -8.699 7.608 -7.594 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -7.875 7.715 -8.860 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -8.167 -8.489 -11.981 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -8.944 -8.723 -12.489 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -7.636 -9.286 -11.973 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 2.186 -9.292 -0.746 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 2.262 -9.718 0.108 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 3.079 -9.278 -1.088 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -10.253 -2.353 5.773 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -10.701 -1.507 5.755 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -10.814 -2.933 5.258 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 6.897 -6.044 11.519 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 6.946 -5.434 12.255 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 7.323 -5.583 10.796 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -5.470 -5.150 8.258 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -5.427 -4.290 7.840 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -5.928 -5.702 7.625 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -8.850 -2.753 9.020 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -8.196 -3.303 9.452 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -8.826 -3.027 8.104 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 4.016 -5.728 8.640 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 3.801 -6.494 9.172 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 4.672 -5.256 9.153 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -7.066 -4.340 10.285 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -6.453 -3.707 10.658 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -6.554 -4.812 9.628 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 -9.562 3.079 4.189 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 -9.834 3.308 3.300 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 -9.517 3.917 4.649 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 4.363 -7.013 12.319 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 3.627 -6.402 12.281 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 5.047 -6.598 11.793 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 -2.634 -8.926 9.785 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 -2.751 -9.875 9.731 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 -3.489 -8.594 10.058 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -6.326 -0.179 4.709 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -6.618 0.589 4.218 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -7.000 -0.839 4.546 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -5.365 -8.023 10.563 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -6.226 -8.110 10.155 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -5.387 -7.167 10.990 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 -0.702 -8.301 13.937 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 -0.282 -8.716 14.690 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 -1.635 -8.479 14.054 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 2.624 -4.545 14.791 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 2.110 -4.671 15.588 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 2.469 -3.633 14.546 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 -1.040 -5.808 1.222 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 -1.294 -5.789 2.145 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 -1.297 -6.680 0.921 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -5.274 -3.057 11.658 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -5.916 -3.098 12.367 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -5.237 -2.131 11.420 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -7.524 -2.737 13.525 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -7.562 -2.337 14.393 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -8.015 -3.554 13.615 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -4.158 -5.363 0.323 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -4.589 -5.808 1.053 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 -4.876 -4.991 -0.189 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -10.916 -5.621 7.375 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -10.285 -5.650 8.095 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -10.466 -6.046 6.645 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -9.641 -4.875 2.799 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -9.167 -4.284 2.214 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -10.359 -4.344 3.146 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -7.867 -3.780 6.483 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -8.756 -3.680 6.143 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -7.571 -4.622 6.137 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 -4.214 -3.780 4.139 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 -3.282 -3.651 4.317 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 -4.429 -3.110 3.490 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 1.710 -6.174 10.920 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 1.033 -6.043 11.584 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 1.224 -6.329 10.110 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -5.540 -2.585 1.706 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -6.082 -2.965 1.015 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -4.706 -2.391 1.277 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -6.373 -6.485 5.961 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -6.690 -7.387 5.926 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -5.592 -6.483 5.409 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 -2.749 -4.233 11.957 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 -3.584 -3.779 12.067 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 -2.225 -3.957 12.709 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -2.205 1.980 3.642 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -2.949 1.473 3.319 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -2.339 2.029 4.588 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 -2.925 4.745 -0.071 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 -2.686 3.997 -0.619 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 -3.194 4.357 0.761 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -3.988 4.315 2.385 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -3.841 3.795 3.175 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -3.991 5.222 2.691 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -7.535 1.568 2.895 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -8.221 1.920 3.462 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -7.012 2.331 2.649 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 0.297 -5.770 13.174 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 0.995 -5.696 13.824 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -0.084 -6.634 13.329 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 -0.835 -7.309 6.044 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 -1.182 -6.691 6.689 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 -0.177 -6.808 5.563 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -5.178 -6.246 2.732 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -5.261 -5.357 3.078 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -4.288 -6.511 2.963 