REMARK FILENAME="/farm/data/gliu/projects/HR5537/cns/calc18mod1_hb1/refinedPD" 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:19-Jun-2009 21:43:55 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.702 -8.052 16.856 1.00 23.20 ATOM 2 CB MET 1 -0.349 -6.217 17.174 1.00 52.42 ATOM 3 HB1 MET 1 -1.166 -6.811 17.559 1.00 37.20 ATOM 4 HB2 MET 1 -0.564 -5.964 16.141 1.00 34.43 ATOM 5 CG MET 1 -0.268 -4.941 17.996 1.00 4.05 ATOM 6 HG1 MET 1 0.714 -4.506 17.895 1.00 37.20 ATOM 7 HG2 MET 1 -0.433 -5.197 19.033 1.00 44.10 ATOM 8 SD MET 1 -1.505 -3.722 17.513 1.00 70.13 ATOM 9 CE MET 1 -0.493 -2.251 17.369 1.00 72.24 ATOM 10 HE1 MET 1 0.270 -2.411 16.622 1.00 50.33 ATOM 11 HE2 MET 1 -0.027 -2.040 18.320 1.00 34.02 ATOM 12 HE3 MET 1 -1.112 -1.415 17.078 1.00 62.12 ATOM 13 C MET 1 1.999 -6.436 16.340 1.00 24.55 ATOM 14 O MET 1 1.987 -5.232 16.089 1.00 24.31 ATOM 15 N MET 1 1.394 -7.186 18.601 1.00 3.34 ATOM 16 HT1 MET 1 0.623 -7.511 19.224 1.00 37.20 ATOM 17 HT2 MET 1 1.758 -6.278 18.964 1.00 37.20 ATOM 18 HT3 MET 1 2.162 -7.887 18.647 1.00 37.20 ATOM 19 CA MET 1 0.926 -7.061 17.226 1.00 13.31 ATOM 20 N GLY 2 2.928 -7.264 15.870 1.00 33.33 ATOM 21 HN GLY 2 2.899 -8.220 16.107 1.00 37.20 ATOM 22 CA GLY 2 3.996 -6.775 15.018 1.00 14.54 ATOM 23 HA1 GLY 2 4.913 -6.785 15.588 1.00 37.20 ATOM 24 HA2 GLY 2 3.799 -5.754 14.710 1.00 34.32 ATOM 25 C GLY 2 4.194 -7.634 13.786 1.00 65.12 ATOM 26 O GLY 2 4.443 -8.836 13.891 1.00 14.33 ATOM 27 N HIS 3 4.084 -7.019 12.613 1.00 40.42 ATOM 28 HN HIS 3 3.888 -6.052 12.586 1.00 37.20 ATOM 29 CA HIS 3 4.253 -7.736 11.354 1.00 35.01 ATOM 30 HA HIS 3 4.075 -8.785 11.538 1.00 55.15 ATOM 31 CB HIS 3 3.255 -7.226 10.314 1.00 15.33 ATOM 32 HB1 HIS 3 3.656 -6.354 9.810 1.00 37.20 ATOM 33 HB2 HIS 3 2.337 -6.947 10.814 1.00 42.52 ATOM 34 CG HIS 3 2.900 -8.243 9.274 1.00 22.42 ATOM 35 ND1 HIS 3 2.786 -9.590 9.547 1.00 33.22 ATOM 36 HD1 HIS 3 2.905 -10.012 10.421 1.00 62.23 ATOM 37 CD2 HIS 3 2.633 -8.105 7.955 1.00 53.54 ATOM 38 HD2 HIS 3 2.631 -7.180 7.395 1.00 21.10 ATOM 39 CE1 HIS 3 2.465 -10.236 8.440 1.00 11.13 ATOM 40 HE1 HIS 3 2.309 -11.301 8.352 1.00 55.33 ATOM 41 NE2 HIS 3 2.365 -9.357 7.459 1.00 25.12 ATOM 42 HE2 HIS 3 2.042 -9.554 6.555 1.00 37.20 ATOM 43 C HIS 3 5.676 -7.583 10.828 1.00 64.01 ATOM 44 O HIS 3 6.187 -8.456 10.125 1.00 54.11 ATOM 45 N HIS 4 6.313 -6.468 11.172 1.00 11.12 ATOM 46 HN HIS 4 5.871 -5.805 11.743 1.00 37.20 ATOM 47 CA HIS 4 7.678 -6.201 10.734 1.00 2.42 ATOM 48 HA HIS 4 8.003 -6.989 10.066 1.00 10.42 ATOM 49 CB HIS 4 7.743 -4.874 9.976 1.00 33.25 ATOM 50 HB1 HIS 4 7.223 -4.988 9.035 1.00 37.20 ATOM 51 HB2 HIS 4 8.774 -4.613 9.774 1.00 51.14 ATOM 52 CG HIS 4 7.110 -3.733 10.712 1.00 44.11 ATOM 53 ND1 HIS 4 7.779 -2.983 11.656 1.00 23.34 ATOM 54 HD1 HIS 4 8.709 -3.114 11.937 1.00 2.32 ATOM 55 CD2 HIS 4 5.863 -3.213 10.636 1.00 71.21 ATOM 56 HD2 HIS 4 5.064 -3.555 9.993 1.00 3.05 ATOM 57 CE1 HIS 4 6.970 -2.053 12.131 1.00 61.02 ATOM 58 HE1 HIS 4 7.222 -1.320 12.883 1.00 30.52 ATOM 59 NE2 HIS 4 5.801 -2.171 11.527 1.00 10.35 ATOM 60 HE2 HIS 4 5.050 -1.549 11.624 1.00 37.20 ATOM 61 C HIS 4 8.634 -6.168 11.923 1.00 14.33 ATOM 62 O HIS 4 9.599 -5.403 11.936 1.00 13.14 ATOM 63 N HIS 5 8.358 -7.002 12.921 1.00 0.20 ATOM 64 HN HIS 5 7.575 -7.597 12.862 1.00 37.20 ATOM 65 CA HIS 5 9.193 -7.068 14.115 1.00 2.10 ATOM 66 HA HIS 5 10.207 -6.795 13.836 1.00 10.35 ATOM 67 CB HIS 5 8.687 -6.086 15.172 1.00 1.11 ATOM 68 HB1 HIS 5 7.788 -6.474 15.634 1.00 37.20 ATOM 69 HB2 HIS 5 8.456 -5.145 14.694 1.00 15.44 ATOM 70 CG HIS 5 9.683 -5.807 16.256 1.00 54.33 ATOM 71 ND1 HIS 5 9.710 -6.498 17.449 1.00 42.24 ATOM 72 HD1 HIS 5 9.100 -7.221 17.706 1.00 64.03 ATOM 73 CD2 HIS 5 10.691 -4.906 16.321 1.00 71.11 ATOM 74 HD2 HIS 5 10.964 -4.193 15.556 1.00 25.34 ATOM 75 CE1 HIS 5 10.691 -6.033 18.201 1.00 23.24 ATOM 76 HE1 HIS 5 10.951 -6.384 19.189 1.00 13.42 ATOM 77 NE2 HIS 5 11.302 -5.067 17.540 1.00 43.10 ATOM 78 HE2 HIS 5 12.005 -4.490 17.905 1.00 37.20 ATOM 79 C HIS 5 9.214 -8.483 14.686 1.00 13.51 ATOM 80 O HIS 5 8.184 -9.156 14.742 1.00 51.44 ATOM 81 N HIS 6 10.393 -8.928 15.109 1.00 54.02 ATOM 82 HN HIS 6 11.188 -8.352 15.044 1.00 37.20 ATOM 83 CA HIS 6 10.547 -10.263 15.676 1.00 70.15 ATOM 84 HA HIS 6 11.588 -10.383 15.942 1.00 63.11 ATOM 85 CB HIS 6 9.680 -10.413 16.926 1.00 54.23 ATOM 86 HB1 HIS 6 8.659 -10.644 16.652 1.00 37.20 ATOM 87 HB2 HIS 6 9.688 -9.478 17.470 1.00 71.40 ATOM 88 CG HIS 6 10.162 -11.474 17.866 1.00 4.11 ATOM 89 ND1 HIS 6 9.387 -12.546 18.253 1.00 34.03 ATOM 90 HD1 HIS 6 8.467 -12.721 17.964 1.00 52.51 ATOM 91 CD2 HIS 6 11.351 -11.624 18.496 1.00 31.41 ATOM 92 HD2 HIS 6 12.203 -10.963 18.422 1.00 71.24 ATOM 93 CE1 HIS 6 10.076 -13.309 19.082 1.00 23.12 ATOM 94 HE1 HIS 6 9.723 -14.218 19.546 1.00 53.30 ATOM 95 NE2 HIS 6 11.272 -12.772 19.246 1.00 71.22 ATOM 96 HE2 HIS 6 12.015 -13.186 19.734 1.00 37.20 ATOM 97 C HIS 6 10.176 -11.333 14.653 1.00 20.44 ATOM 98 O HIS 6 9.329 -12.188 14.914 1.00 31.31 ATOM 99 N HIS 7 10.815 -11.280 13.489 1.00 40.30 ATOM 100 HN HIS 7 11.495 -10.581 13.339 1.00 37.20 ATOM 101 CA HIS 7 10.552 -12.245 12.427 1.00 12.43 ATOM 102 HA HIS 7 9.585 -12.704 12.595 1.00 2.43 ATOM 103 CB HIS 7 10.518 -11.544 11.069 1.00 43.41 ATOM 104 HB1 HIS 7 9.889 -10.668 11.138 1.00 37.20 ATOM 105 HB2 HIS 7 10.105 -12.219 10.334 1.00 11.15 ATOM 106 CG HIS 7 11.868 -11.108 10.586 1.00 34.50 ATOM 107 ND1 HIS 7 12.385 -9.853 10.828 1.00 73.32 ATOM 108 HD1 HIS 7 11.938 -9.136 11.325 1.00 60.24 ATOM 109 CD2 HIS 7 12.809 -11.770 9.873 1.00 75.42 ATOM 110 HD2 HIS 7 12.741 -12.786 9.510 1.00 1.12 ATOM 111 CE1 HIS 7 13.585 -9.761 10.283 1.00 74.33 ATOM 112 HE1 HIS 7 14.228 -8.894 10.313 1.00 61.11 ATOM 113 NE2 HIS 7 13.866 -10.912 9.697 1.00 15.53 ATOM 114 HE2 HIS 7 14.731 -11.148 9.302 1.00 37.20 ATOM 115 C HIS 7 11.609 -13.345 12.419 1.00 34.12 ATOM 116 O HIS 7 12.609 -13.265 13.133 1.00 41.43 ATOM 117 N HIS 8 11.379 -14.373 11.608 1.00 24.12 ATOM 118 HN HIS 8 10.552 -14.389 11.069 1.00 37.20 ATOM 119 CA HIS 8 12.312 -15.490 11.508 1.00 72.25 ATOM 120 HA HIS 8 13.317 -15.085 11.520 1.00 74.34 ATOM 121 CB HIS 8 12.127 -16.444 12.688 1.00 71.31 ATOM 122 HB1 HIS 8 11.309 -17.126 12.491 1.00 37.20 ATOM 123 HB2 HIS 8 11.894 -15.868 13.573 1.00 43.34 ATOM 124 CG HIS 8 13.345 -17.259 12.996 1.00 4.34 ATOM 125 ND1 HIS 8 13.286 -18.562 13.442 1.00 23.21 ATOM 126 HD1 HIS 8 12.467 -19.076 13.600 1.00 34.35 ATOM 127 CD2 HIS 8 14.661 -16.948 12.920 1.00 74.15 ATOM 128 HD2 HIS 8 15.079 -16.002 12.605 1.00 5.43 ATOM 129 CE1 HIS 8 14.512 -19.018 13.628 1.00 44.33 ATOM 130 HE1 HIS 8 14.773 -20.007 13.974 1.00 61.43 ATOM 131 NE2 HIS 8 15.365 -18.058 13.317 1.00 10.23 ATOM 132 HE2 HIS 8 16.339 -18.160 13.274 1.00 37.20 ATOM 133 C HIS 8 12.118 -16.243 10.195 1.00 42.14 ATOM 134 O HIS 8 11.101 -16.082 9.520 1.00 62.30 ATOM 135 N SER 9 13.101 -17.064 9.838 1.00 11.12 ATOM 136 HN SER 9 13.901 -17.143 10.394 1.00 37.20 ATOM 137 CA SER 9 13.041 -17.838 8.604 1.00 54.22 ATOM 138 HA SER 9 12.170 -17.532 8.034 1.00 41.35 ATOM 139 CB SER 9 14.282 -17.573 7.750 1.00 52.45 ATOM 140 HB1 SER 9 14.169 -18.060 6.792 1.00 37.20 ATOM 141 HB2 SER 9 15.159 -17.963 8.250 1.00 44.23 ATOM 142 OG SER 9 14.466 -16.184 7.534 1.00 35.11 ATOM 143 HG SER 9 14.879 -15.789 8.306 1.00 52.10 ATOM 144 C SER 9 12.924 -19.329 8.903 1.00 63.31 ATOM 145 O SER 9 13.543 -19.837 9.839 1.00 44.23 ATOM 146 N HIS 10 12.126 -20.027 8.101 1.00 50.21 ATOM 147 HN HIS 10 11.660 -19.574 7.360 1.00 37.20 ATOM 148 CA HIS 10 11.928 -21.461 8.278 1.00 12.02 ATOM 149 HA HIS 10 12.398 -21.761 9.211 1.00 34.13 ATOM 150 CB HIS 10 10.436 -21.785 8.361 1.00 52.31 ATOM 151 HB1 HIS 10 10.027 -21.918 7.367 1.00 37.20 ATOM 152 HB2 HIS 10 9.923 -20.963 8.841 1.00 31.12 ATOM 153 CG HIS 10 10.134 -23.018 9.155 1.00 34.01 ATOM 154 ND1 HIS 10 9.925 -23.003 10.518 1.00 23.21 ATOM 155 HD1 HIS 10 9.952 -22.210 11.093 1.00 74.33 ATOM 156 CD2 HIS 10 10.003 -24.309 8.770 1.00 23.11 ATOM 157 HD2 HIS 10 10.101 -24.691 7.763 1.00 41.11 ATOM 158 CE1 HIS 10 9.682 -24.232 10.937 1.00 33.04 ATOM 159 HE1 HIS 10 9.482 -24.524 11.958 1.00 62.25 ATOM 160 NE2 HIS 10 9.723 -25.043 9.896 1.00 32.51 ATOM 161 HE2 HIS 10 9.487 -25.994 9.911 1.00 37.20 ATOM 162 C HIS 10 12.568 -22.243 7.135 1.00 34.32 ATOM 163 O HIS 10 12.309 -21.971 5.963 1.00 3.12 ATOM 164 N MET 11 13.404 -23.215 7.485 1.00 74.30 ATOM 165 HN MET 11 13.575 -23.385 8.442 1.00 37.20 ATOM 166 CA MET 11 14.080 -24.037 6.488 1.00 53.03 ATOM 167 HA MET 11 14.765 -23.402 5.943 1.00 1.11 ATOM 168 CB MET 11 14.875 -25.153 7.169 1.00 53.41 ATOM 169 HB1 MET 11 15.476 -24.712 7.953 1.00 37.20 ATOM 170 HB2 MET 11 15.528 -25.609 6.439 1.00 61.24 ATOM 171 CG MET 11 14.001 -26.240 7.773 1.00 11.32 ATOM 172 HG1 MET 11 13.589 -26.839 6.974 1.00 37.20 ATOM 173 HG2 MET 11 13.193 -25.781 8.327 1.00 75.35 ATOM 174 SD MET 11 14.915 -27.330 8.881 1.00 12.43 ATOM 175 CE MET 11 14.837 -26.400 10.410 1.00 20.25 ATOM 176 HE1 MET 11 15.304 -25.436 10.270 1.00 45.21 ATOM 177 HE2 MET 11 15.355 -26.941 11.188 1.00 13.11 ATOM 178 HE3 MET 11 13.804 -26.261 10.695 1.00 22.30 ATOM 179 C MET 11 13.077 -24.637 5.507 1.00 10.03 ATOM 180 O MET 11 11.883 -24.715 5.796 1.00 42.32 ATOM 181 N ALA 12 13.570 -25.059 4.348 1.00 61.43 ATOM 182 HN ALA 12 14.534 -24.956 4.165 1.00 37.20 ATOM 183 CA ALA 12 12.717 -25.654 3.326 1.00 42.30 ATOM 184 HA ALA 12 11.866 -26.124 3.807 1.00 21.01 ATOM 185 CB ALA 12 12.188 -24.578 2.389 1.00 63.01 ATOM 186 HB1 ALA 12 11.660 -23.831 2.964 1.00 54.21 ATOM 187 HB2 ALA 12 11.511 -25.020 1.671 1.00 71.32 ATOM 188 HB3 ALA 12 13.012 -24.111 1.868 1.00 51.21 ATOM 189 C ALA 12 13.467 -26.722 2.538 1.00 24.20 ATOM 190 O ALA 12 14.696 -26.779 2.566 1.00 50.13 ATOM 191 N ASN 13 12.720 -27.568 1.837 1.00 74.13 ATOM 192 HN ASN 13 11.738 -27.466 1.839 1.00 37.20 ATOM 193 CA ASN 13 13.315 -28.636 1.042 1.00 72.12 ATOM 194 HA ASN 13 14.293 -28.873 1.443 1.00 0.13 ATOM 195 CB ASN 13 12.450 -29.896 1.114 1.00 22.40 ATOM 196 HB1 ASN 13 13.040 -30.742 0.794 1.00 37.20 ATOM 197 HB2 ASN 13 11.599 -29.790 0.451 1.00 44.42 ATOM 198 CG ASN 13 11.946 -30.172 2.517 1.00 22.15 ATOM 199 OD1 ASN 13 12.731 -30.298 3.457 1.00 22.04 ATOM 200 ND2 ASN 13 10.630 -30.267 2.665 1.00 31.41 ATOM 201 HD21 ASN 13 10.047 -30.158 1.880 1.00 64.15 ATOM 202 HD22 ASN 13 10.286 -30.445 3.565 1.00 52.51 ATOM 203 C ASN 13 13.483 -28.204 -0.412 1.00 13.34 ATOM 204 O ASN 13 13.041 -27.125 -0.804 1.00 53.23 ATOM 205 N GLY 14 14.125 -29.055 -1.206 1.00 52.43 ATOM 206 HN GLY 14 14.461 -29.907 -0.847 1.00 37.20 ATOM 207 CA GLY 14 14.339 -28.743 -2.607 1.00 65.34 ATOM 208 HA1 GLY 14 13.424 -28.356 -3.038 1.00 37.20 ATOM 209 HA2 GLY 14 14.606 -29.653 -3.124 1.00 1.34 ATOM 210 C GLY 14 15.447 -27.728 -2.813 1.00 34.52 ATOM 211 O GLY 14 15.202 -26.622 -3.293 1.00 2.02 ATOM 212 N ALA 15 16.668 -28.105 -2.447 1.00 55.10 ATOM 213 HN ALA 15 16.806 -29.012 -2.081 1.00 37.20 ATOM 214 CA ALA 15 17.816 -27.220 -2.594 1.00 41.51 ATOM 215 HA ALA 15 17.478 -26.194 -2.473 1.00 52.25 ATOM 216 CB ALA 15 18.834 -27.489 -1.496 1.00 1.21 ATOM 217 HB1 ALA 15 19.211 -28.498 -1.588 1.00 43.52 ATOM 218 HB2 ALA 15 18.360 -27.372 -0.533 1.00 55.04 ATOM 219 HB3 ALA 15 19.653 -26.788 -1.579 1.00 33.50 ATOM 220 C ALA 15 18.461 -27.380 -3.967 1.00 32.13 ATOM 221 O ALA 15 18.933 -28.461 -4.319 1.00 13.25 ATOM 222 N ALA 16 18.476 -26.298 -4.738 1.00 64.12 ATOM 223 HN ALA 16 18.070 -25.460 -4.413 1.00 37.20 ATOM 224 CA ALA 16 19.064 -26.319 -6.072 1.00 24.22 ATOM 225 HA ALA 16 19.748 -27.156 -6.148 1.00 41.20 ATOM 226 CB ALA 16 17.981 -26.508 -7.123 1.00 50.33 ATOM 227 HB1 ALA 16 17.411 -27.396 -6.892 1.00 5.21 ATOM 228 HB2 ALA 16 18.432 -26.619 -8.098 1.00 60.44 ATOM 229 HB3 ALA 16 17.321 -25.651 -7.126 1.00 52.10 ATOM 230 C ALA 16 19.853 -25.043 -6.345 1.00 14.45 ATOM 231 O ALA 16 19.919 -24.150 -5.501 1.00 13.05 ATOM 232 N GLY 17 20.450 -24.963 -7.530 1.00 22.13 ATOM 233 HN GLY 17 20.383 -25.706 -8.170 1.00 37.20 ATOM 234 CA GLY 17 21.227 -23.792 -7.892 1.00 10.03 ATOM 235 HA1 GLY 17 22.006 -24.098 -8.575 1.00 37.20 ATOM 236 HA2 GLY 17 21.693 -23.366 -7.011 1.00 51.43 ATOM 237 C GLY 17 20.388 -22.726 -8.568 1.00 12.13 ATOM 238 O GLY 17 20.675 -22.320 -9.695 1.00 34.43 ATOM 239 N THR 18 19.345 -22.271 -7.879 1.00 45.55 ATOM 240 HN THR 18 19.156 -22.633 -6.992 1.00 37.20 ATOM 241 CA THR 18 18.460 -21.247 -8.421 1.00 70.50 ATOM 242 HA THR 18 18.875 -20.872 -9.351 1.00 40.11 ATOM 243 CB THR 18 17.059 -21.816 -8.717 1.00 64.21 ATOM 244 HB THR 18 16.566 -22.048 -7.781 1.00 34.24 ATOM 245 OG1 THR 18 17.171 -23.019 -9.487 1.00 5.45 ATOM 246 HG1 THR 18 17.382 -23.755 -8.907 1.00 14.12 ATOM 247 CG2 THR 18 16.212 -20.803 -9.471 1.00 41.43 ATOM 248 HG21 THR 18 16.738 -20.471 -10.356 1.00 4.40 ATOM 249 HG22 THR 18 16.002 -19.955 -8.836 1.00 42.22 ATOM 250 HG23 THR 18 15.281 -21.266 -9.764 1.00 1.30 ATOM 251 C THR 18 18.326 -20.072 -7.460 1.00 51.32 ATOM 252 O THR 18 18.321 -18.913 -7.877 1.00 22.11 ATOM 253 N LYS 19 18.218 -20.376 -6.171 1.00 75.24 ATOM 254 HN LYS 19 18.189 -21.318 -5.893 1.00 37.20 ATOM 255 CA LYS 19 18.085 -19.345 -5.149 1.00 43.45 ATOM 256 HA LYS 19 17.129 -18.860 -5.287 1.00 32.24 ATOM 257 CB LYS 19 18.127 -19.972 -3.754 1.00 43.31 ATOM 258 HB1 LYS 19 17.365 -20.739 -3.707 1.00 37.20 ATOM 259 HB2 LYS 19 17.901 -19.209 -3.022 1.00 75.50 ATOM 260 CG LYS 19 19.471 -20.586 -3.404 1.00 5.15 ATOM 261 HG1 LYS 19 20.117 -19.818 -3.000 1.00 37.20 ATOM 262 HG2 LYS 19 19.920 -20.999 -4.297 1.00 2.21 ATOM 263 CD LYS 19 19.324 -21.711 -2.393 1.00 11.23 ATOM 264 HD1 LYS 19 20.228 -22.303 -2.404 1.00 37.20 ATOM 265 HD2 LYS 19 18.484 -22.338 -2.663 1.00 0.21 ATOM 266 CE LYS 19 19.112 -21.172 -0.986 1.00 72.13 ATOM 267 HE1 LYS 19 18.424 -20.336 -1.019 1.00 37.20 ATOM 268 HE2 LYS 19 20.061 -20.839 -0.596 1.00 42.22 ATOM 269 NZ LYS 19 18.554 -22.208 -0.074 1.00 22.34 ATOM 270 HZ1 LYS 19 19.203 -23.020 -0.007 1.00 14.41 ATOM 271 HZ2 LYS 19 17.633 -22.543 -0.426 1.00 14.44 ATOM 272 HZ3 LYS 19 18.421 -21.808 0.877 1.00 52.31 ATOM 273 C LYS 19 19.190 -18.302 -5.283 1.00 43.40 ATOM 274 O LYS 19 18.974 -17.117 -5.027 1.00 72.01 ATOM 275 N VAL 20 20.375 -18.749 -5.687 1.00 30.42 ATOM 276 HN VAL 20 20.505 -19.705 -5.876 1.00 37.20 ATOM 277 CA VAL 20 21.513 -17.854 -5.857 1.00 62.30 ATOM 278 HA VAL 20 21.376 -16.989 -5.214 1.00 2.33 ATOM 279 CB VAL 20 22.832 -18.541 -5.455 1.00 1.54 ATOM 280 HB VAL 20 23.090 -19.277 -6.208 1.00 40.31 ATOM 281 CG1 VAL 20 23.961 -17.524 -5.379 1.00 65.50 ATOM 282 HG11 VAL 20 23.747 -16.654 -5.981 1.00 72.15 ATOM 283 HG12 VAL 20 24.870 -17.981 -5.739 1.00 41.53 ATOM 284 HG13 VAL 20 24.111 -17.207 -4.353 1.00 33.41 ATOM 285 CG2 VAL 20 22.670 -19.269 -4.129 1.00 61.52 ATOM 286 HG21 VAL 20 21.992 -20.097 -4.256 1.00 11.12 ATOM 287 HG22 VAL 20 22.279 -18.592 -3.382 1.00 54.22 ATOM 288 HG23 VAL 20 23.630 -19.648 -3.800 1.00 41.00 ATOM 289 C VAL 20 21.623 -17.373 -7.299 1.00 71.04 ATOM 290 O VAL 20 22.644 -17.574 -7.956 1.00 23.44 ATOM 291 N ALA 21 20.564 -16.735 -7.787 1.00 34.41 ATOM 292 HN ALA 21 19.784 -16.576 -7.208 1.00 37.20 ATOM 293 CA ALA 21 20.542 -16.223 -9.151 1.00 53.32 ATOM 294 HA ALA 21 20.974 -16.970 -9.808 1.00 14.13 ATOM 295 CB ALA 21 19.108 -15.983 -9.602 1.00 23.30 ATOM 296 HB1 ALA 21 18.547 -16.902 -9.513 1.00 33.12 ATOM 297 HB2 ALA 21 19.100 -15.658 -10.633 1.00 21.23 ATOM 298 HB3 ALA 21 18.653 -15.224 -8.981 1.00 53.34 ATOM 299 C ALA 21 21.356 -14.939 -9.268 1.00 65.14 ATOM 300 O ALA 21 21.785 -14.561 -10.360 1.00 12.13 ATOM 301 N LEU 22 21.567 -14.272 -8.139 1.00 32.20 ATOM 302 HN LEU 22 21.205 -14.611 -7.289 1.00 37.20 ATOM 303 CA LEU 22 22.330 -13.029 -8.115 1.00 64.40 ATOM 304 HA LEU 22 22.270 -12.560 -9.089 1.00 1.40 ATOM 305 CB LEU 22 21.750 -12.071 -7.074 1.00 15.10 ATOM 306 HB1 LEU 22 22.483 -11.305 -6.844 1.00 37.20 ATOM 307 HB2 LEU 22 21.572 -12.641 -6.171 1.00 62.13 ATOM 308 CG LEU 22 20.450 -11.365 -7.463 1.00 1.12 ATOM 309 HG LEU 22 19.756 -12.092 -7.860 1.00 63.33 ATOM 310 CD1 LEU 22 19.806 -10.723 -6.244 1.00 33.43 ATOM 311 HD11 LEU 22 18.878 -10.249 -6.532 1.00 22.20 ATOM 312 HD12 LEU 22 20.473 -9.981 -5.826 1.00 13.44 ATOM 313 HD13 LEU 22 19.602 -11.481 -5.501 1.00 42.12 ATOM 314 CD2 LEU 22 20.711 -10.323 -8.541 1.00 3.13 ATOM 315 HD21 LEU 22 21.114 -10.802 -9.421 1.00 1.00 ATOM 316 HD22 LEU 22 21.417 -9.589 -8.177 1.00 15.13 ATOM 317 HD23 LEU 22 19.784 -9.829 -8.800 1.00 3.23 ATOM 318 C LEU 22 23.800 -13.299 -7.810 1.00 64.33 ATOM 319 O LEU 22 24.430 -12.569 -7.044 1.00 71.34 ATOM 320 N ARG 23 24.342 -14.351 -8.416 1.00 54.15 ATOM 321 HN ARG 23 23.820 -14.875 -9.054 1.00 37.20 ATOM 322 CA ARG 23 25.738 -14.716 -8.211 1.00 31.33 ATOM 323 HA ARG 23 26.071 -14.322 -7.258 1.00 61.14 ATOM 324 CB ARG 23 25.889 -16.238 -8.178 1.00 65.34 ATOM 325 HB1 ARG 23 25.149 -16.641 -7.522 1.00 37.20 ATOM 326 HB2 ARG 23 26.869 -16.481 -7.794 1.00 50.15 ATOM 327 CG ARG 23 25.728 -16.895 -9.539 1.00 71.44 ATOM 328 HG1 ARG 23 26.490 -16.540 -10.211 1.00 37.20 ATOM 329 HG2 ARG 23 24.757 -16.647 -9.939 1.00 41.20 ATOM 330 CD ARG 23 25.856 -18.408 -9.446 1.00 44.25 ATOM 331 HD1 ARG 23 26.512 -18.675 -8.626 1.00 37.20 ATOM 332 HD2 ARG 23 26.289 -18.760 -10.372 1.00 54.11 ATOM 333 NE ARG 23 24.562 -19.056 -9.254 1.00 20.20 ATOM 334 HE ARG 23 23.787 -18.485 -9.047 1.00 33.15 ATOM 335 CZ ARG 23 24.377 -20.369 -9.342 1.00 3.22 ATOM 336 NH1 ARG 23 25.398 -21.168 -9.617 1.00 64.32 ATOM 337 HH11 ARG 23 26.318 -20.809 -9.761 1.00 1.05 ATOM 338 HH12 ARG 23 25.248 -22.157 -9.683 1.00 32.54 ATOM 339 NH2 ARG 23 23.169 -20.884 -9.154 1.00 21.05 ATOM 340 HH21 ARG 23 22.393 -20.285 -8.945 1.00 31.45 ATOM 341 HH22 ARG 23 23.027 -21.874 -9.220 1.00 0.40 ATOM 342 C ARG 23 26.621 -14.130 -9.308 1.00 51.32 ATOM 343 O ARG 23 27.694 -14.656 -9.605 1.00 54.00 ATOM 344 N LYS 24 26.162 -13.037 -9.908 1.00 41.34 ATOM 345 HN LYS 24 25.314 -12.645 -9.635 1.00 37.20 ATOM 346 CA LYS 24 26.909 -12.377 -10.973 1.00 10.13 ATOM 347 HA LYS 24 27.053 -13.092 -11.774 1.00 61.43 ATOM 348 CB LYS 24 26.128 -11.171 -11.500 1.00 60.00 ATOM 349 HB1 LYS 24 26.819 -10.398 -11.823 1.00 37.20 ATOM 350 HB2 LYS 24 25.523 -10.767 -10.699 1.00 45.44 ATOM 351 CG LYS 24 25.203 -11.504 -12.658 1.00 22.42 ATOM 352 HG1 LYS 24 24.341 -10.855 -12.605 1.00 37.20 ATOM 353 HG2 LYS 24 24.879 -12.532 -12.570 1.00 54.35 ATOM 354 CD LYS 24 25.889 -11.295 -13.997 1.00 61.45 ATOM 355 HD1 LYS 24 26.848 -11.797 -13.991 1.00 37.20 ATOM 356 HD2 LYS 24 26.036 -10.237 -14.154 1.00 54.52 ATOM 357 CE LYS 24 25.056 -11.850 -15.143 1.00 20.32 ATOM 358 HE1 LYS 24 25.558 -11.628 -16.073 1.00 37.20 ATOM 359 HE2 LYS 24 24.086 -11.373 -15.138 1.00 34.44 ATOM 360 NZ LYS 24 24.874 -13.324 -15.033 1.00 34.13 ATOM 361 HZ1 LYS 24 25.786 -13.797 -14.857 1.00 32.13 ATOM 362 HZ2 LYS 24 24.476 -13.696 -15.919 1.00 73.12 ATOM 363 HZ3 LYS 24 24.220 -13.551 -14.259 1.00 12.23 ATOM 364 C LYS 24 28.281 -11.930 -10.478 1.00 62.53 ATOM 365 O LYS 24 29.286 -12.095 -11.171 1.00 3.41 ATOM 366 N THR 25 28.317 -11.366 -9.275 1.00 61.11 ATOM 367 HN THR 25 27.479 -11.248 -8.768 1.00 37.20 ATOM 368 CA THR 25 29.566 -10.897 -8.688 1.00 53.40 ATOM 369 HA THR 25 29.964 -10.116 -9.322 1.00 1.32 ATOM 370 CB THR 25 29.339 -10.306 -7.284 1.00 10.04 ATOM 371 HB THR 25 28.541 -9.579 -7.341 1.00 43.02 ATOM 372 OG1 THR 25 30.532 -9.659 -6.826 1.00 55.30 ATOM 373 HG1 THR 25 30.307 -8.986 -6.178 1.00 15.30 ATOM 374 CG2 THR 25 28.936 -11.392 -6.298 1.00 74.53 ATOM 375 HG21 THR 25 28.463 -10.934 -5.442 1.00 30.03 ATOM 376 HG22 THR 25 29.810 -11.924 -5.971 1.00 54.12 ATOM 377 HG23 THR 25 28.242 -12.082 -6.760 1.00 24.42 ATOM 378 C THR 25 30.587 -12.024 -8.594 1.00 22.22 ATOM 379 O THR 25 30.291 -13.173 -8.922 1.00 22.40 ATOM 380 N LYS 26 31.791 -11.689 -8.143 1.00 23.31 ATOM 381 HN LYS 26 31.958 -10.755 -7.871 1.00 37.20 ATOM 382 CA LYS 26 32.858 -12.674 -8.003 1.00 54.20 ATOM 383 HA LYS 26 32.890 -13.275 -8.903 1.00 1.22 ATOM 384 CB LYS 26 34.208 -11.973 -7.837 1.00 20.31 ATOM 385 HB1 LYS 26 34.972 -12.709 -7.997 1.00 37.20 ATOM 386 HB2 LYS 26 34.295 -11.579 -6.832 1.00 51.13 ATOM 387 CG LYS 26 34.424 -10.830 -8.813 1.00 43.10 ATOM 388 HG1 LYS 26 34.034 -9.922 -8.376 1.00 37.20 ATOM 389 HG2 LYS 26 33.897 -11.042 -9.737 1.00 14.33 ATOM 390 CD LYS 26 35.899 -10.633 -9.123 1.00 53.31 ATOM 391 HD1 LYS 26 36.322 -11.571 -9.422 1.00 37.20 ATOM 392 HD2 LYS 26 36.405 -10.266 -8.245 1.00 54.03 ATOM 393 CE LYS 26 36.101 -9.647 -10.263 1.00 44.42 ATOM 394 HE1 LYS 26 35.509 -9.958 -11.114 1.00 37.20 ATOM 395 HE2 LYS 26 37.146 -9.648 -10.537 1.00 43.43 ATOM 396 NZ LYS 26 35.709 -8.263 -9.877 1.00 32.15 ATOM 397 HZ1 LYS 26 35.896 -7.610 -10.665 1.00 55.53 ATOM 398 HZ2 LYS 26 36.255 -7.948 -9.049 1.00 42.30 ATOM 399 HZ3 LYS 26 34.695 -8.224 -9.646 1.00 60.02 ATOM 400 C LYS 26 32.599 -13.591 -6.812 1.00 13.21 ATOM 401 O LYS 26 31.557 -13.500 -6.163 1.00 71.21 ATOM 402 N GLN 27 33.554 -14.471 -6.530 1.00 33.20 ATOM 403 HN GLN 27 34.354 -14.518 -7.096 1.00 37.20 ATOM 404 CA GLN 27 33.428 -15.403 -5.416 1.00 32.41 ATOM 405 HA GLN 27 32.611 -15.090 -4.777 1.00 52.51 ATOM 406 CB GLN 27 33.127 -16.811 -5.933 1.00 64.31 ATOM 407 HB1 GLN 27 32.107 -16.827 -6.293 1.00 37.20 ATOM 408 HB2 GLN 27 33.220 -17.524 -5.123 1.00 65.23 ATOM 409 CG GLN 27 34.039 -17.250 -7.068 1.00 55.11 ATOM 410 HG1 GLN 27 35.034 -17.384 -6.682 1.00 37.20 ATOM 411 HG2 GLN 27 34.051 -16.499 -7.842 1.00 70.04 ATOM 412 CD GLN 27 33.609 -18.566 -7.686 1.00 23.13 ATOM 413 OE1 GLN 27 33.977 -19.639 -7.206 1.00 71.24 ATOM 414 NE2 GLN 27 32.827 -18.491 -8.756 1.00 15.12 ATOM 415 HE21 GLN 27 32.564 -17.606 -9.097 1.00 33.42 ATOM 416 HE22 GLN 27 32.539 -19.331 -9.169 1.00 11.05 ATOM 417 C GLN 27 34.699 -15.419 -4.573 1.00 33.00 ATOM 418 O GLN 27 34.644 -15.316 -3.348 1.00 12.50 ATOM 419 N ALA 28 35.842 -15.549 -5.238 1.00 22.44 ATOM 420 HN ALA 28 35.839 -15.584 -6.216 1.00 37.20 ATOM 421 CA ALA 28 37.127 -15.577 -4.550 1.00 12.15 ATOM 422 HA ALA 28 37.206 -14.678 -3.949 1.00 51.34 ATOM 423 CB ALA 28 37.199 -16.775 -3.614 1.00 50.30 ATOM 424 HB1 ALA 28 38.179 -16.823 -3.156 1.00 32.53 ATOM 425 HB2 ALA 28 37.022 -17.680 -4.175 1.00 44.50 ATOM 426 HB3 ALA 28 36.454 -16.684 -2.841 1.00 50.31 ATOM 427 C ALA 28 38.282 -15.610 -5.544 1.00 71.05 ATOM 428 O ALA 28 38.175 -16.208 -6.615 1.00 14.32 ATOM 429 N ALA 29 39.386 -14.963 -5.184 1.00 72.53 ATOM 430 HN ALA 29 39.409 -14.497 -4.313 1.00 37.20 ATOM 431 CA ALA 29 40.561 -14.920 -6.045 1.00 62.43 ATOM 432 HA ALA 29 40.316 -14.336 -6.914 1.00 2.24 ATOM 433 CB ALA 29 41.715 -14.234 -5.329 1.00 52.34 ATOM 434 HB1 ALA 29 42.563 -14.157 -5.996 1.00 22.02 ATOM 435 HB2 ALA 29 41.994 -14.807 -4.456 1.00 1.45 ATOM 436 HB3 ALA 29 41.408 -13.244 -5.024 1.00 61.43 ATOM 437 C ALA 29 40.969 -16.322 -6.487 1.00 44.45 ATOM 438 O ALA 29 41.523 -16.503 -7.571 1.00 45.11 ATOM 439 N GLU 30 40.692 -17.309 -5.641 1.00 44.50 ATOM 440 HN GLU 30 40.299 -17.108 -4.762 1.00 37.20 ATOM 441 CA GLU 30 41.033 -18.693 -5.946 1.00 21.35 ATOM 442 HA GLU 30 42.109 -18.760 -6.045 1.00 33.13 ATOM 443 CB GLU 30 40.575 -19.615 -4.814 1.00 21.34 ATOM 444 HB1 GLU 30 40.570 -20.643 -5.161 1.00 37.20 ATOM 445 HB2 GLU 30 39.567 -19.342 -4.535 1.00 24.31 ATOM 446 CG GLU 30 41.444 -19.530 -3.570 1.00 31.20 ATOM 447 HG1 GLU 30 40.865 -19.874 -2.725 1.00 37.20 ATOM 448 HG2 GLU 30 41.736 -18.501 -3.403 1.00 62.32 ATOM 449 CD GLU 30 42.694 -20.383 -3.672 1.00 52.31 ATOM 450 OE1 GLU 30 42.570 -21.576 -4.019 1.00 64.13 ATOM 451 OE2 GLU 30 43.795 -19.857 -3.405 1.00 35.31 ATOM 452 C GLU 30 40.399 -19.133 -7.262 1.00 41.42 ATOM 453 O GLU 30 40.936 -19.986 -7.969 1.00 41.33 ATOM 454 N LYS 31 39.252 -18.544 -7.585 1.00 65.22 ATOM 455 HN LYS 31 38.838 -17.901 -6.971 1.00 37.20 ATOM 456 CA LYS 31 38.544 -18.873 -8.816 1.00 54.54 ATOM 457 HA LYS 31 38.979 -19.767 -9.239 1.00 3.11 ATOM 458 CB LYS 31 37.062 -19.120 -8.525 1.00 53.15 ATOM 459 HB1 LYS 31 36.535 -18.174 -8.501 1.00 37.20 ATOM 460 HB2 LYS 31 36.969 -19.580 -7.554 1.00 15.32 ATOM 461 CG LYS 31 36.381 -20.011 -9.550 1.00 22.10 ATOM 462 HG1 LYS 31 36.611 -19.642 -10.541 1.00 37.20 ATOM 463 HG2 LYS 31 35.311 -19.964 -9.399 1.00 3.15 ATOM 464 CD LYS 31 36.858 -21.450 -9.442 1.00 44.32 ATOM 465 HD1 LYS 31 37.896 -21.490 -9.146 1.00 37.20 ATOM 466 HD2 LYS 31 36.753 -21.914 -10.411 1.00 55.22 ATOM 467 CE LYS 31 36.026 -22.240 -8.444 1.00 51.21 ATOM 468 HE1 LYS 31 36.057 -23.282 -8.727 1.00 37.20 ATOM 469 HE2 LYS 31 34.998 -21.901 -8.466 1.00 35.53 ATOM 470 NZ LYS 31 36.552 -22.110 -7.057 1.00 63.12 ATOM 471 HZ1 LYS 31 36.224 -22.913 -6.482 1.00 62.13 ATOM 472 HZ2 LYS 31 36.203 -21.235 -6.622 1.00 71.33 ATOM 473 HZ3 LYS 31 37.595 -22.101 -7.048 1.00 32.22 ATOM 474 C LYS 31 38.691 -17.755 -9.844 1.00 2.22 ATOM 475 O LYS 31 38.884 -18.013 -11.032 1.00 74.33 ATOM 476 N ILE 32 38.601 -16.514 -9.378 1.00 43.31 ATOM 477 HN ILE 32 38.460 -16.372 -8.418 1.00 37.20 ATOM 478 CA ILE 32 38.728 -15.358 -10.257 1.00 14.42 ATOM 479 HA ILE 32 37.865 -15.348 -10.913 1.00 35.14 ATOM 480 CB ILE 32 38.745 -14.042 -9.457 1.00 3.32 ATOM 481 HB ILE 32 39.598 -14.062 -8.800 1.00 30.14 ATOM 482 CG1 ILE 32 37.465 -13.905 -8.630 1.00 24.05 ATOM 483 HG11 ILE 32 37.182 -14.850 -8.208 1.00 37.20 ATOM 484 HG12 ILE 32 36.659 -13.571 -9.264 1.00 22.41 ATOM 485 CG2 ILE 32 38.906 -12.854 -10.394 1.00 60.10 ATOM 486 HG21 ILE 32 38.127 -12.871 -11.143 1.00 61.52 ATOM 487 HG22 ILE 32 39.859 -12.891 -10.870 1.00 61.21 ATOM 488 HG23 ILE 32 38.833 -11.934 -9.830 1.00 21.12 ATOM 489 CD1 ILE 32 37.588 -12.926 -7.483 1.00 45.33 ATOM 490 HD11 ILE 32 38.392 -13.235 -6.836 1.00 24.42 ATOM 491 HD12 ILE 32 36.671 -12.900 -6.919 1.00 14.02 ATOM 492 HD13 ILE 32 37.808 -11.945 -7.866 1.00 13.34 ATOM 493 C ILE 32 39.995 -15.444 -11.100 1.00 42.11 ATOM 494 O ILE 32 41.037 -15.899 -10.628 1.00 42.32 ATOM 495 N SER 33 39.899 -15.002 -12.350 1.00 60.41 ATOM 496 HN SER 33 39.042 -14.630 -12.669 1.00 37.20 ATOM 497 CA SER 33 41.038 -15.031 -13.261 1.00 35.33 ATOM 498 HA SER 33 41.695 -15.845 -12.976 1.00 10.20 ATOM 499 CB SER 33 40.564 -15.276 -14.695 1.00 4.30 ATOM 500 HB1 SER 33 39.805 -16.045 -14.699 1.00 37.20 ATOM 501 HB2 SER 33 41.401 -15.596 -15.298 1.00 20.40 ATOM 502 OG SER 33 40.022 -14.095 -15.261 1.00 64.13 ATOM 503 HG SER 33 39.724 -14.276 -16.156 1.00 14.31 ATOM 504 C SER 33 41.825 -13.726 -13.188 1.00 75.32 ATOM 505 O SER 33 43.053 -13.725 -13.255 1.00 63.24 ATOM 506 N ALA 34 41.106 -12.617 -13.051 1.00 4.54 ATOM 507 HN ALA 34 40.122 -12.673 -13.034 1.00 37.20 ATOM 508 CA ALA 34 41.736 -11.305 -12.967 1.00 1.42 ATOM 509 HA ALA 34 42.182 -11.086 -13.927 1.00 33.43 ATOM 510 CB ALA 34 40.693 -10.236 -12.676 1.00 53.04 ATOM 511 HB1 ALA 34 40.241 -10.421 -11.712 1.00 43.23 ATOM 512 HB2 ALA 34 39.930 -10.264 -13.440 1.00 20.55 ATOM 513 HB3 ALA 34 41.161 -9.261 -12.674 1.00 70.23 ATOM 514 C ALA 34 42.826 -11.286 -11.901 1.00 1.05 ATOM 515 O ALA 34 43.903 -10.726 -12.110 1.00 34.45 ATOM 516 N ASP 35 42.540 -11.900 -10.758 1.00 31.11 ATOM 517 HN ASP 35 41.669 -12.327 -10.644 1.00 37.20 ATOM 518 CA ASP 35 43.496 -11.954 -9.658 1.00 64.25 ATOM 519 HA ASP 35 43.880 -10.953 -9.491 1.00 31.14 ATOM 520 CB ASP 35 42.813 -12.450 -8.383 1.00 73.13 ATOM 521 HB1 ASP 35 43.552 -12.858 -7.704 1.00 37.20 ATOM 522 HB2 ASP 35 42.102 -13.224 -8.634 1.00 51.05 ATOM 523 CG ASP 35 42.076 -11.344 -7.654 1.00 74.11 ATOM 524 OD1 ASP 35 40.848 -11.221 -7.848 1.00 12.14 ATOM 525 OD2 ASP 35 42.726 -10.602 -6.889 1.00 63.21 ATOM 526 C ASP 35 44.673 -12.862 -10.006 1.00 15.43 ATOM 527 O ASP 35 45.788 -12.662 -9.525 1.00 3.30 ATOM 528 N LYS 36 44.415 -13.861 -10.843 1.00 2.21 ATOM 529 HN LYS 36 43.502 -13.999 -11.167 1.00 37.20 ATOM 530 CA LYS 36 45.451 -14.800 -11.256 1.00 4.14 ATOM 531 HA LYS 36 45.963 -15.154 -10.370 1.00 13.54 ATOM 532 CB LYS 36 44.826 -15.999 -11.971 1.00 32.51 ATOM 533 HB1 LYS 36 44.223 -15.650 -12.789 1.00 37.20 ATOM 534 HB2 LYS 36 44.185 -16.513 -11.268 1.00 3.04 ATOM 535 CG LYS 36 45.846 -17.000 -12.487 1.00 13.14 ATOM 536 HG1 LYS 36 45.426 -17.991 -12.376 1.00 37.20 ATOM 537 HG2 LYS 36 46.756 -16.932 -11.903 1.00 53.54 ATOM 538 CD LYS 36 46.180 -16.753 -13.948 1.00 53.52 ATOM 539 HD1 LYS 36 47.032 -16.096 -14.008 1.00 37.20 ATOM 540 HD2 LYS 36 45.339 -16.298 -14.455 1.00 4.33 ATOM 541 CE LYS 36 46.521 -18.048 -14.669 1.00 12.21 ATOM 542 HE1 LYS 36 46.706 -17.825 -15.710 1.00 37.20 ATOM 543 HE2 LYS 36 45.683 -18.727 -14.592 1.00 73.45 ATOM 544 NZ LYS 36 47.729 -18.701 -14.093 1.00 35.50 ATOM 545 HZ1 LYS 36 48.535 -18.041 -14.091 1.00 53.11 ATOM 546 HZ2 LYS 36 47.985 -19.533 -14.662 1.00 2.33 ATOM 547 HZ3 LYS 36 47.545 -19.012 -13.118 1.00 32.54 ATOM 548 C LYS 36 46.467 -14.122 -12.170 1.00 20.40 ATOM 549 O LYS 36 47.619 -14.549 -12.258 1.00 33.24 ATOM 550 N ILE 37 46.033 -13.065 -12.847 1.00 43.24 ATOM 551 HN ILE 37 45.112 -12.760 -12.720 1.00 37.20 ATOM 552 CA ILE 37 46.906 -12.328 -13.752 1.00 41.55 ATOM 553 HA ILE 37 47.241 -13.014 -14.519 1.00 22.03 ATOM 554 CB ILE 37 46.162 -11.158 -14.424 1.00 71.43 ATOM 555 HB ILE 37 45.916 -10.424 -13.668 1.00 43.32 ATOM 556 CG1 ILE 37 44.866 -11.654 -15.069 1.00 51.44 ATOM 557 HG11 ILE 37 44.387 -10.827 -15.577 1.00 37.20 ATOM 558 HG12 ILE 37 44.202 -12.019 -14.315 1.00 23.53 ATOM 559 CG2 ILE 37 47.053 -10.488 -15.460 1.00 30.54 ATOM 560 HG21 ILE 37 47.901 -10.037 -14.982 1.00 42.35 ATOM 561 HG22 ILE 37 46.494 -9.727 -15.978 1.00 21.15 ATOM 562 HG23 ILE 37 47.397 -11.219 -16.177 1.00 25.12 ATOM 563 CD1 ILE 37 45.079 -12.752 -16.088 1.00 10.32 ATOM 564 HD11 ILE 37 44.545 -12.502 -16.994 1.00 62.21 ATOM 565 HD12 ILE 37 44.686 -13.678 -15.695 1.00 30.15 ATOM 566 HD13 ILE 37 46.124 -12.886 -16.318 1.00 23.00 ATOM 567 C ILE 37 48.127 -11.783 -13.018 1.00 35.42 ATOM 568 O ILE 37 48.040 -11.392 -11.854 1.00 13.10 ATOM 569 N SER 38 49.263 -11.760 -13.706 1.00 63.42 ATOM 570 HN SER 38 49.275 -12.094 -14.630 1.00 37.20 ATOM 571 CA SER 38 50.503 -11.266 -13.119 1.00 11.24 ATOM 572 HA SER 38 50.268 -10.658 -12.252 1.00 72.53 ATOM 573 CB SER 38 51.381 -12.435 -12.669 1.00 31.13 ATOM 574 HB1 SER 38 51.985 -12.125 -11.829 1.00 37.20 ATOM 575 HB2 SER 38 52.028 -12.752 -13.478 1.00 33.23 ATOM 576 OG SER 38 50.591 -13.544 -12.276 1.00 61.44 ATOM 577 HG SER 38 50.266 -13.409 -11.382 1.00 43.23 ATOM 578 C SER 38 51.266 -10.395 -14.113 1.00 33.34 ATOM 579 O SER 38 51.079 -10.506 -15.324 1.00 52.15 ATOM 580 N LYS 39 52.127 -9.528 -13.591 1.00 30.43 ATOM 581 HN LYS 39 52.230 -9.483 -12.610 1.00 37.20 ATOM 582 CA LYS 39 52.921 -8.638 -14.430 1.00 34.43 ATOM 583 HA LYS 39 52.246 -7.954 -14.924 1.00 4.42 ATOM 584 CB LYS 39 53.901 -7.835 -13.572 1.00 12.10 ATOM 585 HB1 LYS 39 54.504 -8.523 -12.997 1.00 37.20 ATOM 586 HB2 LYS 39 53.332 -7.214 -12.893 1.00 75.54 ATOM 587 CG LYS 39 54.829 -6.945 -14.381 1.00 30.32 ATOM 588 HG1 LYS 39 54.236 -6.309 -15.022 1.00 37.20 ATOM 589 HG2 LYS 39 55.465 -7.568 -14.986 1.00 63.13 ATOM 590 CD LYS 39 55.687 -6.071 -13.482 1.00 15.42 ATOM 591 HD1 LYS 39 56.089 -6.669 -12.673 1.00 37.20 ATOM 592 HD2 LYS 39 55.075 -5.280 -13.076 1.00 61.32 ATOM 593 CE LYS 39 56.845 -5.451 -14.248 1.00 50.40 ATOM 594 HE1 LYS 39 57.320 -4.720 -13.611 1.00 37.20 ATOM 595 HE2 LYS 39 56.469 -4.956 -15.129 1.00 32.24 ATOM 596 NZ LYS 39 57.858 -6.469 -14.641 1.00 50.34 ATOM 597 HZ1 LYS 39 57.421 -7.342 -14.985 1.00 14.24 ATOM 598 HZ2 LYS 39 58.456 -6.703 -13.824 1.00 71.23 ATOM 599 HZ3 LYS 39 58.467 -6.085 -15.393 1.00 41.04 ATOM 600 C LYS 39 53.684 -9.426 -15.489 1.00 71.54 ATOM 601 O LYS 39 53.647 -9.090 -16.672 1.00 53.53 ATOM 602 N GLU 40 54.374 -10.477 -15.057 1.00 35.44 ATOM 603 HN GLU 40 54.389 -10.669 -14.092 1.00 37.20 ATOM 604 CA GLU 40 55.144 -11.313 -15.970 1.00 5.13 ATOM 605 HA GLU 40 55.886 -10.690 -16.451 1.00 74.44 ATOM 606 CB GLU 40 55.860 -12.424 -15.199 1.00 34.44 ATOM 607 HB1 GLU 40 56.581 -11.969 -14.534 1.00 37.20 ATOM 608 HB2 GLU 40 56.386 -13.062 -15.899 1.00 60.02 ATOM 609 CG GLU 40 54.925 -13.286 -14.367 1.00 21.35 ATOM 610 HG1 GLU 40 54.210 -13.760 -15.018 1.00 37.20 ATOM 611 HG2 GLU 40 54.406 -12.667 -13.655 1.00 44.21 ATOM 612 CD GLU 40 55.658 -14.374 -13.605 1.00 13.32 ATOM 613 OE1 GLU 40 55.135 -15.506 -13.539 1.00 20.11 ATOM 614 OE2 GLU 40 56.753 -14.093 -13.075 1.00 13.34 ATOM 615 C GLU 40 54.245 -11.921 -17.042 1.00 52.41 ATOM 616 O GLU 40 54.634 -12.032 -18.204 1.00 44.31 ATOM 617 N ALA 41 53.040 -12.313 -16.642 1.00 55.34 ATOM 618 HN ALA 41 52.779 -12.204 -15.697 1.00 37.20 ATOM 619 CA ALA 41 52.084 -12.908 -17.568 1.00 53.43 ATOM 620 HA ALA 41 52.558 -13.754 -18.050 1.00 24.14 ATOM 621 CB ALA 41 50.867 -13.422 -16.813 1.00 2.31 ATOM 622 HB1 ALA 41 50.310 -12.591 -16.411 1.00 44.32 ATOM 623 HB2 ALA 41 51.190 -14.061 -16.005 1.00 44.14 ATOM 624 HB3 ALA 41 50.237 -13.985 -17.486 1.00 63.13 ATOM 625 C ALA 41 51.660 -11.907 -18.638 1.00 64.14 ATOM 626 O ALA 41 51.703 -12.205 -19.833 1.00 13.11 ATOM 627 N LEU 42 51.252 -10.720 -18.203 1.00 72.34 ATOM 628 HN LEU 42 51.241 -10.539 -17.232 1.00 37.20 ATOM 629 CA LEU 42 50.820 -9.675 -19.125 1.00 13.02 ATOM 630 HA LEU 42 50.018 -10.071 -19.733 1.00 3.14 ATOM 631 CB LEU 42 50.295 -8.467 -18.347 1.00 5.23 ATOM 632 HB1 LEU 42 51.077 -8.130 -17.678 1.00 37.20 ATOM 633 HB2 LEU 42 49.472 -8.822 -17.739 1.00 32.01 ATOM 634 CG LEU 42 49.812 -7.285 -19.188 1.00 40.00 ATOM 635 HG LEU 42 49.403 -7.648 -20.122 1.00 32.11 ATOM 636 CD1 LEU 42 48.707 -6.532 -18.465 1.00 15.33 ATOM 637 HD11 LEU 42 48.207 -5.902 -19.169 1.00 53.11 ATOM 638 HD12 LEU 42 49.119 -5.932 -17.664 1.00 75.32 ATOM 639 HD13 LEU 42 47.993 -7.234 -18.056 1.00 15.03 ATOM 640 CD2 LEU 42 50.970 -6.353 -19.514 1.00 21.12 ATOM 641 HD21 LEU 42 51.565 -6.769 -20.307 1.00 53.22 ATOM 642 HD22 LEU 42 51.590 -6.206 -18.640 1.00 42.25 ATOM 643 HD23 LEU 42 50.587 -5.392 -19.838 1.00 71.31 ATOM 644 C LEU 42 51.963 -9.248 -20.039 1.00 65.11 ATOM 645 O LEU 42 51.806 -9.183 -21.259 1.00 63.31 ATOM 646 N LEU 43 53.115 -8.960 -19.442 1.00 52.34 ATOM 647 HN LEU 43 53.180 -9.028 -18.460 1.00 37.20 ATOM 648 CA LEU 43 54.287 -8.541 -20.203 1.00 60.22 ATOM 649 HA LEU 43 54.029 -7.653 -20.754 1.00 24.14 ATOM 650 CB LEU 43 55.453 -8.243 -19.259 1.00 33.04 ATOM 651 HB1 LEU 43 56.363 -8.174 -19.847 1.00 37.20 ATOM 652 HB2 LEU 43 55.553 -9.080 -18.581 1.00 13.41 ATOM 653 CG LEU 43 55.333 -6.965 -18.428 1.00 22.15 ATOM 654 HG LEU 43 54.466 -7.039 -17.788 1.00 54.03 ATOM 655 CD1 LEU 43 56.557 -6.788 -17.542 1.00 14.03 ATOM 656 HD11 LEU 43 56.449 -5.894 -16.953 1.00 33.53 ATOM 657 HD12 LEU 43 57.444 -6.707 -18.156 1.00 73.50 ATOM 658 HD13 LEU 43 56.651 -7.641 -16.888 1.00 61.25 ATOM 659 CD2 LEU 43 55.148 -5.756 -19.333 1.00 1.35 ATOM 660 HD21 LEU 43 54.197 -5.820 -19.837 1.00 3.41 ATOM 661 HD22 LEU 43 55.943 -5.722 -20.064 1.00 31.51 ATOM 662 HD23 LEU 43 55.171 -4.850 -18.740 1.00 34.12 ATOM 663 C LEU 43 54.694 -9.613 -21.209 1.00 43.34 ATOM 664 O LEU 43 55.104 -9.303 -22.328 1.00 31.23 ATOM 665 N GLU 44 54.577 -10.873 -20.804 1.00 74.31 ATOM 666 HN GLU 44 54.258 -11.064 -19.891 1.00 37.20 ATOM 667 CA GLU 44 54.931 -11.990 -21.672 1.00 25.33 ATOM 668 HA GLU 44 55.965 -11.867 -21.973 1.00 65.21 ATOM 669 CB GLU 44 54.776 -13.316 -20.923 1.00 40.32 ATOM 670 HB1 GLU 44 54.551 -14.111 -21.628 1.00 37.20 ATOM 671 HB2 GLU 44 53.949 -13.234 -20.232 1.00 53.05 ATOM 672 CG GLU 44 56.010 -13.717 -20.133 1.00 64.12 ATOM 673 HG1 GLU 44 55.708 -14.394 -19.347 1.00 37.20 ATOM 674 HG2 GLU 44 56.458 -12.837 -19.690 1.00 54.13 ATOM 675 CD GLU 44 57.051 -14.411 -20.990 1.00 62.31 ATOM 676 OE1 GLU 44 57.092 -15.659 -20.978 1.00 23.54 ATOM 677 OE2 GLU 44 57.824 -13.707 -21.672 1.00 63.24 ATOM 678 C GLU 44 54.066 -11.999 -22.929 1.00 5.02 ATOM 679 O GLU 44 54.577 -12.096 -24.046 1.00 32.15 ATOM 680 N CYS 45 52.756 -11.898 -22.738 1.00 52.54 ATOM 681 HN CYS 45 52.411 -11.806 -21.818 1.00 37.20 ATOM 682 CA CYS 45 51.819 -11.895 -23.856 1.00 53.02 ATOM 683 HA CYS 45 51.987 -12.790 -24.441 1.00 70.14 ATOM 684 CB CYS 45 50.379 -11.910 -23.341 1.00 53.15 ATOM 685 HB1 CYS 45 49.699 -11.933 -24.182 1.00 37.20 ATOM 686 HB2 CYS 45 50.198 -11.015 -22.763 1.00 43.31 ATOM 687 SG CYS 45 49.987 -13.324 -22.285 1.00 72.35 ATOM 688 HG CYS 45 50.411 -14.421 -22.896 1.00 10.15 ATOM 689 C CYS 45 52.040 -10.678 -24.749 1.00 22.14 ATOM 690 O CYS 45 51.958 -10.771 -25.973 1.00 5.31 ATOM 691 N ALA 46 52.319 -9.537 -24.126 1.00 62.42 ATOM 692 HN ALA 46 52.363 -9.517 -23.141 1.00 37.20 ATOM 693 CA ALA 46 52.553 -8.302 -24.864 1.00 34.12 ATOM 694 HA ALA 46 51.753 -8.164 -25.576 1.00 11.21 ATOM 695 CB ALA 46 52.539 -7.111 -23.917 1.00 32.32 ATOM 696 HB1 ALA 46 53.391 -7.161 -23.252 1.00 12.50 ATOM 697 HB2 ALA 46 51.633 -7.128 -23.333 1.00 3.14 ATOM 698 HB3 ALA 46 52.581 -6.195 -24.488 1.00 11.54 ATOM 699 C ALA 46 53.872 -8.359 -25.626 1.00 40.22 ATOM 700 O ALA 46 54.018 -7.739 -26.680 1.00 61.20 ATOM 701 N ASP 47 54.830 -9.105 -25.087 1.00 11.42 ATOM 702 HN ASP 47 54.666 -9.572 -24.235 1.00 37.20 ATOM 703 CA ASP 47 56.138 -9.242 -25.717 1.00 32.32 ATOM 704 HA ASP 47 56.495 -8.248 -25.965 1.00 3.02 ATOM 705 CB ASP 47 57.125 -9.902 -24.753 1.00 30.41 ATOM 706 HB1 ASP 47 56.970 -10.973 -24.737 1.00 37.20 ATOM 707 HB2 ASP 47 56.966 -9.510 -23.762 1.00 14.24 ATOM 708 CG ASP 47 58.569 -9.628 -25.125 1.00 12.44 ATOM 709 OD1 ASP 47 59.194 -10.501 -25.762 1.00 42.45 ATOM 710 OD2 ASP 47 59.073 -8.539 -24.778 1.00 62.15 ATOM 711 C ASP 47 56.039 -10.059 -27.002 1.00 11.05 ATOM 712 O ASP 47 56.647 -9.716 -28.016 1.00 55.45 ATOM 713 N LEU 48 55.271 -11.142 -26.950 1.00 53.55 ATOM 714 HN LEU 48 54.824 -11.380 -26.103 1.00 37.20 ATOM 715 CA LEU 48 55.093 -12.009 -28.110 1.00 54.30 ATOM 716 HA LEU 48 56.045 -12.461 -28.322 1.00 53.42 ATOM 717 CB LEU 48 54.048 -13.085 -27.811 1.00 22.53 ATOM 718 HB1 LEU 48 53.489 -13.295 -28.719 1.00 37.20 ATOM 719 HB2 LEU 48 53.353 -12.688 -27.081 1.00 33.22 ATOM 720 CG LEU 48 54.588 -14.415 -27.282 1.00 74.24 ATOM 721 HG LEU 48 55.137 -14.235 -26.369 1.00 14.23 ATOM 722 CD1 LEU 48 53.444 -15.366 -26.962 1.00 43.51 ATOM 723 HD11 LEU 48 53.841 -16.292 -26.568 1.00 52.40 ATOM 724 HD12 LEU 48 52.878 -15.572 -27.860 1.00 23.44 ATOM 725 HD13 LEU 48 52.794 -14.916 -26.224 1.00 35.13 ATOM 726 CD2 LEU 48 55.539 -15.043 -28.290 1.00 60.14 ATOM 727 HD21 LEU 48 55.040 -15.157 -29.243 1.00 50.23 ATOM 728 HD22 LEU 48 55.854 -16.016 -27.935 1.00 72.24 ATOM 729 HD23 LEU 48 56.409 -14.420 -28.413 1.00 20.45 ATOM 730 C LEU 48 54.671 -11.202 -29.334 1.00 2.31 ATOM 731 O LEU 48 55.030 -11.535 -30.464 1.00 52.12 ATOM 732 N LEU 49 53.910 -10.138 -29.101 1.00 61.13 ATOM 733 HN LEU 49 53.622 -9.933 -28.182 1.00 37.20 ATOM 734 CA LEU 49 53.441 -9.281 -30.185 1.00 4.03 ATOM 735 HA LEU 49 53.006 -9.911 -30.953 1.00 74.21 ATOM 736 CB LEU 49 52.375 -8.313 -29.670 1.00 54.23 ATOM 737 HB1 LEU 49 52.406 -7.421 -30.289 1.00 37.20 ATOM 738 HB2 LEU 49 52.632 -8.019 -28.662 1.00 23.55 ATOM 739 CG LEU 49 50.937 -8.832 -29.679 1.00 35.32 ATOM 740 HG LEU 49 50.755 -9.366 -30.602 1.00 51.40 ATOM 741 CD1 LEU 49 50.712 -9.800 -28.527 1.00 14.50 ATOM 742 HD11 LEU 49 50.873 -9.285 -27.594 1.00 23.12 ATOM 743 HD12 LEU 49 51.407 -10.622 -28.602 1.00 14.51 ATOM 744 HD13 LEU 49 49.700 -10.177 -28.560 1.00 10.41 ATOM 745 CD2 LEU 49 49.951 -7.675 -29.606 1.00 60.11 ATOM 746 HD21 LEU 49 50.144 -6.982 -30.414 1.00 63.20 ATOM 747 HD22 LEU 49 50.059 -7.160 -28.661 1.00 61.40 ATOM 748 HD23 LEU 49 48.951 -8.049 -29.697 1.00 32.00 ATOM 749 C LEU 49 54.598 -8.501 -30.801 1.00 10.40 ATOM 750 O LEU 49 54.777 -8.494 -32.019 1.00 34.51 ATOM 751 N SER 50 55.382 -7.845 -29.951 1.00 61.02 ATOM 752 HN SER 50 55.188 -7.888 -28.984 1.00 37.20 ATOM 753 CA SER 50 56.521 -7.060 -30.412 1.00 42.03 ATOM 754 HA SER 50 56.151 -6.282 -31.066 1.00 5.22 ATOM 755 CB SER 50 57.233 -6.409 -29.225 1.00 12.41 ATOM 756 HB1 SER 50 57.329 -7.128 -28.424 1.00 37.20 ATOM 757 HB2 SER 50 56.656 -5.564 -28.881 1.00 72.32 ATOM 758 OG SER 50 58.527 -5.961 -29.589 1.00 50.31 ATOM 759 HG SER 50 58.461 -5.118 -30.045 1.00 34.11 ATOM 760 C SER 50 57.502 -7.931 -31.192 1.00 35.22 ATOM 761 O SER 50 58.067 -7.502 -32.197 1.00 51.43 ATOM 762 N SER 51 57.698 -9.158 -30.720 1.00 33.13 ATOM 763 HN SER 51 57.218 -9.449 -29.910 1.00 37.20 ATOM 764 CA SER 51 58.612 -10.090 -31.369 1.00 44.20 ATOM 765 HA SER 51 59.514 -9.553 -31.639 1.00 23.22 ATOM 766 CB SER 51 58.983 -11.224 -30.412 1.00 33.41 ATOM 767 HB1 SER 51 59.021 -12.168 -30.944 1.00 37.20 ATOM 768 HB2 SER 51 58.249 -11.299 -29.622 1.00 34.41 ATOM 769 OG SER 51 60.252 -11.001 -29.823 1.00 64.35 ATOM 770 HG SER 51 60.944 -11.253 -30.440 1.00 50.13 ATOM 771 C SER 51 57.992 -10.663 -32.640 1.00 24.13 ATOM 772 O SER 51 58.675 -10.850 -33.647 1.00 33.25 ATOM 773 N ALA 52 56.694 -10.940 -32.584 1.00 53.10 ATOM 774 HN ALA 52 56.196 -10.779 -31.748 1.00 37.20 ATOM 775 CA ALA 52 55.980 -11.490 -33.730 1.00 0.12 ATOM 776 HA ALA 52 56.553 -12.321 -34.125 1.00 45.12 ATOM 777 CB ALA 52 54.623 -12.025 -33.299 1.00 34.22 ATOM 778 HB1 ALA 52 54.038 -11.225 -32.868 1.00 21.44 ATOM 779 HB2 ALA 52 54.763 -12.804 -32.564 1.00 12.43 ATOM 780 HB3 ALA 52 54.102 -12.433 -34.155 1.00 63.11 ATOM 781 C ALA 52 55.814 -10.444 -34.827 1.00 3.10 ATOM 782 O ALA 52 55.625 -10.781 -35.997 1.00 11.34 ATOM 783 N LEU 53 55.886 -9.174 -34.443 1.00 32.20 ATOM 784 HN LEU 53 56.023 -8.953 -33.494 1.00 37.20 ATOM 785 CA LEU 53 55.743 -8.078 -35.395 1.00 11.13 ATOM 786 HA LEU 53 54.915 -8.305 -36.055 1.00 53.10 ATOM 787 CB LEU 53 55.448 -6.771 -34.657 1.00 11.14 ATOM 788 HB1 LEU 53 55.724 -5.936 -35.294 1.00 37.20 ATOM 789 HB2 LEU 53 56.087 -6.742 -33.782 1.00 51.22 ATOM 790 CG LEU 53 54.001 -6.565 -34.208 1.00 33.42 ATOM 791 HG LEU 53 53.634 -7.469 -33.750 1.00 35.22 ATOM 792 CD1 LEU 53 53.914 -5.449 -33.178 1.00 64.34 ATOM 793 HD11 LEU 53 53.717 -4.510 -33.668 1.00 50.31 ATOM 794 HD12 LEU 53 54.836 -5.374 -32.614 1.00 74.21 ATOM 795 HD13 LEU 53 53.104 -5.665 -32.497 1.00 52.34 ATOM 796 CD2 LEU 53 53.110 -6.261 -35.403 1.00 53.23 ATOM 797 HD21 LEU 53 53.452 -5.359 -35.893 1.00 72.12 ATOM 798 HD22 LEU 53 52.091 -6.122 -35.069 1.00 54.21 ATOM 799 HD23 LEU 53 53.144 -7.084 -36.102 1.00 34.24 ATOM 800 C LEU 53 57.002 -7.924 -36.241 1.00 64.02 ATOM 801 O LEU 53 56.929 -7.752 -37.458 1.00 51.44 ATOM 802 N THR 54 58.159 -7.990 -35.589 1.00 42.53 ATOM 803 HN THR 54 58.154 -8.137 -34.615 1.00 37.20 ATOM 804 CA THR 54 59.435 -7.859 -36.281 1.00 40.35 ATOM 805 HA THR 54 59.499 -6.855 -36.681 1.00 2.12 ATOM 806 CB THR 54 60.620 -8.078 -35.322 1.00 11.11 ATOM 807 HB THR 54 61.545 -7.989 -35.879 1.00 1.04 ATOM 808 OG1 THR 54 60.546 -9.386 -34.743 1.00 44.35 ATOM 809 HG1 THR 54 61.423 -9.671 -34.475 1.00 33.12 ATOM 810 CG2 THR 54 60.624 -7.030 -34.219 1.00 43.23 ATOM 811 HG21 THR 54 59.671 -6.999 -33.731 1.00 61.14 ATOM 812 HG22 THR 54 60.836 -6.062 -34.647 1.00 33.02 ATOM 813 HG23 THR 54 61.389 -7.276 -33.497 1.00 55.32 ATOM 814 C THR 54 59.539 -8.851 -37.434 1.00 44.43 ATOM 815 O THR 54 60.240 -8.604 -38.415 1.00 41.22 ATOM 816 N GLU 55 58.837 -9.973 -37.309 1.00 43.51 ATOM 817 HN GLU 55 58.284 -10.118 -36.518 1.00 37.20 ATOM 818 CA GLU 55 58.852 -11.001 -38.342 1.00 63.52 ATOM 819 HA GLU 55 59.587 -10.727 -39.087 1.00 41.12 ATOM 820 CB GLU 55 59.257 -12.350 -37.744 1.00 33.41 ATOM 821 HB1 GLU 55 60.330 -12.354 -37.613 1.00 37.20 ATOM 822 HB2 GLU 55 58.988 -13.151 -38.418 1.00 11.04 ATOM 823 CG GLU 55 58.616 -12.635 -36.396 1.00 4.24 ATOM 824 HG1 GLU 55 57.544 -12.672 -36.516 1.00 37.20 ATOM 825 HG2 GLU 55 58.877 -11.851 -35.714 1.00 53.34 ATOM 826 CD GLU 55 59.085 -13.945 -35.792 1.00 54.31 ATOM 827 OE1 GLU 55 58.692 -15.011 -36.310 1.00 65.01 ATOM 828 OE2 GLU 55 59.844 -13.903 -34.801 1.00 52.13 ATOM 829 C GLU 55 57.487 -11.119 -39.013 1.00 34.12 ATOM 830 O GLU 55 56.458 -10.738 -38.454 1.00 33.40 ATOM 831 N PRO 56 57.475 -11.658 -40.241 1.00 23.42 ATOM 832 CA PRO 56 56.244 -11.839 -41.015 1.00 14.01 ATOM 833 HA PRO 56 55.698 -10.909 -41.104 1.00 14.40 ATOM 834 CB PRO 56 56.751 -12.261 -42.396 1.00 23.21 ATOM 835 HB1 PRO 56 56.843 -11.397 -43.025 1.00 37.20 ATOM 836 HB2 PRO 56 56.070 -12.967 -42.857 1.00 75.33 ATOM 837 CG PRO 56 58.082 -12.879 -42.138 1.00 3.42 ATOM 838 HG1 PRO 56 58.714 -12.766 -43.006 1.00 37.20 ATOM 839 HG2 PRO 56 57.961 -13.924 -41.894 1.00 73.30 ATOM 840 CD PRO 56 58.664 -12.134 -40.968 1.00 22.10 ATOM 841 HD1 PRO 56 59.263 -11.304 -41.312 1.00 37.20 ATOM 842 HD2 PRO 56 59.257 -12.802 -40.374 1.00 4.44 ATOM 843 C PRO 56 55.342 -12.918 -40.426 1.00 32.41 ATOM 844 O PRO 56 55.770 -14.054 -40.219 1.00 34.01 ATOM 845 N VAL 57 54.091 -12.557 -40.158 1.00 51.23 ATOM 846 HN VAL 57 53.804 -11.629 -40.330 1.00 37.20 ATOM 847 CA VAL 57 53.128 -13.495 -39.594 1.00 70.24 ATOM 848 HA VAL 57 53.465 -14.501 -39.820 1.00 64.53 ATOM 849 CB VAL 57 53.024 -13.342 -38.065 1.00 51.24 ATOM 850 HB VAL 57 52.118 -13.814 -37.713 1.00 42.02 ATOM 851 CG1 VAL 57 54.194 -14.029 -37.379 1.00 23.12 ATOM 852 HG11 VAL 57 54.204 -15.077 -37.643 1.00 51.31 ATOM 853 HG12 VAL 57 54.093 -13.933 -36.307 1.00 45.13 ATOM 854 HG13 VAL 57 55.122 -13.571 -37.694 1.00 42.20 ATOM 855 CG2 VAL 57 52.958 -11.871 -37.681 1.00 63.41 ATOM 856 HG21 VAL 57 52.208 -11.370 -38.270 1.00 50.23 ATOM 857 HG22 VAL 57 53.918 -11.402 -37.857 1.00 32.35 ATOM 858 HG23 VAL 57 52.713 -11.798 -36.638 1.00 42.41 ATOM 859 C VAL 57 51.746 -13.301 -40.209 1.00 4.51 ATOM 860 O VAL 57 51.411 -12.231 -40.718 1.00 42.20 ATOM 861 N PRO 58 50.923 -14.358 -40.161 1.00 62.42 ATOM 862 CA PRO 58 49.563 -14.329 -40.708 1.00 3.53 ATOM 863 HA PRO 58 49.561 -14.010 -41.739 1.00 12.10 ATOM 864 CB PRO 58 49.117 -15.791 -40.628 1.00 51.43 ATOM 865 HB1 PRO 58 49.329 -16.280 -41.567 1.00 37.20 ATOM 866 HB2 PRO 58 48.056 -15.861 -40.417 1.00 61.33 ATOM 867 CG PRO 58 49.932 -16.376 -39.528 1.00 22.34 ATOM 868 HG1 PRO 58 50.069 -17.434 -39.692 1.00 37.20 ATOM 869 HG2 PRO 58 49.443 -16.203 -38.597 1.00 41.45 ATOM 870 CD PRO 58 51.256 -15.665 -39.569 1.00 44.04 ATOM 871 HD1 PRO 58 51.953 -16.205 -40.194 1.00 37.20 ATOM 872 HD2 PRO 58 51.644 -15.568 -38.574 1.00 11.31 ATOM 873 C PRO 58 48.630 -13.441 -39.891 1.00 73.42 ATOM 874 O PRO 58 48.706 -13.408 -38.664 1.00 4.41 ATOM 875 N ASN 59 47.748 -12.725 -40.581 1.00 42.21 ATOM 876 HN ASN 59 47.737 -12.793 -41.566 1.00 37.20 ATOM 877 CA ASN 59 46.799 -11.837 -39.919 1.00 4.01 ATOM 878 HA ASN 59 47.361 -11.033 -39.462 1.00 61.40 ATOM 879 CB ASN 59 45.813 -11.260 -40.937 1.00 30.45 ATOM 880 HB1 ASN 59 44.865 -11.052 -40.453 1.00 37.20 ATOM 881 HB2 ASN 59 45.647 -11.984 -41.723 1.00 43.45 ATOM 882 CG ASN 59 46.308 -9.966 -41.552 1.00 13.31 ATOM 883 OD1 ASN 59 46.717 -9.046 -40.844 1.00 2.42 ATOM 884 ND2 ASN 59 46.271 -9.889 -42.877 1.00 45.01 ATOM 885 HD21 ASN 59 45.933 -10.654 -43.395 1.00 24.02 ATOM 886 HD22 ASN 59 46.587 -9.060 -43.293 1.00 60.43 ATOM 887 C ASN 59 46.041 -12.574 -38.820 1.00 34.23 ATOM 888 O ASN 59 45.762 -12.013 -37.760 1.00 22.21 ATOM 889 N SER 60 45.710 -13.835 -39.080 1.00 15.11 ATOM 890 HN SER 60 45.945 -14.231 -39.952 1.00 37.20 ATOM 891 CA SER 60 44.980 -14.649 -38.114 1.00 42.43 ATOM 892 HA SER 60 44.019 -14.184 -37.942 1.00 73.40 ATOM 893 CB SER 60 44.756 -16.057 -38.668 1.00 63.03 ATOM 894 HB1 SER 60 45.655 -16.399 -39.161 1.00 37.20 ATOM 895 HB2 SER 60 43.943 -16.037 -39.378 1.00 45.42 ATOM 896 OG SER 60 44.433 -16.967 -37.632 1.00 31.44 ATOM 897 HG SER 60 44.393 -17.857 -37.989 1.00 64.40 ATOM 898 C SER 60 45.733 -14.725 -36.789 1.00 50.35 ATOM 