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 5.021 -5.497 15.126 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 4.105 -5.234 15.038 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 5.357 -5.500 14.229 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -6.919 4.182 1.792 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -6.327 4.881 2.068 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -6.460 3.749 1.073 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 -7.795 -8.372 9.581 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 -8.024 -8.313 8.654 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 -8.238 -9.164 9.888 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -4.179 0.307 2.464 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -4.638 -0.177 3.150 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -3.924 -0.361 1.828 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -4.890 -1.800 14.820 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -5.508 -1.125 15.101 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -4.546 -1.479 13.987 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -3.108 -1.450 0.727 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -3.288 -1.604 -0.201 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -2.157 -1.342 0.771 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -4.550 -4.445 15.903 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -4.400 -5.174 15.300 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -4.548 -3.668 15.344 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -4.138 -6.075 13.395 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -3.602 -5.624 12.743 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -4.990 -6.183 12.973 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 -6.072 -3.247 17.814 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 -6.839 -3.779 17.604 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 -5.393 -3.557 17.215 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -2.068 -4.297 17.390 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -2.304 -4.517 18.292 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -2.851 -4.504 16.881 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 0.648 -5.170 16.466 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 -0.300 -5.138 16.598 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 0.960 -5.795 17.120 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 2.282 -6.536 18.471 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 2.185 -7.488 18.465 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 1.960 -6.267 19.332 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 -7.891 -5.326 17.519 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 -7.680 -6.033 16.908 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 -8.003 -5.764 18.363 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -2.757 -7.642 18.552 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -2.888 -8.118 17.731 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -3.356 -6.898 18.496 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 -9.642 3.877 1.211 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 -8.728 3.956 1.484 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 -9.635 3.190 0.544 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -10.445 -4.303 16.685 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -9.526 -4.425 16.921 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -10.895 -5.053 17.074 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 7.556 -8.771 18.562 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 7.906 -9.425 17.956 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 7.703 -7.934 18.122 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -9.224 -5.991 9.576 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -8.779 -6.783 9.878 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -8.758 -5.275 10.007 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -10.920 -2.992 10.645 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -10.428 -3.213 9.855 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -10.558 -2.151 10.926 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 7.076 -6.662 16.911 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 6.159 -6.391 16.875 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 7.199 -7.197 16.127 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -10.607 -6.734 4.700 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -11.532 -6.525 4.570 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -10.153 -6.250 4.010 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 6.077 -8.572 14.730 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 5.264 -8.247 14.342 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 6.310 -9.332 14.197 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -0.493 -7.123 9.053 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -1.168 -7.752 9.308 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 0.071 -7.607 8.450 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 4.649 -9.016 9.165 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 5.253 -8.468 8.664 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 3.780 -8.696 8.925 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 6.376 -7.877 7.499 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 6.988 -8.391 6.972 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 6.759 -6.999 7.522 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -8.167 -8.489 6.875 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -8.944 -8.723 6.367 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -7.636 -9.286 6.883 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -9.330 -8.691 2.678 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -8.891 -8.080 2.087 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -9.964 -8.153 3.152 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 -3.587 -8.562 6.688 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 -2.713 -8.174 6.658 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 -3.723 -8.777 7.611 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.970 -8.532 8.337 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 2.046 -8.437 7.388 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 1.694 -9.440 8.466 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 3.323 -8.506 4.030 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 2.620 -7.892 3.820 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 2.878 -9.344 4.161 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -9.429 7.257 3.576 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -10.114 7.219 2.908 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -9.426 8.170 3.864 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -7.469 -6.775 1.121 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -6.978 -7.405 0.593 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -6.846 -6.479 1.784 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -6.236 -8.624 17.928 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -5.337 -8.898 17.743 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -6.622 -9.367 18.392 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -7.611 8.177 0.601 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -7.879 8.464 1.474 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -6.840 7.631 0.753 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 6.897 -6.044 30.375 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 6.946 -5.434 31.111 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 7.323 -5.583 29.652 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 2.252 -5.019 25.515 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 2.898 -5.348 26.140 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 2.762 -4.501 24.892 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 4.016 -5.728 27.496 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 3.801 -6.494 28.028 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 4.672 -5.256 28.009 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 4.363 -7.013 31.175 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 3.627 -6.402 31.137 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 5.047 -6.598 30.649 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 -2.634 -8.926 28.641 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 -2.751 -9.875 28.587 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 -3.489 -8.594 28.914 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 -1.040 -5.808 20.078 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 -1.294 -5.789 21.001 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 -1.297 -6.680 19.777 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 0.259 -2.420 24.243 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -0.150 -1.605 23.951 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 0.979 -2.560 23.628 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 1.263 -2.974 27.057 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 1.068 -2.369 26.342 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 1.445 -3.808 26.622 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -4.158 -5.363 19.179 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -4.589 -5.808 19.909 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -4.876 -4.991 18.667 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 -2.695 -5.409 26.512 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 -3.606 -5.352 26.801 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 -2.190 -5.469 27.323 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 1.710 -6.174 29.776 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 1.033 -6.043 30.440 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 1.224 -6.329 28.966 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 1.693 -5.206 20.697 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 0.755 -5.094 20.546 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 1.990 -4.349 21.003 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 2.411 -3.339 22.358 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 3.303 -3.476 22.677 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 2.468 -2.548 21.821 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 7.296 -3.129 22.052 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 6.742 -3.525 21.380 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 7.397 -2.219 21.775 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -1.719 -4.390 23.962 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -0.907 -3.886 24.008 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 -1.964 -4.535 24.876 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -5.178 -6.246 21.588 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -5.261 -5.357 21.934 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -4.288 -6.511 21.819 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -8.603 -3.154 19.764 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -8.648 -2.215 19.943 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -9.491 -3.390 19.494 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 5.000 -5.624 18.886 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 5.610 -5.996 19.523 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 4.163 -6.046 19.082 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 4.632 -4.069 23.852 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 4.912 -4.976 23.977 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 5.391 -3.635 23.463 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 7.112 -6.739 20.429 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 7.525 -7.460 19.953 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 7.794 -6.069 20.487 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -0.493 -7.123 27.909 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -1.168 -7.752 28.164 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 0.071 -7.607 27.306 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 4.649 -9.016 28.021 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 5.253 -8.468 27.520 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 3.780 -8.696 27.781 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 -9.330 -8.691 21.534 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -8.891 -8.080 20.943 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 -9.964 -8.153 22.008 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 -3.587 -8.562 25.544 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 -2.713 -8.174 25.514 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 -3.723 -8.777 26.467 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 -7.469 -6.775 19.977 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 -6.978 -7.405 19.449 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 -6.846 -6.479 20.640 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -2.443 -6.482 22.434 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -2.265 -7.128 23.117 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -2.497 -5.648 22.901 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -8.438 13.345 -4.572 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -9.331 13.684 -4.639 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -8.537 12.490 -4.154 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 -7.891 13.530 -1.337 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 -7.680 12.823 -1.948 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 -8.003 13.092 -0.493 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 -10.445 14.553 -2.171 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 -9.526 14.431 -1.935 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 -10.895 13.803 -1.782 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 -10.643 10.860 -5.812 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 -11.308 10.614 -5.169 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 -11.086 11.482 -6.389 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 -8.209 10.881 -2.464 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 -8.575 10.116 -2.021 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 -7.296 10.910 -2.177 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 -6.236 10.232 -0.928 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 -5.337 9.958 -1.113 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 -6.622 9.489 -0.464 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 -9.330 10.165 2.678 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 -8.891 10.776 2.087 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 -9.964 10.703 3.152 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 -7.469 12.081 1.121 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 -6.978 11.451 0.593 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 -6.846 12.377 1.784 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 11.993 -33.725 10.380 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 11.623 -34.527 10.011 