899 O SER 60 45.170 -14.459 -35.728 1.00 74.50 ATOM 900 N GLN 61 47.009 -15.089 -36.861 1.00 42.13 ATOM 901 HN GLN 61 47.406 -15.286 -37.744 1.00 37.20 ATOM 902 CA GLN 61 47.839 -15.201 -35.668 1.00 4.11 ATOM 903 HA GLN 61 47.352 -15.885 -34.984 1.00 34.33 ATOM 904 CB GLN 61 49.216 -15.760 -36.030 1.00 24.44 ATOM 905 HB1 GLN 61 49.761 -15.029 -36.613 1.00 37.20 ATOM 906 HB2 GLN 61 49.060 -16.641 -36.634 1.00 70.12 ATOM 907 CG GLN 61 50.056 -16.139 -34.820 1.00 71.23 ATOM 908 HG1 GLN 61 49.405 -16.447 -34.011 1.00 37.20 ATOM 909 HG2 GLN 61 50.620 -15.271 -34.511 1.00 15.12 ATOM 910 CD GLN 61 51.019 -17.273 -35.111 1.00 25.03 ATOM 911 OE1 GLN 61 50.700 -18.199 -35.858 1.00 1.55 ATOM 912 NE2 GLN 61 52.207 -17.207 -34.521 1.00 2.33 ATOM 913 HE21 GLN 61 52.409 -16.444 -33.933 1.00 33.24 ATOM 914 HE22 GLN 61 52.844 -17.931 -34.697 1.00 60.41 ATOM 915 C GLN 61 47.992 -13.847 -34.982 1.00 34.42 ATOM 916 O GLN 61 47.848 -13.737 -33.763 1.00 60.53 ATOM 917 N LEU 62 48.283 -12.819 -35.771 1.00 24.32 ATOM 918 HN LEU 62 48.397 -12.969 -36.740 1.00 37.20 ATOM 919 CA LEU 62 48.456 -11.472 -35.239 1.00 53.33 ATOM 920 HA LEU 62 49.303 -11.488 -34.576 1.00 51.33 ATOM 921 CB LEU 62 48.699 -10.480 -36.378 1.00 63.24 ATOM 922 HB1 LEU 62 48.403 -9.489 -36.046 1.00 37.20 ATOM 923 HB2 LEU 62 48.059 -10.759 -37.206 1.00 32.14 ATOM 924 CG LEU 62 50.136 -10.389 -36.893 1.00 5.54 ATOM 925 HG LEU 62 50.425 -11.360 -37.246 1.00 30.13 ATOM 926 CD1 LEU 62 50.227 -9.408 -38.052 1.00 21.41 ATOM 927 HD11 LEU 62 49.572 -9.729 -38.851 1.00 3.45 ATOM 928 HD12 LEU 62 51.244 -9.373 -38.419 1.00 13.44 ATOM 929 HD13 LEU 62 49.931 -8.423 -37.720 1.00 1.31 ATOM 930 CD2 LEU 62 51.079 -9.979 -35.770 1.00 42.25 ATOM 931 HD21 LEU 62 51.171 -10.787 -35.062 1.00 72.02 ATOM 932 HD22 LEU 62 50.694 -9.102 -35.267 1.00 1.00 ATOM 933 HD23 LEU 62 52.057 -9.752 -36.174 1.00 44.41 ATOM 934 C LEU 62 47.235 -11.045 -34.431 1.00 14.11 ATOM 935 O LEU 62 47.349 -10.676 -33.262 1.00 33.31 ATOM 936 N VAL 63 46.065 -11.099 -35.061 1.00 65.41 ATOM 937 HN VAL 63 46.039 -11.434 -35.987 1.00 37.20 ATOM 938 CA VAL 63 44.822 -10.722 -34.400 1.00 1.12 ATOM 939 HA VAL 63 44.906 -9.697 -34.101 1.00 43.20 ATOM 940 CB VAL 63 43.619 -10.848 -35.353 1.00 33.33 ATOM 941 HB VAL 63 43.536 -11.880 -35.668 1.00 3.53 ATOM 942 CG1 VAL 63 42.331 -10.464 -34.640 1.00 73.54 ATOM 943 HG11 VAL 63 41.518 -10.423 -35.355 1.00 23.31 ATOM 944 HG12 VAL 63 42.442 -9.494 -34.174 1.00 44.14 ATOM 945 HG13 VAL 63 42.093 -11.199 -33.886 1.00 34.22 ATOM 946 CG2 VAL 63 43.828 -9.991 -36.592 1.00 3.24 ATOM 947 HG21 VAL 63 44.783 -10.181 -37.037 1.00 2.31 ATOM 948 HG22 VAL 63 43.773 -8.945 -36.322 1.00 21.20 ATOM 949 HG23 VAL 63 43.051 -10.212 -37.310 1.00 21.51 ATOM 950 C VAL 63 44.572 -11.583 -33.166 1.00 44.54 ATOM 951 O VAL 63 44.161 -11.081 -32.120 1.00 24.22 ATOM 952 N ASP 64 44.824 -12.880 -33.297 1.00 32.41 ATOM 953 HN ASP 64 45.140 -13.229 -34.164 1.00 37.20 ATOM 954 CA ASP 64 44.628 -13.812 -32.192 1.00 51.02 ATOM 955 HA ASP 64 43.586 -13.763 -31.900 1.00 55.25 ATOM 956 CB ASP 64 44.958 -15.238 -32.635 1.00 60.20 ATOM 957 HB1 ASP 64 46.030 -15.357 -32.727 1.00 37.20 ATOM 958 HB2 ASP 64 44.501 -15.420 -33.595 1.00 40.22 ATOM 959 CG ASP 64 44.433 -16.281 -31.668 1.00 3.13 ATOM 960 OD1 ASP 64 43.198 -16.375 -31.509 1.00 31.02 ATOM 961 OD2 ASP 64 45.258 -17.003 -31.070 1.00 72.51 ATOM 962 C ASP 64 45.491 -13.425 -30.995 1.00 62.04 ATOM 963 O ASP 64 44.993 -13.274 -29.879 1.00 62.12 ATOM 964 N THR 65 46.789 -13.267 -31.235 1.00 3.40 ATOM 965 HN THR 65 47.129 -13.399 -32.150 1.00 37.20 ATOM 966 CA THR 65 47.722 -12.900 -30.177 1.00 44.34 ATOM 967 HA THR 65 47.669 -13.666 -29.420 1.00 5.31 ATOM 968 CB THR 65 49.168 -12.829 -30.704 1.00 24.15 ATOM 969 HB THR 65 49.299 -11.910 -31.264 1.00 14.44 ATOM 970 OG1 THR 65 49.427 -13.935 -31.575 1.00 61.32 ATOM 971 HG1 THR 65 50.138 -13.711 -32.181 1.00 22.41 ATOM 972 CG2 THR 65 50.164 -12.840 -29.553 1.00 51.33 ATOM 973 HG21 THR 65 51.077 -12.359 -29.870 1.00 40.44 ATOM 974 HG22 THR 65 50.381 -13.863 -29.283 1.00 15.13 ATOM 975 HG23 THR 65 49.767 -12.326 -28.692 1.00 70.30 ATOM 976 C THR 65 47.352 -11.556 -29.559 1.00 65.23 ATOM 977 O THR 65 47.476 -11.363 -28.351 1.00 11.23 ATOM 978 N GLY 66 46.897 -10.630 -30.397 1.00 42.43 ATOM 979 HN GLY 66 46.828 -10.819 -31.359 1.00 37.20 ATOM 980 CA GLY 66 46.516 -9.316 -29.914 1.00 15.50 ATOM 981 HA1 GLY 66 46.447 -8.647 -30.742 1.00 37.20 ATOM 982 HA2 GLY 66 47.273 -8.951 -29.237 1.00 63.24 ATOM 983 C GLY 66 45.192 -9.331 -29.176 1.00 34.21 ATOM 984 O GLY 66 44.932 -8.471 -28.334 1.00 33.23 ATOM 985 N HIS 67 44.351 -10.311 -29.493 1.00 13.31 ATOM 986 HN HIS 67 44.600 -10.958 -30.189 1.00 37.20 ATOM 987 CA HIS 67 43.045 -10.434 -28.854 1.00 62.11 ATOM 988 HA HIS 67 42.523 -9.497 -28.992 1.00 72.53 ATOM 989 CB HIS 67 42.251 -11.577 -29.486 1.00 73.41 ATOM 990 HB1 HIS 67 41.780 -12.175 -28.715 1.00 37.20 ATOM 991 HB2 HIS 67 42.905 -12.210 -30.059 1.00 61.14 ATOM 992 CG HIS 67 41.165 -11.114 -30.408 1.00 71.20 ATOM 993 ND1 HIS 67 40.800 -11.802 -31.546 1.00 52.21 ATOM 994 HD1 HIS 67 41.200 -12.639 -31.862 1.00 20.04 ATOM 995 CD2 HIS 67 40.362 -10.026 -30.354 1.00 1.20 ATOM 996 HD2 HIS 67 40.370 -9.261 -29.590 1.00 14.01 ATOM 997 CE1 HIS 67 39.821 -11.155 -32.153 1.00 75.52 ATOM 998 HE1 HIS 67 39.335 -11.459 -33.068 1.00 55.13 ATOM 999 NE2 HIS 67 39.536 -10.074 -31.450 1.00 31.43 ATOM 1000 HE2 HIS 67 38.917 -9.367 -31.727 1.00 37.20 ATOM 1001 C HIS 67 43.194 -10.671 -27.354 1.00 44.13 ATOM 1002 O HIS 67 42.700 -9.890 -26.542 1.00 2.13 ATOM 1003 N GLN 68 43.878 -11.753 -26.996 1.00 72.10 ATOM 1004 HN GLN 68 44.248 -12.344 -27.696 1.00 37.20 ATOM 1005 CA GLN 68 44.090 -12.092 -25.594 1.00 20.51 ATOM 1006 HA GLN 68 43.133 -12.357 -25.168 1.00 12.24 ATOM 1007 CB GLN 68 45.035 -13.289 -25.474 1.00 60.45 ATOM 1008 HB1 GLN 68 44.743 -14.032 -26.205 1.00 37.20 ATOM 1009 HB2 GLN 68 44.930 -13.712 -24.485 1.00 34.34 ATOM 1010 CG GLN 68 46.498 -12.933 -25.685 1.00 73.13 ATOM 1011 HG1 GLN 68 46.918 -12.615 -24.743 1.00 37.20 ATOM 1012 HG2 GLN 68 46.574 -12.138 -26.397 1.00 70.00 ATOM 1013 CD GLN 68 47.313 -14.100 -26.207 1.00 42.43 ATOM 1014 OE1 GLN 68 48.070 -13.962 -27.169 1.00 3.15 ATOM 1015 NE2 GLN 68 47.163 -15.257 -25.575 1.00 32.42 ATOM 1016 HE21 GLN 68 46.551 -15.318 -24.808 1.00 72.25 ATOM 1017 HE22 GLN 68 47.680 -16.022 -25.905 1.00 31.15 ATOM 1018 C GLN 68 44.657 -10.903 -24.826 1.00 20.22 ATOM 1019 O GLN 68 44.384 -10.731 -23.637 1.00 23.31 ATOM 1020 N LEU 69 45.447 -10.085 -25.512 1.00 3.24 ATOM 1021 HN LEU 69 45.658 -10.283 -26.450 1.00 37.20 ATOM 1022 CA LEU 69 46.054 -8.911 -24.894 1.00 12.33 ATOM 1023 HA LEU 69 46.714 -9.257 -24.113 1.00 62.02 ATOM 1024 CB LEU 69 46.848 -8.116 -25.932 1.00 71.31 ATOM 1025 HB1 LEU 69 46.447 -7.116 -26.002 1.00 37.20 ATOM 1026 HB2 LEU 69 46.728 -8.582 -26.896 1.00 3.14 ATOM 1027 CG LEU 69 48.351 -7.996 -25.679 1.00 40.21 ATOM 1028 HG LEU 69 48.801 -7.436 -26.486 1.00 53.05 ATOM 1029 CD1 LEU 69 48.616 -7.246 -24.383 1.00 13.12 ATOM 1030 HD11 LEU 69 49.680 -7.138 -24.241 1.00 61.54 ATOM 1031 HD12 LEU 69 48.197 -7.789 -23.548 1.00 34.31 ATOM 1032 HD13 LEU 69 48.166 -6.265 -24.437 1.00 40.11 ATOM 1033 CD2 LEU 69 48.998 -9.373 -25.643 1.00 12.35 ATOM 1034 HD21 LEU 69 50.053 -9.257 -25.562 1.00 35.43 ATOM 1035 HD22 LEU 69 48.769 -9.909 -26.554 1.00 4.52 ATOM 1036 HD23 LEU 69 48.631 -9.934 -24.796 1.00 52.51 ATOM 1037 C LEU 69 44.991 -8.019 -24.259 1.00 22.53 ATOM 1038 O LEU 69 45.201 -7.452 -23.186 1.00 25.34 ATOM 1039 N LEU 70 43.849 -7.902 -24.927 1.00 10.13 ATOM 1040 HN LEU 70 43.742 -8.370 -25.788 1.00 37.20 ATOM 1041 CA LEU 70 42.751 -7.081 -24.427 1.00 23.32 ATOM 1042 HA LEU 70 43.138 -6.095 -24.212 1.00 10.52 ATOM 1043 CB LEU 70 41.642 -6.984 -25.476 1.00 23.11 ATOM 1044 HB1 LEU 70 40.686 -7.198 -25.010 1.00 37.20 ATOM 1045 HB2 LEU 70 41.807 -7.734 -26.231 1.00 51.12 ATOM 1046 CG LEU 70 41.516 -5.641 -26.196 1.00 74.32 ATOM 1047 HG LEU 70 40.816 -5.743 -27.013 1.00 31.05 ATOM 1048 CD1 LEU 70 40.981 -4.577 -25.251 1.00 3.33 ATOM 1049 HD11 LEU 70 41.542 -4.592 -24.328 1.00 34.32 ATOM 1050 HD12 LEU 70 39.943 -4.784 -25.036 1.00 32.00 ATOM 1051 HD13 LEU 70 41.059 -3.598 -25.702 1.00 71.22 ATOM 1052 CD2 LEU 70 42.858 -5.218 -26.775 1.00 53.02 ATOM 1053 HD21 LEU 70 43.568 -5.041 -25.983 1.00 34.20 ATOM 1054 HD22 LEU 70 42.743 -4.314 -27.346 1.00 13.22 ATOM 1055 HD23 LEU 70 43.235 -5.998 -27.423 1.00 63.13 ATOM 1056 C LEU 70 42.190 -7.654 -23.129 1.00 65.11 ATOM 1057 O LEU 70 41.794 -6.911 -22.231 1.00 4.00 ATOM 1058 N ASP 71 42.162 -8.979 -23.037 1.00 0.00 ATOM 1059 HN ASP 71 42.481 -9.528 -23.791 1.00 37.20 ATOM 1060 CA ASP 71 41.653 -9.652 -21.848 1.00 0.04 ATOM 1061 HA ASP 71 40.693 -9.209 -21.608 1.00 33.43 ATOM 1062 CB ASP 71 41.470 -11.146 -22.120 1.00 2.12 ATOM 1063 HB1 ASP 71 42.404 -11.671 -21.964 1.00 37.20 ATOM 1064 HB2 ASP 71 41.160 -11.283 -23.147 1.00 73.20 ATOM 1065 CG ASP 71 40.413 -11.771 -21.231 1.00 74.15 ATOM 1066 OD1 ASP 71 39.927 -11.080 -20.311 1.00 63.44 ATOM 1067 OD2 ASP 71 40.071 -12.951 -21.456 1.00 31.33 ATOM 1068 C ASP 71 42.594 -9.449 -20.664 1.00 71.30 ATOM 1069 O ASP 71 42.176 -9.005 -19.595 1.00 12.14 ATOM 1070 N TYR 72 43.865 -9.779 -20.862 1.00 42.05 ATOM 1071 HN TYR 72 44.140 -10.127 -21.744 1.00 37.20 ATOM 1072 CA TYR 72 44.865 -9.637 -19.811 1.00 11.44 ATOM 1073 HA TYR 72 44.540 -10.217 -18.955 1.00 11.32 ATOM 1074 CB TYR 72 46.218 -10.166 -20.289 1.00 11.10 ATOM 1075 HB1 TYR 72 47.000 -9.812 -19.624 1.00 37.20 ATOM 1076 HB2 TYR 72 46.413 -9.786 -21.283 1.00 72.01 ATOM 1077 CG TYR 72 46.300 -11.675 -20.323 1.00 21.35 ATOM 1078 CD1 TYR 72 46.327 -12.362 -21.530 1.00 74.41 ATOM 1079 HD1 TYR 72 46.290 -11.805 -22.456 1.00 43.34 ATOM 1080 CD2 TYR 72 46.350 -12.415 -19.147 1.00 42.52 ATOM 1081 HD2 TYR 72 46.338 -11.894 -18.207 1.00 21.21 ATOM 1082 CE1 TYR 72 46.401 -13.741 -21.566 1.00 30.42 ATOM 1083 HE1 TYR 72 46.421 -14.256 -22.515 1.00 53.12 ATOM 1084 CE2 TYR 72 46.426 -13.794 -19.173 1.00 42.44 ATOM 1085 HE2 TYR 72 46.465 -14.350 -18.248 1.00 11.51 ATOM 1086 CZ TYR 72 46.451 -14.452 -20.385 1.00 20.41 ATOM 1087 OH TYR 72 46.525 -15.826 -20.415 1.00 61.12 ATOM 1088 HH TYR 72 47.404 -16.100 -20.693 1.00 75.21 ATOM 1089 C TYR 72 45.000 -8.179 -19.381 1.00 34.03 ATOM 1090 O TYR 72 45.196 -7.884 -18.201 1.00 43.43 ATOM 1091 N CYS 73 44.892 -7.272 -20.345 1.00 75.45 ATOM 1092 HN CYS 73 44.742 -7.564 -21.275 1.00 37.20 ATOM 1093 CA CYS 73 45.001 -5.844 -20.069 1.00 21.44 ATOM 1094 HA CYS 73 45.852 -5.686 -19.415 1.00 22.20 ATOM 1095 CB CYS 73 45.218 -5.067 -21.368 1.00 23.14 ATOM 1096 HB1 CYS 73 44.989 -4.025 -21.210 1.00 37.20 ATOM 1097 HB2 CYS 73 44.558 -5.450 -22.128 1.00 31.45 ATOM 1098 SG CYS 73 46.908 -5.152 -22.005 1.00 22.00 ATOM 1099 HG CYS 73 47.514 -6.176 -21.422 1.00 73.24 ATOM 1100 C CYS 73 43.753 -5.331 -19.357 1.00 65.31 ATOM 1101 O CYS 73 43.843 -4.544 -18.415 1.00 44.55 ATOM 1102 N SER 74 42.590 -5.782 -19.815 1.00 31.11 ATOM 1103 HN SER 74 42.577 -6.409 -20.577 1.00 37.20 ATOM 1104 CA SER 74 41.323 -5.364 -19.226 1.00 20.31 ATOM 1105 HA SER 74 41.292 -4.285 -19.211 1.00 12.33 ATOM 1106 CB SER 74 40.152 -5.878 -20.065 1.00 71.34 ATOM 1107 HB1 SER 74 40.328 -6.910 -20.331 1.00 37.20 ATOM 1108 HB2 SER 74 40.062 -5.284 -20.962 1.00 53.52 ATOM 1109 OG SER 74 38.936 -5.806 -19.342 1.00 35.31 ATOM 1110 HG SER 74 38.594 -4.909 -19.373 1.00 73.25 ATOM 1111 C SER 74 41.197 -5.871 -17.792 1.00 61.24 ATOM 1112 O SER 74 40.594 -5.218 -16.942 1.00 32.41 ATOM 1113 N GLY 75 41.772 -7.042 -17.532 1.00 40.34 ATOM 1114 HN GLY 75 42.229 -7.543 -18.242 1.00 37.20 ATOM 1115 CA GLY 75 41.713 -7.618 -16.202 1.00 3.33 ATOM 1116 HA1 GLY 75 41.809 -8.690 -16.289 1.00 37.20 ATOM 1117 HA2 GLY 75 40.756 -7.395 -15.745 1.00 12.14 ATOM 1118 C GLY 75 42.820 -7.108 -15.300 1.00 12.21 ATOM 1119 O GLY 75 42.612 -6.907 -14.103 1.00 55.52 ATOM 1120 N TYR 76 44.000 -6.900 -15.874 1.00 14.24 ATOM 1121 HN TYR 76 44.113 -7.080 -16.837 1.00 37.20 ATOM 1122 CA TYR 76 45.145 -6.414 -15.112 1.00 74.25 ATOM 1123 HA TYR 76 45.203 -6.977 -14.187 1.00 43.11 ATOM 1124 CB TYR 76 46.437 -6.633 -15.901 1.00 2.24 ATOM 1125 HB1 TYR 76 46.419 -6.022 -16.796 1.00 37.20 ATOM 1126 HB2 TYR 76 46.492 -7.668 -16.192 1.00 31.33 ATOM 1127 CG TYR 76 47.687 -6.300 -15.118 1.00 2.41 ATOM 1128 CD1 TYR 76 48.244 -5.028 -15.169 1.00 42.45 ATOM 1129 HD1 TYR 76 47.773 -4.269 -15.778 1.00 3.10 ATOM 1130 CD2 TYR 76 48.312 -7.257 -14.328 1.00 11.41 ATOM 1131 HD2 TYR 76 47.894 -8.239 -14.265 1.00 45.34 ATOM 1132 CE1 TYR 76 49.387 -4.719 -14.457 1.00 14.43 ATOM 1133 HE1 TYR 76 49.804 -3.724 -14.510 1.00 73.22 ATOM 1134 CE2 TYR 76 49.454 -6.956 -13.611 1.00 34.24 ATOM 1135 HE2 TYR 76 49.924 -7.714 -13.001 1.00 5.34 ATOM 1136 CZ TYR 76 49.987 -5.686 -13.678 1.00 62.14 ATOM 1137 OH TYR 76 51.125 -5.383 -12.967 1.00 23.34 ATOM 1138 HH TYR 76 50.902 -4.826 -12.215 1.00 23.02 ATOM 1139 C TYR 76 44.986 -4.935 -14.774 1.00 21.10 ATOM 1140 O TYR 76 45.331 -4.497 -13.677 1.00 4.33 ATOM 1141 N VAL 77 44.460 -4.170 -15.725 1.00 61.13 ATOM 1142 HN VAL 77 44.217 -4.569 -16.593 1.00 37.20 ATOM 1143 CA VAL 77 44.253 -2.740 -15.529 1.00 61.23 ATOM 1144 HA VAL 77 45.216 -2.295 -15.396 1.00 32.33 ATOM 1145 CB VAL 77 43.587 -2.096 -16.759 1.00 50.34 ATOM 1146 HB VAL 77 44.140 -2.379 -17.628 1.00 25.15 ATOM 1147 CG1 VAL 77 42.162 -2.602 -16.922 1.00 30.20 ATOM 1148 HG11 VAL 77 41.817 -2.382 -17.921 1.00 40.13 ATOM 1149 HG12 VAL 77 41.506 -2.125 -16.204 1.00 23.30 ATOM 1150 HG13 VAL 77 42.148 -3.657 -16.766 1.00 61.52 ATOM 1151 CG2 VAL 77 43.613 -0.579 -16.645 1.00 54.02 ATOM 1152 HG21 VAL 77 44.629 -0.238 -16.613 1.00 12.20 ATOM 1153 HG22 VAL 77 43.086 -0.253 -15.764 1.00 74.20 ATOM 1154 HG23 VAL 77 43.141 -0.172 -17.508 1.00 12.13 ATOM 1155 C VAL 77 43.392 -2.473 -14.300 1.00 73.02 ATOM 1156 O VAL 77 43.504 -1.423 -13.667 1.00 21.21 ATOM 1157 N ASP 78 42.532 -3.430 -13.968 1.00 0.31 ATOM 1158 HN ASP 78 42.446 -4.233 -14.530 1.00 37.20 ATOM 1159 CA ASP 78 41.652 -3.299 -12.813 1.00 15.02 ATOM 1160 HA ASP 78 41.174 -2.327 -12.861 1.00 52.11 ATOM 1161 CB ASP 78 40.571 -4.381 -12.843 1.00 61.12 ATOM 1162 HB1 ASP 78 41.030 -5.354 -12.730 1.00 37.20 ATOM 1163 HB2 ASP 78 40.060 -4.340 -13.794 1.00 22.14 ATOM 1164 CG ASP 78 39.542 -4.203 -11.744 1.00 24.21 ATOM 1165 OD1 ASP 78 38.599 -3.408 -11.937 1.00 45.04 ATOM 1166 OD2 ASP 78 39.681 -4.859 -10.690 1.00 13.44 ATOM 1167 C ASP 78 42.444 -3.390 -11.512 1.00 71.34 ATOM 1168 O ASP 78 42.000 -2.911 -10.468 1.00 73.24 ATOM 1169 N CYS 79 43.617 -4.009 -11.583 1.00 44.41 ATOM 1170 HN CYS 79 43.917 -4.394 -12.427 1.00 37.20 ATOM 1171 CA CYS 79 44.471 -4.165 -10.411 1.00 2.43 ATOM 1172 HA CYS 79 43.841 -4.325 -9.542 1.00 34.03 ATOM 1173 CB CYS 79 45.391 -5.375 -10.581 1.00 53.22 ATOM 1174 HB1 CYS 79 46.116 -5.391 -9.776 1.00 37.20 ATOM 1175 HB2 CYS 79 45.912 -5.300 -11.519 1.00 33.41 ATOM 1176 SG CYS 79 44.531 -6.965 -10.554 1.00 33.01 ATOM 1177 HG CYS 79 45.439 -7.923 -10.669 1.00 62.03 ATOM 1178 C CYS 79 45.303 -2.908 -10.173 1.00 33.43 ATOM 1179 O CYS 79 45.768 -2.662 -9.059 1.00 52.25 ATOM 1180 N ILE 80 45.487 -2.119 -11.225 1.00 51.14 ATOM 1181 HN ILE 80 45.083 -2.360 -12.085 1.00 37.20 ATOM 1182 CA ILE 80 46.263 -0.889 -11.131 1.00 11.35 ATOM 1183 HA ILE 80 47.284 -1.179 -10.960 1.00 64.42 ATOM 1184 CB ILE 80 46.223 -0.095 -12.450 1.00 1.23 ATOM 1185 HB ILE 80 45.196 0.160 -12.662 1.00 54.35 ATOM 1186 CG1 ILE 80 46.772 -0.944 -13.598 1.00 5.30 ATOM 1187 HG11 ILE 80 46.191 -1.842 -13.694 1.00 37.20 ATOM 1188 HG12 ILE 80 47.798 -1.211 -13.384 1.00 5.34 ATOM 1189 CG2 ILE 80 47.014 1.198 -12.314 1.00 32.10 ATOM 1190 HG21 ILE 80 46.997 1.737 -13.236 1.00 72.20 ATOM 1191 HG22 ILE 80 48.038 0.974 -12.052 1.00 61.15 ATOM 1192 HG23 ILE 80 46.576 1.807 -11.547 1.00 41.32 ATOM 1193 CD1 ILE 80 46.755 -0.236 -14.935 1.00 35.12 ATOM 1194 HD11 ILE 80 46.957 -0.949 -15.721 1.00 33.30 ATOM 1195 HD12 ILE 80 47.510 0.535 -14.950 1.00 72.24 ATOM 1196 HD13 ILE 80 45.788 0.201 -15.090 1.00 43.52 ATOM 1197 C ILE 80 45.751 -0.002 -10.001 1.00 1.43 ATOM 1198 O ILE 80 44.665 0.573 -10.073 1.00 13.12 ATOM 1199 N PRO 81 46.552 0.115 -8.931 1.00 40.31 ATOM 1200 CA PRO 81 46.202 0.933 -7.766 1.00 3.11 ATOM 1201 HA PRO 81 45.231 0.669 -7.373 1.00 53.54 ATOM 1202 CB PRO 81 47.284 0.576 -6.744 1.00 64.30 ATOM 1203 HB1 PRO 81 46.926 -0.222 -6.111 1.00 37.20 ATOM 1204 HB2 PRO 81 47.537 1.434 -6.133 1.00 33.35 ATOM 1205 CG PRO 81 48.445 0.126 -7.563 1.00 31.12 ATOM 1206 HG1 PRO 81 49.033 -0.583 -6.999 1.00 37.20 ATOM 1207 HG2 PRO 81 49.053 0.970 -7.845 1.00 45.21 ATOM 1208 CD PRO 81 47.861 -0.541 -8.777 1.00 70.52 ATOM 1209 HD1 PRO 81 47.758 -1.598 -8.608 1.00 37.20 ATOM 1210 HD2 PRO 81 48.496 -0.352 -9.629 1.00 53.40 ATOM 1211 C PRO 81 46.234 2.426 -8.075 1.00 33.00 ATOM 1212 O PRO 81 45.303 3.158 -7.740 1.00 33.54 ATOM 1213 N GLN 82 47.310 2.870 -8.716 1.00 52.42 ATOM 1214 HN GLN 82 47.993 2.238 -9.015 1.00 37.20 ATOM 1215 CA GLN 82 47.461 4.277 -9.070 1.00 22.22 ATOM 1216 HA GLN 82 47.067 4.870 -8.249 1.00 4.24 ATOM 1217 CB GLN 82 48.939 4.618 -9.272 1.00 33.43 ATOM 1218 HB1 GLN 82 49.041 5.292 -10.116 1.00 37.20 ATOM 1219 HB2 GLN 82 49.492 3.715 -9.499 1.00 35.25 ATOM 1220 CG GLN 82 49.574 5.303 -8.073 1.00 23.22 ATOM 1221 HG1 GLN 82 48.812 5.789 -7.476 1.00 37.20 ATOM 1222 HG2 GLN 82 50.259 6.054 -8.441 1.00 73.42 ATOM 1223 CD GLN 82 50.360 4.343 -7.201 1.00 11.31 ATOM 1224 OE1 GLN 82 51.309 3.705 -7.658 1.00 54.43 ATOM 1225 NE2 GLN 82 49.968 4.236 -5.937 1.00 23.14 ATOM 1226 HE21 GLN 82 49.203 4.769 -5.623 1.00 43.21 ATOM 1227 HE22 GLN 82 50.464 3.620 -5.358 1.00 34.50 ATOM 1228 C GLN 82 46.673 4.608 -10.333 1.00 5.40 ATOM 1229 O GLN 82 46.886 4.007 -11.387 1.00 3.24 ATOM 1230 N THR 83 45.761 5.569 -10.221 1.00 5.22 ATOM 1231 HN THR 83 45.635 6.018 -9.351 1.00 37.20 ATOM 1232 CA THR 83 44.941 5.980 -11.353 1.00 33.21 ATOM 1233 HA THR 83 44.374 5.115 -11.679 1.00 12.34 ATOM 1234 CB THR 83 43.957 7.098 -10.958 1.00 23.32 ATOM 1235 HB THR 83 44.436 8.064 -11.085 1.00 15.43 ATOM 1236 OG1 THR 83 43.580 6.955 -9.584 1.00 2.23 ATOM 1237 HG1 THR 83 44.087 7.565 -9.041 1.00 31.14 ATOM 1238 CG2 THR 83 42.716 7.062 -11.836 1.00 73.40 ATOM 1239 HG21 THR 83 42.999 7.200 -12.870 1.00 41.52 ATOM 1240 HG22 THR 83 42.044 7.854 -11.539 1.00 3.21 ATOM 1241 HG23 THR 83 42.219 6.109 -11.723 1.00 52.10 ATOM 1242 C THR 83 45.805 6.465 -12.511 1.00 72.23 ATOM 1243 O THR 83 45.450 6.292 -13.677 1.00 61.15 ATOM 1244 N ARG 84 46.940 7.072 -12.183 1.00 23.04 ATOM 1245 HN ARG 84 47.167 7.189 -11.233 1.00 37.20 ATOM 1246 CA ARG 84 47.855 7.582 -13.197 1.00 1.54 ATOM 1247 HA ARG 84 47.368 8.404 -13.701 1.00 34.01 ATOM 1248 CB ARG 84 49.141 8.092 -12.544 1.00 23.14 ATOM 1249 HB1 ARG 84 49.773 8.514 -13.316 1.00 37.20 ATOM 1250 HB2 ARG 84 49.657 7.257 -12.085 1.00 52.33 ATOM 1251 CG ARG 84 48.905 9.143 -11.471 1.00 61.40 ATOM 1252 HG1 ARG 84 48.798 8.649 -10.517 1.00 37.20 ATOM 1253 HG2 ARG 84 48.002 9.697 -11.693 1.00 45.11 ATOM 1254 CD ARG 84 50.063 10.124 -11.388 1.00 44.32 ATOM 1255 HD1 ARG 84 50.986 9.563 -11.303 1.00 37.20 ATOM 1256 HD2 ARG 84 49.933 10.735 -10.506 1.00 44.32 ATOM 1257 NE ARG 84 50.128 10.995 -12.559 1.00 33.00 ATOM 1258 HE ARG 84 49.344 11.024 -13.156 1.00 51.43 ATOM 1259 CZ ARG 84 51.179 11.750 -12.857 1.00 25.24 ATOM 1260 NH1 ARG 84 52.249 11.740 -12.074 1.00 4.35 ATOM 1261 HH11 ARG 84 52.291 11.176 -11.252 1.00 43.23 ATOM 1262 HH12 ARG 84 53.038 12.311 -12.309 1.00 35.34 ATOM 1263 NH2 ARG 84 51.163 12.516 -13.940 1.00 34.02 ATOM 1264 HH21 ARG 84 50.358 12.528 -14.537 1.00 31.44 ATOM 1265 HH22 ARG 84 51.955 13.087 -14.166 1.00 23.32 ATOM 1266 C ARG 84 48.186 6.503 -14.223 1.00 50.12 ATOM 1267 O ARG 84 48.009 6.700 -15.424 1.00 52.14 ATOM 1268 N ASN 85 48.668 5.363 -13.740 1.00 62.54 ATOM 1269 HN ASN 85 48.784 5.263 -12.764 1.00 37.20 ATOM 1270 CA ASN 85 49.025 4.252 -14.616 1.00 41.20 ATOM 1271 HA ASN 85 49.729 4.615 -15.354 1.00 14.14 ATOM 1272 CB ASN 85 49.685 3.132 -13.810 1.00 64.21 ATOM 1273 HB1 ASN 85 49.875 2.283 -14.454 1.00 37.20 ATOM 1274 HB2 ASN 85 49.021 2.836 -13.016 1.00 35.44 ATOM 1275 CG ASN 85 51.002 3.563 -13.192 1.00 35.40 ATOM 1276 OD1 ASN 85 51.625 4.525 -13.640 1.00 61.22 ATOM 1277 ND2 ASN 85 51.430 2.850 -12.157 1.00 24.40 ATOM 1278 HD21 ASN 85 50.889 2.091 -11.841 1.00 44.21 ATOM 1279 HD22 ASN 85 52.279 3.112 -11.743 1.00 20.32 ATOM 1280 C ASN 85 47.795 3.715 -15.342 1.00 24.10 ATOM 1281 O ASN 85 47.854 3.389 -16.528 1.00 34.12 ATOM 1282 N LYS 86 46.682 3.626 -14.622 1.00 62.21 ATOM 1283 HN LYS 86 46.698 3.889 -13.672 1.00 37.20 ATOM 1284 CA LYS 86 45.437 3.130 -15.196 1.00 52.32 ATOM 1285 HA LYS 86 45.594 2.113 -15.492 1.00 20.14 ATOM 1286 CB LYS 86 44.311 3.202 -14.162 1.00 73.34 ATOM 1287 HB1 LYS 86 43.761 4.123 -14.292 1.00 37.20 ATOM 1288 HB2 LYS 86 44.745 3.200 -13.169 1.00 71.20 ATOM 1289 CG LYS 86 43.339 2.037 -14.240 1.00 54.25 ATOM 1290 HG1 LYS 86 43.882 1.120 -14.072 1.00 37.20 ATOM 1291 HG2 LYS 86 42.897 2.012 -15.227 1.00 35.45 ATOM 1292 CD LYS 86 42.241 2.156 -13.197 1.00 13.42 ATOM 1293 HD1 LYS 86 42.679 2.374 -12.232 1.00 37.20 ATOM 1294 HD2 LYS 86 41.711 1.217 -13.145 1.00 64.24 ATOM 1295 CE LYS 86 41.250 3.254 -13.553 1.00 74.32 ATOM 1296 HE1 LYS 86 40.683 2.941 -14.417 1.00 37.20 ATOM 1297 HE2 LYS 86 41.780 4.165 -13.783 1.00 4.22 ATOM 1298 NZ LYS 86 40.307 3.534 -12.435 1.00 75.13 ATOM 1299 HZ1 LYS 86 40.830 3.842 -11.589 1.00 11.12 ATOM 1300 HZ2 LYS 86 39.760 2.680 -12.200 1.00 40.42 ATOM 1301 HZ3 LYS 86 39.645 4.287 -12.711 1.00 63.21 ATOM 1302 C LYS 86 45.054 3.930 -16.437 1.00 54.21 ATOM 1303 O LYS 86 44.585 3.370 -17.428 1.00 51.45 ATOM 1304 N PHE 87 45.257 5.242 -16.376 1.00 41.01 ATOM 1305 HN PHE 87 45.629 5.637 -15.552 1.00 37.20 ATOM 1306 CA PHE 87 44.933 6.119 -17.495 1.00 62.24 ATOM 1307 HA PHE 87 43.894 5.952 -17.755 1.00 41.51 ATOM 1308 CB PHE 87 45.129 7.583 -17.097 1.00 13.11 ATOM 1309 HB1 PHE 87 46.111 7.926 -17.406 1.00 37.20 ATOM 1310 HB2 PHE 87 45.064 7.669 -16.018 1.00 20.34 ATOM 1311 CG PHE 87 44.095 8.505 -17.677 1.00 51.41 ATOM 1312 CD1 PHE 87 44.440 9.430 -18.650 1.00 20.03 ATOM 1313 HD1 PHE 87 45.464 9.487 -18.995 1.00 35.04 ATOM 1314 CD2 PHE 87 42.778 8.448 -17.250 1.00 60.54 ATOM 1315 HD2 PHE 87 42.493 7.732 -16.491 1.00 33.11 ATOM 1316 CE1 PHE 87 43.491 10.280 -19.185 1.00 12.34 ATOM 1317 HE1 PHE 87 43.773 10.997 -19.942 1.00 43.15 ATOM 1318 CE2 PHE 87 41.824 9.295 -17.782 1.00 3.11 ATOM 1319 HE2 PHE 87 40.801 9.240 -17.441 1.00 23.34 ATOM 1320 CZ PHE 87 42.181 10.212 -18.751 1.00 61.01 ATOM 1321 HZ PHE 87 41.438 10.876 -19.168 1.00 52.42 ATOM 1322 C PHE 87 45.796 5.791 -18.710 1.00 41.14 ATOM 1323 O PHE 87 45.283 5.544 -19.801 1.00 53.32 ATOM 1324 N ALA 88 47.110 5.791 -18.513 1.00 3.43 ATOM 1325 HN ALA 88 47.462 5.995 -17.613 1.00 37.20 ATOM 1326 CA ALA 88 48.045 5.493 -19.591 1.00 1.04 ATOM 1327 HA ALA 88 47.881 6.200 -20.383 1.00 40.41 ATOM 1328 CB ALA 88 49.478 5.665 -19.109 1.00 61.40 ATOM 1329 HB1 ALA 88 49.682 4.963 -18.317 1.00 41.40 ATOM 1330 HB2 ALA 88 49.609 6.670 -18.736 1.00 11.12 ATOM 1331 HB3 ALA 88 50.162 5.497 -19.929 1.00 11.40 ATOM 1332 C ALA 88 47.831 4.082 -20.128 1.00 51.11 ATOM 1333 O ALA 88 48.137 3.795 -21.286 1.00 32.15 ATOM 1334 N PHE 89 47.304 3.205 -19.280 1.00 64.43 ATOM 1335 HN PHE 89 47.101 3.473 -18.356 1.00 37.20 ATOM 1336 CA PHE 89 47.051 1.822 -19.670 1.00 50.40 ATOM 1337 HA PHE 89 47.887 1.483 -20.273 1.00 33.11 ATOM 1338 CB PHE 89 46.938 0.933 -18.430 1.00 40.10 ATOM 1339 HB1 PHE 89 45.945 1.024 -18.001 1.00 37.20 ATOM 1340 HB2 PHE 89 47.658 1.268 -17.695 1.00 43.54 ATOM 1341 CG PHE 89 47.211 -0.518 -18.706 1.00 53.11 ATOM 1342 CD1 PHE 89 46.169 -1.397 -18.955 1.00 21.12 ATOM 1343 HD1 PHE 89 45.152 -1.031 -18.955 1.00 44.52 ATOM 1344 CD2 PHE 89 48.509 -1.003 -18.716 1.00 53.34 ATOM 1345 HD2 PHE 89 49.327 -0.334 -18.521 1.00 53.25 ATOM 1346 CE1 PHE 89 46.417 -2.733 -19.210 1.00 14.14 ATOM 1347 HE1 PHE 89 45.610 -3.384 -19.386 1.00 62.32 ATOM 1348 CE2 PHE 89 48.762 -2.337 -18.971 1.00 62.30 ATOM 1349 HE2 PHE 89 49.767 -2.702 -18.990 1.00 2.03 ATOM 1350 CZ PHE 89 47.715 -3.204 -19.217 1.00 11.33 ATOM 1351 HZ PHE 89 47.908 -4.224 -19.421 1.00 45.42 ATOM 1352 C PHE 89 45.777 1.717 -20.503 1.00 51.11 ATOM 1353 O PHE 89 45.784 1.157 -21.599 1.00 51.04 ATOM 1354 N ARG 90 44.685 2.259 -19.974 1.00 52.01 ATOM 1355 HN ARG 90 44.745 2.700 -19.095 1.00 37.20 ATOM 1356 CA ARG 90 43.402 2.225 -20.667 1.00 65.20 ATOM 1357 HA ARG 90 43.187 1.203 -20.929 1.00 12.04 ATOM 1358 CB ARG 90 42.295 2.766 -19.761 1.00 53.04 ATOM 1359 HB1 ARG 90 41.448 3.079 -20.364 1.00 37.20 ATOM 1360 HB2 ARG 90 42.673 3.628 -19.228 1.00 44.12 ATOM 1361 CG ARG 90 41.802 1.760 -18.734 1.00 71.12 ATOM 1362 HG1 ARG 90 41.243 2.288 -17.975 1.00 37.20 ATOM 1363 HG2 ARG 90 42.646 1.289 -18.285 1.00 4.31 ATOM 1364 CD ARG 90 40.898 0.714 -19.368 1.00 14.32 ATOM 1365 HD1 ARG 90 40.344 1.155 -20.189 1.00 37.20 ATOM 1366 HD2 ARG 90 40.200 0.371 -18.618 1.00 2.21 ATOM 1367 NE ARG 90 41.652 -0.434 -19.862 1.00 71.34 ATOM 1368 HE ARG 90 42.628 -0.440 -19.728 1.00 40.22 ATOM 1369 CZ ARG 90 41.092 -1.474 -20.470 1.00 63.51 ATOM 1370 NH1 ARG 90 39.780 -1.510 -20.658 1.00 2.23 ATOM 1371 HH11 ARG 90 39.190 -0.764 -20.350 1.00 3.43 ATOM 1372 HH12 ARG 90 39.366 -2.299 -21.118 1.00 5.33 ATOM 1373 NH2 ARG 90 41.846 -2.482 -20.892 1.00 54.02 ATOM 1374 HH21 ARG 90 42.837 -2.463 -20.753 1.00 1.32 ATOM 1375 HH22 ARG 90 41.425 -3.269 -21.348 1.00 74.32 ATOM 1376 C ARG 90 43.460 3.036 -21.958 1.00 44.01 ATOM 1377 O ARG 90 42.990 2.589 -23.004 1.00 4.51 ATOM 1378 N GLU 91 44.039 4.230 -21.876 1.00 25.25 ATOM 1379 HN GLU 91 44.387 4.540 -21.008 1.00 37.20 ATOM 1380 CA GLU 91 44.157 5.103 -23.037 1.00 40.14 ATOM 1381 HA GLU 91 43.160 5.368 -23.359 1.00 30.13 ATOM 1382 CB GLU 91 44.912 6.382 -22.668 1.00 20.41 ATOM 1383 HB1 GLU 91 44.609 6.701 -21.685 1.00 37.20 ATOM 1384 HB2 GLU 91 44.636 7.156 -23.373 1.00 23.31 ATOM 1385 CG GLU 91 46.423 6.221 -22.679 1.00 51.15 ATOM 1386 HG1 GLU 91 46.697 5.231 -22.378 1.00 37.20 ATOM 1387 HG2 GLU 91 46.830 6.928 -21.974 1.00 3.13 ATOM 1388 CD GLU 91 47.032 6.526 -24.034 1.00 53.53 ATOM 1389 OE1 GLU 91 47.633 5.612 -24.635 1.00 74.42 ATOM 1390 OE2 GLU 91 46.907 7.681 -24.493 1.00 54.25 ATOM 1391 C GLU 91 44.870 4.391 -24.183 1.00 45.12 ATOM 1392 O GLU 91 44.632 4.684 -25.354 1.00 73.23 ATOM 1393 N ALA 92 45.748 3.455 -23.836 1.00 14.24 ATOM 1394 HN ALA 92 45.927 3.272 -22.886 1.00 37.20 ATOM 1395 CA ALA 92 46.495 2.700 -24.834 1.00 0.33 ATOM 1396 HA ALA 92 46.735 3.360 -25.661 1.00 63.11 ATOM 1397 CB ALA 92 47.807 2.202 -24.245 1.00 74.23 ATOM 1398 HB1 ALA 92 47.612 1.468 -23.480 1.00 71.11 ATOM 1399 HB2 ALA 92 48.337 3.037 -23.809 1.00 55.43 ATOM 1400 HB3 ALA 92 48.405 1.774 -25.029 1.00 5.33 ATOM 1401 C ALA 92 45.674 1.531 -25.366 1.00 74.01 ATOM 1402 O ALA 92 45.578 1.326 -26.576 1.00 51.53 ATOM 1403 N VAL 93 45.082 0.765 -24.454 1.00 45.34 ATOM 1404 HN VAL 93 45.180 0.996 -23.501 1.00 37.20 ATOM 1405 CA VAL 93 44.269 -0.384 -24.832 1.00 53.15 ATOM 1406 HA VAL 93 44.917 -1.103 -25.307 1.00 22.43 ATOM 1407 CB VAL 93 43.630 -1.049 -23.599 1.00 74.21 ATOM 1408 HB VAL 93 42.977 -0.332 -23.119 1.00 14.52 ATOM 1409 CG1 VAL 93 42.793 -2.250 -24.013 1.00 53.04 ATOM 1410 HG11 VAL 93 42.600 -2.884 -23.165 1.00 54.51 ATOM 1411 HG12 VAL 93 43.317 -2.825 -24.765 1.00 44.42 ATOM 1412 HG13 VAL 93 41.851 -1.909 -24.418 1.00 55.15 ATOM 1413 CG2 VAL 93 44.701 -1.455 -22.598 1.00 71.43 ATOM 1414 HG21 VAL 93 44.875 -2.520 -22.654 1.00 71.33 ATOM 1415 HG22 VAL 93 44.369 -1.205 -21.604 1.00 42.31 ATOM 1416 HG23 VAL 93 45.633 -0.946 -22.790 1.00 3.35 ATOM 1417 C VAL 93 43.167 0.019 -25.807 1.00 4.34 ATOM 1418 O VAL 93 42.809 -0.743 -26.704 1.00 54.00 ATOM 1419 N SER 94 42.635 1.223 -25.624 1.00 12.33 ATOM 1420 HN SER 94 42.945 1.786 -24.876 1.00 37.20 ATOM 1421 CA SER 94 41.571 1.727 -26.485 1.00 3.54 ATOM 1422 HA SER 94 40.686 1.135 -26.302 1.00 35.44 ATOM 1423 CB SER 94 41.267 3.190 -26.153 1.00 25.35 ATOM 1424 HB1 SER 94 42.165 3.780 -26.272 1.00 37.20 ATOM 1425 HB2 SER 94 40.925 3.260 -25.131 1.00 41.21 ATOM 1426 OG SER 94 40.260 3.707 -27.004 1.00 42.43 ATOM 1427 HG SER 94 40.658 4.040 -27.813 1.00 75.35 ATOM 1428 C SER 94 41.955 1.597 -27.955 1.00 43.34 ATOM 1429 O SER 94 41.157 1.153 -28.781 1.00 25.41 ATOM 1430 N LYS 95 43.184 1.989 -28.276 1.00 72.14 ATOM 1431 HN LYS 95 43.789 2.313 -27.570 1.00 37.20 ATOM 1432 CA LYS 95 43.677 1.916 -29.647 1.00 1.15 ATOM 1433 HA LYS 95 42.869 2.176 -30.317 1.00 21.34 ATOM 1434 CB LYS 95 44.818 2.915 -29.853 1.00 61.33 ATOM 1435 HB1 LYS 95 45.168 2.833 -30.875 1.00 37.20 ATOM 1436 HB2 LYS 95 45.636 2.659 -29.191 1.00 51.23 ATOM 1437 CG LYS 95 44.412 4.359 -29.620 1.00 13.53 ATOM 1438 HG1 LYS 95 43.347 4.473 -29.784 1.00 37.20 ATOM 1439 HG2 LYS 95 44.944 4.965 -30.334 1.00 64.22 ATOM 1440 CD LYS 95 44.747 4.812 -28.208 1.00 61.24 ATOM 1441 HD1 LYS 95 45.713 4.422 -27.911 1.00 37.20 ATOM 1442 HD2 LYS 95 43.985 4.440 -27.548 1.00 35.32 ATOM 1443 CE LYS 95 44.779 6.329 -28.102 1.00 63.31 ATOM 1444 HE1 LYS 95 45.015 6.599 -27.083 1.00 37.20 ATOM 1445 HE2 LYS 95 43.805 6.720 -28.360 1.00 64.43 ATOM 1446 NZ LYS 95 45.798 6.927 -29.009 1.00 22.33 ATOM 1447 HZ1 LYS 95 46.693 6.393 -28.967 1.00 71.24 ATOM 1448 HZ2 LYS 95 45.988 7.908 -28.723 1.00 55.30 ATOM 1449 HZ3 LYS 95 45.452 6.933 -29.988 1.00 62.32 ATOM 1450 C LYS 95 44.155 0.506 -29.978 1.00 40.14 ATOM 1451 O LYS 95 44.052 0.058 -31.121 1.00 62.40 ATOM 1452 N LEU 96 44.676 -0.189 -28.973 1.00 43.24 ATOM 1453 HN LEU 96 44.755 0.225 -28.082 1.00 37.20 ATOM 1454 CA LEU 96 45.169 -1.549 -29.158 1.00 72.53 ATOM 1455 HA LEU 96 46.003 -1.512 -29.845 1.00 62.13 ATOM 1456 CB LEU 96 45.652 -2.124 -27.825 1.00 55.23 ATOM 1457 HB1 LEU 96 44.856 -1.981 -27.114 1.00 37.20 ATOM 1458 HB2 LEU 96 46.502 -1.547 -27.503 1.00 65.34 ATOM 1459 CG LEU 96 46.025 -3.606 -27.829 1.00 62.51 ATOM 1460 HG LEU 96 45.243 -4.182 -28.298 1.00 31.21 ATOM 1461 CD1 LEU 96 47.305 -3.832 -28.619 1.00 72.42 ATOM 1462 HD11 LEU 96 48.121 -3.295 -28.155 1.00 0.43 ATOM 1463 HD12 LEU 96 47.173 -3.477 -29.631 1.00 60.31 ATOM 1464 HD13 LEU 96 47.537 -4.888 -28.640 1.00 72.22 ATOM 1465 CD2 LEU 96 46.177 -4.122 -26.405 1.00 41.14 ATOM 1466 HD21 LEU 96 47.213 -4.105 -26.100 1.00 43.11 ATOM 1467 HD22 LEU 96 45.817 -5.136 -26.365 1.00 33.00 ATOM 1468 HD23 LEU 96 45.593 -3.521 -25.718 1.00 70.12 ATOM 1469 C LEU 96 44.085 -2.446 -29.748 1.00 55.43 ATOM 1470 O LEU 96 44.334 -3.201 -30.687 1.00 30.43 ATOM 1471 N GLU 97 42.880 -2.353 -29.193 1.00 24.35 ATOM 1472 HN GLU 97 42.752 -1.736 -28.437 1.00 37.20 ATOM 1473 CA GLU 97 41.758 -3.155 -29.665 1.00 61.24 ATOM 1474 HA GLU 97 42.093 -4.179 -29.779 1.00 74.35 ATOM 1475 CB GLU 97 40.617 -3.126 -28.647 1.00 31.55 ATOM 1476 HB1 GLU 97 40.922 -3.645 -27.781 1.00 37.20 ATOM 1477 HB2 GLU 97 39.765 -3.645 -29.066 1.00 72.34 ATOM 1478 CG GLU 97 40.208 -1.724 -28.230 1.00 3.43 ATOM 1479 HG1 GLU 97 40.494 -1.017 -28.977 1.00 37.20 ATOM 1480 HG2 GLU 97 40.701 -1.486 -27.307 1.00 52.34 ATOM 1481 CD GLU 97 38.714 -1.593 -28.008 1.00 52.25 ATOM 1482 OE1 GLU 97 37.944 -2.145 -28.822 1.00 53.22 ATOM 1483 OE2 GLU 97 38.314 -0.939 -27.023 1.00 4.24 ATOM 1484 C GLU 97 41.261 -2.651 -31.017 1.00 74.11 ATOM 1485 O GLU 97 40.765 -3.425 -31.837 1.00 62.23 ATOM 1486 N LEU 98 41.395 -1.349 -31.242 1.00 43.21 ATOM 1487 HN LEU 98 41.802 -0.774 -30.558 1.00 37.20 ATOM 1488 CA LEU 98 40.959 -0.740 -32.494 1.00 4.52 ATOM 1489 HA LEU 98 39.964 -1.069 -32.690 1.00 75.12 ATOM 1490 CB LEU 98 40.965 0.785 -32.371 1.00 11.22 ATOM 1491 HB1 LEU 98 41.125 1.219 -33.354 1.00 37.20 ATOM 1492 HB2 LEU 98 41.806 1.061 -31.752 1.00 42.05 ATOM 1493 CG LEU 98 39.702 1.416 -31.783 1.00 73.34 ATOM 1494 HG LEU 98 39.442 0.903 -30.868 1.00 54.50 ATOM 1495 CD1 LEU 98 39.943 2.879 -31.447 1.00 14.03 ATOM 1496 HD11 LEU 98 40.197 3.424 -32.346 1.00 71.24 ATOM 1497 HD12 LEU 98 40.755 2.959 -30.738 1.00 4.21 ATOM 1498 HD13 LEU 98 39.049 3.304 -31.011 1.00 73.52 ATOM 1499 CD2 LEU 98 38.536 1.274 -32.751 1.00 14.04 ATOM 1500 HD21 LEU 98 38.738 1.843 -33.649 1.00 11.42 ATOM 1501 HD22 LEU 98 37.634 1.645 -32.288 1.00 54.25 ATOM 1502 HD23 LEU 98 38.403 0.250 -33.007 1.00 41.54 ATOM 1503 C LEU 98 41.855 -1.171 -33.650 1.00 64.04 ATOM 1504 O LEU 98 41.379 -1.423 -34.757 1.00 60.02 ATOM 1505 N SER 99 43.155 -1.256 -33.386 1.00 1.14 ATOM 1506 HN SER 99 43.482 -1.037 -32.483 1.00 37.20 ATOM 1507 CA SER 99 44.118 -1.656 -34.405 1.00 4.33 ATOM 1508 HA SER 99 43.981 -1.034 -35.258 1.00 3.05 ATOM 1509 CB SER 99 45.546 -1.452 -33.895 1.00 24.22 ATOM 1510 HB1 SER 99 46.204 -2.172 -34.353 1.00 37.20 ATOM 1511 HB2 SER 99 45.578 -1.576 -32.822 1.00 65.53 ATOM 1512 OG SER 99 46.023 -0.157 -34.217 1.00 22.12 ATOM 1513 HG SER 99 46.961 -0.102 -34.018 1.00 20.01 ATOM 1514 C SER 99 43.912 -3.113 -34.805 1.00 62.42 ATOM 1515 O SER 99 44.174 -3.499 -35.945 1.00 62.42 ATOM 1516 N LEU 100 43.441 -3.919 -33.860 1.00 1.23 ATOM 1517 HN LEU 100 43.253 -3.563 -32.961 1.00 37.20 ATOM 1518 CA LEU 100 43.199 -5.335 -34.112 1.00 72.10 ATOM 1519 HA LEU 100 44.013 -5.722 -34.715 1.00 53.15 ATOM 1520 CB LEU 100 43.156 -6.108 -32.793 1.00 34.32 ATOM 1521 HB1 LEU 100 42.697 -7.077 -32.969 1.00 37.20 ATOM 1522 HB2 LEU 100 42.511 -5.555 -32.119 1.00 1.35 ATOM 1523 CG LEU 100 44.501 -6.334 -32.103 1.00 64.40 ATOM 1524 HG LEU 100 45.103 -5.448 -32.199 1.00 64.23 ATOM 1525 CD1 LEU 100 44.303 -6.598 -30.618 1.00 53.24 ATOM 1526 HD11 LEU 100 43.820 -5.745 -30.162 1.00 31.34 ATOM 1527 HD12 LEU 100 45.262 -6.756 -30.145 1.00 72.44 ATOM 1528 HD13 LEU 100 43.684 -7.474 -30.483 1.00 13.23 ATOM 1529 CD2 LEU 100 45.248 -7.488 -32.756 1.00 63.20 ATOM 1530 HD21 LEU 100 45.197 -7.400 -33.834 1.00 50.35 ATOM 1531 HD22 LEU 100 44.811 -8.428 -32.451 1.00 14.21 ATOM 1532 HD23 LEU 100 46.283 -7.457 -32.451 1.00 53.04 ATOM 1533 C LEU 100 41.894 -5.537 -34.876 1.00 11.33 ATOM 1534 O LEU 100 41.863 -6.218 -35.900 1.00 32.31 ATOM 1535 N GLN 101 40.820 -4.938 -34.371 1.00 2.31 ATOM 1536 HN GLN 101 40.909 -4.403 -33.546 1.00 37.20 ATOM 1537 CA GLN 101 39.513 -5.051 -35.007 1.00 41.21 ATOM 1538 HA GLN 101 39.268 -6.090 -35.075 1.00 24.35 ATOM 1539 CB GLN 101 38.446 -4.364 -34.153 1.00 73.12 ATOM 1540 HB1 GLN 101 38.550 -4.706 -33.132 1.00 37.20 ATOM 1541 HB2 GLN 101 37.471 -4.648 -34.521 1.00 13.10 ATOM 1542 CG GLN 101 38.538 -2.847 -34.168 1.00 40.23 ATOM 1543 HG1 GLN 101 38.274 -2.485 -35.151 1.00 37.20 ATOM 1544 HG2 GLN 101 39.545 -2.576 -33.949 1.00 3.41 ATOM 1545 CD GLN 101 37.631 -2.197 -33.142 1.00 54.35 ATOM 1546 OE1 GLN 101 37.800 -2.387 -31.938 1.00 11.12 ATOM 1547 NE2 GLN 101 36.660 -1.424 -33.616 1.00 2.44 ATOM 1548 HE21 GLN 101 36.569 -1.306 -34.588 1.00 12.13 ATOM 1549 HE22 GLN 101 36.064 -0.995 -32.967 1.00 54.32 ATOM 1550 C GLN 101 39.533 -4.441 -36.405 1.00 2.33 ATOM 1551 O GLN 101 38.850 -4.918 -37.310 1.00 23.31 ATOM 1552 N GLU 102 40.320 -3.383 -36.572 1.00 5.41 ATOM 1553 HN GLU 102 40.843 -3.036 -35.812 1.00 37.20 ATOM 1554 CA GLU 102 40.428 -2.707 -37.860 1.00 33.03 ATOM 1555 HA GLU 102 39.443 -2.651 -38.299 1.00 1.02 ATOM 1556 CB GLU 102 40.947 -1.280 -37.671 1.00 21.25 ATOM 1557 HB1 GLU 102 40.440 -0.828 -36.833 1.00 37.20 ATOM 1558 HB2 GLU 102 40.716 -0.713 -38.562 1.00 72.05 ATOM 1559 CG GLU 102 42.447 -1.204 -37.442 1.00 3.02 ATOM 1560 HG1 GLU 102 42.957 -1.558 -38.326 1.00 37.20 ATOM 1561 HG2 GLU 102 42.693 -1.823 -36.629 1.00 43.32 ATOM 1562 CD GLU 102 42.925 0.209 -37.169 1.00 52.35 ATOM 1563 OE1 GLU 102 42.308 0.892 -36.326 1.00 11.33 ATOM 1564 OE2 GLU 102 43.916 0.632 -37.801 1.00 22.33 ATOM 1565 C GLU 102 41.350 -3.475 -38.802 1.00 22.11 ATOM 1566 O GLU 102 41.209 -3.403 -40.023 1.00 50.54 ATOM 1567 N LEU 103 42.295 -4.210 -38.226 1.00 20.10 ATOM 1568 HN LEU 103 42.375 -4.225 -37.246 1.00 37.20 ATOM 1569 CA LEU 103 43.242 -4.992 -39.013 1.00 62.01 ATOM 1570 HA LEU 103 43.553 -4.399 -39.865 1.00 75.52 ATOM 1571 CB LEU 103 44.478 -5.326 -38.176 1.00 31.23 ATOM 1572 HB1 LEU 103 44.148 -5.621 -37.189 1.00 37.20 ATOM 1573 HB2 LEU 103 45.063 -4.437 -38.087 1.00 43.51 ATOM 1574 CG LEU 103 45.378 -6.435 -38.721 1.00 65.20 ATOM 1575 HG LEU 103 44.846 -7.375 -38.699 1.00 25.34 ATOM 1576 CD1 LEU 103 45.767 -6.147 -40.163 1.00 12.22 ATOM 1577 HD11 LEU 103 45.920 -5.084 -40.304 1.00 71.12 ATOM 1578 HD12 LEU 103 44.999 -6.486 -40.827 1.00 24.43 ATOM 1579 HD13 LEU 103 46.685 -6.663 -40.409 1.00 11.04 ATOM 1580 CD2 LEU 103 46.619 -6.590 -37.853 1.00 40.23 ATOM 1581 HD21 LEU 103 46.325 -6.822 -36.839 1.00 34.11 ATOM 1582 HD22 LEU 103 47.187 -5.670 -37.860 1.00 1.12 ATOM 1583 HD23 LEU 103 47.233 -7.393 -38.238 1.00 25.30 ATOM 1584 C LEU 103 42.597 -6.277 -39.523 1.00 12.40 ATOM 1585 O LEU 103 42.839 -6.697 -40.654 1.00 53.31 ATOM 1586 N GLN 104 41.774 -6.894 -38.681 1.00 53.43 ATOM 1587 HN GLN 104 41.651 -6.526 -37.778 1.00 37.20 ATOM 1588 CA GLN 104 41.092 -8.129 -39.048 1.00 64.52 ATOM 1589 HA GLN 104 41.836 -8.840 -39.384 1.00 24.34 ATOM 1590 CB GLN 104 40.368 -8.716 -37.836 1.00 32.54 ATOM 1591 HB1 GLN 104 41.101 -8.959 -37.081 1.00 37.20 ATOM 1592 HB2 GLN 104 39.861 -9.626 -38.134 1.00 11.12 ATOM 1593 CG GLN 104 39.349 -7.771 -37.219 1.00 70.45 ATOM 1594 HG1 GLN 104 38.670 -7.430 -37.976 1.00 37.20 ATOM 1595 HG2 GLN 104 39.875 -6.956 -36.818 1.00 63.23 ATOM 1596 CD GLN 104 38.546 -8.422 -36.110 1.00 52.23 ATOM 1597 OE1 GLN 104 37.358 -8.702 -36.271 1.00 14.02 ATOM 1598 NE2 GLN 104 39.192 -8.666 -34.976 1.00 51.11 ATOM 1599 HE21 GLN 104 40.142 -8.420 -34.903 1.00 20.44 ATOM 1600 HE22 GLN 104 38.690 -9.087 -34.247 1.00 41.35 ATOM 1601 C GLN 104 40.100 -7.888 -40.181 1.00 31.42 ATOM 1602 O GLN 104 39.695 -8.821 -40.875 1.00 22.34 ATOM 1603 N VAL 105 39.711 -6.630 -40.362 1.00 71.35 ATOM 1604 HN VAL 105 40.036 -5.933 -39.766 1.00 37.20 ATOM 1605 CA VAL 105 38.766 -6.266 -41.412 1.00 21.15 ATOM 1606 HA VAL 105 38.279 -7.161 -41.786 1.00 64.12 ATOM 1607 CB VAL 105 37.671 -5.323 -40.878 1.00 62.21 ATOM 1608 HB VAL 105 37.022 -5.041 -41.698 1.00 0.23 ATOM 1609 CG1 VAL 105 36.820 -6.030 -39.834 1.00 53.15 ATOM 1610 HG11 VAL 105 35.993 -5.393 -39.555 1.00 43.11 ATOM 1611 HG12 VAL 105 37.413 -6.241 -38.963 1.00 64.11 ATOM 1612 HG13 VAL 105 36.434 -6.955 -40.240 1.00 44.50 ATOM 1613 CG2 VAL 105 38.291 -4.058 -40.304 1.00 62.15 ATOM 1614 HG21 VAL 105 37.511 -3.435 -39.885 1.00 50.22 ATOM 1615 HG22 VAL 105 38.795 -3.503 -41.076 1.00 1.11 ATOM 1616 HG23 VAL 105 38.979 -4.313 -39.537 1.00 74.44 ATOM 1617 C VAL 105 39.476 -5.593 -42.581 1.00 11.22 ATOM 1618 O VAL 105 39.097 -5.774 -43.738 1.00 11.02 ATOM 1619 N SER 106 40.508 -4.815 -42.271 1.00 23.23 ATOM 1620 HN SER 106 40.776 -4.701 -41.332 1.00 37.20 ATOM 1621 CA SER 106 41.270 -4.111 -43.296 1.00 21.42 ATOM 1622 HA SER 106 40.655 -3.998 -44.181 1.00 32.33 ATOM 1623 CB SER 106 41.660 -2.716 -42.804 1.00 21.34 ATOM 1624 HB1 SER 106 42.479 -2.784 -42.100 1.00 37.20 ATOM 1625 HB2 SER 106 40.810 -2.261 -42.316 1.00 62.31 ATOM 1626 OG SER 106 42.051 -1.886 -43.883 1.00 5.31 ATOM 1627 HG SER 106 42.432 -1.074 -43.541 1.00 14.34 ATOM 1628 C SER 106 42.521 -4.896 -43.678 1.00 23.52 ATOM 1629 O SER 106 43.452 -4.352 -44.272 1.00 10.04 ATOM 1630 N SER 107 42.535 -6.180 -43.332 1.00 44.12 ATOM 1631 HN SER 107 41.773 -6.578 -42.873 1.00 37.20 ATOM 1632 CA SER 107 43.673 -7.040 -43.635 1.00 21.52 ATOM 1633 HA SER 107 44.569 -6.564 -43.257 1.00 53.21 ATOM 1634 CB SER 107 43.511 -8.397 -42.946 1.00 53.02 ATOM 1635 HB1 SER 107 43.954 -8.358 -41.964 1.00 37.20 ATOM 1636 HB2 SER 107 43.998 -9.169 -43.524 1.00 62.13 ATOM 1637 OG SER 107 42.143 -8.743 -42.818 1.00 34.14 ATOM 1638 HG SER 107 42.057 -9.497 -42.230 1.00 71.23 ATOM 1639 C SER 107 43.821 -7.236 -45.141 1.00 31.24 ATOM 1640 O SER 107 44.712 -6.664 -45.767 1.00 52.34 ATOM 1641 N ALA 108 42.940 -8.050 -45.714 1.00 43.44 ATOM 1642 HN ALA 108 42.229 -8.469 -45.181 1.00 37.20 ATOM 1643 CA ALA 108 42.970 -8.320 -47.146 1.00 65.23 ATOM 1644 HA ALA 108 42.273 -9.120 -47.348 1.00 20.24 ATOM 1645 CB ALA 108 42.521 -7.093 -47.925 1.00 3.40 ATOM 1646 HB1 ALA 108 42.491 -7.323 -48.981 1.00 53.23 ATOM 1647 HB2 ALA 108 43.211 -6.279 -47.752 1.00 42.45 ATOM 1648 HB3 ALA 108 41.535 -6.802 -47.595 1.00 1.23 ATOM 1649 C ALA 108 44.362 -8.753 -47.594 1.00 45.01 ATOM 1650 O ALA 108 44.762 -8.510 -48.732 1.00 61.03 ATOM 1651 N ALA 109 45.097 -9.395 -46.691 1.00 54.40 ATOM 1652 HN ALA 109 44.725 -9.604 -45.805 1.00 37.20 ATOM 1653 CA ALA 109 46.444 -9.862 -46.994 1.00 74.10 ATOM 1654 HA ALA 109 46.566 -9.920 -48.071 1.00 23.33 ATOM 1655 CB ALA 109 47.476 -8.877 -46.465 1.00 34.55 ATOM 1656 HB1 ALA 109 47.406 -8.820 -45.388 1.00 63.44 ATOM 1657 HB2 ALA 109 47.288 -7.901 -46.887 1.00 60.04 ATOM 1658 HB3 ALA 109 48.468 -9.203 -46.746 1.00 51.21 ATOM 1659 C ALA 109 46.687 -11.250 -46.412 1.00 32.41 ATOM 1660 O ALA 109 46.090 -11.624 -45.403 1.00 14.02 ATOM 1661 N ALA 110 47.567 -12.011 -47.055 1.00 12.20 ATOM 1662 HN ALA 110 48.027 -11.654 -47.852 1.00 37.20 ATOM 1663 CA ALA 110 47.889 -13.357 -46.600 1.00 25.42 ATOM 1664 HA ALA 110 47.067 -13.738 -46.004 1.00 12.23 ATOM 1665 CB ALA 110 48.058 -14.290 -47.790 1.00 23.42 ATOM 1666 HB1 ALA 110 47.157 -14.276 -48.386 1.00 15.23 ATOM 1667 HB2 ALA 110 48.240 -15.297 -47.441 1.00 15.45 ATOM 1668 HB3 ALA 110 48.892 -13.962 -48.395 1.00 35.13 ATOM 1669 C ALA 110 49.149 -13.359 -45.741 1.00 23.43 ATOM 1670 O ALA 110 50.078 -14.129 -45.985 1.00 13.23 ATOM 1671 N GLY 111 49.175 -12.492 -44.733 1.00 52.45 ATOM 1672 HN GLY 111 48.408 -11.910 -44.560 1.00 37.20 ATOM 1673 CA GLY 111 50.326 -12.409 -43.854 1.00 62.50 ATOM 1674 HA1 GLY 111 50.594 -13.402 -43.517 1.00 37.20 ATOM 1675 HA2 GLY 111 50.063 -11.810 -42.995 1.00 61.21 ATOM 1676 C GLY 111 51.530 -11.784 -44.531 1.00 74.23 ATOM 1677 O GLY 111 52.566 -12.429 -44.691 1.00 1.12 ATOM 1678 N VAL 112 51.393 -10.524 -44.933 1.00 34.43 ATOM 1679 HN VAL 112 50.543 -10.050 -44.771 1.00 37.20 ATOM 1680 CA VAL 112 52.477 -9.812 -45.597 1.00 51.54 ATOM 1681 HA VAL 112 53.160 -10.551 -45.993 1.00 44.31 ATOM 1682 CB VAL 112 51.957 -8.982 -46.787 1.00 25.50 ATOM 1683 HB VAL 112 51.263 -8.246 -46.413 1.00 72.13 ATOM 1684 CG1 VAL 112 53.105 -8.261 -47.477 1.00 1.33 ATOM 1685 HG11 VAL 112 53.632 -7.626 -46.782 1.00 62.33 ATOM 1686 HG12 VAL 112 52.708 -7.647 -48.273 1.00 31.03 ATOM 1687 HG13 VAL 112 53.786 -8.982 -47.900 1.00 44.32 ATOM 1688 CG2 VAL 112 51.209 -9.871 -47.769 1.00 32.23 ATOM 1689 HG21 VAL 112 50.853 -9.276 -48.599 1.00 11.32 ATOM 1690 HG22 VAL 112 50.365 -10.330 -47.275 1.00 1.53 ATOM 1691 HG23 VAL 112 51.870 -10.642 -48.140 1.00 21.53 ATOM 1692 C VAL 112 53.203 -8.887 -44.627 1.00 23.34 ATOM 1693 O VAL 112 52.589 -8.139 -43.866 1.00 24.24 ATOM 1694 N PRO 113 54.543 -8.938 -44.652 1.00 25.00 ATOM 1695 CA PRO 113 55.384 -8.111 -43.781 1.00 15.12 ATOM 1696 HA PRO 113 55.111 -8.235 -42.741 1.00 11.10 ATOM 1697 CB PRO 113 56.789 -8.674 -44.005 1.00 22.03 ATOM 1698 HB1 PRO 113 57.001 -9.411 -43.253 1.00 37.20 ATOM 1699 HB2 PRO 113 57.531 -7.886 -43.951 1.00 52.54 ATOM 1700 CG PRO 113 56.741 -9.283 -45.363 1.00 62.24 ATOM 1701 HG1 PRO 113 57.454 -10.092 -45.428 1.00 37.20 ATOM 1702 HG2 PRO 113 56.954 -8.532 -46.110 1.00 35.32 ATOM 1703 CD PRO 113 55.342 -9.806 -45.533 1.00 72.45 ATOM 1704 HD1 PRO 113 55.286 -10.836 -45.211 1.00 37.20 ATOM 1705 HD2 PRO 113 55.050 -9.722 -46.556 1.00 53.31 ATOM 1706 C PRO 113 55.335 -6.635 -44.160 1.00 15.32 ATOM 1707 O PRO 113 55.623 -6.266 -45.297 1.00 50.15 ATOM 1708 N GLY 114 54.967 -5.793 -43.198 1.00 25.10 ATOM 1709 HN GLY 114 54.744 -6.133 -42.302 1.00 37.20 ATOM 1710 CA GLY 114 54.888 -4.366 -43.451 1.00 71.42 ATOM 1711 HA1 GLY 114 55.886 -3.982 -43.607 1.00 37.20 ATOM 1712 HA2 GLY 114 54.459 -3.882 -42.586 1.00 24.52 ATOM 1713 C GLY 114 54.041 -4.039 -44.665 1.00 35.23 ATOM 1714 O GLY 114 54.514 -3.408 -45.611 1.00 34.53 ATOM 1715 N THR 115 52.783 -4.470 -44.640 1.00 60.22 ATOM 1716 HN THR 115 52.464 -4.960 -43.852 1.00 37.20 ATOM 1717 CA THR 115 51.868 -4.222 -45.748 1.00 25.25 ATOM 1718 HA THR 115 52.439 -3.971 -46.635 1.00 61.44 ATOM 1719 CB THR 115 51.031 -5.473 -46.075 1.00 50.22 ATOM 1720 HB THR 115 51.705 -6.271 -46.314 1.00 13.45 ATOM 1721 OG1 THR 115 50.184 -5.214 -47.201 1.00 22.24 ATOM 1722 HG1 THR 115 50.690 -5.305 -48.013 1.00 34.22 ATOM 1723 CG2 THR 115 50.184 -5.885 -44.881 1.00 31.02 ATOM 1724 HG21 THR 115 49.562 -5.075 -44.543 1.00 53.34 ATOM 1725 HG22 THR 115 50.827 -6.213 -44.089 1.00 24.11 ATOM 1726 HG23 THR 115 49.552 -6.710 -45.176 1.00 73.44 ATOM 1727 C THR 115 50.929 -3.063 -45.436 1.00 1.13 ATOM 1728 O THR 115 50.506 -2.336 -46.333 1.00 43.24 ATOM 1729 N ASN 116 50.607 -2.896 -44.157 1.00 50.21 ATOM 1730 HN ASN 116 50.949 -3.499 -43.492 1.00 37.20 ATOM 1731 CA ASN 116 49.717 -1.823 -43.727 1.00 31.50 ATOM 1732 HA ASN 116 49.635 -1.105 -44.534 1.00 22.35 ATOM 1733 CB ASN 116 48.331 -2.383 -43.401 1.00 54.05 ATOM 1734 HB1 ASN 116 47.846 -1.775 -42.649 1.00 37.20 ATOM 1735 HB2 ASN 116 48.441 -3.385 -43.009 1.00 52.00 ATOM 1736 CG ASN 116 47.427 -2.433 -44.618 1.00 50.13 ATOM 1737 OD1 ASN 116 47.327 -1.464 -45.371 1.00 60.03 ATOM 1738 ND2 ASN 116 46.763 -3.566 -44.816 1.00 41.10 ATOM 1739 HD21 ASN 116 46.879 -4.310 -44.182 1.00 34.12 ATOM 1740 HD22 ASN 116 46.174 -3.617 -45.598 1.00 4.24 ATOM 1741 C ASN 116 50.285 -1.101 -42.509 1.00 53.22 ATOM 1742 O ASN 116 51.145 -1.616 -41.796 1.00 25.53 ATOM 1743 N PRO 117 49.792 0.122 -42.264 1.00 40.41 ATOM 1744 CA PRO 117 50.235 0.942 -41.132 1.00 52.03 ATOM 1745 HA PRO 117 51.298 1.058 -41.124 1.00 30.30 ATOM 1746 CB PRO 117 49.579 2.299 -41.399 1.00 34.03 ATOM 1747 HB1 PRO 117 50.270 2.928 -41.939 1.00 37.20 ATOM 1748 HB2 PRO 117 49.302 2.784 -40.470 1.00 41.03 ATOM 1749 CG PRO 117 48.383 1.985 -42.230 1.00 31.20 ATOM 1750 HG1 PRO 117 48.141 2.829 -42.859 1.00 37.20 ATOM 1751 HG2 PRO 117 47.547 1.739 -41.592 1.00 21.40 ATOM 1752 CD PRO 117 48.764 0.799 -43.073 1.00 3.42 ATOM 1753 HD1 PRO 117 49.171 1.126 -44.019 1.00 37.20 ATOM 1754 HD2 PRO 117 47.903 0.181 -43.231 1.00 73.53 ATOM 1755 C PRO 117 49.771 0.380 -39.793 1.00 31.21 ATOM 1756 O PRO 117 50.463 0.504 -38.783 1.00 2.34 ATOM 1757 N VAL 118 48.595 -0.240 -39.792 1.00 11.02 ATOM 1758 HN VAL 118 48.096 -0.314 -40.632 1.00 37.20 ATOM 1759 CA VAL 118 48.039 -0.823 -38.576 1.00 62.05 ATOM 1760 HA VAL 118 47.792 -0.017 -37.905 1.00 73.13 ATOM 1761 CB VAL 118 46.754 -1.619 -38.873 1.00 0.35 ATOM 1762 HB VAL 118 47.011 -2.485 -39.471 1.00 12.12 ATOM 1763 CG1 VAL 118 46.118 -2.106 -37.580 1.00 30.43 ATOM 1764 HG11 VAL 118 46.676 -2.948 -37.197 1.00 3.35 ATOM 1765 HG12 VAL 118 45.101 -2.408 -37.774 1.00 73.44 ATOM 1766 HG13 VAL 118 46.115 -1.312 -36.845 1.00 34.45 ATOM 1767 CG2 VAL 118 45.775 -0.771 -39.671 1.00 63.33 ATOM 1768 HG21 VAL 118 44.779 -1.193 -39.608 1.00 13.13 ATOM 1769 HG22 VAL 118 46.077 -0.755 -40.706 1.00 10.01 ATOM 1770 HG23 VAL 118 45.760 0.240 -39.289 1.00 24.43 ATOM 1771 C VAL 118 49.048 -1.742 -37.897 1.00 32.31 ATOM 1772 O VAL 118 49.265 -1.658 -36.687 1.00 42.35 ATOM 1773 N LEU 119 49.662 -2.620 -38.682 1.00 61.30 ATOM 1774 HN LEU 119 49.459 -2.618 -39.645 1.00 37.20 ATOM 1775 CA LEU 119 50.650 -3.557 -38.157 1.00 12.44 ATOM 1776 HA LEU 119 50.143 -4.235 -37.486 1.00 2.45 ATOM 1777 CB LEU 119 51.275 -4.362 -39.297 1.00 32.32 ATOM 1778 HB1 LEU 119 51.950 -5.093 -38.867 1.00 