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 12.934 -33.894 10.427 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 9.294 -34.633 4.189 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 9.022 -34.404 3.300 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 9.339 -33.795 4.649 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 13.026 -31.721 16.234 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 13.034 -31.857 15.286 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 12.110 -31.839 16.486 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 8.623 -35.528 13.524 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 8.122 -35.556 12.709 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 8.629 -36.434 13.834 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 11.618 -29.947 6.553 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 11.770 -30.295 7.432 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 10.767 -30.303 6.298 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 10.872 -34.205 14.567 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 11.089 -34.566 15.427 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 10.017 -34.579 14.357 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 11.776 -36.437 9.411 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 12.521 -36.439 8.810 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 11.854 -37.261 9.893 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 10.069 -31.418 12.719 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 10.286 -32.350 12.688 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 10.316 -31.144 13.603 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 9.991 -32.144 5.742 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 9.159 -31.671 5.769 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 10.537 -31.634 5.143 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 8.813 -37.286 10.544 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 8.997 -37.368 9.609 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 9.662 -37.410 10.968 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 10.405 -32.533 17.188 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 9.584 -32.358 16.728 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 10.153 -32.606 18.109 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 13.359 -31.558 13.447 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 12.934 -30.749 13.164 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 14.264 -31.473 13.145 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 10.761 -28.302 13.494 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 10.041 -27.862 13.043 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 10.395 -28.553 14.343 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 13.228 -28.702 12.524 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 12.363 -28.630 12.928 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 13.173 -28.155 11.740 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 12.317 -30.969 9.060 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 12.098 -31.885 9.229 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 13.141 -30.829 9.526 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 9.427 -30.455 3.576 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 8.742 -30.493 2.908 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 9.430 -29.542 3.864 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 11.069 -38.175 30.701 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 11.111 -38.801 31.425 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 11.772 -37.552 30.883 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 11.993 -33.725 29.236 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 11.623 -34.527 28.867 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 12.934 -33.894 29.283 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 13.173 -34.304 32.263 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 13.167 -33.425 31.885 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 12.319 -34.387 32.688 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 9.294 -34.633 23.045 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 9.022 -34.404 22.156 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 9.339 -33.795 23.505 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 14.907 -33.533 28.657 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 14.812 -34.111 27.900 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 15.636 -33.904 29.153 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 14.787 -33.793 34.326 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 14.475 -33.011 34.782 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 14.137 -33.946 33.640 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 11.707 -37.595 33.555 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 11.777 -36.944 34.253 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 10.816 -37.492 33.220 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 13.026 -31.721 35.090 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 13.034 -31.857 34.142 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 12.110 -31.839 35.342 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 8.623 -35.528 32.380 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 8.122 -35.556 31.565 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 8.629 -36.434 32.690 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 11.618 -29.947 25.409 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 11.770 -30.295 26.288 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 10.767 -30.303 25.154 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 10.872 -34.205 33.423 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 11.089 -34.566 34.283 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 10.017 -34.579 33.213 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 11.451 -35.740 35.661 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 12.184 -35.486 36.222 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 10.671 -35.536 36.176 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 11.776 -36.437 28.267 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 12.521 -36.439 27.666 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 11.854 -37.261 28.749 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 8.784 -37.976 33.582 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 9.007 -38.394 34.414 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 8.182 -38.589 33.160 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 14.151 -32.919 25.672 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 14.678 -32.146 25.471 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 13.271 -32.694 25.370 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 16.093 -31.107 31.563 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 16.456 -30.252 31.330 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 16.625 -31.399 32.304 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 14.262 -30.234 24.793 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 13.312 -30.129 24.845 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 14.613 -29.414 25.138 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 11.937 -33.530 20.648 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 12.529 -32.831 20.924 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 12.396 -33.963 19.929 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 