37.20 ATOM 1779 HB2 LEU 119 51.868 -3.672 -39.890 1.00 41.22 ATOM 1780 CG LEU 119 50.296 -5.082 -40.225 1.00 71.03 ATOM 1781 HG LEU 119 49.390 -4.507 -40.332 1.00 74.35 ATOM 1782 CD1 LEU 119 50.895 -5.238 -41.614 1.00 74.45 ATOM 1783 HD11 LEU 119 51.435 -4.345 -41.886 1.00 25.40 ATOM 1784 HD12 LEU 119 50.094 -5.393 -42.309 1.00 11.31 ATOM 1785 HD13 LEU 119 51.569 -6.086 -41.642 1.00 51.51 ATOM 1786 CD2 LEU 119 49.915 -6.439 -39.651 1.00 3.33 ATOM 1787 HD21 LEU 119 49.205 -6.924 -40.307 1.00 5.11 ATOM 1788 HD22 LEU 119 49.465 -6.307 -38.677 1.00 11.33 ATOM 1789 HD23 LEU 119 50.798 -7.057 -39.557 1.00 43.54 ATOM 1790 C LEU 119 51.739 -2.821 -37.382 1.00 32.52 ATOM 1791 O LEU 119 52.082 -3.201 -36.263 1.00 14.21 ATOM 1792 N ASN 120 52.277 -1.766 -37.985 1.00 21.44 ATOM 1793 HN ASN 120 51.922 -1.489 -38.861 1.00 37.20 ATOM 1794 CA ASN 120 53.326 -0.977 -37.350 1.00 43.53 ATOM 1795 HA ASN 120 54.091 -1.653 -36.989 1.00 14.10 ATOM 1796 CB ASN 120 53.958 -0.021 -38.365 1.00 24.52 ATOM 1797 HB1 ASN 120 54.949 0.243 -38.025 1.00 37.20 ATOM 1798 HB2 ASN 120 53.360 0.880 -38.439 1.00 65.13 ATOM 1799 CG ASN 120 54.079 -0.640 -39.744 1.00 61.21 ATOM 1800 OD1 ASN 120 54.613 -1.739 -39.899 1.00 40.43 ATOM 1801 ND2 ASN 120 53.582 0.064 -40.754 1.00 1.40 ATOM 1802 HD21 ASN 120 53.177 0.938 -40.572 1.00 22.13 ATOM 1803 HD22 ASN 120 53.641 -0.323 -41.652 1.00 61.33 ATOM 1804 C ASN 120 52.773 -0.187 -36.168 1.00 1.21 ATOM 1805 O ASN 120 53.505 0.156 -35.240 1.00 61.43 ATOM 1806 N ASN 121 51.476 0.098 -36.209 1.00 15.03 ATOM 1807 HN ASN 121 50.945 -0.166 -36.986 1.00 37.20 ATOM 1808 CA ASN 121 50.824 0.847 -35.141 1.00 14.33 ATOM 1809 HA ASN 121 51.445 1.700 -34.894 1.00 14.03 ATOM 1810 CB ASN 121 49.448 1.337 -35.599 1.00 22.51 ATOM 1811 HB1 ASN 121 48.828 1.547 -34.735 1.00 37.20 ATOM 1812 HB2 ASN 121 48.973 0.576 -36.189 1.00 64.10 ATOM 1813 CG ASN 121 49.531 2.607 -36.423 1.00 24.11 ATOM 1814 OD1 ASN 121 50.399 3.451 -36.197 1.00 71.32 ATOM 1815 ND2 ASN 121 48.626 2.749 -37.384 1.00 65.54 ATOM 1816 HD21 ASN 121 47.955 2.047 -37.518 1.00 20.42 ATOM 1817 HD22 ASN 121 48.666 3.562 -37.930 1.00 14.12 ATOM 1818 C ASN 121 50.679 -0.008 -33.886 1.00 23.23 ATOM 1819 O ASN 121 50.880 0.470 -32.769 1.00 24.05 ATOM 1820 N LEU 122 50.330 -1.276 -34.077 1.00 45.44 ATOM 1821 HN LEU 122 50.162 -1.601 -34.993 1.00 37.20 ATOM 1822 CA LEU 122 50.160 -2.199 -32.961 1.00 72.33 ATOM 1823 HA LEU 122 49.344 -1.835 -32.362 1.00 4.41 ATOM 1824 CB LEU 122 49.848 -3.604 -33.480 1.00 35.25 ATOM 1825 HB1 LEU 122 50.273 -4.334 -32.798 1.00 37.20 ATOM 1826 HB2 LEU 122 50.338 -3.725 -34.439 1.00 51.23 ATOM 1827 CG LEU 122 48.366 -3.941 -33.655 1.00 24.11 ATOM 1828 HG LEU 122 47.921 -3.214 -34.309 1.00 22.41 ATOM 1829 CD1 LEU 122 48.203 -5.310 -34.298 1.00 13.43 ATOM 1830 HD11 LEU 122 48.642 -6.067 -33.662 1.00 24.10 ATOM 1831 HD12 LEU 122 48.697 -5.320 -35.260 1.00 32.10 ATOM 1832 HD13 LEU 122 47.152 -5.523 -34.437 1.00 2.11 ATOM 1833 CD2 LEU 122 47.645 -3.889 -32.316 1.00 24.22 ATOM 1834 HD21 LEU 122 48.074 -4.617 -31.641 1.00 22.54 ATOM 1835 HD22 LEU 122 46.603 -4.109 -32.465 1.00 42.31 ATOM 1836 HD23 LEU 122 47.731 -2.906 -31.884 1.00 24.34 ATOM 1837 C LEU 122 51.409 -2.234 -32.087 1.00 1.52 ATOM 1838 O LEU 122 51.320 -2.263 -30.859 1.00 13.34 ATOM 1839 N LEU 123 52.573 -2.228 -32.727 1.00 1.42 ATOM 1840 HN LEU 123 52.586 -2.221 -33.714 1.00 37.20 ATOM 1841 CA LEU 123 53.842 -2.256 -32.007 1.00 51.45 ATOM 1842 HA LEU 123 53.895 -3.187 -31.460 1.00 45.42 ATOM 1843 CB LEU 123 55.011 -2.192 -32.992 1.00 54.24 ATOM 1844 HB1 LEU 123 54.842 -1.346 -33.643 1.00 37.20 ATOM 1845 HB2 LEU 123 55.007 -3.078 -33.594 1.00 61.12 ATOM 1846 CG LEU 123 56.401 -2.036 -32.375 1.00 51.10 ATOM 1847 HG LEU 123 56.464 -1.085 -31.866 1.00 64.42 ATOM 1848 CD1 LEU 123 56.657 -3.132 -31.353 1.00 31.23 ATOM 1849 HD11 LEU 123 55.973 -3.027 -30.526 1.00 64.15 ATOM 1850 HD12 LEU 123 57.670 -3.059 -30.985 1.00 60.23 ATOM 1851 HD13 LEU 123 56.517 -4.101 -31.814 1.00 63.54 ATOM 1852 CD2 LEU 123 57.470 -2.053 -33.458 1.00 21.34 ATOM 1853 HD21 LEU 123 57.288 -1.250 -34.159 1.00 73.14 ATOM 1854 HD22 LEU 123 57.445 -2.999 -33.982 1.00 72.13 ATOM 1855 HD23 LEU 123 58.444 -1.918 -33.008 1.00 34.33 ATOM 1856 C LEU 123 53.932 -1.099 -31.018 1.00 4.53 ATOM 1857 O LEU 123 54.362 -1.276 -29.878 1.00 14.23 ATOM 1858 N SER 124 53.523 0.086 -31.461 1.00 22.11 ATOM 1859 HN SER 124 53.190 0.170 -32.386 1.00 37.20 ATOM 1860 CA SER 124 53.559 1.273 -30.615 1.00 24.14 ATOM 1861 HA SER 124 54.550 1.355 -30.186 1.00 0.32 ATOM 1862 CB SER 124 53.281 2.527 -31.446 1.00 32.40 ATOM 1863 HB1 SER 124 52.222 2.609 -31.656 1.00 37.20 ATOM 1864 HB2 SER 124 53.823 2.463 -32.379 1.00 33.32 ATOM 1865 OG SER 124 53.705 3.695 -30.765 1.00 61.32 ATOM 1866 HG SER 124 53.674 4.444 -31.364 1.00 23.25 ATOM 1867 C SER 124 52.543 1.164 -29.482 1.00 22.31 ATOM 1868 O SER 124 52.879 1.353 -28.312 1.00 75.20 ATOM 1869 N CYS 125 51.301 0.858 -29.838 1.00 74.22 ATOM 1870 HN CYS 125 51.107 0.697 -30.791 1.00 37.20 ATOM 1871 CA CYS 125 50.234 0.724 -28.853 1.00 33.14 ATOM 1872 HA CYS 125 50.093 1.686 -28.380 1.00 2.34 ATOM 1873 CB CYS 125 48.929 0.313 -29.536 1.00 33.22 ATOM 1874 HB1 CYS 125 48.139 0.270 -28.798 1.00 37.20 ATOM 1875 HB2 CYS 125 49.051 -0.664 -29.982 1.00 54.13 ATOM 1876 SG CYS 125 48.393 1.440 -30.844 1.00 1.42 ATOM 1877 HG CYS 125 48.062 0.712 -31.900 1.00 41.21 ATOM 1878 C CYS 125 50.606 -0.298 -27.784 1.00 21.15 ATOM 1879 O CYS 125 50.509 -0.025 -26.587 1.00 54.52 ATOM 1880 N VAL 126 51.032 -1.478 -28.223 1.00 70.21 ATOM 1881 HN VAL 126 51.108 -1.628 -29.193 1.00 37.20 ATOM 1882 CA VAL 126 51.419 -2.542 -27.304 1.00 74.12 ATOM 1883 HA VAL 126 50.576 -2.767 -26.672 1.00 60.22 ATOM 1884 CB VAL 126 51.809 -3.825 -28.063 1.00 15.32 ATOM 1885 HB VAL 126 52.639 -3.598 -28.718 1.00 53.04 ATOM 1886 CG1 VAL 126 52.253 -4.906 -27.090 1.00 35.50 ATOM 1887 HG11 VAL 126 51.509 -5.032 -26.315 1.00 2.42 ATOM 1888 HG12 VAL 126 53.198 -4.636 -26.643 1.00 62.41 ATOM 1889 HG13 VAL 126 52.375 -5.843 -27.618 1.00 44.32 ATOM 1890 CG2 VAL 126 50.649 -4.310 -28.920 1.00 11.25 ATOM 1891 HG21 VAL 126 51.025 -4.982 -29.676 1.00 2.02 ATOM 1892 HG22 VAL 126 50.143 -3.489 -29.396 1.00 24.04 ATOM 1893 HG23 VAL 126 49.936 -4.842 -28.304 1.00 32.23 ATOM 1894 C VAL 126 52.586 -2.111 -26.424 1.00 0.32 ATOM 1895 O VAL 126 52.530 -2.230 -25.200 1.00 52.33 ATOM 1896 N GLN 127 53.642 -1.609 -27.055 1.00 44.23 ATOM 1897 HN GLN 127 53.629 -1.543 -28.040 1.00 37.20 ATOM 1898 CA GLN 127 54.824 -1.160 -26.329 1.00 11.54 ATOM 1899 HA GLN 127 55.281 -2.028 -25.871 1.00 13.22 ATOM 1900 CB GLN 127 55.819 -0.504 -27.287 1.00 45.21 ATOM 1901 HB1 GLN 127 56.397 0.242 -26.753 1.00 37.20 ATOM 1902 HB2 GLN 127 55.276 -0.010 -28.079 1.00 4.33 ATOM 1903 CG GLN 127 56.805 -1.483 -27.904 1.00 3.12 ATOM 1904 HG1 GLN 127 56.255 -2.298 -28.354 1.00 37.20 ATOM 1905 HG2 GLN 127 57.443 -1.869 -27.123 1.00 63.03 ATOM 1906 CD GLN 127 57.674 -0.844 -28.969 1.00 53.44 ATOM 1907 OE1 GLN 127 57.353 0.226 -29.488 1.00 43.31 ATOM 1908 NE2 GLN 127 58.781 -1.497 -29.302 1.00 33.10 ATOM 1909 HE21 GLN 127 58.988 -2.349 -28.855 1.00 4.14 ATOM 1910 HE22 GLN 127 59.356 -1.099 -29.989 1.00 71.23 ATOM 1911 C GLN 127 54.443 -0.180 -25.223 1.00 44.14 ATOM 1912 O GLN 127 54.981 -0.238 -24.118 1.00 44.43 ATOM 1913 N GLU 128 53.513 0.719 -25.530 1.00 60.33 ATOM 1914 HN GLU 128 53.121 0.724 -26.435 1.00 37.20 ATOM 1915 CA GLU 128 53.062 1.712 -24.562 1.00 62.32 ATOM 1916 HA GLU 128 53.933 2.216 -24.163 1.00 13.23 ATOM 1917 CB GLU 128 52.165 2.748 -25.242 1.00 35.04 ATOM 1918 HB1 GLU 128 51.401 2.232 -25.804 1.00 37.20 ATOM 1919 HB2 GLU 128 52.764 3.336 -25.921 1.00 14.43 ATOM 1920 CG GLU 128 51.483 3.694 -24.268 1.00 12.50 ATOM 1921 HG1 GLU 128 50.794 3.143 -23.647 1.00 37.20 ATOM 1922 HG2 GLU 128 50.932 4.427 -24.839 1.00 5.33 ATOM 1923 CD GLU 128 52.469 4.430 -23.382 1.00 43.42 ATOM 1924 OE1 GLU 128 53.485 4.929 -23.911 1.00 14.22 ATOM 1925 OE2 GLU 128 52.225 4.507 -22.160 1.00 1.42 ATOM 1926 C GLU 128 52.311 1.048 -23.412 1.00 33.12 ATOM 1927 O GLU 128 52.578 1.322 -22.242 1.00 3.43 ATOM 1928 N ILE 129 51.370 0.174 -23.754 1.00 13.43 ATOM 1929 HN ILE 129 51.217 -0.015 -24.709 1.00 37.20 ATOM 1930 CA ILE 129 50.580 -0.529 -22.750 1.00 40.33 ATOM 1931 HA ILE 129 49.978 0.202 -22.225 1.00 55.32 ATOM 1932 CB ILE 129 49.638 -1.562 -23.397 1.00 44.53 ATOM 1933 HB ILE 129 50.248 -2.275 -23.937 1.00 60.13 ATOM 1934 CG1 ILE 129 48.676 -0.870 -24.365 1.00 72.53 ATOM 1935 HG11 ILE 129 49.128 0.012 -24.756 1.00 37.20 ATOM 1936 HG12 ILE 129 47.766 -0.596 -23.851 1.00 53.32 ATOM 1937 CG2 ILE 129 48.868 -2.320 -22.327 1.00 10.44 ATOM 1938 HG21 ILE 129 49.507 -3.057 -21.863 1.00 21.15 ATOM 1939 HG22 ILE 129 48.031 -2.812 -22.785 1.00 43.30 ATOM 1940 HG23 ILE 129 48.503 -1.632 -21.578 1.00 23.52 ATOM 1941 CD1 ILE 129 48.289 -1.729 -25.549 1.00 33.43 ATOM 1942 HD11 ILE 129 48.851 -2.650 -25.562 1.00 42.53 ATOM 1943 HD12 ILE 129 48.453 -1.191 -26.463 1.00 1.43 ATOM 1944 HD13 ILE 129 47.242 -1.957 -25.468 1.00 24.13 ATOM 1945 C ILE 129 51.478 -1.238 -21.742 1.00 12.41 ATOM 1946 O ILE 129 51.262 -1.149 -20.533 1.00 51.13 ATOM 1947 N SER 130 52.487 -1.940 -22.247 1.00 51.22 ATOM 1948 HN SER 130 52.612 -1.973 -23.226 1.00 37.20 ATOM 1949 CA SER 130 53.417 -2.666 -21.391 1.00 3.12 ATOM 1950 HA SER 130 52.843 -3.266 -20.696 1.00 55.13 ATOM 1951 CB SER 130 54.296 -3.596 -22.230 1.00 32.14 ATOM 1952 HB1 SER 130 54.487 -3.146 -23.195 1.00 37.20 ATOM 1953 HB2 SER 130 53.789 -4.539 -22.368 1.00 55.14 ATOM 1954 OG SER 130 55.538 -3.838 -21.591 1.00 53.32 ATOM 1955 HG SER 130 56.136 -4.270 -22.206 1.00 23.22 ATOM 1956 C SER 130 54.292 -1.700 -20.597 1.00 62.14 ATOM 1957 O SER 130 54.557 -1.914 -19.414 1.00 64.24 ATOM 1958 N ASP 131 54.737 -0.637 -21.258 1.00 4.25 ATOM 1959 HN ASP 131 54.507 -0.524 -22.211 1.00 37.20 ATOM 1960 CA ASP 131 55.582 0.364 -20.615 1.00 72.31 ATOM 1961 HA ASP 131 56.492 -0.126 -20.303 1.00 25.31 ATOM 1962 CB ASP 131 55.930 1.479 -21.603 1.00 33.43 ATOM 1963 HB1 ASP 131 55.104 2.173 -21.689 1.00 37.20 ATOM 1964 HB2 ASP 131 56.127 1.046 -22.568 1.00 24.20 ATOM 1965 CG ASP 131 57.168 2.251 -21.192 1.00 31.35 ATOM 1966 OD1 ASP 131 57.568 2.147 -20.013 1.00 21.21 ATOM 1967 OD2 ASP 131 57.737 2.958 -22.048 1.00 43.15 ATOM 1968 C ASP 131 54.891 0.951 -19.388 1.00 51.35 ATOM 1969 O ASP 131 55.524 1.187 -18.359 1.00 64.15 ATOM 1970 N VAL 132 53.588 1.187 -19.505 1.00 72.34 ATOM 1971 HN VAL 132 53.137 0.976 -20.354 1.00 37.20 ATOM 1972 CA VAL 132 52.811 1.747 -18.406 1.00 75.33 ATOM 1973 HA VAL 132 53.153 2.746 -18.243 1.00 34.24 ATOM 1974 CB VAL 132 51.311 1.805 -18.752 1.00 73.12 ATOM 1975 HB VAL 132 50.952 0.797 -18.872 1.00 70.31 ATOM 1976 CG1 VAL 132 50.528 2.465 -17.627 1.00 44.21 ATOM 1977 HG11 VAL 132 50.965 3.425 -17.388 1.00 14.35 ATOM 1978 HG12 VAL 132 50.537 1.835 -16.751 1.00 62.21 ATOM 1979 HG13 VAL 132 49.508 2.608 -17.945 1.00 73.12 ATOM 1980 CG2 VAL 132 51.096 2.541 -20.066 1.00 15.22 ATOM 1981 HG21 VAL 132 52.025 2.949 -20.429 1.00 3.41 ATOM 1982 HG22 VAL 132 50.393 3.337 -19.941 1.00 73.13 ATOM 1983 HG23 VAL 132 50.708 1.848 -20.796 1.00 21.11 ATOM 1984 C VAL 132 52.996 0.932 -17.131 1.00 74.02 ATOM 1985 O VAL 132 53.103 1.486 -16.037 1.00 52.42 ATOM 1986 N VAL 133 53.033 -0.389 -17.279 1.00 52.53 ATOM 1987 HN VAL 133 52.960 -0.775 -18.181 1.00 37.20 ATOM 1988 CA VAL 133 53.207 -1.281 -16.140 1.00 33.14 ATOM 1989 HA VAL 133 52.453 -1.036 -15.399 1.00 1.13 ATOM 1990 CB VAL 133 53.021 -2.755 -16.547 1.00 54.33 ATOM 1991 HB VAL 133 53.786 -3.014 -17.268 1.00 64.35 ATOM 1992 CG1 VAL 133 53.178 -3.667 -15.340 1.00 51.22 ATOM 1993 HG11 VAL 133 52.537 -3.328 -14.537 1.00 53.01 ATOM 1994 HG12 VAL 133 54.205 -3.665 -15.007 1.00 60.25 ATOM 1995 HG13 VAL 133 52.902 -4.677 -15.610 1.00 33.22 ATOM 1996 CG2 VAL 133 51.665 -2.958 -17.206 1.00 54.41 ATOM 1997 HG21 VAL 133 51.610 -2.367 -18.105 1.00 14.40 ATOM 1998 HG22 VAL 133 50.880 -2.656 -16.527 1.00 53.33 ATOM 1999 HG23 VAL 133 51.537 -4.002 -17.460 1.00 0.25 ATOM 2000 C VAL 133 54.585 -1.109 -15.512 1.00 45.02 ATOM 2001 O VAL 133 54.733 -1.162 -14.292 1.00 0.44 ATOM 2002 N GLN 134 55.592 -0.903 -16.356 1.00 12.34 ATOM 2003 HN GLN 134 55.406 -0.850 -17.322 1.00 37.20 ATOM 2004 CA GLN 134 56.959 -0.723 -15.883 1.00 4.11 ATOM 2005 HA GLN 134 57.210 -1.560 -15.244 1.00 20.12 ATOM 2006 CB GLN 134 57.931 -0.701 -17.064 1.00 51.32 ATOM 2007 HB1 GLN 134 58.931 -0.808 -16.670 1.00 37.20 ATOM 2008 HB2 GLN 134 57.853 0.253 -17.573 1.00 21.42 ATOM 2009 CG GLN 134 57.671 -1.796 -18.086 1.00 5.01 ATOM 2010 HG1 GLN 134 56.968 -1.433 -18.813 1.00 37.20 ATOM 2011 HG2 GLN 134 57.252 -2.661 -17.588 1.00 51.11 ATOM 2012 CD GLN 134 58.932 -2.235 -18.804 1.00 44.31 ATOM 2013 OE1 GLN 134 60.041 -1.857 -18.423 1.00 71.22 ATOM 2014 NE2 GLN 134 58.770 -3.037 -19.850 1.00 12.22 ATOM 2015 HE21 GLN 134 57.860 -3.307 -20.110 1.00 53.45 ATOM 2016 HE22 GLN 134 59.574 -3.332 -20.327 1.00 25.01 ATOM 2017 C GLN 134 57.092 0.565 -15.076 1.00 73.42 ATOM 2018 O GLN 134 57.968 0.685 -14.220 1.00 45.04 ATOM 2019 N ARG 135 56.216 1.524 -15.355 1.00 52.41 ATOM 2020 HN ARG 135 55.547 1.377 -16.055 1.00 37.20 ATOM 2021 HA ARG 135 57.145 3.319 -14.932 1.00 44.34 ATOM 2022 CB ARG 135 55.037 3.657 -15.075 1.00 63.13 ATOM 2023 HB1 ARG 135 55.100 4.610 -14.563 1.00 37.20 ATOM 2024 HB2 ARG 135 54.127 3.163 -14.776 1.00 3.30 ATOM 2025 CG ARG 135 54.975 3.928 -16.570 1.00 30.34 ATOM 2026 HG1 ARG 135 54.809 3.011 -17.083 1.00 37.20 ATOM 2027 HG2 ARG 135 55.915 4.354 -16.890 1.00 12.55 ATOM 2028 CD ARG 135 53.860 4.903 -16.913 1.00 74.41 ATOM 2029 HD1 ARG 135 54.032 5.815 -16.356 1.00 37.20 ATOM 2030 HD2 ARG 135 52.913 4.471 -16.618 1.00 31.21 ATOM 2031 NE ARG 135 53.819 5.207 -18.341 1.00 21.11 ATOM 2032 HE ARG 135 54.260 4.578 -18.959 1.00 2.31 ATOM 2033 CZ ARG 135 53.216 6.277 -18.848 1.00 20.45 ATOM 2034 NH1 ARG 135 52.607 7.140 -18.047 1.00 34.34 ATOM 2035 HH11 ARG 135 52.581 7.011 -17.060 1.00 22.23 ATOM 2036 HH12 ARG 135 52.159 7.946 -18.440 1.00 43.05 ATOM 2037 NH2 ARG 135 53.222 6.485 -20.158 1.00 23.10 ATOM 2038 HH21 ARG 135 53.681 5.837 -20.769 1.00 31.41 ATOM 2039 HH22 ARG 135 52.768 7.291 -20.543 1.00 62.02 ATOM 2040 CA ARG 135 56.236 2.804 -14.656 1.00 60.24 ATOM 2041 C ARG 135 56.224 2.598 -13.144 1.00 72.25 ATOM 2042 OT1 ARG 135 55.303 1.914 -12.643 1.00 37.20 ATOM 2043 OT2 ARG 135 57.136 3.122 -12.469 1.00 37.20 ATOM 2044 OH2 TIP3 1 6.857 -26.155 -5.461 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 1 6.808 -27.110 -5.498 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 1 6.031 -25.887 -5.059 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 2 3.205 -27.084 8.207 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 2 2.263 -27.026 8.368 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 2 3.481 -26.178 8.070 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 3 4.302 -28.836 11.818 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 3 4.442 -29.427 11.079 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 3 4.470 -27.963 11.462 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 4 5.940 -26.386 -1.583 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 4 6.013 -25.447 -1.413 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 4 6.845 -26.691 -1.640 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 5 6.857 -26.155 13.395 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 5 6.808 -27.110 13.358 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 5 6.031 -25.887 13.797 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 6 4.139 -22.287 14.502 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 6 4.339 -21.863 13.667 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 6 4.795 -21.944 15.109 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 7 4.087 -30.672 9.733 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 7 4.729 -30.215 9.190 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 7 3.257 -30.559 9.271 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 8 6.438 -34.914 0.501 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 8 5.884 -35.310 -0.171 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 8 6.539 -34.004 0.224 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 9 6.402 -29.114 13.338 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 9 5.550 -28.876 12.971 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 9 6.992 -29.131 12.585 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 10 4.734 -26.128 0.966 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 10 4.361 -26.954 1.276 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 10 5.011 -26.311 0.069 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 11 2.582 -24.529 12.182 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 11 1.980 -25.084 11.687 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 11 2.863 -23.862 11.556 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 12 6.630 -23.672 -1.012 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 12 7.373 -23.086 -1.152 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 12 5.935 -23.104 -0.679 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 13 2.992 -29.479 1.013 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 13 2.715 -30.207 1.569 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 13 3.919 -29.360 1.219 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 14 3.852 -24.275 8.149 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 14 3.696 -23.597 7.492 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 14 4.784 -24.203 8.352 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 15 5.424 -30.880 -2.523 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 15 5.151 -31.305 -3.336 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 15 5.464 -29.949 -2.740 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 16 5.883 -30.011 1.452 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 16 6.733 -29.590 1.580 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 16 5.888 -30.751 2.060 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 17 6.277 -31.958 3.276 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 17 5.551 -32.437 3.674 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 17 6.858 -31.752 4.008 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 18 6.036 -29.173 8.224 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 18 6.870 -29.551 7.943 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 18 6.148 -28.230 8.105 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 19 4.523 -26.295 10.531 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 19 3.875 -25.970 11.156 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 19 4.005 -26.735 9.856 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 20 6.545 -32.057 -0.333 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 20 6.024 -31.700 -1.052 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 20 6.512 -31.382 0.345 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 21 4.064 -33.437 3.839 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 21 3.914 -34.382 3.819 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 21 3.710 -33.156 4.683 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 22 3.157 -22.439 10.245 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 22 2.975 -21.523 10.034 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 22 3.333 -22.849 9.398 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 23 5.286 -23.755 1.958 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 23 5.092 -24.503 1.393 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 23 5.247 -22.997 1.374 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 24 4.504 -25.004 14.108 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 24 3.722 -25.190 13.588 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 24 4.432 -24.075 14.325 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 25 5.940 -26.386 17.273 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 25 6.013 -25.447 17.443 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 25 6.845 -26.691 17.216 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 26 6.630 -23.672 17.844 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 26 7.373 -23.086 17.704 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 26 5.935 -23.104 18.177 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 27 0.054 -12.262 4.138 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 27 0.143 -11.318 4.006 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 27 -0.585 -12.537 3.480 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 28 -1.013 -13.007 7.557 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 28 -1.051 -13.653 8.262 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 28 -1.336 -13.473 6.786 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 29 -0.196 -4.963 6.071 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 29 0.424 -5.640 5.798 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 29 -0.404 -5.181 6.979 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 30 -2.624 -10.574 7.963 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 30 -2.320 -11.260 7.369 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 30 -1.902 -10.456 8.581 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 31 6.039 -18.973 8.824 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 31 6.088 -18.363 9.560 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 31 6.465 -18.512 8.101 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 32 0.517 -16.180 8.291 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 32 0.660 -17.127 8.311 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 32 0.411 -15.973 7.362 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 33 6.431 -17.495 11.060 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 33 5.742 -16.837 10.965 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 33 6.446 -17.692 11.997 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 34 -0.149 -9.661 3.181 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 34 -0.445 -9.983 2.330 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 34 -0.473 -8.761 3.223 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 35 -4.949 -11.485 9.925 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 35 -5.689 -10.887 10.028 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 35 -4.235 -10.931 9.609 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 36 3.505 -19.942 9.624 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 36 2.769 -19.331 9.586 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 36 4.189 -19.527 9.098 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 37 2.616 -8.546 3.341 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 37 2.359 -9.236 2.729 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 37 2.687 -8.989 4.186 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 38 -1.225 -13.018 1.590 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 38 -1.937 -12.483 1.239 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 38 -0.534 -12.962 0.930 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 39 6.144 -13.640 9.884 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 39 5.492 -12.945 9.973 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 39 6.609 -13.430 9.074 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 40 2.181 -12.808 2.542 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 40 1.449 -12.580 3.115 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 40 2.628 -13.522 2.997 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 41 2.078 -14.634 11.610 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 41 2.158 -13.871 12.182 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 41 1.477 -14.355 10.919 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 42 -4.807 -8.750 7.106 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 42 -4.902 -9.328 6.349 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 42 -4.078 -9.121 7.602 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 43 -4.927 -9.010 12.775 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 43 -5.239 -8.228 13.231 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 43 -5.577 -9.163 12.089 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 44 -1.222 -6.909 3.662 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 44 -0.748 -6.614 4.440 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 44 -1.785 -6.171 3.429 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 45 -6.688 -6.938 13.539 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 45 -6.680 -7.074 12.591 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 45 -7.604 -7.056 13.791 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 46 -2.164 -7.725 12.271 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 46 -2.077 -6.899 12.746 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 46 -3.028 -8.055 12.520 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 47 1.021 -4.873 1.829 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 47 0.086 -4.773 2.008 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 47 1.301 -5.582 2.407 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 48 4.009 -15.806 13.875 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 48 3.602 -15.325 13.155 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 48 4.050 -16.711 13.568 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 49 0.405 -15.903 5.506 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 49 0.210 -15.298 4.791 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 49 0.587 -16.737 5.071 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 50 -0.331 -14.265 10.177 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 50 -0.007 -14.896 9.534 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 50 -0.771 -14.800 10.838 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 51 -2.233 -15.550 6.848 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 51 -1.669 -16.097 6.301 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 51 -2.381 -16.072 7.637 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 52 -1.543 -10.765 12.184 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 52 -1.889 -11.146 12.990 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 52 -1.743 -9.831 12.255 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 53 4.734 -7.272 0.966 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 53 4.361 -8.098 1.276 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 53 5.011 -7.455 0.069 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 54 -4.136 -10.473 3.697 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 54 -4.377 -9.548 3.739 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 54 -4.876 -10.932 4.093 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 55 -3.621 -6.324 10.012 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 55 -3.258 -5.469 9.779 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 55 -3.089 -6.616 10.753 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 56 2.992 -10.623 1.013 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 56 2.715 -11.351 1.569 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 56 3.919 -10.504 1.219 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 57 4.163 -18.426 12.431 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 57 3.247 -18.163 12.343 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 57 4.499 -18.429 11.534 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 58 2.765 -14.675 6.527 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 58 1.968 -15.090 6.198 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 58 3.210 -15.366 7.018 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 59 -5.837 -5.829 15.997 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 59 -5.069 -6.288 16.338 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 59 -5.858 -6.055 15.067 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 60 -3.872 -10.968 14.764 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 60 -4.200 -10.697 13.906 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 60 -3.720 -11.909 14.676 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 61 -0.728 -12.258 15.403 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 61 0.225 -12.174 15.375 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 61 -0.888 -12.969 16.022 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 62 -3.414 -13.565 10.940 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 62 -2.663 -13.721 10.367 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 62 -3.753 -12.713 10.664 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 63 1.002 -15.750 15.968 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 63 1.194 -16.681 15.857 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 63 1.859 -15.325 15.958 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 64 2.318 -12.961 14.046 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 64 2.037 -12.252 13.468 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 64 3.261 -13.034 13.895 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 65 5.883 -11.155 1.452 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 65 6.733 -10.734 1.580 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 65 5.888 -11.895 2.060 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 66 6.277 -13.102 3.276 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 66 5.551 -13.581 3.674 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 66 6.858 -12.896 4.008 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 67 4.064 -14.581 3.839 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 67 3.914 -15.526 3.819 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 67 3.710 -14.300 4.683 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 68 4.386 -16.417 7.737 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 68 5.319 -16.205 7.703 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 68 4.151 -16.315 8.660 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 69 4.415 -15.680 10.513 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 69 3.572 -15.412 10.879 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 69 4.858 -14.858 10.302 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 70 6.698 -21.700 15.867 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 70 7.048 -22.354 15.261 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 70 6.845 -20.863 15.427 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 71 6.218 -19.591 14.216 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 71 5.301 -19.320 14.180 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 71 6.341 -20.126 13.432 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 72 3.306 -4.679 3.950 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 72 3.959 -5.026 3.342 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 72 3.817 -4.190 4.596 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 73 5.219 -21.501 12.035 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 73 4.406 -21.176 11.647 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 73 5.452 -22.261 11.502 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 74 -1.775 -4.031 9.005 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 74 -2.232 -3.502 8.351 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 74 -1.612 -3.428 9.730 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 75 -4.860 -5.716 7.213 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 75 -4.647 -6.604 6.926 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 75 -4.795 -5.750 8.168 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 76 3.791 -21.945 6.470 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 76 4.395 -21.397 5.969 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 76 2.922 -21.625 6.230 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 77 5.518 -20.806 4.804 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 77 6.130 -21.320 4.277 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 77 5.901 -19.928 4.827 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 78 5.286 -4.899 1.958 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 78 5.092 -5.647 1.393 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 78 5.247 -4.141 1.374 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 79 0.054 -12.262 22.994 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 79 0.143 -11.318 22.862 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 79 -0.585 -12.537 22.336 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 80 2.693 -10.068 24.715 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 80 2.252 -10.788 25.165 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 80 2.680 -9.347 25.345 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 81 -0.196 -4.963 24.927 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 81 0.424 -5.640 24.654 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 81 -0.404 -5.181 25.835 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 82 -0.149 -9.661 22.037 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 82 -0.445 -9.983 21.186 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 82 -0.473 -8.761 22.079 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 83 1.457 -6.447 23.688 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 83 1.882 -7.154 23.203 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 83 1.774 -5.646 23.271 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 84 2.616 -8.546 22.197 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 84 2.359 -9.236 21.585 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 84 2.687 -8.989 23.042 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 85 -1.225 -13.018 20.446 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 85 -1.937 -12.483 20.095 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 85 -0.534 -12.962 19.786 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 86 -1.171 -14.560 17.485 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 86 -0.470 -14.538 18.136 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 86 -0.869 -15.188 16.829 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 87 2.181 -12.808 21.398 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 87 1.449 -12.580 21.971 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 87 2.628 -13.522 21.853 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 88 1.052 -13.646 19.083 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 88 1.631 -13.496 19.830 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 88 1.466 -13.175 18.360 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 89 -1.222 -6.909 22.518 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 89 -0.748 -6.614 23.296 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 89 -1.785 -6.171 22.285 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 90 2.529 -12.613 16.713 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 90 2.571 -12.836 15.783 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 90 3.378 -12.215 16.903 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 91 -3.063 -10.949 19.803 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 91 -3.807 -11.456 19.480 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 91 -3.197 -10.900 20.749 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 92 6.438 -16.058 19.357 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 92 5.884 -16.454 18.685 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 92 6.539 -15.148 19.080 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 93 -5.563 -8.136 22.977 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 93 -5.036 -7.363 22.776 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 93 -6.443 -7.911 22.675 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 94 -4.136 -10.473 22.553 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 94 -4.377 -9.548 22.595 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 94 -4.876 -10.932 22.949 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 95 -5.452 -5.451 22.098 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 95 -6.402 -5.346 22.150 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 95 -5.101 -4.631 22.443 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 96 -3.783 -8.184 16.090 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 96 -3.544 -8.932 15.542 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 96 -4.052 -8.572 16.922 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 97 -4.846 -8.614 18.546 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 97 -4.699 -9.134 19.336 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 97 -4.849 -7.707 18.852 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 98 -4.770 -5.873 19.277 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 98 -4.609 -5.073 18.776 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 98 -4.967 -5.566 20.162 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 99 -7.777 -8.747 17.953 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 99 -7.185 -8.048 18.229 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 99 -7.318 -9.180 17.234 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 100 -6.186 -10.594 16.319 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 100 -6.122 -11.388 16.850 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 100 -5.533 -10.713 15.630 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 101 5.424 -12.024 16.333 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 101 5.151 -12.449 15.520 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 101 5.464 -11.093 16.116 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 102 5.883 -11.155 20.308 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 102 6.733 -10.734 20.436 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 102 5.888 -11.895 20.916 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 103 6.277 -13.102 22.132 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 103 5.551 -13.581 22.530 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 103 6.858 -12.896 22.864 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 104 4.894 -15.961 17.074 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 104 4.991 -15.294 16.394 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 104 4.754 -16.777 16.592 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 105 4.064 -14.581 22.695 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 105 3.914 -15.526 22.675 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 105 3.710 -14.300 23.539 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 106 3.774 -16.998 21.157 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 106 4.054 -17.905 21.282 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 106 4.533 -16.564 20.768 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 107 6.254 -19.668 17.734 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 107 6.667 -20.389 17.258 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 107 6.936 -18.998 17.792 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 108 3.306 -4.679 22.806 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 108 3.959 -5.026 22.198 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 108 3.817 -4.190 23.452 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 109 5.286 -4.899 20.814 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 109 5.092 -5.647 20.249 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 109 5.247 -4.141 20.230 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 110 -8.469 -4.752 16.762 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 110 -8.737 -4.465 17.635 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 110 -7.698 -5.298 16.914 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 111 0.517 2.676 8.291 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 111 0.660 1.729 8.311 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 111 0.411 2.883 7.362 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 112 3.158 0.199 5.945 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 112 2.943 -0.567 6.477 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 112 3.814 0.671 6.458 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 113 6.144 5.216 9.884 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 113 5.492 5.911 9.973 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 113 6.609 5.426 9.074 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 114 2.078 4.222 11.610 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 114 2.158 4.985 12.182 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 114 1.477 4.501 10.919 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 115 4.009 3.050 13.875 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 115 3.602 3.531 13.155 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 115 4.050 2.145 13.568 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 116 -1.560 -2.374 11.242 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 116 -1.140 -2.789 11.995 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 116 -2.493 -2.552 11.359 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 117 1.766 1.382 12.096 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 117 1.252 1.256 12.893 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 117 1.611 2.294 11.851 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 118 -1.497 3.682 14.180 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 118 -2.060 2.978 14.500 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 118 -0.671 3.562 14.647 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 119 0.852 -0.247 8.225 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 119 0.175 -0.116 8.889 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 119 0.366 -0.402 7.415 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 120 -0.561 0.157 10.479 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 120 0.137 0.231 11.129 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 120 -0.942 -0.707 10.634 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 121 -2.041 2.523 11.596 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 121 -1.922 3.097 12.353 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 121 -1.386 1.835 11.711 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 122 -5.408 1.482 13.208 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 122 -5.258 0.753 12.605 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 122 -5.406 2.259 12.649 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 123 1.002 3.106 15.968 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 123 1.194 2.175 15.857 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 123 1.859 3.531 15.958 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 124 -4.190 -2.692 11.132 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 124 -4.288 -1.745 11.026 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 124 -4.933 -3.064 10.656 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 125 -2.926 1.630 14.695 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 125 -3.162 1.410 15.597 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 125 -3.709 1.423 14.186 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 126 -0.210 0.757 13.771 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 126 -1.158 0.789 13.903 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 126 0.102 0.132 14.425 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 127 -3.968 -3.398 13.803 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 127 -3.256 -4.038 13.789 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 127 -4.069 -3.131 12.889 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 128 6.417 4.148 14.162 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 128 5.554 3.769 13.997 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 128 7.021 3.409 14.088 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 129 4.386 2.439 7.737 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 129 5.319 2.651 7.703 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 129 4.151 2.541 8.660 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 130 4.415 3.176 10.513 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 130 3.572 3.444 10.879 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 130 4.858 3.998 10.302 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 131 3.791 -3.089 6.470 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 131 4.395 -2.541 5.969 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 131 2.922 -2.769 6.230 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 132 5.518 -1.950 4.804 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 132 6.130 -2.464 4.277 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 132 5.901 -1.072 4.827 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 133 1.112 -2.605 5.642 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 133 1.188 -2.510 4.693 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 133 0.836 -3.513 5.771 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 134 -7.094 -2.697 15.233 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 134 -6.195 -2.971 15.048 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 134 -7.480 -3.440 15.697 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 135 1.394 0.908 22.820 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 135 2.040 0.579 23.445 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 135 1.904 1.426 22.197 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 136 -1.171 4.296 17.485 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 136 -0.470 4.318 18.136 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 136 -0.869 3.668 16.829 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 137 1.052 5.210 19.083 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 137 1.631 5.360 19.830 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 137 1.466 5.681 18.360 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 138 4.750 -3.040 18.896 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 138 3.851 -2.901 19.191 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 138 5.002 -2.209 18.494 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 139 -0.599 3.507 21.548 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 139 -1.008 4.322 21.256 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 139 0.121 3.367 20.933 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 140 -5.016 0.564 16.484 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 140 -5.447 0.119 17.214 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 140 -5.734 0.936 15.972 