9.280 -29.531 35.928 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 9.820 -29.748 36.687 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 8.799 -30.337 35.738 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 13.877 -30.612 37.548 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 14.645 -31.071 37.889 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 13.856 -30.838 36.618 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 9.187 -35.721 36.882 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 9.331 -36.623 36.596 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 8.414 -35.435 36.394 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 9.214 -33.835 20.067 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 10.128 -33.756 20.340 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 9.221 -34.522 19.400 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 8.813 -37.286 29.400 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 8.997 -37.368 28.465 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 9.662 -37.410 29.824 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 10.405 -32.533 36.044 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 9.584 -32.358 35.584 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 10.153 -32.606 36.965 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.359 -31.558 32.303 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 12.934 -30.749 32.020 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 14.264 -31.473 32.001 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 17.939 -28.814 30.556 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 17.482 -28.285 29.902 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 18.102 -28.211 31.281 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 14.854 -30.499 28.764 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 15.067 -31.387 28.477 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 14.919 -30.533 29.719 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 11.245 -29.535 19.457 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 10.977 -29.248 20.330 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 12.016 -30.081 19.609 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 11.245 -29.535 38.313 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 10.977 -29.248 39.186 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 12.016 -30.081 38.465 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 11.707 -18.739 -4.157 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 11.777 -18.088 -3.459 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 10.816 -18.636 -4.492 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 8.623 -16.672 -5.332 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 8.122 -16.700 -6.147 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 8.629 -17.578 -5.022 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 11.332 -21.593 -5.331 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.294 -21.193 -4.463 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.841 -22.410 -5.241 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 11.451 -16.884 -2.051 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 12.184 -16.630 -1.490 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 10.671 -16.680 -1.536 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 8.784 -19.120 -4.130 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 9.007 -19.538 -3.298 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 8.182 -19.733 -4.552 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 10.418 -24.367 -4.572 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 9.525 -24.028 -4.639 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 10.319 -25.222 -4.154 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 9.187 -16.865 -0.830 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 9.331 -17.767 -1.116 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 8.414 -16.579 -1.318 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.019 -19.665 -1.410 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 10.427 -20.522 -1.531 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 9.759 -19.650 -0.489 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 10.965 -24.182 -1.337 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 11.176 -24.889 -1.948 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 10.853 -24.620 -0.493 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 8.411 -23.159 -2.171 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 9.330 -23.281 -1.935 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 7.961 -23.909 -1.782 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 11.993 -14.869 10.380 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 11.623 -15.671 10.011 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 12.934 -15.038 10.427 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 13.386 -24.006 8.258 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 13.429 -23.146 7.840 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 12.928 -24.558 7.625 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 15.162 -20.059 8.236 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 15.778 -20.585 8.745 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 14.576 -20.699 7.832 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 12.196 -25.088 12.332 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 11.977 -24.558 11.566 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 11.528 -24.861 12.980 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 14.765 -17.412 12.620 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 14.025 -16.814 12.723 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 15.479 -16.858 12.304 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 11.790 -23.196 10.285 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 12.403 -22.563 10.658 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 12.302 -23.668 9.628 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 13.173 -15.448 13.407 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 13.167 -14.569 13.029 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 12.319 -15.531 13.832 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 9.294 -15.777 4.189 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 9.022 -15.548 3.300 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 9.339 -14.939 4.649 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 13.540 -18.105 7.120 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 13.210 -18.475 6.301 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 14.128 -18.775 7.466 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 13.907 -19.336 10.753 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 14.472 -19.215 9.990 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 14.226 -18.699 11.392 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 14.787 -14.937 15.470 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 14.475 -14.155 15.926 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 14.137 -15.090 14.784 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 12.530 -19.035 4.709 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 12.238 -18.267 4.218 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 11.856 -19.695 4.546 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 17.550 -13.652 14.966 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 17.637 -12.826 15.441 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 16.686 -13.982 15.215 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 11.618 -11.091 6.553 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 11.770 -11.439 7.432 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 10.767 -11.447 6.298 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.491 -26.879 10.563 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 12.630 -26.966 10.155 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 13.469 -26.023 10.990 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 13.582 -21.913 11.658 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 12.940 -21.954 12.367 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 13.619 -20.987 11.420 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 13.579 -21.692 6.570 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 12.686 -22.033 6.511 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.030 -22.069 5.814 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.332 -21.593 13.525 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.294 -21.193 14.393 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.841 -22.410 13.615 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 9.215 -23.731 2.799 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 9.689 -23.140 2.214 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 8.497 -23.200 3.146 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 16.161 -24.265 7.656 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 15.250 -24.208 7.945 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 16.666 -24.325 8.467 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 14.642 -22.636 4.139 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 15.574 -22.507 4.317 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 14.427 -21.966 3.490 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 13.316 -21.441 1.706 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 12.774 -21.821 1.015 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 14.150 -21.247 1.277 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 12.483 -25.341 5.961 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 12.166 -26.243 5.926 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 13.264 -25.339 5.409 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 11.776 -17.581 9.411 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 12.521 -17.583 8.810 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 11.854 -18.405 9.893 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 15.801 -19.603 16.939 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 15.505 -19.769 16.044 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 16.732 -19.823 16.929 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 9.906 -19.201 1.403 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.522 -18.574 1.782 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 9.044 -18.885 1.674 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 16.093 -12.251 12.707 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 16.456 -11.396 12.474 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 16.625 -12.543 13.448 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 10.418 -24.367 14.284 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 9.525 -24.028 14.217 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 10.319 -25.222 14.702 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 11.321 -17.288 2.895 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 10.635 -16.936 3.462 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 11.844 -16.525 2.649 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 13.678 -25.102 2.732 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 13.595 -24.213 3.078 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 14.568 -25.367 2.963 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 10.253 -22.010 0.908 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 10.208 -21.071 1.087 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 9.365 -22.246 0.638 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 11.061 -27.228 9.581 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 10.832 -27.169 8.654 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 10.618 -28.020 9.888 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 9.991 -13.288 5.742 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 9.159 -12.815 5.769 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 10.537 -12.778 5.143 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 13.877 -11.756 18.692 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 14.645 -12.215 19.033 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 13.856 -11.982 17.762 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 15.842 -16.895 17.459 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 15.514 -16.624 16.601 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 15.994 -17.836 17.371 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 13.966 -20.656 14.820 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 13.348 -19.981 15.101 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 14.310 -20.335 13.987 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 14.306 -23.301 15.903 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 14.456 -24.030 15.300 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 14.308 -22.524 15.344 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 16.300 -19.492 13.635 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 17.051 -19.648 13.062 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 15.961 -18.640 13.359 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 12.784 -22.103 17.814 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 12.017 -22.635 17.604 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 13.463 -22.413 17.215 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 10.965 -24.182 17.519 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 11.176 -24.889 16.908 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 10.853 -24.620 18.363 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 9.214 -14.979 1.211 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 10.128 -14.900 1.484 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 9.221 -15.666 0.544 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 7.863 -9.586 6.288 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 7.216 -10.048 5.755 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 8.218 -10.258 6.871 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 8.733 -11.505 8.093 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 8.399 -12.386 8.265 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 8.955 -11.160 8.957 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 8.411 -23.159 16.685 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 9.330 -23.281 16.921 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 7.961 -23.909 17.074 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 13.359 -12.702 13.447 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 12.934 -11.893 13.164 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 14.264 -12.617 13.145 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 17.670 -11.303 16.406 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 17.855 -11.637 17.284 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 18.517 -10.994 16.084 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 10.761 -9.446 13.494 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 10.041 -9.006 13.043 