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 141 -3.553 0.518 23.817 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 141 -4.464 0.575 24.106 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 141 -3.048 0.458 24.628 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 142 -5.072 2.147 20.300 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 142 -4.140 2.276 20.478 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 142 -5.287 2.817 19.651 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 143 1.553 2.588 19.663 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 143 2.445 2.451 19.982 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 143 1.610 3.379 19.126 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 144 -2.577 1.537 21.267 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 144 -1.765 2.041 21.313 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 144 -2.822 1.392 22.181 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 145 -1.693 -1.382 22.205 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 145 -2.040 -0.764 22.850 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 145 -1.035 -0.881 21.724 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 146 -6.036 -0.319 18.893 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 146 -6.119 0.570 19.239 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 146 -5.146 -0.584 19.124 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 147 -3.966 4.477 16.888 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 147 -4.146 4.323 15.960 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 147 -3.015 4.585 16.932 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 148 4.894 2.895 17.074 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 148 4.991 3.562 16.394 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 148 4.754 2.079 16.592 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 149 4.142 0.303 16.191 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 149 4.752 -0.069 16.828 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 149 3.305 -0.119 16.387 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 150 3.774 1.858 21.157 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 150 4.054 0.951 21.282 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 150 4.533 2.292 20.768 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 151 4.388 -0.879 21.206 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 151 4.570 -1.328 22.031 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 151 3.788 -1.464 20.742 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 152 6.254 -0.812 17.734 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 152 6.667 -1.533 17.258 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 152 6.936 -0.142 17.792 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 153 -1.351 -1.196 25.214 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 153 -2.026 -1.825 25.469 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 153 -0.787 -1.680 24.611 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 154 -4.445 -2.635 22.849 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 154 -3.571 -2.247 22.819 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 154 -4.581 -2.850 23.772 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 155 1.112 -2.605 24.498 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 155 1.188 -2.510 23.549 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 155 0.836 -3.513 24.627 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 156 2.465 -2.579 20.191 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 156 1.762 -1.965 19.981 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 156 2.020 -3.417 20.322 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 157 -8.327 -0.848 17.282 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 157 -7.836 -1.478 16.754 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 157 -7.704 -0.552 17.945 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 158 -3.301 -0.555 19.739 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 158 -3.123 -1.201 20.422 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 158 -3.355 0.279 20.206 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 159 17.843 -31.863 -11.299 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 159 17.805 -32.509 -10.594 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 159 17.520 -32.329 -12.070 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 160 21.549 -28.924 -12.997 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 160 21.108 -29.644 -12.547 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 160 21.536 -28.203 -12.367 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 161 11.135 -27.798 -11.171 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 161 10.765 -28.600 -11.540 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 161 12.076 -27.967 -11.124 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 162 16.232 -29.430 -10.893 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 162 16.536 -30.116 -11.487 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 162 16.954 -29.312 -10.275 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 163 13.907 -30.341 -8.931 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 163 13.167 -29.743 -8.828 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 163 14.621 -29.787 -9.247 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 164 12.315 -28.377 -8.144 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 164 12.309 -27.498 -8.522 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 164 11.461 -28.460 -7.719 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 165 22.061 -27.084 -10.649 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 165 21.119 -27.026 -10.488 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 165 22.337 -26.178 -10.786 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 166 20.313 -25.303 -14.024 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 166 20.738 -26.010 -14.509 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 166 20.630 -24.502 -14.441 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 167 21.472 -27.402 -15.515 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 167 21.215 -28.092 -16.127 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 167 21.543 -27.845 -14.670 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 168 23.158 -28.836 -7.038 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 168 23.298 -29.427 -7.777 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 168 23.326 -27.963 -7.394 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 169 20.934 -33.490 -7.246 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 169 21.014 -32.727 -6.674 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 169 20.333 -33.211 -7.937 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 170 14.049 -27.606 -11.750 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 170 13.954 -28.184 -12.507 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 170 14.778 -27.977 -11.254 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 171 10.849 -31.668 -6.852 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 171 10.919 -31.017 -6.154 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 171 9.958 -31.565 -7.187 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 172 17.634 -25.765 -15.194 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 172 18.108 -25.470 -14.416 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 172 17.071 -25.027 -15.427 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 173 25.713 -26.155 -5.461 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 173 25.664 -27.110 -5.498 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 173 24.887 -25.887 -5.059 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 174 17.106 -22.809 -16.779 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 174 17.031 -22.930 -17.725 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 174 17.139 -21.859 -16.660 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 175 19.877 -23.729 -17.027 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 175 18.942 -23.629 -16.848 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 175 20.157 -24.438 -16.449 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 176 22.865 -34.662 -4.981 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 176 22.458 -34.181 -5.701 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 176 22.906 -35.567 -5.288 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 177 10.014 -28.278 -6.984 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 177 10.231 -28.639 -6.124 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 177 9.159 -28.652 -7.194 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 178 17.359 -34.030 -4.676 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 178 16.796 -34.734 -4.356 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 178 18.185 -34.150 -4.209 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 179 18.525 -33.121 -8.679 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 179 18.849 -33.752 -9.322 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 179 18.085 -33.656 -8.018 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 180 10.593 -29.813 -4.746 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 180 11.326 -29.559 -4.185 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 180 9.813 -29.609 -4.231 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 181 22.943 -30.672 -9.123 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 181 23.585 -30.215 -9.666 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 181 22.113 -30.559 -9.585 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 182 14.943 -32.532 -4.612 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 182 14.647 -32.698 -5.507 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 182 15.874 -32.752 -4.622 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 183 25.258 -29.114 -5.518 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 183 24.406 -28.876 -5.885 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 183 25.848 -29.131 -6.271 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 184 20.750 -31.320 -10.868 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 184 19.822 -31.552 -10.895 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 184 21.201 -32.097 -11.198 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 185 13.293 -26.992 -14.735 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 185 13.820 -26.219 -14.936 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 185 12.413 -26.767 -15.037 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 186 13.404 -24.307 -15.614 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 186 12.454 -24.202 -15.562 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 186 13.755 -23.487 -15.269 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 187 16.815 -35.189 -7.260 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 187 16.934 -34.615 -6.503 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 187 17.470 -35.877 -7.145 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 188 8.422 -23.604 -4.479 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 188 8.962 -23.821 -3.720 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 188 7.941 -24.410 -4.669 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 189 8.329 -29.794 -3.525 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 189 8.473 -30.696 -3.811 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 189 7.556 -29.508 -4.013 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 190 9.161 -32.594 -4.105 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 190 9.569 -33.451 -4.226 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 190 8.901 -32.579 -3.184 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 191 13.108 -33.585 -6.731 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 191 12.490 -32.910 -6.450 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 191 13.452 -33.264 -7.564 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 192 15.442 -32.421 -7.916 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 192 16.193 -32.577 -8.489 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 192 15.103 -31.569 -8.192 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 193 19.858 -34.606 -2.888 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 193 20.050 -35.537 -2.999 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 193 20.715 -34.181 -2.898 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 194 21.174 -31.817 -4.810 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 194 20.893 -31.108 -5.388 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 194 22.117 -31.890 -4.961 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 195 11.926 -35.032 -3.737 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 195 11.159 -35.564 -3.947 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 195 12.605 -35.342 -4.336 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 196 15.930 -36.082 -4.161 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 196 15.694 -36.302 -3.259 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 196 15.147 -36.289 -4.670 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 197 23.438 -28.268 -2.918 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 197 22.572 -28.373 -2.524 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 197 23.814 -27.509 -2.471 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 198 24.892 -29.173 -10.632 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 198 25.726 -29.551 -10.913 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 198 25.004 -28.230 -10.751 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 199 23.776 -31.467 -5.378 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 199 24.359 -32.201 -5.187 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 199 24.340 -30.695 -5.332 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 200 22.162 -23.535 -14.906 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 200 22.815 -23.882 -15.514 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 200 22.673 -23.046 -14.260 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 201 9.547 -26.606 -4.363 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 201 8.726 -26.431 -4.823 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 201 9.295 -26.679 -3.442 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 202 12.501 -25.631 -8.104 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 202 12.076 -24.822 -8.387 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 202 13.406 -25.546 -8.406 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 203 9.903 -22.375 -8.057 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 203 9.183 -21.935 -8.508 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 203 9.537 -22.626 -7.208 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 204 12.370 -22.775 -9.027 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 204 11.505 -22.703 -8.623 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 204 12.315 -22.228 -9.811 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 205 9.318 -23.752 -11.146 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 205 9.299 -24.177 -10.289 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 205 10.123 -24.070 -11.555 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 206 11.459 -25.042 -12.491 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 206 11.240 -25.958 -12.322 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 206 12.283 -24.902 -12.025 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 207 13.996 -24.572 -11.643 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 207 14.209 -25.460 -11.930 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 207 14.061 -24.606 -10.688 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 208 24.142 -23.755 -16.898 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 208 23.948 -24.503 -17.463 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 208 24.103 -22.997 -17.482 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 209 18.910 -31.118 4.138 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 209 18.999 -30.174 4.006 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 209 18.271 -31.393 3.480 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 210 17.843 -31.863 7.557 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 210 17.805 -32.509 8.262 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 210 17.520 -32.329 6.786 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 211 10.211 -32.248 9.150 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 211 10.253 -32.874 9.874 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 211 10.914 -31.625 9.332 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 212 21.549 -28.924 5.859 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 212 21.108 -29.644 6.309 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 212 21.536 -28.203 6.489 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 213 7.745 -34.138 3.078 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 213 7.297 -33.292 3.060 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 213 7.184 -34.718 2.563 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 214 18.660 -23.819 6.071 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 214 19.280 -24.496 5.798 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 214 18.452 -24.037 6.979 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 215 12.528 -36.935 5.563 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 215 12.571 -36.075 5.145 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 215 12.070 -37.487 4.930 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 216 9.148 -34.538 6.325 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 216 9.802 -35.088 6.757 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 216 9.172 -34.812 5.409 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 217 18.707 -28.517 3.181 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 217 18.411 -28.839 2.330 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 217 18.383 -27.617 3.223 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 218 10.932 -36.125 7.590 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 218 11.545 -35.492 7.963 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 218 11.444 -36.597 6.933 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 219 22.061 -27.084 8.207 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 219 21.119 -27.026 8.368 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 219 22.337 -26.178 8.070 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 220 20.313 -25.303 4.832 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 220 20.738 -26.010 4.347 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 220 20.630 -24.502 4.415 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 221 21.472 -27.402 3.341 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 221 21.215 -28.092 2.729 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 221 21.543 -27.845 4.186 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 222 17.631 -31.874 1.590 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 222 16.919 -31.339 1.239 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 222 18.322 -31.818 0.930 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 223 17.685 -33.416 -1.371 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 223 18.386 -33.394 -0.720 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 223 17.987 -34.044 -2.027 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 224 21.037 -31.664 2.542 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 224 20.305 -31.436 3.115 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 224 21.484 -32.378 2.997 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 225 13.049 -32.265 8.058 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 225 13.614 -32.144 7.295 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 225 13.368 -31.628 8.697 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 226 19.358 -26.762 8.792 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 226 19.117 -26.100 9.440 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 226 19.160 -27.596 9.217 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 227 19.908 -32.502 0.227 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 227 20.487 -32.352 0.974 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 227 20.322 -32.031 -0.496 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 228 10.849 -31.668 12.004 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 228 10.919 -31.017 12.702 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 228 9.958 -31.565 11.669 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 229 24.796 -26.386 -1.583 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 229 24.869 -25.447 -1.413 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 229 25.701 -26.691 -1.640 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 230 7.765 -29.601 10.829 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 230 7.264 -29.629 10.014 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 230 7.771 -30.507 11.139 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 231 21.385 -31.469 -2.143 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 231 21.427 -31.692 -3.073 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 231 22.234 -31.071 -1.953 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 232 12.724 -34.842 8.963 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 232 12.082 -34.883 9.672 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 232 12.761 -33.916 8.725 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 233 12.721 -34.621 3.875 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 233 11.828 -34.962 3.816 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 233 13.172 -34.998 3.119 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 234 18.257 -34.205 2.692 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 234 17.848 -33.390 2.400 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 234 18.977 -34.345 2.077 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 235 8.357 -36.660 0.104 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 235 8.831 -36.069 -0.481 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 235 7.639 -36.129 0.451 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 236 18.525 -33.121 10.177 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 236 18.849 -33.752 9.534 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 236 18.085 -33.656 10.838 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 237 15.303 -37.194 4.961 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 237 14.392 -37.137 5.250 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 237 15.808 -37.254 5.772 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 238 10.131 -35.565 3.788 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 238 9.242 -35.465 3.448 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 238 10.427 -36.407 3.442 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 239 13.784 -35.565 1.444 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 239 14.716 -35.436 1.622 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 239 13.569 -34.895 0.795 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 240 12.458 -34.370 -0.989 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 240 11.916 -34.750 -1.680 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 240 13.292 -34.176 -1.418 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 241 10.593 -29.813 14.110 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 241 11.326 -29.559 14.671 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 241 9.813 -29.609 14.625 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 242 16.623 -34.406 6.848 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 242 17.187 -34.953 6.301 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 242 16.475 -34.928 7.637 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 243 17.313 -29.621 12.184 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 243 16.967 -30.002 12.990 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 243 17.113 -28.687 12.255 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 244 7.926 -32.049 12.031 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 244 8.149 -32.467 12.863 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 244 7.324 -32.662 11.609 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 245 14.943 -32.532 14.244 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 245 14.647 -32.698 13.349 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 245 15.874 -32.752 14.234 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 246 19.563 -27.159 12.134 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 246 18.662 -26.976 11.866 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 246 19.597 -26.900 13.055 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 247 23.590 -26.128 0.966 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 247 23.217 -26.954 1.276 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 247 23.867 -26.311 0.069 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 248 20.750 -31.320 7.988 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 248 19.822 -31.552 7.961 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 248 21.201 -32.097 7.658 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 249 9.048 -32.130 -1.292 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 249 9.664 -31.503 -0.913 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 249 8.186 -31.814 -1.021 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 250 18.779 -29.081 9.713 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 250 18.353 -29.308 10.539 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 250 19.360 -29.819 9.530 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 251 21.438 -24.529 12.182 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 251 20.836 -25.084 11.687 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 251 21.719 -23.862 11.556 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 252 25.486 -23.672 -1.012 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 252 26.229 -23.086 -1.152 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 252 24.791 -23.104 -0.679 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 253 21.848 -29.479 1.013 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 253 21.571 -30.207 1.569 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 253 22.775 -29.360 1.219 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 254 16.279 -36.175 2.411 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 254 17.091 -35.671 2.457 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 254 16.034 -36.320 3.325 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 255 9.395 -34.939 -1.787 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 255 9.350 -34.000 -1.608 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 255 8.507 -35.175 -2.057 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 256 22.708 -24.275 8.149 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 256 22.552 -23.597 7.492 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 256 23.640 -24.203 8.352 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 257 13.019 -24.685 15.997 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 257 13.787 -25.144 16.338 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 257 12.998 -24.911 15.067 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 258 19.596 -26.305 14.726 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 258 19.245 -27.161 14.969 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 258 20.322 -26.162 15.333 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 259 8.329 -29.794 15.331 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 259 8.473 -30.696 15.045 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 259 7.556 -29.508 14.843 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 260 14.984 -29.824 14.764 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 260 14.656 -29.553 13.906 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 260 15.136 -30.765 14.676 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 261 20.719 -29.908 12.147 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 261 21.464 -29.320 12.027 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 261 19.962 -29.326 12.210 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 262 13.108 -33.585 12.125 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 262 12.490 -32.910 12.406 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 262 13.452 -33.264 11.292 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 263 14.890 -33.235 -1.968 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 263 14.710 -33.389 -2.896 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 263 15.841 -33.127 -1.924 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 264 18.128 -31.114 15.403 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 264 19.081 -31.030 15.375 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 264 17.968 -31.825 16.022 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 265 24.280 -30.880 -2.523 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 265 24.007 -31.305 -3.336 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 265 24.320 -29.949 -2.740 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 266 15.442 -32.421 10.940 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 266 16.193 -32.577 10.367 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 266 15.103 -31.569 10.664 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 267 8.356 -27.908 -1.484 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 267 9.270 -27.829 -1.211 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 267 8.363 -28.595 -2.151 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 268 7.005 -22.515 3.593 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 268 6.358 -22.977 3.060 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 268 7.360 -23.187 4.176 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 269 24.739 -30.011 1.452 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 269 25.589 -29.590 1.580 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 269 24.744 -30.751 2.060 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 270 7.955 -31.359 7.849 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 270 8.139 -31.441 6.914 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 270 8.804 -31.483 8.273 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 271 7.078 -34.777 7.950 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 271 7.570 -34.998 7.160 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 271 7.440 -33.936 8.231 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 272 22.162 -23.535 3.950 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 272 22.815 -23.882 3.342 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 272 22.673 -23.046 4.596 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 273 9.547 -26.606 14.493 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 273 8.726 -26.431 14.033 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 273 9.295 -26.679 15.414 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 274 16.812 -24.232 13.711 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 274 16.997 -24.566 14.589 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 274 17.659 -23.923 13.389 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 275 19.157 -22.947 12.955 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 275 19.834 -23.579 12.715 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 275 19.479 -22.545 13.763 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 276 19.408 -24.009 9.950 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 276 18.504 -23.844 9.684 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 276 19.837 -23.156 9.884 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 277 24.142 -23.755 1.958 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 277 23.948 -24.503 1.393 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 277 24.103 -22.997 1.374 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 278 10.387 -23.608 -2.094 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 278 10.119 -23.321 -1.221 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 278 11.158 -24.154 -1.942 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 279 15.073 -27.040 16.090 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 279 15.312 -27.788 15.542 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 279 14.804 -27.428 16.922 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 280 11.079 -27.603 17.953 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 280 11.671 -26.904 18.229 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 280 11.538 -28.036 17.234 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 281 17.111 -25.177 16.228 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 281 16.467 -25.808 16.550 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 281 17.873 -25.708 15.996 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 282 12.670 -29.450 16.319 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 282 12.734 -30.244 16.850 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 282 13.323 -29.569 15.630 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 283 18.022 -28.403 16.055 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 283 17.754 -28.223 16.956 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 283 17.816 -29.329 15.924 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 284 14.788 -22.544 17.889 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 284 15.721 -22.386 18.033 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 284 14.524 -21.869 17.264 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 285 8.356 -27.908 17.372 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 285 9.270 -27.829 17.645 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 285 8.363 -28.595 16.705 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 286 17.433 -23.318 18.134 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 286 18.299 -22.952 17.956 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 286 17.186 -23.758 17.321 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 287 10.387 -23.608 16.762 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 287 10.119 -23.321 17.635 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 287 11.158 -24.154 16.914 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 288 23.438 -9.412 -21.774 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 288 22.572 -9.517 -21.380 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 288 23.814 -8.653 -21.327 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 289 18.910 -12.262 -14.718 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 289 18.999 -11.318 -14.850 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 289 18.271 -12.537 -15.376 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 290 18.660 -4.963 -12.785 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 290 19.280 -5.640 -13.058 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 290 18.452 -5.181 -11.877 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 291 16.232 -10.574 -10.893 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 291 16.536 -11.260 -11.487 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 291 16.954 -10.456 -10.275 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 292 12.528 -18.079 -13.293 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 292 12.571 -17.219 -13.711 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 292 12.070 -18.631 -13.926 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 293 20.250 -17.948 -14.892 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 293 20.896 -18.277 -14.267 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 293 20.760 -17.430 -15.515 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 294 14.304 -14.132 -13.315 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 294 14.920 -14.658 -12.806 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 294 13.718 -14.772 -13.719 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 295 11.338 -19.161 -9.219 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 295 11.119 -18.631 -9.985 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 295 10.670 -18.934 -8.571 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 296 18.707 -9.661 -15.675 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 296 18.411 -9.983 -16.526 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 296 18.383 -8.761 -15.633 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 297 13.907 -11.485 -8.931 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 297 13.167 -10.887 -8.828 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 297 14.621 -10.931 -9.247 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 298 22.014 -18.657 -12.911 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 298 21.799 -19.423 -12.379 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 298 22.670 -18.185 -12.398 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 299 10.932 -17.269 -11.266 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 299 11.545 -16.636 -10.893 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 299 11.444 -17.741 -11.923 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 300 12.315 -9.521 -8.144 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 300 12.309 -8.642 -8.522 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 300 11.461 -9.604 -7.719 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 301 20.313 -6.447 -14.024 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 301 20.738 -7.154 -14.509 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 301 20.630 -5.646 -14.441 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 302 21.472 -8.546 -15.515 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 302 21.215 -9.236 -16.127 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 302 21.543 -8.989 -14.670 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 303 17.631 -13.018 -17.266 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 303 16.919 -12.483 -17.617 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 303 18.322 -12.962 -17.926 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 304 21.037 -12.808 -16.314 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 304 20.305 -12.580 -15.741 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 304 21.484 -13.522 -15.859 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 305 14.049 -8.750 -11.750 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 305 13.954 -9.328 -12.507 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 305 14.778 -9.121 -11.254 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 306 13.049 -13.409 -10.798 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 306 13.614 -13.288 -11.561 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 306 13.368 -12.772 -10.159 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 307 13.929 -9.010 -6.081 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 307 13.617 -8.228 -5.625 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 307 13.279 -9.163 -6.767 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 308 19.908 -13.646 -18.629 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 308 20.487 -13.496 -17.882 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 308 20.322 -13.175 -19.352 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 309 24.796 -7.530 -20.439 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 309 24.869 -6.591 -20.269 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 309 25.701 -7.835 -20.496 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 310 25.713 -7.299 -5.461 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 310 25.664 -8.254 -5.498 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 310 24.887 -7.031 -5.059 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 311 16.692 -7.725 -6.585 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 311 16.779 -6.899 -6.110 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 311 15.828 -8.055 -6.336 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 312 21.385 -12.613 -20.999 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 312 21.427 -12.836 -21.929 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 312 22.234 -12.215 -20.809 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 313 12.724 -15.986 -9.893 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 313 12.082 -16.027 -9.184 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 313 12.761 -15.060 -10.131 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 314 18.257 -15.349 -16.164 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 314 17.848 -14.534 -16.456 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 314 18.977 -15.489 -16.779 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 315 10.474 -15.666 -8.026 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 315 10.436 -15.266 -7.158 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 315 9.983 -16.483 -7.936 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 316 15.303 -18.338 -13.895 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 316 14.392 -18.281 -13.606 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 316 15.808 -18.398 -13.084 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 317 11.625 -19.414 -15.590 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 317 11.308 -20.316 -15.625 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 317 12.406 -19.412 -16.142 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 318 20.409 -16.268 -18.049 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 318 21.301 -16.405 -17.730 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 318 20.466 -15.477 -18.586 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 319 14.943 -13.676 -4.612 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 319 14.647 -13.842 -5.507 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 319 15.874 -13.896 -4.622 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 320 25.294 -16.058 -18.355 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 320 24.740 -16.454 -19.027 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 320 25.395 -15.148 -18.632 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 321 23.590 -7.272 -17.890 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 321 23.217 -8.098 -17.580 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 321 23.867 -7.455 -18.787 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 322 15.235 -6.324 -8.844 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 322 15.598 -5.469 -9.077 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 322 15.767 -6.616 -8.103 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 323 20.982 -9.296 -20.069 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 323 21.335 -9.676 -19.265 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 323 20.033 -9.389 -19.983 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 324 21.438 -5.673 -6.674 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 324 20.836 -6.228 -7.169 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 324 21.719 -5.006 -7.300 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 325 9.560 -18.440 -7.267 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 325 8.667 -18.101 -7.334 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 325 9.461 -19.295 -6.849 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 326 21.848 -10.623 -17.843 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 326 21.571 -11.351 -17.287 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 326 22.775 -10.504 -17.637 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 327 16.279 -17.319 -16.445 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 327 17.091 -16.815 -16.399 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 327 16.034 -17.464 -15.531 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 328 17.163 -20.238 -15.507 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 328 16.816 -19.620 -14.862 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 328 17.821 -19.737 -15.988 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 329 22.708 -5.419 -10.707 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 329 22.552 -4.741 -11.364 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 329 23.640 -5.347 -10.504 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 330 10.203 -21.301 -11.970 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 330 9.974 -21.242 -12.897 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 330 9.760 -22.093 -11.663 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 331 14.984 -10.968 -4.092 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 331 14.656 -10.697 -4.950 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 331 15.136 -11.909 -4.180 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 332 13.108 -14.729 -6.731 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 332 12.490 -14.054 -6.450 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 332 13.452 -14.408 -7.564 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 333 24.280 -12.024 -21.379 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 333 24.007 -12.449 -22.192 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 333 24.320 -11.093 -21.596 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 334 13.448 -17.374 -5.648 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 334 13.598 -18.103 -6.251 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 334 13.450 -16.597 -6.207 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 335 15.442 -13.565 -7.916 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 335 16.193 -13.721 -8.489 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 335 15.103 -12.713 -8.192 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 336 11.926 -16.176 -3.737 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 336 11.159 -16.708 -3.947 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 336 12.605 -16.486 -4.336 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 