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 10.395 -9.697 14.343 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 13.228 -9.846 12.524 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 12.363 -9.774 12.928 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 13.173 -9.299 11.740 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 10.176 -10.823 10.405 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 10.157 -11.248 11.262 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 10.981 -11.141 9.996 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.317 -12.113 9.060 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 12.098 -13.029 9.229 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 13.141 -11.973 9.526 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 10.689 -27.345 6.875 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 9.912 -27.579 6.367 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 11.220 -28.142 6.883 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 9.526 -27.547 2.678 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 9.965 -26.936 2.087 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 8.892 -27.009 3.152 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 9.427 -11.599 3.576 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 8.742 -11.637 2.908 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 9.430 -10.686 3.864 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 11.387 -25.631 1.121 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 11.878 -26.261 0.593 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 12.010 -25.335 1.784 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 10.647 -26.831 16.392 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 10.281 -27.596 16.835 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 11.560 -26.802 16.679 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 12.620 -27.480 17.928 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 13.519 -27.754 17.743 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 12.234 -28.223 18.392 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 8.603 -21.209 24.629 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 8.155 -20.363 24.611 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 8.042 -21.789 24.114 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 9.313 -19.047 26.755 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 9.527 -19.817 27.282 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 10.051 -18.958 26.152 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 13.386 -24.006 27.114 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 13.429 -23.146 26.696 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 12.928 -24.558 26.481 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 10.006 -21.609 27.876 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 10.660 -22.159 28.308 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 10.030 -21.883 26.960 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 12.196 -25.088 31.188 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.977 -24.558 30.422 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 11.528 -24.861 31.836 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 11.790 -23.196 29.141 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 12.403 -22.563 29.514 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 12.302 -23.668 28.484 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 9.294 -15.777 23.045 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 9.022 -15.548 22.156 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 9.339 -14.939 23.505 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 16.222 -27.782 28.641 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 16.105 -28.731 28.587 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 15.367 -27.450 28.914 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 8.623 -16.672 32.380 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 8.122 -16.700 31.565 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 8.629 -17.578 32.690 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 8.374 -13.892 29.264 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 9.320 -14.036 29.245 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 8.261 -13.108 29.801 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 11.618 -11.091 25.409 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 11.770 -11.439 26.288 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 10.767 -11.447 25.154 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 13.491 -26.879 29.419 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 12.630 -26.966 29.011 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 13.469 -26.023 29.846 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 13.582 -21.913 30.514 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 12.940 -21.954 31.223 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 13.619 -20.987 30.276 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 11.332 -21.593 32.381 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 11.294 -21.193 33.249 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.841 -22.410 32.471 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 9.215 -23.731 21.655 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 9.689 -23.140 21.070 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 8.497 -23.200 22.002 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 10.989 -22.636 25.339 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 10.100 -22.536 24.999 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 11.285 -23.478 24.993 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 13.316 -21.441 20.562 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 12.774 -21.821 19.871 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 14.150 -21.247 20.133 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 12.483 -25.341 24.817 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 12.166 -26.243 24.782 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 13.264 -25.339 24.265 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 8.784 -19.120 33.582 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 9.007 -19.538 34.414 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 8.182 -19.733 33.160 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 9.906 -19.201 20.259 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 10.522 -18.574 20.638 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 9.044 -18.885 20.530 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 10.418 -24.367 33.140 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 9.525 -24.028 33.073 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 10.319 -25.222 33.558 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 15.931 -14.111 18.785 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 16.170 -14.859 18.237 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 15.662 -14.499 19.617 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 14.868 -14.541 21.241 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 15.015 -15.061 22.031 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 14.865 -13.634 21.547 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 11.321 -17.288 21.751 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 10.635 -16.936 22.318 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 11.844 -16.525 21.505 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 14.944 -11.800 21.972 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 15.105 -11.000 21.471 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 14.747 -11.493 22.857 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 13.678 -25.102 21.588 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 13.595 -24.213 21.934 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 14.568 -25.367 21.819 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 11.937 -14.674 20.648 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 12.529 -13.975 20.924 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 12.396 -15.107 19.929 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 10.253 -22.010 19.764 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 10.208 -21.071 19.943 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 9.365 -22.246 19.494 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 9.991 -13.288 24.598 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 9.159 -12.815 24.625 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 10.537 -12.778 23.999 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 13.528 -16.521 19.014 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 13.592 -17.315 19.545 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 14.181 -16.640 18.325 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 14.677 -18.549 21.320 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 14.218 -19.033 22.006 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 14.932 -19.217 20.684 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 14.718 -24.931 32.251 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 15.254 -24.480 31.599 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 13.866 -25.039 31.829 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 15.524 -27.475 32.683 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 15.426 -26.528 32.577 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 14.781 -27.847 32.207 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 10.965 -24.182 36.375 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 11.176 -24.889 35.764 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 10.853 -24.620 37.219 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 15.746 -28.181 35.354 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 16.458 -28.821 35.340 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 15.645 -27.914 34.440 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 8.733 -11.505 26.949 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 8.399 -12.386 27.121 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 8.955 -11.160 27.813 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 8.813 -18.430 29.400 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 8.997 -18.512 28.465 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 9.662 -18.554 29.824 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 8.411 -23.159 35.541 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 9.330 -23.281 35.777 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 7.961 -23.909 35.930 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.936 -21.848 29.501 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 8.428 -22.069 28.711 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 8.298 -21.007 29.782 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 15.269 -27.418 25.544 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 16.143 -27.030 25.514 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 15.133 -27.633 26.467 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 9.427 -11.599 22.432 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.742 -11.637 21.764 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 9.430 -10.686 22.720 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 11.387 -25.631 19.977 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 11.878 -26.261 19.449 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 12.010 -25.335 20.640 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 10.647 -26.831 35.248 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 10.281 -27.596 35.691 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 11.560 -26.802 35.535 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 12.620 -27.480 36.784 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 13.519 -27.754 36.599 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 12.234 -28.223 37.248 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 11.245 -10.679 19.457 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 10.977 -10.392 20.330 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 12.016 -11.225 19.609 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 10.418 -5.511 14.284 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 9.525 -5.172 14.217 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 10.319 -6.366 14.702 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 11.061 -8.372 9.581 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 10.832 -8.313 8.654 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 10.618 -9.164 9.888 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 15.746 -9.325 16.498 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 16.458 -9.965 16.484 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 15.645 -9.058 15.584 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 8.213 -7.996 13.044 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 7.548 -8.242 13.687 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 7.770 -7.374 12.467 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 10.689 -8.489 6.875 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 9.912 -8.723 6.367 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 11.220 -9.286 6.883 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 10.647 -7.975 16.392 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 10.281 -8.740 16.835 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 11.560 -7.946 16.679 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 12.620 -8.624 17.928 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 13.519 -8.898 17.743 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 12.234 -9.367 18.392 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 7.940 -5.621 26.231 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 8.571 -5.650 26.951 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 8.390 -6.046 25.501 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 9.215 -4.875 21.655 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 9.689 -4.284 21.070 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 8.497 -4.344 22.002 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 8.249 -6.734 23.556 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 7.324 -6.525 23.426 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 8.703 -6.250 22.866 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 10.689 -8.489 25.731 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 9.912 -8.723 25.223 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 11.220 -9.286 25.739 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 9.526 -8.691 21.534 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 9.965 -8.080 20.943 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 8.892 -8.153 22.008 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 11.387 -6.775 19.977 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 11.878 -7.405 19.449 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 12.010 -6.479 20.640 0.00 0.00 WAT1 END