337 25.424 -4.769 -10.478 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 337 25.402 -4.584 -9.539 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 337 26.114 -4.200 -10.819 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 338 24.987 -5.202 -7.556 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 338 24.500 -5.937 -7.927 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 338 25.536 -5.595 -6.878 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 339 23.438 -9.412 -2.918 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 339 22.572 -9.517 -2.524 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 339 23.814 -8.653 -2.471 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 340 25.401 -13.201 -19.189 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 340 24.880 -12.844 -19.908 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 340 25.368 -12.526 -18.511 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 341 23.750 -15.961 -20.638 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 341 23.847 -15.294 -21.318 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 341 23.610 -16.777 -21.120 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 342 22.630 -16.998 -16.555 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 342 22.910 -17.905 -16.430 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 342 23.389 -16.564 -16.944 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 343 23.244 -19.735 -16.506 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 343 23.426 -20.184 -15.681 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 343 22.644 -20.320 -16.970 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 344 22.162 -4.679 -14.906 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 344 22.815 -5.026 -15.514 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 344 22.673 -4.190 -14.260 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 345 16.812 -5.376 -5.145 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 345 16.997 -5.710 -4.267 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 345 17.659 -5.067 -5.467 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 346 19.157 -4.091 -5.901 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 346 19.834 -4.723 -6.141 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 346 19.479 -3.689 -5.093 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 347 17.081 -4.031 -9.851 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 347 16.624 -3.502 -10.505 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 347 17.244 -3.428 -9.126 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 348 19.408 -5.153 -8.906 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 348 18.504 -4.988 -9.172 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 348 19.837 -4.300 -8.972 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 349 22.013 -3.583 -8.611 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 349 21.831 -2.667 -8.822 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 349 22.189 -3.993 -9.458 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 350 24.374 -20.806 -14.052 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 350 24.986 -21.320 -14.579 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 350 24.757 -19.928 -14.029 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 351 14.411 -21.491 -14.863 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 351 15.285 -21.103 -14.893 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 351 14.275 -21.706 -13.940 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 352 21.321 -21.435 -17.521 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 352 20.618 -20.821 -17.731 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 352 20.876 -22.273 -17.390 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 353 24.142 -4.899 -16.898 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 353 23.948 -5.647 -17.463 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 353 24.103 -4.141 -17.482 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 354 9.789 -20.904 -5.159 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 354 9.423 -21.669 -4.716 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 354 10.702 -20.875 -4.872 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 355 11.762 -21.553 -3.623 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 355 12.661 -21.827 -3.808 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 355 11.376 -22.296 -3.159 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 356 23.360 -6.148 -4.748 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 356 22.578 -6.334 -5.268 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 356 23.288 -5.219 -4.531 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 357 18.910 -12.262 4.138 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 357 18.999 -11.318 4.006 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 357 18.271 -12.537 3.480 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 358 17.843 -13.007 7.557 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 358 17.805 -13.653 8.262 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 358 17.520 -13.473 6.786 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 359 7.745 -15.282 3.078 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 359 7.297 -14.436 3.060 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 359 7.184 -15.862 2.563 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 360 8.455 -13.120 5.204 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 360 8.669 -13.890 5.731 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 360 9.193 -13.031 4.601 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 361 19.373 -16.180 8.291 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 361 19.516 -17.127 8.311 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 361 19.267 -15.973 7.362 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 362 20.250 -17.948 3.964 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 362 20.896 -18.277 4.589 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 362 20.760 -17.430 3.341 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 363 22.014 -18.657 5.945 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 363 21.799 -19.423 6.477 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 363 22.670 -18.185 6.458 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 364 17.631 -13.018 1.590 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 364 16.919 -12.483 1.239 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 364 18.322 -12.962 0.930 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 365 17.685 -14.560 -1.371 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 365 18.386 -14.538 -0.720 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 365 17.987 -15.188 -2.027 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 366 20.934 -14.634 11.610 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 366 21.014 -13.871 12.182 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 366 20.333 -14.355 10.919 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 367 12.682 -12.178 4.425 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 367 12.352 -12.548 3.606 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 367 13.270 -12.848 4.771 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 368 19.358 -7.906 8.792 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 368 19.117 -7.244 9.440 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 368 19.160 -8.740 9.217 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 369 19.908 -13.646 0.227 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 369 20.487 -13.496 0.974 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 369 20.322 -13.175 -0.496 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 370 23.606 -21.896 0.040 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 370 22.707 -21.757 0.335 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 370 23.858 -21.065 -0.362 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 371 11.672 -13.108 2.014 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 371 11.380 -12.340 1.523 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 371 10.998 -13.768 1.851 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 372 24.796 -7.530 -1.583 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 372 24.869 -6.591 -1.413 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 372 25.701 -7.835 -1.640 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 373 16.692 -7.725 12.271 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 373 16.779 -6.899 12.746 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 373 15.828 -8.055 12.520 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 374 10.760 -5.164 3.858 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 374 10.912 -5.512 4.737 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 374 9.909 -5.520 3.603 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 375 20.208 -4.799 -0.920 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 375 20.583 -5.543 -1.391 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 375 20.212 -5.069 -0.002 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 376 22.865 -15.806 13.875 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 376 22.458 -15.325 13.155 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 376 22.906 -16.711 13.568 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 377 17.296 -21.230 11.242 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 377 17.716 -21.645 11.995 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 377 16.363 -21.408 11.359 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 378 20.622 -17.474 12.096 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 378 20.108 -17.600 12.893 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 378 20.467 -16.562 11.851 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 379 21.385 -12.613 -2.143 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 379 21.427 -12.836 -3.073 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 379 22.234 -12.215 -1.953 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 380 12.721 -15.765 3.875 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 380 11.828 -16.106 3.816 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 380 13.172 -16.142 3.119 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 381 18.257 -15.349 2.692 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 381 17.848 -14.534 2.400 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 381 18.977 -15.489 2.077 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 382 19.261 -15.903 5.506 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 382 19.066 -15.298 4.791 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 382 19.443 -16.737 5.071 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 383 13.840 -18.292 -2.372 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 383 13.409 -18.737 -1.642 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 383 13.122 -17.920 -2.884 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 384 7.082 -18.550 4.680 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 384 7.713 -18.579 5.400 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 384 7.532 -18.975 3.950 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 385 18.525 -14.265 10.177 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 385 18.849 -14.896 9.534 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 385 18.085 -14.800 10.838 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 386 10.131 -16.709 3.788 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 386 9.242 -16.609 3.448 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 386 10.427 -17.551 3.442 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 387 13.784 -16.709 1.444 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 387 14.716 -16.580 1.622 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 387 13.569 -16.039 0.795 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 388 19.708 -19.103 8.225 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 388 19.031 -18.972 8.889 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 388 19.222 -19.258 7.415 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 389 12.458 -15.514 -0.989 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 389 11.916 -15.894 -1.680 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 389 13.292 -15.320 -1.418 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 390 17.313 -10.765 12.184 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 390 16.967 -11.146 12.990 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 390 17.113 -9.831 12.255 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 391 20.409 -16.268 0.807 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 391 21.301 -16.405 1.126 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 391 20.466 -15.477 0.270 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 392 17.919 -9.490 -0.028 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 392 17.624 -8.664 0.354 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 392 17.216 -10.110 0.168 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 393 19.563 -8.303 12.134 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 393 18.662 -8.120 11.866 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 393 19.597 -8.044 13.055 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 394 25.294 -16.058 0.501 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 394 24.740 -16.454 -0.171 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 394 25.395 -15.148 0.224 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 395 20.750 -12.464 7.988 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 395 19.822 -12.696 7.961 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 395 21.201 -13.241 7.658 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 396 13.293 -8.136 4.121 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 396 13.820 -7.363 3.920 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 396 12.413 -7.911 3.819 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 397 14.720 -10.473 3.697 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 397 14.479 -9.548 3.739 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 397 13.980 -10.932 4.093 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 398 18.779 -10.225 9.713 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 398 18.353 -10.452 10.539 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 398 19.360 -10.963 9.530 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 399 20.982 -9.296 -1.213 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 399 21.335 -9.676 -0.409 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 399 20.033 -9.389 -1.127 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 400 21.848 -10.623 1.013 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 400 21.571 -11.351 1.569 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 400 22.775 -10.504 1.219 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 401 15.073 -8.184 -2.766 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 401 15.312 -8.932 -3.314 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 401 14.804 -8.572 -1.934 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 402 18.295 -18.699 10.479 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 402 18.993 -18.625 11.129 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 402 17.914 -19.563 10.634 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 403 16.279 -17.319 2.411 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 403 17.091 -16.815 2.457 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 403 16.034 -17.464 3.325 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 404 17.163 -20.238 3.349 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 404 16.816 -19.620 3.994 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 404 17.821 -19.737 2.868 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 405 12.820 -19.175 0.037 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 405 12.737 -18.286 0.383 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 405 13.710 -19.440 0.268 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 406 23.019 -18.426 12.431 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 406 22.103 -18.163 12.343 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 406 23.355 -18.429 11.534 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 407 21.621 -14.675 6.527 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 407 20.824 -15.090 6.198 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 407 22.066 -15.366 7.018 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 408 9.133 -7.361 3.047 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 408 8.301 -6.888 3.074 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 408 9.679 -6.851 2.448 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 409 17.111 -6.321 -2.628 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 409 16.467 -6.952 -2.306 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 409 17.873 -6.852 -2.860 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 410 19.596 -7.449 14.726 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 410 19.245 -8.305 14.969 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 410 20.322 -7.306 15.333 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 411 21.715 -6.504 -2.394 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 411 21.998 -7.298 -1.941 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 411 22.455 -6.271 -2.955 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 412 18.022 -9.547 -2.801 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 412 17.754 -9.367 -1.900 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 412 17.816 -10.473 -2.932 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 413 20.719 -11.052 12.147 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 413 21.464 -10.464 12.027 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 413 19.962 -10.470 12.210 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 414 14.890 -14.379 -1.968 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 414 14.710 -14.533 -2.896 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 414 15.841 -14.271 -1.924 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 415 18.128 -12.258 15.403 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 415 19.081 -12.174 15.375 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 415 17.968 -12.969 16.022 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 416 24.280 -12.024 -2.523 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 416 24.007 -12.449 -3.336 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 416 24.320 -11.093 -2.740 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 417 19.858 -15.750 15.968 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 417 20.050 -16.681 15.857 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 417 20.715 -15.325 15.958 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 418 21.174 -12.961 14.046 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 418 20.893 -12.252 13.468 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 418 22.117 -13.034 13.895 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 419 20.280 -19.465 15.776 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 419 20.183 -20.417 15.770 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 419 19.958 -19.196 16.637 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 420 7.005 -3.659 3.593 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 420 6.358 -4.121 3.060 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 420 7.360 -4.331 4.176 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 421 7.875 -5.578 5.398 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 421 7.541 -6.459 5.570 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 421 8.097 -5.233 6.262 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 422 25.401 -13.201 -0.333 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 422 24.880 -12.844 -1.052 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 422 25.368 -12.526 0.345 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 423 7.955 -12.503 7.849 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 423 8.139 -12.585 6.914 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 423 8.804 -12.627 8.273 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 424 22.630 -16.998 2.301 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 424 22.910 -17.905 2.426 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 424 23.389 -16.564 1.912 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 425 7.553 -17.232 13.990 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 425 8.472 -17.354 14.226 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 425 7.103 -17.982 14.379 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 426 23.244 -19.735 2.350 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 426 23.426 -20.184 3.175 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 426 22.644 -20.320 1.886 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 427 7.078 -15.921 7.950 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 427 7.570 -16.142 7.160 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 427 7.440 -15.080 8.231 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 428 7.391 -19.663 2.005 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 428 6.466 -19.454 1.875 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 428 7.845 -19.179 1.315 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 429 16.812 -5.376 13.711 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 429 16.997 -5.710 14.589 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 429 17.659 -5.067 13.389 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 430 17.081 -4.031 9.005 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 430 16.624 -3.502 8.351 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 430 17.244 -3.428 9.730 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 431 19.408 -5.153 9.950 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 431 18.504 -4.988 9.684 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 431 19.837 -4.300 9.884 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 432 11.459 -6.186 6.365 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 432 11.240 -7.102 6.534 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 432 12.283 -6.046 6.831 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 433 13.996 -5.716 7.213 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 433 14.209 -6.604 6.926 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 433 14.061 -5.750 8.168 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 434 17.505 -20.052 6.358 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 434 16.830 -20.681 6.613 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 434 18.069 -20.536 5.755 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 435 22.647 -21.945 6.470 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 435 23.251 -21.397 5.969 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 435 21.778 -21.625 6.230 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 436 24.374 -20.806 4.804 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 436 24.986 -21.320 4.277 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 436 24.757 -19.928 4.827 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 437 8.668 -21.620 -0.017 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 437 9.107 -21.009 -0.608 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 437 8.034 -21.082 0.457 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 438 19.968 -21.461 5.642 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 438 20.044 -21.366 4.693 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 438 19.692 -22.369 5.771 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 439 10.529 -19.704 -1.574 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 439 11.020 -20.334 -2.102 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 439 11.152 -19.408 -0.911 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 440 15.555 -19.411 0.883 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 440 15.733 -20.057 1.566 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 440 15.501 -18.577 1.350 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 441 20.184 -22.221 15.415 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 441 20.260 -22.647 16.269 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 441 21.077 -22.207 15.073 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 442 7.745 -15.282 21.934 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 442 7.297 -14.436 21.916 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 442 7.184 -15.862 21.419 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 443 8.455 -13.120 24.060 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 443 8.669 -13.890 24.587 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 443 9.193 -13.031 23.457 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 444 12.528 -18.079 24.419 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 444 12.571 -17.219 24.001 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 444 12.070 -18.631 23.786 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 445 9.148 -15.682 25.181 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 445 9.802 -16.232 25.613 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 445 9.172 -15.956 24.265 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 446 14.304 -14.132 24.397 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 446 14.920 -14.658 24.906 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 446 13.718 -14.772 23.993 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 447 17.631 -13.018 20.446 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 447 16.919 -12.483 20.095 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 447 18.322 -12.962 19.786 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 448 17.685 -14.560 17.485 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 448 18.386 -14.538 18.136 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 448 17.987 -15.188 16.829 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 449 12.682 -12.178 23.281 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 449 12.352 -12.548 22.462 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 449 13.270 -12.848 23.627 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 450 13.049 -13.409 26.914 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 450 13.614 -13.288 26.151 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 450 13.368 -12.772 27.553 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 451 17.106 -3.953 20.933 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 451 17.031 -4.074 19.987 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 451 17.139 -3.003 21.052 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 452 10.760 -5.164 22.714 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 452 10.912 -5.512 23.593 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 452 9.909 -5.520 22.459 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 453 16.958 -18.737 17.383 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 453 16.704 -18.718 18.306 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 453 16.701 -19.609 17.082 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 454 12.721 -15.765 22.731 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 454 11.828 -16.106 22.672 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 454 13.172 -16.142 21.975 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 455 18.257 -15.349 21.548 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 455 17.848 -14.534 21.256 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 455 18.977 -15.489 20.933 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 456 7.082 -18.550 23.536 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 456 7.713 -18.579 24.256 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 456 7.532 -18.975 22.806 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 457 8.357 -17.804 18.960 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 457 8.831 -17.213 18.375 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 457 7.639 -17.273 19.307 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 458 10.131 -16.709 22.644 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 458 9.242 -16.609 22.304 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 458 10.427 -17.551 22.298 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 459 13.784 -16.709 20.300 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 459 14.716 -16.580 20.478 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 459 13.569 -16.039 19.651 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 460 11.625 -19.414 22.122 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 460 11.308 -20.316 22.087 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 460 12.406 -19.412 21.570 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 461 15.793 -10.949 19.803 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 461 15.049 -11.456 19.480 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 461 15.659 -10.900 20.749 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 462 19.691 -18.135 18.002 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 462 18.753 -18.023 17.851 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 462 19.988 -17.278 18.308 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 463 10.918 -11.654 25.572 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 463 11.663 -11.656 24.971 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 463 10.996 -12.478 26.054 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 464 17.919 -9.490 18.828 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 464 17.624 -8.664 19.210 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 464 17.216 -10.110 19.024 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 465 13.293 -8.136 22.977 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 465 13.820 -7.363 22.776 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 465 12.413 -7.911 22.675 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 466 14.720 -10.473 22.553 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 466 14.479 -9.548 22.595 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 466 13.980 -10.932 22.949 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 467 13.404 -5.451 22.098 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 467 12.454 -5.346 22.150 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 467 13.755 -4.631 22.443 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 468 15.073 -8.184 16.090 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 468 15.312 -8.932 15.542 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 468 14.804 -8.572 16.922 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 469 14.010 -8.614 18.546 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 469 14.157 -9.134 19.336 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 469 14.007 -7.707 18.852 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 470 16.748 -6.916 19.295 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 470 15.931 -6.419 19.348 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 470 17.277 -6.441 18.655 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 471 16.279 -17.319 21.267 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 471 17.091 -16.815 21.313 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 471 16.034 -17.464 22.181 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 472 12.820 -19.175 18.893 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 472 12.737 -18.286 19.239 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 472 13.710 -19.440 19.124 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 473 9.133 -7.361 21.903 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 473 8.301 -6.888 21.930 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 473 9.679 -6.851 21.304 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 474 17.111 -6.321 16.228 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 474 16.467 -6.952 16.550 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 474 17.873 -6.852 15.996 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 475 18.022 -9.547 16.055 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 475 17.754 -9.367 16.956 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 475 17.816 -10.473 15.924 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 476 14.890 -14.379 16.888 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 476 14.710 -14.533 15.960 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 476 15.841 -14.271 16.932 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 477 7.005 -3.659 22.449 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 477 6.358 -4.121 21.916 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 477 7.360 -4.331 23.032 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 478 7.875 -5.578 24.254 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 478 7.541 -6.459 24.426 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 478 8.097 -5.233 25.118 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 479 7.955 -12.503 26.705 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 479 8.139 -12.585 25.770 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 479 8.804 -12.627 27.129 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 480 7.391 -19.663 20.861 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 480 6.466 -19.454 20.731 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 480 7.845 -19.179 20.171 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 481 11.459 -6.186 25.221 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 481 11.240 -7.102 25.390 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 481 12.283 -6.046 25.687 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 482 8.668 -21.620 18.839 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 482 9.107 -21.009 18.248 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 482 8.034 -21.082 19.313 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 483 10.529 -19.704 17.282 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 483 11.020 -20.334 16.754 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 483 11.152 -19.408 17.945 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 484 15.555 -19.411 19.739 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 484 15.733 -20.057 20.422 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 484 15.501 -18.577 20.206 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 485 17.433 -4.462 18.134 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 485 18.299 -4.096 17.956 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 485 17.186 -4.902 17.321 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 486 20.184 -3.365 -3.441 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 486 20.260 -3.791 -2.587 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 486 21.077 -3.351 -3.783 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 487 11.338 -0.305 9.637 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 487 11.119 0.225 8.871 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 487 10.670 -0.078 10.285 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 488 10.932 1.587 7.590 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 488 11.545 2.220 7.963 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 488 11.444 1.115 6.933 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 489 15.364 -2.999 7.090 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 489 15.247 -3.948 7.036 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 489 14.509 -2.667 7.363 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 490 12.633 -2.096 7.868 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 490 11.772 -2.183 7.460 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 490 12.611 -1.240 8.295 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 491 10.474 3.190 10.830 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 491 10.436 3.590 11.698 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 491 9.983 2.373 10.920 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 492 7.082 0.306 4.680 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 492 7.713 0.277 5.400 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 492 7.532 -0.119 3.950 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 493 7.926 5.663 12.031 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 493 8.149 5.245 12.863 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 493 7.324 5.050 11.609 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 494 10.203 -2.445 6.886 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 494 9.974 -2.386 5.959 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 494 9.760 -3.237 7.193 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 495 9.161 5.118 14.751 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 495 9.569 4.261 14.630 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 495 8.901 5.133 15.672 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 496 13.448 1.482 13.208 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 496 13.598 0.753 12.605 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 496 13.450 2.259 12.649 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 497 13.860 -0.148 10.700 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 497 14.396 0.303 10.048 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 497 13.008 -0.256 10.278 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 498 11.926 2.680 15.119 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 498 11.159 2.148 14.909 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 498 12.605 2.370 14.520 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 499 14.666 -2.692 11.132 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 499 14.568 -1.745 11.026 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 499 13.923 -3.064 10.656 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 500 10.107 0.601 14.824 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 500 10.318 -0.106 14.213 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 500 9.995 0.163 15.668 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 501 14.888 -3.398 13.803 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 501 15.600 -4.038 13.789 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 501 14.787 -3.131 12.889 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 502 15.241 -1.715 15.857 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 502 15.110 -2.191 15.036 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 502 14.642 -0.971 15.801 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 503 7.553 1.624 13.990 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 503 8.472 1.502 14.226 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 503 7.103 0.874 14.379 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 504 8.774 -0.064 6.881 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 504 9.219 -0.856 7.183 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 504 9.240 0.652 7.312 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 505 7.078 2.935 7.950 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 505 7.570 2.714 7.160 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 505 7.440 3.776 8.231 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 506 9.831 -2.562 4.180 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 506 9.054 -2.796 3.672 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 506 10.362 -3.359 4.188 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 507 16.958 0.119 17.383 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 507 16.704 0.138 18.306 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 507 16.701 -0.753 17.082 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 508 13.840 0.564 16.484 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 508 13.409 0.119 17.214 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 508 13.122 0.936 15.972 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 509 8.357 1.052 18.960 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 509 8.831 1.643 18.375 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 509 7.639 1.583 19.307 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 510 11.625 -0.558 22.122 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 510 11.308 -1.460 22.087 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 510 12.406 -0.556 21.570 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 511 12.820 -0.319 18.893 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 511 12.737 0.570 19.239 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 511 13.710 -0.584 19.124 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 512 9.395 2.773 17.069 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 512 9.350 3.712 17.248 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 512 8.507 2.537 16.799 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 513 7.391 -0.807 20.861 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 513 6.466 -0.598 20.731 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 513 7.845 -0.323 20.171 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 514 9.831 -2.562 23.036 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 514 9.054 -2.796 22.528 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 514 10.362 -3.359 23.044 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 515 14.411 -2.635 22.849 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 515 15.285 -2.247 22.819 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 515 14.275 -2.850 23.772 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 516 10.529 -0.848 17.282 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 516 11.020 -1.478 16.754 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 516 11.152 -0.552 17.945 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 517 15.555 -0.555 19.739 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 517 15.733 -1.201 20.422 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 517 15.501 0.279 20.206 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 518 41.851 -22.287 -42.066 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 518 42.051 -21.863 -42.901 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 518 42.507 -21.944 -41.459 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 519 44.342 -23.672 -38.724 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 519 45.085 -23.086 -38.864 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 519 43.647 -23.104 -38.391 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 520 44.280 -23.625 -29.334 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 520 44.258 -23.440 -28.395 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 520 44.970 -23.056 -29.675 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 521 41.018 -23.535 -33.762 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 521 41.671 -23.882 -34.370 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 521 41.529 -23.046 -33.116 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 522 40.869 -22.439 -27.467 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 522 40.687 -21.523 -27.678 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 522 41.045 -22.849 -28.314 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 523 42.998 -23.755 -35.754 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 523 42.804 -24.503 -36.319 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 523 42.959 -22.997 -36.338 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 524 37.516 -23.819 -12.785 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 524 38.136 -24.496 -13.058 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 524 37.308 -24.037 -11.877 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 525 35.088 -29.430 -10.893 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 525 35.392 -30.116 -11.487 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 525 35.810 -29.312 -10.275 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 526 31.171 -28.377 -8.144 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 526 31.165 -27.498 -8.522 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 526 30.317 -28.460 -7.719 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 527 40.917 -27.084 -10.649 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 527 39.975 -27.026 -10.488 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 527 41.193 -26.178 -10.786 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 528 39.169 -25.303 -14.024 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 528 39.594 -26.010 -14.509 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 528 39.486 -24.502 -14.441 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 529 42.014 -28.836 -7.038 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 529 42.154 -29.427 -7.777 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 529 42.182 -27.963 -7.394 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 530 32.905 -27.606 -11.750 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 530 32.810 -28.184 -12.507 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 530 33.634 -27.977 -11.254 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 531 38.214 -26.762 -10.064 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 531 37.973 -26.100 -9.416 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 531 38.016 -27.596 -9.639 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 532 32.785 -27.866 -6.081 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 532 32.473 -27.084 -5.625 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 532 32.135 -28.019 -6.767 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 533 36.490 -25.765 -15.194 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 533 36.964 -25.470 -14.416 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 533 35.927 -25.027 -15.427 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 534 31.024 -25.794 -5.317 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 534 31.032 -25.930 -6.265 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 534 30.108 -25.912 -5.065 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 535 26.621 -29.601 -8.027 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 535 26.120 -29.629 -8.842 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 535 26.627 -30.507 -7.717 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 536 26.372 -26.821 -11.143 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 536 27.318 -26.965 -11.162 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 536 26.259 -26.037 -10.606 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 537 44.569 -26.155 -5.461 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 537 44.520 -27.110 -5.498 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 537 43.743 -25.887 -5.059 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 538 35.548 -26.581 -6.585 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 538 35.635 -25.755 -6.110 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 538 34.684 -26.911 -6.336 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 539 35.962 -22.809 -16.779 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 539 35.887 -22.930 -17.725 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 539 35.995 -21.859 -16.660 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 540 29.616 -24.020 -14.998 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 540 29.768 -24.368 -14.119 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 540 28.765 -24.376 -15.253 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 541 36.169 -29.621 -6.672 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 541 35.823 -30.002 -5.866 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 541 35.969 -28.687 -6.601 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 542 38.419 -27.159 -6.722 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 542 37.518 -26.976 -6.990 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 542 38.453 -26.900 -5.801 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 543 44.114 -29.114 -5.518 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 543 43.262 -28.876 -5.885 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 543 44.704 -29.131 -6.271 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 544 37.635 -29.081 -9.143 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 544 37.209 -29.308 -8.317 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 544 38.216 -29.819 -9.326 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 545 40.294 -24.529 -6.674 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 545 39.692 -25.084 -7.169 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 545 40.575 -23.862 -7.300 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 546 44.342 -23.672 -19.868 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 546 45.085 -23.086 -20.008 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 546 43.647 -23.104 -19.535 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 547 28.067 -25.491 -8.832 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 547 28.284 -26.423 -8.863 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 547 28.314 -25.217 -7.948 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 548 41.564 -24.275 -10.707 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 548 41.408 -23.597 -11.364 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 548 42.496 -24.203 -10.504 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 549 27.278 -23.604 -4.479 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 549 27.818 -23.821 -3.720 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 549 26.797 -24.410 -4.669 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 550 31.875 -24.685 -2.859 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 550 32.643 -25.144 -2.518 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 550 31.854 -24.911 -3.789 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 551 38.452 -26.305 -4.130 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 551 38.101 -27.161 -3.887 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 551 39.178 -26.162 -3.523 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 552 25.861 -22.515 -15.263 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 552 25.214 -22.977 -15.796 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 552 26.216 -23.187 -14.680 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 553 26.731 -24.434 -13.458 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 553 26.397 -25.315 -13.286 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 553 26.953 -24.089 -12.594 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 554 44.280 -23.625 -10.478 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 554 44.258 -23.440 -9.539 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 554 44.970 -23.056 -10.819 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 555 43.843 -24.058 -7.556 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 555 43.356 -24.793 -7.927 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 555 44.392 -24.451 -6.878 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 556 42.294 -28.268 -2.918 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 556 41.428 -28.373 -2.524 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 556 42.670 -27.509 -2.471 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 557 42.235 -26.295 -8.325 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 557 41.587 -25.970 -7.700 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 557 41.717 -26.735 -9.000 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 558 41.018 -23.535 -14.906 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 558 41.671 -23.882 -15.514 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 558 41.529 -23.046 -14.260 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 559 31.357 -25.631 -8.104 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 559 30.932 -24.822 -8.387 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 559 32.262 -25.546 -8.406 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 560 31.226 -22.775 -9.027 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 560 30.361 -22.703 -8.623 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 560 31.171 -22.228 -9.811 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 561 28.174 -23.752 -11.146 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 561 28.155 -24.177 -10.289 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 561 28.979 -24.070 -11.555 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 562 30.315 -25.042 -12.491 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 562 30.096 -25.958 -12.322 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 562 31.139 -24.902 -12.025 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 563 32.852 -24.572 -11.643 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 563 33.065 -25.460 -11.930 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 563 32.917 -24.606 -10.688 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 564 42.998 -23.755 -16.898 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 564 42.804 -24.503 -17.463 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 564 42.959 -22.997 -17.482 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 565 43.652 -26.386 -1.583 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 565 43.725 -25.447 -1.413 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 565 44.557 -26.691 -1.640 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 566 39.064 -23.655 -0.920 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 566 39.439 -24.399 -1.391 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 566 39.068 -23.925 -0.002 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 567 38.733 -23.729 1.829 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 567 37.798 -23.629 2.008 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 567 39.013 -24.438 2.407 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 568 42.446 -26.128 0.966 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 568 42.073 -26.954 1.276 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 568 42.723 -26.311 0.069 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 569 39.838 -28.152 -1.213 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 569 40.191 -28.532 -0.409 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 569 38.889 -28.245 -1.127 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 570 44.342 -23.672 -1.012 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 570 45.085 -23.086 -1.152 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 570 43.647 -23.104 -0.679 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 571 33.929 -27.040 -2.766 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 571 34.168 -27.788 -3.314 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 571 33.660 -27.428 -1.934 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 572 35.967 -25.177 -2.628 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 572 35.323 -25.808 -2.306 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 572 36.729 -25.708 -2.860 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 573 40.571 -25.360 -2.394 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 573 40.854 -26.154 -1.941 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 573 41.311 -25.127 -2.955 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 574 36.878 -28.403 -2.801 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 574 36.610 -28.223 -1.900 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 574 36.672 -29.329 -2.932 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 575 33.644 -22.544 -0.967 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 575 34.577 -22.386 -0.823 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 575 33.380 -21.869 -1.592 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 576 36.289 -23.318 -0.722 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 576 37.155 -22.952 -0.900 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 576 36.042 -23.758 -1.535 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 577 42.998 -23.755 1.958 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 577 42.804 -24.503 1.393 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 577 42.959 -22.997 1.374 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 578 40.405 -10.068 -50.709 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 578 39.964 -10.788 -50.259 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 578 40.392 -9.347 -50.079 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 579 37.516 -4.963 -50.497 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 579 38.136 -5.640 -50.770 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 579 37.308 -5.181 -49.589 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 580 35.088 -10.574 -48.605 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 580 35.392 -11.260 -49.199 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 580 35.810 -10.456 -47.987 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 581 43.751 -18.973 -47.744 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 581 43.800 -18.363 -47.008 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 581 44.177 -18.512 -48.467 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 582 44.143 -17.495 -45.508 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 582 43.454 -16.837 -45.603 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 582 44.158 -17.692 -44.571 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 583 37.563 -9.661 -53.387 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 583 37.267 -9.983 -54.238 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 583 37.239 -8.761 -53.345 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 584 39.169 -6.447 -51.736 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 584 39.594 -7.154 -52.221 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 584 39.486 -5.646 -52.153 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 585 40.328 -8.546 -53.227 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 585 40.071 -9.236 -53.839 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 585 40.399 -8.989 -52.382 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 586 39.790 -14.634 -44.958 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 586 39.870 -13.871 -44.386 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 586 39.189 -14.355 -45.649 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 587 38.214 -7.906 -47.776 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 587 37.973 -7.244 -47.128 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 587 38.016 -8.740 -47.351 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 588 32.785 -9.010 -43.793 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 588 32.473 -8.228 -43.337 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 588 32.135 -9.163 -44.479 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 589 36.490 -6.909 -52.906 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 589 36.964 -6.614 -52.128 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 589 35.927 -6.171 -53.139 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 590 31.024 -6.938 -43.029 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 590 31.032 -7.074 -43.977 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 590 30.108 -7.056 -42.777 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 591 35.548 -7.725 -44.297 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 591 35.635 -6.899 -43.822 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 591 34.684 -8.055 -44.048 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 592 41.721 -15.806 -42.693 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 592 41.314 -15.325 -43.413 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 592 41.762 -16.711 -43.000 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 593 39.478 -17.474 -44.472 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 593 38.964 -17.600 -43.675 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 593 39.323 -16.562 -44.717 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 594 36.215 -15.174 -42.388 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 594 35.652 -15.878 -42.068 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 594 37.041 -15.294 -41.921 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 595 36.169 -10.765 -44.384 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 595 35.823 -11.146 -43.578 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 595 35.969 -9.831 -44.313 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 596 33.799 -13.676 -42.324 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 596 33.503 -13.842 -43.219 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 596 34.730 -13.896 -42.334 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 597 42.446 -7.272 -55.602 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 597 42.073 -8.098 -55.292 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 597 42.723 -7.455 -56.499 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 598 39.606 -12.464 -48.580 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 598 38.678 -12.696 -48.607 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 598 40.057 -13.241 -48.910 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 599 34.091 -6.324 -46.556 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 599 34.454 -5.469 -46.789 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 599 34.623 -6.616 -45.815 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 600 37.635 -10.225 -46.855 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 600 37.209 -10.452 -46.029 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 600 38.216 -10.963 -47.038 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 601 41.875 -18.426 -44.137 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 601 40.959 -18.163 -44.225 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 601 42.211 -18.429 -45.034 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 602 40.477 -14.675 -50.041 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 602 39.680 -15.090 -50.370 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 602 40.922 -15.366 -49.550 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 603 31.875 -5.829 -40.571 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 603 32.643 -6.288 -40.230 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 603 31.854 -6.055 -41.501 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 604 33.840 -10.968 -41.804 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 604 33.512 -10.697 -42.662 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 604 33.992 -11.909 -41.892 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 605 36.984 -12.258 -41.165 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 605 37.937 -12.174 -41.193 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 605 36.824 -12.969 -40.546 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 606 38.714 -15.750 -40.600 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 606 38.906 -16.681 -40.711 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 606 39.571 -15.325 -40.610 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 607 40.030 -12.961 -42.522 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 607 39.749 -12.252 -43.100 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 607 40.973 -13.034 -42.673 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 608 39.136 -19.465 -40.792 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 608 39.039 -20.417 -40.798 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 608 38.814 -19.196 -39.931 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 609 43.595 -11.155 -55.116 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 609 44.445 -10.734 -54.988 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 609 43.600 -11.895 -54.508 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 610 43.989 -13.102 -53.292 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 610 43.263 -13.581 -52.894 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 610 44.570 -12.896 -52.560 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 611 41.776 -14.581 -52.729 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 611 41.626 -15.526 -52.749 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 611 41.422 -14.300 -51.885 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 612 42.098 -16.417 -48.831 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 612 43.031 -16.205 -48.865 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 612 41.863 -16.315 -47.908 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 613 42.127 -15.680 -46.055 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 613 41.284 -15.412 -45.689 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 613 42.570 -14.858 -46.266 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 614 44.410 -21.700 -40.701 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 614 44.760 -22.354 -41.307 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 614 44.557 -20.863 -41.141 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 615 43.930 -19.591 -42.352 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 615 43.013 -19.320 -42.388 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 615 44.053 -20.126 -43.136 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 616 41.018 -4.679 -52.618 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 616 41.671 -5.026 -53.226 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 616 41.529 -4.190 -51.972 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 617 35.937 -4.031 -47.563 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 617 35.480 -3.502 -48.217 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 617 36.100 -3.428 -46.838 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 618 42.998 -4.899 -54.610 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 618 42.804 -5.647 -55.175 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 618 42.959 -4.141 -55.194 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 619 36.699 -13.007 -30.155 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 619 36.661 -13.653 -29.450 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 619 36.376 -13.473 -30.926 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 620 35.088 -10.574 -29.749 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 620 35.392 -11.260 -30.343 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 620 35.810 -10.456 -29.131 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 621 38.229 -16.180 -29.421 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 621 38.372 -17.127 -29.401 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 621 38.123 -15.973 -30.350 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 622 39.106 -17.948 -33.748 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 622 39.752 -18.277 -33.123 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 622 39.616 -17.430 -34.371 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 623 33.160 -14.132 -32.171 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 623 33.776 -14.658 -31.662 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 623 32.574 -14.772 -32.575 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 624 32.763 -11.485 -27.787 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 624 32.023 -10.887 -27.684 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 624 33.477 -10.931 -28.103 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 625 41.217 -19.942 -28.088 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 625 40.481 -19.331 -28.126 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 625 41.901 -19.527 -28.614 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 626 36.487 -13.018 -36.122 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 626 35.775 -12.483 -36.473 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 626 37.178 -12.962 -36.782 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 627 36.541 -14.560 -39.083 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 627 37.242 -14.538 -38.432 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 627 36.843 -15.188 -39.739 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 628 39.790 -14.634 -26.102 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 628 39.870 -13.871 -25.530 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 628 39.189 -14.355 -26.793 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 629 31.538 -12.178 -33.287 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 629 31.208 -12.548 -34.106 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 629 32.126 -12.848 -32.941 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 630 32.905 -8.750 -30.606 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 630 32.810 -9.328 -31.363 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 630 33.634 -9.121 -30.110 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 631 38.764 -13.646 -37.485 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 631 39.343 -13.496 -36.738 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 631 39.178 -13.175 -38.208 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 632 42.462 -21.896 -37.672 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 632 41.563 -21.757 -37.377 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 632 42.714 -21.065 -38.074 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 633 35.548 -7.725 -25.441 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 633 35.635 -6.899 -24.966 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 633 34.684 -8.055 -25.192 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 634 29.616 -5.164 -33.854 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 634 29.768 -5.512 -32.975 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 634 28.765 -5.520 -34.109 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 635 41.721 -15.806 -23.837 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 635 41.314 -15.325 -24.557 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 635 41.762 -16.711 -24.144 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 636 39.478 -17.474 -25.616 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 636 38.964 -17.600 -24.819 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 636 39.323 -16.562 -25.861 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 637 37.113 -15.349 -35.020 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 637 36.704 -14.534 -35.312 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 637 37.833 -15.489 -35.635 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 638 36.215 -15.174 -23.532 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 638 35.652 -15.878 -23.212 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 638 37.041 -15.294 -23.065 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 639 38.117 -15.903 -32.206 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 639 37.922 -15.298 -32.921 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 639 38.299 -16.737 -32.641 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 640 37.381 -14.265 -27.535 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 640 37.705 -14.896 -28.178 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 640 36.941 -14.800 -26.874 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 641 38.564 -19.103 -29.487 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 641 37.887 -18.972 -28.823 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 641 38.078 -19.258 -30.297 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 642 35.479 -15.550 -30.864 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 642 36.043 -16.097 -31.411 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 642 35.331 -16.072 -30.075 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 643 38.547 -18.135 -38.566 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 643 37.609 -18.023 -38.717 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 643 38.844 -17.278 -38.260 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 644 36.169 -10.765 -25.528 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 644 35.823 -11.146 -24.722 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 644 35.969 -9.831 -25.457 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 645 39.265 -16.268 -36.905 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 645 40.157 -16.405 -36.586 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 645 39.322 -15.477 -37.442 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 646 33.799 -13.676 -23.468 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 646 33.503 -13.842 -24.363 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 646 34.730 -13.896 -23.478 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 647 32.149 -8.136 -33.591 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 647 32.676 -7.363 -33.792 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 647 31.269 -7.911 -33.893 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 648 33.576 -10.473 -34.015 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 648 33.335 -9.548 -33.973 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 648 32.836 -10.932 -33.619 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 649 34.091 -6.324 -27.700 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 649 34.454 -5.469 -27.933 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 649 34.623 -6.616 -26.959 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 650 32.260 -5.451 -34.470 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 650 31.310 -5.346 -34.418 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 650 32.611 -4.631 -34.125 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 651 32.866 -8.614 -38.022 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 651 33.013 -9.134 -37.232 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 651 32.863 -7.707 -37.716 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 652 37.151 -18.699 -27.233 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 652 37.849 -18.625 -26.583 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 652 36.770 -19.563 -27.078 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 653 37.935 -19.047 -36.136 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 653 38.155 -18.575 -36.939 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 653 38.493 -18.652 -35.465 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 654 35.671 -16.333 -26.116 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 654 35.790 -15.759 -25.359 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 654 36.326 -17.021 -26.001 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 655 32.942 -5.873 -37.291 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 655 33.103 -5.073 -37.792 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 655 32.745 -5.566 -36.406 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 656 41.875 -18.426 -25.281 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 656 40.959 -18.163 -25.369 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 656 42.211 -18.429 -26.178 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 657 29.935 -8.747 -38.615 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 657 30.527 -8.048 -38.339 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 657 30.394 -9.180 -39.334 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 658 31.875 -5.829 -21.715 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 658 32.643 -6.288 -21.374 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 658 31.854 -6.055 -22.645 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 659 27.185 -10.938 -22.381 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 659 27.329 -11.840 -22.667 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 659 26.412 -10.652 -22.869 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 660 31.526 -10.594 -40.249 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 660 31.590 -11.388 -39.718 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 660 32.179 -10.713 -40.938 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 661 33.840 -10.968 -22.948 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 661 33.512 -10.697 -23.806 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 661 33.992 -11.909 -23.036 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 662 32.675 -12.622 -37.943 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 662 32.216 -13.106 -37.257 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 662 32.930 -13.290 -38.579 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 663 33.746 -14.379 -39.680 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 663 33.566 -14.533 -40.608 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 663 34.697 -14.271 -39.636 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 664 34.298 -13.565 -26.772 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 664 35.049 -13.721 -27.345 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 664 33.959 -12.713 -27.048 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 665 34.786 -17.226 -23.017 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 665 34.550 -17.446 -22.115 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 665 34.003 -17.433 -23.526 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 666 37.502 -18.099 -23.941 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 666 36.554 -18.067 -23.809 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 666 37.814 -18.724 -23.287 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 667 39.136 -19.465 -21.936 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 667 39.039 -20.417 -21.942 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 667 38.814 -19.196 -21.075 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 668 33.644 -3.688 -38.679 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 668 34.577 -3.530 -38.535 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 668 33.380 -3.013 -39.304 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 669 41.854 -18.553 -40.377 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 669 42.464 -18.925 -39.740 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 669 41.017 -18.975 -40.181 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 670 42.127 -15.680 -27.199 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 670 41.284 -15.412 -26.833 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 670 42.570 -14.858 -27.410 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 671 44.410 -21.700 -21.845 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 671 44.760 -22.354 -22.451 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 671 44.557 -20.863 -22.285 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 672 42.100 -19.735 -35.362 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 672 42.282 -20.184 -34.537 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 672 41.500 -20.320 -35.826 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 673 43.930 -19.591 -23.496 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 673 43.013 -19.320 -23.532 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 673 44.053 -20.126 -24.280 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 674 35.668 -5.376 -24.001 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 674 35.853 -5.710 -23.123 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 674 36.515 -5.067 -24.323 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 675 42.931 -21.501 -25.677 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 675 42.118 -21.176 -26.065 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 675 43.164 -22.261 -26.210 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 676 31.226 -3.919 -27.883 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 676 30.361 -3.847 -27.479 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 676 31.171 -3.372 -28.667 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 677 32.852 -5.716 -30.499 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 677 33.065 -6.604 -30.786 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 677 32.917 -5.750 -29.544 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 678 36.361 -20.052 -31.354 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 678 35.686 -20.681 -31.099 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 678 36.925 -20.536 -31.957 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 679 41.503 -21.945 -31.242 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 679 42.107 -21.397 -31.743 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 679 40.634 -21.625 -31.482 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 680 43.230 -20.806 -32.908 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 680 43.842 -21.320 -33.435 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 680 43.613 -19.928 -32.885 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 681 38.824 -21.461 -32.070 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 681 38.900 -21.366 -33.019 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 681 38.548 -22.369 -31.941 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 682 40.177 -21.435 -36.377 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 682 39.474 -20.821 -36.587 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 682 39.732 -22.273 -36.246 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 683 29.243 -4.752 -39.806 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 683 28.975 -4.465 -38.933 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 683 30.014 -5.298 -39.654 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 684 31.384 -18.079 -13.293 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 684 31.427 -17.219 -13.711 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 684 30.926 -18.631 -13.926 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 685 33.160 -14.132 -13.315 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 685 33.776 -14.658 -12.806 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 685 32.574 -14.772 -13.719 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 686 37.563 -9.661 -15.675 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 686 37.267 -9.983 -16.526 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 686 37.239 -8.761 -15.633 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 687 36.487 -13.018 -17.266 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 687 35.775 -12.483 -17.617 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 687 37.178 -12.962 -17.926 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 688 36.541 -14.560 -20.227 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 688 37.242 -14.538 -19.576 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 688 36.843 -15.188 -20.883 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 689 36.490 -6.909 -15.194 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 689 36.964 -6.614 -14.416 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 689 35.927 -6.171 -15.427 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 690 42.462 -21.896 -18.816 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 690 41.563 -21.757 -18.521 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 690 42.714 -21.065 -19.218 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 691 30.528 -13.108 -16.842 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 691 30.236 -12.340 -17.333 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 691 29.854 -13.768 -17.005 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 692 44.569 -7.299 -5.461 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 692 44.520 -8.254 -5.498 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 692 43.743 -7.031 -5.059 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 693 35.962 -3.953 -16.779 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 693 35.887 -4.074 -17.725 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 693 35.995 -3.003 -16.660 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 694 29.616 -5.164 -14.998 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 694 29.768 -5.512 -14.119 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 694 28.765 -5.520 -15.253 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 695 35.814 -18.737 -20.329 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 695 35.560 -18.718 -19.406 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 695 35.557 -19.609 -20.630 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 696 31.577 -15.765 -14.981 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 696 30.684 -16.106 -15.040 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 696 32.028 -16.142 -15.737 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 697 25.938 -18.550 -14.176 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 697 26.569 -18.579 -13.456 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 697 26.388 -18.975 -14.906 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 698 27.213 -17.804 -18.752 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 698 27.687 -17.213 -19.337 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 698 26.495 -17.273 -18.405 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 699 34.159 -18.338 -13.895 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 699 33.248 -18.281 -13.606 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 699 34.664 -18.398 -13.084 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 700 28.987 -16.709 -15.068 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 700 28.098 -16.609 -15.408 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 700 29.283 -17.551 -15.414 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 701 41.851 -3.431 -4.354 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 701 42.051 -3.007 -5.189 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 701 42.507 -3.088 -3.747 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 702 30.481 -19.414 -15.590 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 702 30.164 -20.316 -15.625 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 702 31.262 -19.412 -16.142 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 703 34.649 -10.949 -17.909 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 703 33.905 -11.456 -18.232 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 703 34.515 -10.900 -16.963 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 704 38.547 -18.135 -19.710 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 704 37.609 -18.023 -19.861 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 704 38.844 -17.278 -19.404 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 705 32.149 -8.136 -14.735 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 705 32.676 -7.363 -14.936 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 705 31.269 -7.911 -15.037 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 706 27.904 -13.274 -20.148 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 706 28.520 -12.647 -19.769 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 706 27.042 -12.958 -19.877 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 707 33.576 -10.473 -15.159 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 707 33.335 -9.548 -15.117 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 707 32.836 -10.932 -14.763 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 708 32.260 -5.451 -15.614 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 708 31.310 -5.346 -15.562 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 708 32.611 -4.631 -15.269 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 709 40.294 -5.673 -6.674 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 709 39.692 -6.228 -7.169 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 709 40.575 -5.006 -7.300 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 710 28.067 -6.635 -8.832 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 710 28.284 -7.567 -8.863 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 710 28.314 -6.361 -7.948 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 711 33.929 -8.184 -21.622 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 711 34.168 -8.932 -22.170 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 711 33.660 -8.572 -20.790 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 712 32.866 -8.614 -19.166 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 712 33.013 -9.134 -18.376 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 712 32.863 -7.707 -18.860 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 713 29.319 -11.361 -18.656 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 713 28.633 -11.009 -18.089 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 713 29.842 -10.598 -18.902 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 714 37.935 -19.047 -17.280 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 714 38.155 -18.575 -18.083 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 714 38.493 -18.652 -16.609 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 715 35.135 -17.319 -16.445 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 715 35.947 -16.815 -16.399 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 715 34.890 -17.464 -15.531 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 716 36.019 -20.238 -15.507 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 716 35.672 -19.620 -14.862 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 716 36.677 -19.737 -15.988 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 717 32.942 -5.873 -18.435 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 717 33.103 -5.073 -18.936 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 717 32.745 -5.566 -17.550 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 718 29.935 -8.747 -19.759 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 718 30.527 -8.048 -19.483 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 718 30.394 -9.180 -20.478 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 719 28.251 -16.083 -20.643 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 719 28.206 -15.144 -20.464 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 719 27.363 -16.319 -20.913 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 720 29.059 -21.301 -11.970 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 720 28.830 -21.242 -12.897 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 720 28.616 -22.093 -11.663 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 721 27.989 -7.361 -15.809 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 721 27.157 -6.888 -15.782 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 721 28.535 -6.851 -16.408 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 722 27.278 -4.748 -4.479 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 722 27.818 -4.965 -3.720 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 722 26.797 -5.554 -4.669 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 723 31.875 -5.829 -2.859 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 723 32.643 -6.288 -2.518 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 723 31.854 -6.055 -3.789 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 724 38.452 -7.449 -4.130 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 724 38.101 -8.305 -3.887 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 724 39.178 -7.306 -3.523 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 725 32.675 -12.622 -19.087 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 725 32.216 -13.106 -18.401 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 725 32.930 -13.290 -19.723 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 726 33.746 -14.379 -20.824 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 726 33.566 -14.533 -21.752 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 726 34.697 -14.271 -20.780 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 727 28.963 -18.255 -4.032 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 727 29.174 -18.962 -4.643 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 727 28.851 -18.693 -3.188 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 728 34.097 -20.571 -2.999 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 728 33.966 -21.047 -3.820 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 728 33.498 -19.827 -3.055 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 729 33.644 -3.688 -19.823 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 729 34.577 -3.530 -19.679 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 729 33.380 -3.013 -20.448 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 730 27.212 -9.052 -20.340 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 730 28.126 -8.973 -20.067 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 730 27.219 -9.739 -21.007 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 731 25.861 -3.659 -15.263 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 731 25.214 -4.121 -15.796 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 731 26.216 -4.331 -14.680 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 732 26.731 -5.578 -13.458 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 732 26.397 -6.459 -13.286 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 732 26.953 -5.233 -12.594 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 733 42.294 -9.412 -2.918 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 733 41.428 -9.517 -2.524 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 733 42.670 -8.653 -2.471 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 734 41.854 -18.553 -21.521 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 734 42.464 -18.925 -20.884 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 734 41.017 -18.975 -21.325 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 735 42.100 -19.735 -16.506 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 735 42.282 -20.184 -15.681 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 735 41.500 -20.320 -16.970 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 736 43.966 -19.668 -19.978 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 736 44.379 -20.389 -20.454 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 736 44.648 -18.998 -19.920 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 737 26.247 -19.663 -16.851 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 737 25.322 -19.454 -16.981 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 737 26.701 -19.179 -17.541 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 738 35.668 -5.376 -5.145 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 738 35.853 -5.710 -4.267 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 738 36.515 -5.067 -5.467 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 739 38.013 -4.091 -5.901 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 739 38.690 -4.723 -6.141 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 739 38.335 -3.689 -5.093 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 740 28.759 -3.519 -8.057 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 740 28.039 -3.079 -8.508 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 740 28.393 -3.770 -7.208 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 741 31.226 -3.919 -9.027 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 741 30.361 -3.847 -8.623 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 741 31.171 -3.372 -9.811 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 742 28.174 -4.896 -11.146 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 742 28.155 -5.321 -10.289 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 742 28.979 -5.214 -11.555 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 743 30.315 -6.186 -12.491 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 743 30.096 -7.102 -12.322 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 743 31.139 -6.046 -12.025 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 744 32.852 -5.716 -11.643 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 744 33.065 -6.604 -11.930 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 744 32.917 -5.750 -10.688 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 745 41.503 -21.945 -12.386 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 745 42.107 -21.397 -12.887 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 745 40.634 -21.625 -12.626 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 746 43.230 -20.806 -14.052 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 746 43.842 -21.320 -14.579 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 746 43.613 -19.928 -14.029 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 747 28.687 -21.418 -14.676 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 747 27.910 -21.652 -15.184 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 747 29.218 -22.215 -14.668 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 748 33.267 -21.491 -14.863 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 748 34.141 -21.103 -14.893 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 748 33.131 -21.706 -13.940 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 749 38.824 -21.461 -13.214 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 749 38.900 -21.366 -14.163 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 749 38.548 -22.369 -13.085 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 750 40.177 -21.435 -17.521 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 750 39.474 -20.821 -17.731 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 750 39.732 -22.273 -17.390 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 751 27.425 -5.672 -17.975 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 751 26.740 -5.710 -18.643 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 751 27.428 -4.759 -17.687 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 752 28.645 -20.904 -5.159 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 752 28.279 -21.669 -4.716 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 752 29.558 -20.875 -4.872 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 753 30.618 -21.553 -3.623 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 753 31.517 -21.827 -3.808 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 753 30.232 -22.296 -3.159 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 754 42.216 -6.148 -4.748 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 754 41.434 -6.334 -5.268 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 754 42.144 -5.219 -4.531 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 755 39.106 -17.948 3.964 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 755 39.752 -18.277 4.589 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 755 39.616 -17.430 3.341 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 756 36.487 -13.018 1.590 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 756 35.775 -12.483 1.239 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 756 37.178 -12.962 0.930 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 757 39.893 -12.808 2.542 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 757 39.161 -12.580 3.115 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 757 40.340 -13.522 2.997 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 758 38.764 -13.646 0.227 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 758 39.343 -13.496 0.974 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 758 39.178 -13.175 -0.496 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 759 42.462 -21.896 0.040 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 759 41.563 -21.757 0.335 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 759 42.714 -21.065 -0.362 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 760 30.528 -13.108 2.014 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 760 30.236 -12.340 1.523 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 760 29.854 -13.768 1.851 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 761 43.652 -7.530 -1.583 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 761 43.725 -6.591 -1.413 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 761 44.557 -7.835 -1.640 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 762 31.577 -15.765 3.875 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 762 30.684 -16.106 3.816 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 762 32.028 -16.142 3.119 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 763 37.113 -15.349 2.692 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 763 36.704 -14.534 2.400 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 763 37.833 -15.489 2.077 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 764 27.213 -17.804 0.104 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 764 27.687 -17.213 -0.481 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 764 26.495 -17.273 0.451 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 765 32.640 -16.709 1.444 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 765 33.572 -16.580 1.622 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 765 32.425 -16.039 0.795 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 766 31.314 -15.514 -0.989 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 766 30.772 -15.894 -1.680 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 766 32.148 -15.320 -1.418 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 767 34.649 -10.949 0.947 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 767 33.905 -11.456 0.624 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 767 34.515 -10.900 1.893 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 768 39.265 -16.268 0.807 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 768 40.157 -16.405 1.126 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 768 39.322 -15.477 0.270 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 769 36.775 -9.490 -0.028 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 769 36.480 -8.664 0.354 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 769 36.072 -10.110 0.168 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 770 44.150 -16.058 0.501 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 770 43.596 -16.454 -0.171 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 770 44.251 -15.148 0.224 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 771 27.904 -13.274 -1.292 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 771 28.520 -12.647 -0.913 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 771 27.042 -12.958 -1.021 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 772 39.838 -9.296 -1.213 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 772 40.191 -9.676 -0.409 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 772 38.889 -9.389 -1.127 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 773 40.704 -10.623 1.013 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 773 40.427 -11.351 1.569 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 773 41.631 -10.504 1.219 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 774 33.929 -8.184 -2.766 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 774 34.168 -8.932 -3.314 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 774 33.660 -8.572 -1.934 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 775 32.866 -8.614 -0.310 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 775 33.013 -9.134 0.480 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 775 32.863 -7.707 -0.004 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 776 29.319 -11.361 0.200 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 776 28.633 -11.009 0.767 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 776 29.842 -10.598 -0.046 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 777 37.935 -19.047 1.576 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 777 38.155 -18.575 0.773 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 777 38.493 -18.652 2.247 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 778 35.135 -17.319 2.411 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 778 35.947 -16.815 2.457 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 778 34.890 -17.464 3.325 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 779 36.019 -20.238 3.349 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 779 35.672 -19.620 3.994 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 779 36.677 -19.737 2.868 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 780 31.676 -19.175 0.037 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 780 31.593 -18.286 0.383 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 780 32.566 -19.440 0.268 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 781 29.935 -8.747 -0.903 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 781 30.527 -8.048 -0.627 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 781 30.394 -9.180 -1.622 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 782 28.251 -16.083 -1.787 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 782 28.206 -15.144 -1.608 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 782 27.363 -16.319 -2.057 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 783 35.967 -6.321 -2.628 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 783 35.323 -6.952 -2.306 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 783 36.729 -6.852 -2.860 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 784 40.571 -6.504 -2.394 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 784 40.854 -7.298 -1.941 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 784 41.311 -6.271 -2.955 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 785 31.526 -10.594 -2.537 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 785 31.590 -11.388 -2.006 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 785 32.179 -10.713 -3.226 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 786 36.878 -9.547 -2.801 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 786 36.610 -9.367 -1.900 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 786 36.672 -10.473 -2.932 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 787 32.675 -12.622 -0.231 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 787 32.216 -13.106 0.455 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 787 32.930 -13.290 -0.867 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 788 27.212 -9.052 -1.484 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 788 28.126 -8.973 -1.211 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 788 27.219 -9.739 -2.151 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 789 43.595 -11.155 1.452 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 789 44.445 -10.734 1.580 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 789 43.600 -11.895 2.060 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 790 44.257 -13.201 -0.333 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 790 43.736 -12.844 -1.052 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 790 44.224 -12.526 0.345 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 791 42.606 -15.961 -1.782 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 791 42.703 -15.294 -2.462 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 791 42.466 -16.777 -2.264 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 792 41.486 -16.998 2.301 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 792 41.766 -17.905 2.426 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 792 42.245 -16.564 1.912 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 793 42.100 -19.735 2.350 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 793 42.282 -20.184 3.175 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 793 41.500 -20.320 1.886 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 794 26.247 -19.663 2.005 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 794 25.322 -19.454 1.875 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 794 26.701 -19.179 1.315 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 795 27.524 -21.620 -0.017 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 795 27.963 -21.009 -0.608 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 795 26.890 -21.082 0.457 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 796 40.177 -21.435 1.335 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 796 39.474 -20.821 1.125 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 796 39.732 -22.273 1.466 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 797 29.385 -19.704 -1.574 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 797 29.876 -20.334 -2.102 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 797 30.008 -19.408 -0.911 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 798 34.411 -19.411 0.883 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 798 34.589 -20.057 1.566 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 798 34.357 -18.577 1.350 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 799 29.243 -4.752 -2.094 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 799 28.975 -4.465 -1.221 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 799 30.014 -5.298 -1.942 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 800 43.751 -0.117 -47.744 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 800 43.800 0.493 -47.008 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 800 44.177 0.344 -48.467 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 801 38.229 2.676 -48.277 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 801 38.372 1.729 -48.257 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 801 38.123 2.883 -49.206 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 802 44.143 1.361 -45.508 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 802 43.454 2.019 -45.603 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 802 44.158 1.164 -44.571 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 803 40.870 0.199 -50.623 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 803 40.655 -0.567 -50.091 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 803 41.526 0.671 -50.110 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 804 43.856 5.216 -46.684 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 804 43.204 5.911 -46.595 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 804 44.321 5.426 -47.494 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 805 39.790 4.222 -44.958 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 805 39.870 4.985 -44.386 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 805 39.189 4.501 -45.649 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 806 41.721 3.050 -42.693 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 806 41.314 3.531 -43.413 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 806 41.762 2.145 -43.000 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 807 36.152 -2.374 -45.326 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 807 36.572 -2.789 -44.573 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 807 35.219 -2.552 -45.209 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 808 39.478 1.382 -44.472 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 808 38.964 1.256 -43.675 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 808 39.323 2.294 -44.717 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 809 38.564 -0.247 -48.343 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 809 37.887 -0.116 -47.679 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 809 38.078 -0.402 -49.153 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 810 44.114 8.598 -43.230 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 810 43.262 8.836 -43.597 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 810 44.704 8.581 -43.983 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 811 37.151 0.157 -46.089 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 811 37.849 0.231 -45.439 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 811 36.770 -0.707 -45.934 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 812 35.671 2.523 -44.972 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 812 35.790 3.097 -44.215 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 812 36.326 1.835 -44.857 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 813 38.714 3.106 -40.600 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 813 38.906 2.175 -40.711 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 813 39.571 3.531 -40.610 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 814 33.522 -2.692 -45.436 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 814 33.424 -1.745 -45.542 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 814 32.779 -3.064 -45.912 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 815 34.786 1.630 -41.873 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 815 34.550 1.410 -40.971 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 815 34.003 1.423 -42.382 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 816 37.502 0.757 -42.797 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 816 36.554 0.789 -42.665 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 816 37.814 0.132 -42.143 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 817 33.744 -3.398 -42.765 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 817 34.456 -4.038 -42.779 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 817 33.643 -3.131 -43.679 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 818 34.097 -1.715 -40.711 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 818 33.966 -2.191 -41.532 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 818 33.498 -0.971 -40.767 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 819 42.632 6.245 -43.090 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 819 43.215 5.511 -42.899 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 819 43.196 7.017 -43.044 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 820 44.129 4.148 -42.406 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 820 43.266 3.769 -42.571 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 820 44.733 3.409 -42.480 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 821 42.098 2.439 -48.831 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 821 43.031 2.651 -48.865 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 821 41.863 2.541 -47.908 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 822 42.127 3.176 -46.055 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 822 41.284 3.444 -45.689 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 822 42.570 3.998 -46.266 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 823 41.503 -3.089 -50.098 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 823 42.107 -2.541 -50.599 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 823 40.634 -2.769 -50.338 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 824 43.230 -1.950 -51.764 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 824 43.842 -2.464 -52.291 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 824 43.613 -1.072 -51.741 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 825 38.824 -2.605 -50.926 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 825 38.900 -2.510 -51.875 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 825 38.548 -3.513 -50.797 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 826 30.618 -2.697 -41.335 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 826 31.517 -2.971 -41.520 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 826 30.232 -3.440 -40.871 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 827 37.766 6.594 -33.574 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 827 37.855 7.538 -33.706 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 827 37.127 6.319 -34.232 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 828 36.699 5.849 -30.155 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 828 36.661 5.203 -29.450 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 828 36.376 5.383 -30.926 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 829 40.405 8.788 -31.853 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 829 39.964 8.068 -31.403 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 829 40.392 9.509 -31.223 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 830 35.088 8.282 -29.749 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 830 35.392 7.596 -30.343 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 830 35.810 8.400 -29.131 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 831 31.384 0.777 -32.149 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 831 31.427 1.637 -32.567 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 831 30.926 0.225 -32.782 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 832 33.160 4.724 -32.171 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 832 33.776 4.198 -31.662 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 832 32.574 4.084 -32.575 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 833 37.563 9.195 -34.531 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 833 37.267 8.873 -35.382 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 833 37.239 10.095 -34.489 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 834 40.917 10.628 -29.505 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 834 39.975 10.686 -29.344 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 834 41.193 11.534 -29.642 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 835 40.328 10.310 -34.371 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 835 40.071 9.620 -34.983 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 835 40.399 9.867 -33.526 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 836 42.014 8.876 -25.894 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 836 42.154 8.285 -26.633 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 836 42.182 9.749 -26.250 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 837 36.487 5.838 -36.122 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 837 35.775 6.373 -36.473 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 837 37.178 5.894 -36.782 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 838 36.541 4.296 -39.083 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 838 37.242 4.318 -38.432 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 838 36.843 3.668 -39.739 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 839 39.893 6.048 -35.170 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 839 39.161 6.276 -34.597 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 839 40.340 5.334 -34.715 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 840 38.214 10.950 -28.920 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 840 37.973 11.612 -28.272 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 840 38.016 10.116 -28.495 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 841 38.764 5.210 -37.485 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 841 39.343 5.360 -36.738 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 841 39.178 5.681 -38.208 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 842 44.569 11.557 -24.317 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 842 44.520 10.602 -24.354 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 842 43.743 11.825 -23.915 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 843 31.489 -2.096 -29.844 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 843 30.628 -2.183 -30.252 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 843 31.467 -1.240 -29.417 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 844 40.241 6.243 -39.855 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 844 40.283 6.020 -40.785 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 844 41.090 6.641 -39.665 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 845 35.814 0.119 -39.185 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 845 35.560 0.138 -38.262 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 845 35.557 -0.753 -39.486 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 846 31.580 2.870 -28.749 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 846 30.938 2.829 -28.040 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 846 31.617 3.796 -28.987 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 847 31.577 3.091 -33.837 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 847 30.684 2.750 -33.896 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 847 32.028 2.714 -34.593 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 848 36.215 3.682 -23.532 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 848 35.652 2.978 -23.212 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 848 37.041 3.562 -23.065 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 849 32.696 0.564 -40.084 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 849 32.265 0.119 -39.354 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 849 31.978 0.936 -40.596 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 850 32.640 2.147 -36.268 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 850 33.572 2.276 -36.090 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 850 32.425 2.817 -36.917 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 851 41.851 15.425 -23.210 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 851 42.051 15.849 -24.045 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 851 42.507 15.768 -22.603 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 852 35.479 3.306 -30.864 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 852 36.043 2.759 -31.411 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 852 35.331 2.784 -30.075 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 853 30.481 -0.558 -34.446 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 853 30.164 -1.460 -34.481 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 853 31.262 -0.556 -34.998 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 854 34.105 1.694 -28.450 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 854 33.270 2.148 -28.340 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 854 34.629 1.970 -27.698 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 855 36.169 8.091 -25.528 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 855 35.823 7.710 -24.722 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 855 35.969 9.025 -25.457 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 856 33.799 5.180 -23.468 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 856 33.503 5.014 -24.363 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 856 34.730 4.960 -23.478 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 857 38.419 10.553 -25.578 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 857 37.518 10.736 -25.846 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 857 38.453 10.812 -24.657 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 858 37.635 8.631 -27.999 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 858 37.209 8.404 -27.173 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 858 38.216 7.893 -28.182 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 859 40.294 13.183 -25.530 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 859 39.692 12.628 -26.025 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 859 40.575 13.850 -26.156 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 860 40.704 8.233 -36.699 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 860 40.427 7.505 -36.143 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 860 41.631 8.352 -36.493 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 861 35.671 2.523 -26.116 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 861 35.790 3.097 -25.359 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 861 36.326 1.835 -26.001 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 862 31.676 -0.319 -37.675 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 862 31.593 0.570 -37.329 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 862 32.566 -0.584 -37.444 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 863 41.564 13.437 -29.563 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 863 41.408 14.115 -30.220 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 863 42.496 13.509 -29.360 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 864 38.452 11.407 -22.986 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 864 38.101 10.551 -22.743 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 864 39.178 11.550 -22.379 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 865 39.575 7.804 -25.565 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 865 40.320 8.392 -25.685 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 865 38.818 8.386 -25.502 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 866 36.984 6.598 -22.309 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 866 37.937 6.682 -22.337 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 866 36.824 5.887 -21.690 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 867 43.136 6.832 -40.235 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 867 42.863 6.407 -41.048 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 867 43.176 7.763 -40.452 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 868 32.304 1.482 -24.504 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 868 32.454 0.753 -25.107 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 868 32.306 2.259 -25.063 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 869 32.716 -0.148 -27.012 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 869 33.252 0.303 -27.664 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 869 31.864 -0.256 -27.434 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 870 34.298 5.291 -26.772 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 870 35.049 5.135 -27.345 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 870 33.959 6.143 -27.048 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 871 38.714 3.106 -21.744 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 871 38.906 2.175 -21.855 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 871 39.571 3.531 -21.754 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 872 33.522 -2.692 -26.580 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 872 33.424 -1.745 -26.686 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 872 32.779 -3.064 -27.056 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 873 34.786 1.630 -23.017 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 873 34.550 1.410 -22.115 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 873 34.003 1.423 -23.526 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 874 33.744 -3.398 -23.909 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 874 34.456 -4.038 -23.923 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 874 33.643 -3.131 -24.823 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 875 34.097 -1.715 -21.855 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 875 33.966 -2.191 -22.676 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 875 33.498 -0.971 -21.911 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 876 44.280 14.087 -29.334 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 876 44.258 14.272 -28.395 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 876 44.970 14.656 -29.675 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 877 43.843 13.654 -26.412 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 877 43.356 12.919 -26.783 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 877 44.392 13.261 -25.734 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 878 43.595 7.701 -36.260 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 878 44.445 8.122 -36.132 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 878 43.600 6.961 -35.652 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 879 43.989 5.754 -34.436 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 879 43.263 5.275 -34.038 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 879 44.570 5.960 -33.704 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 880 42.235 11.417 -27.181 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 880 41.587 11.742 -26.556 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 880 41.717 10.977 -27.856 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 881 44.257 5.655 -38.045 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 881 43.736 6.012 -38.764 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 881 44.224 6.330 -37.367 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 882 34.411 -0.555 -36.829 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 882 34.589 -1.201 -36.146 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 882 34.357 0.279 -36.362 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 883 42.216 12.708 -23.604 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 883 41.434 12.522 -24.124 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 883 42.144 13.637 -23.387 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 884 37.766 6.594 -14.718 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 884 37.855 7.538 -14.850 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 884 37.127 6.319 -15.376 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 885 36.699 5.849 -11.299 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 885 36.661 5.203 -10.594 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 885 36.376 5.383 -12.070 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 886 35.088 8.282 -10.893 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 886 35.392 7.596 -11.487 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 886 35.810 8.400 -10.275 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 887 33.160 4.724 -13.315 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 887 33.776 4.198 -12.806 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 887 32.574 4.084 -13.719 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 888 37.563 9.195 -15.675 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 888 37.267 8.873 -16.526 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 888 37.239 10.095 -15.633 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 889 40.917 10.628 -10.649 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 889 39.975 10.686 -10.488 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 889 41.193 11.534 -10.786 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 890 34.220 -2.999 -11.766 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 890 34.103 -3.948 -11.820 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 890 33.365 -2.667 -11.493 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 891 39.169 12.409 -14.024 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 891 39.594 11.702 -14.509 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 891 39.486 13.210 -14.441 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 892 36.487 5.838 -17.266 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 892 35.775 6.373 -17.617 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 892 37.178 5.894 -17.926 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 893 36.541 4.296 -20.227 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 893 37.242 4.318 -19.576 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 893 36.843 3.668 -20.883 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 894 39.790 4.222 -7.246 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 894 39.870 4.985 -6.674 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 894 39.189 4.501 -7.937 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 895 38.214 10.950 -10.064 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 895 37.973 11.612 -9.416 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 895 38.016 10.116 -9.639 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 896 38.764 5.210 -18.629 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 896 39.343 5.360 -17.882 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 896 39.178 5.681 -19.352 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 897 36.490 11.947 -15.194 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 897 36.964 12.242 -14.416 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 897 35.927 12.685 -15.427 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 898 44.569 11.557 -5.461 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 898 44.520 10.602 -5.498 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 898 43.743 11.825 -5.059 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 899 39.064 14.057 -19.776 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 899 39.439 13.313 -20.247 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 899 39.068 13.787 -18.858 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 900 38.733 13.983 -17.027 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 900 37.798 14.083 -16.848 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 900 39.013 13.274 -16.449 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 901 41.721 3.050 -4.981 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 901 41.314 3.531 -5.701 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 901 41.762 2.145 -5.288 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 902 31.489 -2.096 -10.988 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 902 30.628 -2.183 -11.396 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 902 31.467 -1.240 -10.561 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 903 36.152 -2.374 -7.614 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 903 36.572 -2.789 -6.861 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 903 35.219 -2.552 -7.497 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 904 39.478 1.382 -6.760 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 904 38.964 1.256 -5.963 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 904 39.323 2.294 -7.005 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 905 40.241 6.243 -20.999 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 905 40.283 6.020 -21.929 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 905 41.090 6.641 -20.809 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 906 35.814 0.119 -20.329 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 906 35.560 0.138 -19.406 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 906 35.557 -0.753 -20.630 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 907 37.113 3.507 -16.164 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 907 36.704 4.322 -16.456 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 907 37.833 3.367 -16.779 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 908 32.696 0.564 -21.228 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 908 32.265 0.119 -20.498 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 908 31.978 0.936 -21.740 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 909 37.381 4.591 -8.679 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 909 37.705 3.960 -9.322 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 909 36.941 4.056 -8.018 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 910 34.159 0.518 -13.895 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 910 33.248 0.575 -13.606 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 910 34.664 0.458 -13.084 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 911 35.479 3.306 -12.008 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 911 36.043 2.759 -12.555 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 911 35.331 2.784 -11.219 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 912 34.105 1.694 -9.594 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 912 33.270 2.148 -9.484 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 912 34.629 1.970 -8.842 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 913 34.649 7.907 -17.909 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 913 33.905 7.400 -18.232 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 913 34.515 7.956 -16.963 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 914 36.775 9.366 -18.884 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 914 36.480 10.192 -18.502 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 914 36.072 8.746 -18.688 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 915 38.419 10.553 -6.722 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 915 37.518 10.736 -6.990 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 915 38.453 10.812 -5.801 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 916 44.114 8.598 -5.518 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 916 43.262 8.836 -5.885 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 916 44.704 8.581 -6.271 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 917 37.635 8.631 -9.143 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 917 37.209 8.404 -8.317 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 917 38.216 7.893 -9.326 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 918 40.294 13.183 -6.674 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 918 39.692 12.628 -7.169 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 918 40.575 13.850 -7.300 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 919 37.151 0.157 -8.377 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 919 37.849 0.231 -7.727 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 919 36.770 -0.707 -8.222 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 920 35.604 11.940 -18.417 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 920 34.787 12.437 -18.364 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 920 36.133 12.415 -19.057 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 921 35.135 1.537 -16.445 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 921 35.947 2.041 -16.399 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 921 34.890 1.392 -15.531 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 922 35.671 2.523 -7.260 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 922 35.790 3.097 -6.503 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 922 36.326 1.835 -7.145 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 923 36.019 -1.382 -15.507 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 923 35.672 -0.764 -14.862 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 923 36.677 -0.881 -15.988 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 924 41.875 0.430 -6.425 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 924 40.959 0.693 -6.513 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 924 42.211 0.427 -7.322 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 925 41.564 13.437 -10.707 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 925 41.408 14.115 -11.364 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 925 42.496 13.509 -10.504 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 926 35.967 12.535 -21.484 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 926 35.323 11.904 -21.162 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 926 36.729 12.004 -21.716 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 927 36.878 9.309 -21.657 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 927 36.610 9.489 -20.756 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 927 36.672 8.383 -21.788 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 928 39.575 7.804 -6.709 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 928 40.320 8.392 -6.829 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 928 38.818 8.386 -6.646 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 929 32.716 -0.148 -8.156 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 929 33.252 0.303 -8.808 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 929 31.864 -0.256 -8.578 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 930 34.298 5.291 -7.916 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 930 35.049 5.135 -8.489 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 930 33.959 6.143 -8.192 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 931 40.030 5.895 -4.810 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 931 39.749 6.604 -5.388 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 931 40.973 5.822 -4.961 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 932 33.522 -2.692 -7.724 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 932 33.424 -1.745 -7.830 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 932 32.779 -3.064 -8.200 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 933 37.502 0.757 -5.085 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 933 36.554 0.789 -4.953 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 933 37.814 0.132 -4.431 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 934 33.744 -3.398 -5.053 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 934 34.456 -4.038 -5.067 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 934 33.643 -3.131 -5.967 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 935 44.280 14.087 -10.478 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 935 44.258 14.272 -9.539 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 935 44.970 14.656 -10.819 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 936 43.843 13.654 -7.556 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 936 43.356 12.919 -7.927 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 936 44.392 13.261 -6.878 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 937 42.294 9.444 -2.918 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 937 41.428 9.339 -2.524 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 937 42.670 10.203 -2.471 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 938 42.235 11.417 -8.325 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 938 41.587 11.742 -7.700 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 938 41.717 10.977 -9.000 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 939 42.632 6.245 -5.378 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 939 43.215 5.511 -5.187 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 939 43.196 7.017 -5.332 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 940 44.410 -2.844 -2.989 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 940 44.760 -3.498 -3.595 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 940 44.557 -2.007 -3.429 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 941 43.930 -0.735 -4.640 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 941 43.013 -0.464 -4.676 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 941 44.053 -1.270 -5.424 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 942 41.018 14.177 -14.906 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 942 41.671 13.830 -15.514 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 942 41.529 14.666 -14.260 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 943 33.267 -2.635 -14.863 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 943 34.141 -2.247 -14.893 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 943 33.131 -2.850 -13.940 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 944 34.411 -0.555 -17.973 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 944 34.589 -1.201 -17.290 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 944 34.357 0.279 -17.506 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 945 36.289 14.394 -19.578 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 945 37.155 14.760 -19.756 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 945 36.042 13.954 -20.391 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 946 42.998 13.957 -16.898 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 946 42.804 13.209 -17.463 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 946 42.959 14.715 -17.482 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 947 30.618 -2.697 -3.623 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 947 31.517 -2.971 -3.808 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 947 30.232 -3.440 -3.159 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 948 39.040 -3.365 -3.441 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 948 39.116 -3.791 -2.587 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 948 39.933 -3.351 -3.783 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 949 42.216 12.708 -4.748 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 949 41.434 12.522 -5.268 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 949 42.144 13.637 -4.531 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 950 43.136 6.832 -2.523 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 950 42.863 6.407 -3.336 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 950 43.176 7.763 -2.740 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 951 44.257 5.655 -0.333 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 951 43.736 6.012 -1.052 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 951 44.224 6.330 0.345 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 952 42.606 2.895 -1.782 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 952 42.703 3.562 -2.462 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 952 42.466 2.079 -2.264 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 953 41.854 0.303 -2.665 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 953 42.464 -0.069 -2.028 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 953 41.017 -0.119 -2.469 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 954 43.966 -0.812 -1.122 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 954 44.379 -1.533 -1.598 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 954 44.648 -0.142 -1.064 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 955 44.410 16.012 -21.845 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 955 44.760 15.358 -22.451 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 955 44.557 16.849 -22.285 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 956 39.040 15.491 -22.297 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 956 39.116 15.065 -21.443 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 956 39.933 15.505 -22.639 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 957 42.462 15.816 -18.816 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 957 41.563 15.955 -18.521 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 957 42.714 16.647 -19.218 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 958 43.966 18.044 -19.978 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 958 44.379 17.323 -20.454 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 958 44.648 18.714 -19.920 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 959 40.177 16.277 -17.521 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 959 39.474 16.891 -17.731 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 959 39.732 15.439 -17.390 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 960 54.818 -22.809 -35.635 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 960 54.743 -22.930 -36.581 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 960 54.851 -21.859 -35.516 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 961 48.472 -24.020 -33.854 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 961 48.624 -24.368 -32.975 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 961 47.621 -24.376 -34.109 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 962 60.707 -22.287 -23.210 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 962 60.907 -21.863 -24.045 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 962 61.363 -21.944 -22.603 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 963 51.116 -24.307 -34.470 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 963 50.166 -24.202 -34.418 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 963 51.467 -23.487 -34.125 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 964 51.798 -24.729 -37.291 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 964 51.959 -23.929 -37.792 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 964 51.601 -24.422 -36.406 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 965 52.500 -22.544 -38.679 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 965 53.433 -22.386 -38.535 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 965 52.236 -21.869 -39.304 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 966 44.717 -22.515 -34.119 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 966 44.070 -22.977 -34.652 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 966 45.072 -23.187 -33.536 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 967 45.587 -24.434 -32.314 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 967 45.253 -25.315 -32.142 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 967 45.809 -24.089 -31.450 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 968 47.615 -22.375 -26.913 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 968 46.895 -21.935 -27.364 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 968 47.249 -22.626 -26.064 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 969 54.793 -22.887 -28.707 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 969 54.336 -22.358 -29.361 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 969 54.956 -22.284 -27.982 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 970 47.030 -23.752 -30.002 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 970 47.011 -24.177 -29.145 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 970 47.835 -24.070 -30.411 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 971 46.281 -24.528 -36.831 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 971 45.596 -24.566 -37.499 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 971 46.284 -23.615 -36.543 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 972 55.145 -23.318 -38.434 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 972 56.011 -22.952 -38.612 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 972 54.898 -23.758 -39.247 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 973 48.099 -23.608 -39.806 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 973 47.831 -23.321 -38.933 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 973 48.870 -24.154 -39.654 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 974 54.818 -22.809 -16.779 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 974 54.743 -22.930 -17.725 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 974 54.851 -21.859 -16.660 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 975 48.472 -24.020 -14.998 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 975 48.624 -24.368 -14.119 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 975 47.621 -24.376 -15.253 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 976 51.116 -24.307 -15.614 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 976 50.166 -24.202 -15.562 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 976 51.467 -23.487 -15.269 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 977 46.923 -25.491 -8.832 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 977 47.140 -26.423 -8.863 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 977 47.170 -25.217 -7.948 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 978 46.845 -26.217 -15.809 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 978 46.013 -25.744 -15.782 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 978 47.391 -25.707 -16.408 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 979 46.134 -23.604 -4.479 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 979 46.674 -23.821 -3.720 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 979 45.653 -24.410 -4.669 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 980 44.717 -22.515 -15.263 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 980 44.070 -22.977 -15.796 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 980 45.072 -23.187 -14.680 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 981 45.587 -24.434 -13.458 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 981 45.253 -25.315 -13.286 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 981 45.809 -24.089 -12.594 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 982 47.259 -26.606 -4.363 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 982 46.438 -26.431 -4.823 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 982 47.007 -26.679 -3.442 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 983 47.615 -22.375 -8.057 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 983 46.895 -21.935 -8.508 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 983 47.249 -22.626 -7.208 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 984 50.082 -22.775 -9.027 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 984 49.217 -22.703 -8.623 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 984 50.027 -22.228 -9.811 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 985 47.030 -23.752 -11.146 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 985 47.011 -24.177 -10.289 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 985 47.835 -24.070 -11.555 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 986 49.171 -25.042 -12.491 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 986 48.952 -25.958 -12.322 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 986 49.995 -24.902 -12.025 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 987 51.708 -24.572 -11.643 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 987 51.921 -25.460 -11.930 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 987 51.773 -24.606 -10.688 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 988 46.281 -24.528 -17.975 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 988 45.596 -24.566 -18.643 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 988 46.284 -23.615 -17.687 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 989 48.099 -23.608 -20.950 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 989 47.831 -23.321 -20.077 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 989 48.870 -24.154 -20.798 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 990 46.068 -27.908 -1.484 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 990 46.982 -27.829 -1.211 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 990 46.075 -28.595 -2.151 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 991 44.717 -22.515 3.593 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 991 44.070 -22.977 3.060 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 991 45.072 -23.187 4.176 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 992 46.281 -24.528 0.881 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 992 45.596 -24.566 0.213 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 992 46.284 -23.615 1.169 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 993 48.099 -23.608 -2.094 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 993 47.831 -23.321 -1.221 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 993 48.870 -24.154 -1.942 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 994 56.622 -12.262 -52.430 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 994 56.711 -11.318 -52.562 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 994 55.983 -12.537 -53.088 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 995 55.555 -13.007 -49.011 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 995 55.517 -13.653 -48.306 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 995 55.232 -13.473 -49.782 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 996 59.261 -10.068 -50.709 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 996 58.820 -10.788 -50.259 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 996 59.248 -9.347 -50.079 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 997 45.457 -15.282 -53.490 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 997 45.009 -14.436 -53.508 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 997 44.896 -15.862 -54.005 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 998 46.167 -13.120 -51.364 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 998 46.381 -13.890 -50.837 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 998 46.905 -13.031 -51.967 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 999 56.372 -4.963 -50.497 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 999 56.992 -5.640 -50.770 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 999 56.164 -5.181 -49.589 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1000 57.085 -16.180 -48.277 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1000 57.228 -17.127 -48.257 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1000 56.979 -15.973 -49.206 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1001 50.240 -18.079 -51.005 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1001 50.283 -17.219 -51.423 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1001 49.782 -18.631 -51.638 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1002 52.016 -14.132 -51.027 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1002 52.632 -14.658 -50.518 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1002 51.430 -14.772 -51.431 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1003 62.999 -17.495 -45.508 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1003 62.310 -16.837 -45.603 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1003 63.014 -17.692 -44.571 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1004 49.050 -19.161 -46.931 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1004 48.831 -18.631 -47.697 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1004 48.382 -18.934 -46.283 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1005 56.419 -9.661 -53.387 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1005 56.123 -9.983 -54.238 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1005 56.095 -8.761 -53.345 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1006 46.148 -9.850 -55.074 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1006 45.876 -9.621 -55.963 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1006 46.193 -9.012 -54.614 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1007 59.773 -8.228 -48.361 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1007 58.831 -8.170 -48.200 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1007 60.049 -7.322 -48.498 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1008 58.025 -6.447 -51.736 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1008 58.450 -7.154 -52.221 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1008 58.342 -5.646 -52.153 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1009 60.870 -9.980 -44.750 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1009 61.010 -10.571 -45.489 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1009 61.038 -9.107 -45.106 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1010 62.712 -13.640 -46.684 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1010 62.060 -12.945 -46.595 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1010 63.177 -13.430 -47.494 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1011 50.394 -12.178 -52.143 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1011 50.064 -12.548 -52.962 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1011 50.982 -12.848 -51.797 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1012 55.346 -6.909 -52.906 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1012 55.820 -6.614 -52.128 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1012 54.783 -6.171 -53.139 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1013 49.384 -13.108 -54.554 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1013 49.092 -12.340 -55.045 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1013 48.710 -13.768 -54.717 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1014 63.425 -7.299 -43.173 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1014 63.376 -8.254 -43.210 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1014 62.599 -7.031 -42.771 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1015 48.472 -5.164 -52.710 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1015 48.624 -5.512 -51.831 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1015 47.621 -5.520 -52.965 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1016 50.345 -20.952 -48.700 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1016 49.484 -21.039 -49.108 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1016 50.323 -20.096 -48.273 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1017 58.334 -17.474 -44.472 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1017 57.820 -17.600 -43.675 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1017 58.179 -16.562 -44.717 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1018 50.433 -15.765 -52.693 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1018 49.540 -16.106 -52.752 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1018 50.884 -16.142 -53.449 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1019 44.794 -18.550 -51.888 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1019 45.425 -18.579 -51.168 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1019 45.244 -18.975 -52.618 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1020 56.237 -14.265 -46.391 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1020 56.561 -14.896 -47.034 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1020 55.797 -14.800 -45.730 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1021 53.015 -18.338 -51.607 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1021 52.104 -18.281 -51.318 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1021 53.520 -18.398 -50.796 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1022 47.843 -16.709 -52.780 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1022 46.954 -16.609 -53.120 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1022 48.139 -17.551 -53.126 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1023 60.707 -3.431 -42.066 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1023 60.907 -3.007 -42.901 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1023 61.363 -3.088 -41.459 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1024 54.335 -15.550 -49.720 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1024 54.899 -16.097 -50.267 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1024 54.187 -16.072 -48.931 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1025 49.337 -19.414 -53.302 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1025 49.020 -20.316 -53.337 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1025 50.118 -19.412 -53.854 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1026 52.961 -17.162 -47.306 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1026 52.126 -16.708 -47.196 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1026 53.485 -16.886 -46.554 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1027 60.655 -11.816 -46.835 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1027 61.297 -11.359 -47.378 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1027 59.825 -11.703 -47.297 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1028 62.970 -10.258 -43.230 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1028 62.118 -10.020 -43.597 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1028 63.560 -10.275 -43.983 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1029 58.462 -12.464 -48.580 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1029 57.534 -12.696 -48.607 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1029 58.913 -13.241 -48.910 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1030 51.005 -8.136 -52.447 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1030 51.532 -7.363 -52.648 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1030 50.125 -7.911 -52.749 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1031 52.432 -10.473 -52.871 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1031 52.191 -9.548 -52.829 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1031 51.692 -10.932 -52.475 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1032 51.116 -5.451 -53.326 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1032 50.166 -5.346 -53.274 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1032 51.467 -4.631 -52.981 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1033 47.272 -18.440 -44.979 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1033 46.379 -18.101 -45.046 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1033 47.173 -19.295 -44.561 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1034 56.007 -18.699 -46.089 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1034 56.705 -18.625 -45.439 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1034 55.626 -19.563 -45.934 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1035 54.527 -16.333 -44.972 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1035 54.646 -15.759 -44.215 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1035 55.182 -17.021 -44.857 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1036 60.731 -18.426 -44.137 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1036 59.815 -18.163 -44.225 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1036 61.067 -18.429 -45.034 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1037 59.333 -14.675 -50.041 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1037 58.536 -15.090 -50.370 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1037 59.778 -15.366 -49.550 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1038 60.420 -5.419 -48.419 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1038 60.264 -4.741 -49.076 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1038 61.352 -5.347 -48.216 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1039 47.915 -21.301 -49.682 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1039 47.686 -21.242 -50.609 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1039 47.472 -22.093 -49.375 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1040 46.845 -7.361 -53.521 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1040 46.013 -6.888 -53.494 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1040 47.391 -6.851 -54.120 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1041 51.572 -19.004 -45.868 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1041 52.108 -18.553 -46.520 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1041 50.720 -19.112 -46.290 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1042 52.378 -21.548 -45.436 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1042 52.280 -20.601 -45.542 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1042 51.635 -21.920 -45.912 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1043 56.358 -18.099 -42.797 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1043 55.410 -18.067 -42.665 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1043 56.670 -18.724 -42.143 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1044 57.992 -19.465 -40.792 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1044 57.895 -20.417 -40.798 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1044 57.670 -19.196 -39.931 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1045 52.600 -22.254 -42.765 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1045 53.312 -22.894 -42.779 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1045 52.499 -21.987 -43.679 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1046 52.953 -20.571 -40.711 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1046 52.822 -21.047 -41.532 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1046 52.354 -19.827 -40.767 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1047 44.717 -3.659 -52.975 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1047 44.070 -4.121 -53.508 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1047 45.072 -4.331 -52.392 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1048 62.699 -5.202 -45.268 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1048 62.212 -5.937 -45.639 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1048 63.248 -5.595 -44.590 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1049 62.604 -10.317 -48.344 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1049 63.438 -10.695 -48.625 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1049 62.716 -9.374 -48.463 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1050 61.091 -7.439 -46.037 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1050 60.443 -7.114 -45.412 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1050 60.573 -7.879 -46.712 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1051 62.985 -14.708 -42.406 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1051 62.122 -15.087 -42.571 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1051 63.589 -15.447 -42.480 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1052 60.983 -15.680 -46.055 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1052 60.140 -15.412 -45.689 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1052 61.426 -14.858 -46.266 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1053 45.265 -17.232 -42.578 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1053 46.184 -17.354 -42.342 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1053 44.815 -17.982 -42.189 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1054 46.486 -18.920 -49.687 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1054 46.931 -19.712 -49.385 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1054 46.952 -18.204 -49.256 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1055 45.067 -20.925 -46.219 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1055 44.402 -21.171 -45.576 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1055 44.624 -20.303 -46.796 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1056 59.725 -3.583 -46.323 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1056 59.543 -2.667 -46.534 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1056 59.901 -3.993 -47.170 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1057 46.281 -5.672 -55.687 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1057 45.596 -5.710 -56.355 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1057 46.284 -4.759 -55.399 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1058 47.501 -20.904 -42.871 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1058 47.135 -21.669 -42.428 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1058 48.414 -20.875 -42.584 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1059 49.474 -21.553 -41.335 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1059 50.373 -21.827 -41.520 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1059 49.088 -22.296 -40.871 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1060 61.072 -6.148 -42.460 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1060 60.290 -6.334 -42.980 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1060 61.000 -5.219 -42.243 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1061 62.999 -17.495 -26.652 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1061 62.310 -16.837 -26.747 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1061 63.014 -17.692 -25.715 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1062 49.050 -19.161 -28.075 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1062 48.831 -18.631 -28.841 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1062 48.382 -18.934 -27.427 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1063 59.726 -18.657 -31.767 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1063 59.511 -19.423 -31.235 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1063 60.382 -18.185 -31.254 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1064 60.073 -19.942 -28.088 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1064 59.337 -19.331 -28.126 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1064 60.757 -19.527 -28.614 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1065 53.076 -21.855 -30.622 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1065 52.959 -22.804 -30.676 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1065 52.221 -21.523 -30.349 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1066 62.712 -13.640 -27.828 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1066 62.060 -12.945 -27.739 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1066 63.177 -13.430 -28.638 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1067 61.318 -21.896 -37.672 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1067 60.419 -21.757 -37.377 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1067 61.570 -21.065 -38.074 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1068 63.425 -7.299 -24.317 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1068 63.376 -8.254 -24.354 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1068 62.599 -7.031 -23.915 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1069 60.577 -15.806 -23.837 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1069 60.170 -15.325 -24.557 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1069 60.618 -16.711 -24.144 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1070 50.345 -20.952 -29.844 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1070 49.484 -21.039 -30.252 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1070 50.323 -20.096 -29.417 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1071 55.008 -21.230 -26.470 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1071 55.428 -21.645 -25.717 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1071 54.075 -21.408 -26.353 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1072 58.334 -17.474 -25.616 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1072 57.820 -17.600 -24.819 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1072 58.179 -16.562 -25.861 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1073 54.670 -18.737 -39.185 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1073 54.416 -18.718 -38.262 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1073 54.413 -19.609 -39.486 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1074 56.973 -15.903 -32.206 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1074 56.778 -15.298 -32.921 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1074 57.155 -16.737 -32.641 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1075 57.420 -19.103 -29.487 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1075 56.743 -18.972 -28.823 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1075 56.934 -19.258 -30.297 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1076 57.403 -18.135 -38.566 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1076 56.465 -18.023 -38.717 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1076 57.700 -17.278 -38.260 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1077 63.006 -16.058 -37.211 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1077 62.452 -16.454 -37.883 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1077 63.107 -15.148 -37.488 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1078 62.970 -10.258 -24.374 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1078 62.118 -10.020 -24.741 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1078 63.560 -10.275 -25.127 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1079 63.198 -4.816 -38.724 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1079 63.941 -4.230 -38.864 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1079 62.503 -4.248 -38.391 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1080 56.791 -19.047 -36.136 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1080 57.011 -18.575 -36.939 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1080 57.349 -18.652 -35.465 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1081 54.875 -20.238 -34.363 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1081 54.528 -19.620 -33.718 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1081 55.533 -19.737 -34.844 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1082 60.731 -18.426 -25.281 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1082 59.815 -18.163 -25.369 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1082 61.067 -18.429 -26.178 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1083 47.915 -21.301 -30.826 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1083 47.686 -21.242 -31.753 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1083 47.472 -22.093 -30.519 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1084 51.572 -19.004 -27.012 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1084 52.108 -18.553 -27.664 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1084 50.720 -19.112 -27.434 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1085 52.378 -21.548 -26.580 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1085 52.280 -20.601 -26.686 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1085 51.635 -21.920 -27.056 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1086 53.642 -17.226 -23.017 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1086 53.406 -17.446 -22.115 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1086 52.859 -17.433 -23.526 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1087 57.992 -19.465 -21.936 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1087 57.895 -20.417 -21.942 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1087 57.670 -19.196 -21.075 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1088 52.600 -22.254 -23.909 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1088 53.312 -22.894 -23.923 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1088 52.499 -21.987 -24.823 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1089 52.953 -20.571 -21.855 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1089 52.822 -21.047 -22.676 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1089 52.354 -19.827 -21.911 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1090 63.136 -4.769 -29.334 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1090 63.114 -4.584 -28.395 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1090 63.826 -4.200 -29.675 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1091 62.699 -5.202 -26.412 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1091 62.212 -5.937 -26.783 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1091 63.248 -5.595 -25.734 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1092 61.462 -15.961 -39.494 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1092 61.559 -15.294 -40.174 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1092 61.322 -16.777 -39.976 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1093 62.985 -14.708 -23.550 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1093 62.122 -15.087 -23.715 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1093 63.589 -15.447 -23.624 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1094 60.710 -18.553 -40.377 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1094 61.320 -18.925 -39.740 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1094 59.873 -18.975 -40.181 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1095 60.954 -16.417 -29.975 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1095 61.887 -16.205 -30.009 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1095 60.719 -16.315 -29.052 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1096 60.983 -15.680 -27.199 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1096 60.140 -15.412 -26.833 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1096 61.426 -14.858 -27.410 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1097 60.956 -19.735 -35.362 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1097 61.138 -20.184 -34.537 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1097 60.356 -20.320 -35.826 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1098 62.786 -19.591 -23.496 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1098 61.869 -19.320 -23.532 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1098 62.909 -20.126 -24.280 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1099 62.822 -19.668 -38.834 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1099 63.235 -20.389 -39.310 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1099 63.504 -18.998 -38.776 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1100 45.067 -20.925 -27.363 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1100 44.402 -21.171 -26.720 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1100 44.624 -20.303 -27.940 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1101 55.217 -20.052 -31.354 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1101 54.542 -20.681 -31.099 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1101 55.781 -20.536 -31.957 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1102 62.086 -20.806 -32.908 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1102 62.698 -21.320 -33.435 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1102 62.469 -19.928 -32.885 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1103 47.543 -21.418 -33.532 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1103 46.766 -21.652 -34.040 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1103 48.074 -22.215 -33.524 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1104 46.380 -21.620 -37.729 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1104 46.819 -21.009 -38.320 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1104 45.746 -21.082 -37.255 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1105 52.123 -21.491 -33.719 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1105 52.997 -21.103 -33.749 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1105 51.987 -21.706 -32.796 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1106 57.680 -21.461 -32.070 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1106 57.756 -21.366 -33.019 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1106 57.404 -22.369 -31.941 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1107 59.033 -21.435 -36.377 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1107 58.330 -20.821 -36.587 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1107 58.588 -22.273 -36.246 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1108 47.501 -20.904 -24.015 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1108 47.135 -21.669 -23.572 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1108 48.414 -20.875 -23.728 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1109 49.474 -21.553 -22.479 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1109 50.373 -21.827 -22.664 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1109 49.088 -22.296 -22.015 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1110 57.896 -22.221 -22.297 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1110 57.972 -22.647 -21.443 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1110 58.789 -22.207 -22.639 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1111 59.261 -10.068 -12.997 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1111 58.820 -10.788 -12.547 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1111 59.248 -9.347 -12.367 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1112 49.050 -19.161 -9.219 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1112 48.831 -18.631 -9.985 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1112 48.382 -18.934 -8.571 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1113 59.726 -18.657 -12.911 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1113 59.511 -19.423 -12.379 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1113 60.382 -18.185 -12.398 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1114 50.027 -9.521 -8.144 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1114 50.021 -8.642 -8.522 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1114 49.173 -9.604 -7.719 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1115 59.773 -8.228 -10.649 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1115 58.831 -8.170 -10.488 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1115 60.049 -7.322 -10.786 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1116 60.073 -19.942 -9.232 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1116 59.337 -19.331 -9.270 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1116 60.757 -19.527 -9.758 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1117 53.076 -21.855 -11.766 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1117 52.959 -22.804 -11.820 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1117 52.221 -21.523 -11.493 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1118 62.712 -13.640 -8.972 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1118 62.060 -12.945 -8.883 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1118 63.177 -13.430 -9.782 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1119 58.646 -14.634 -7.246 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1119 58.726 -13.871 -6.674 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1119 58.045 -14.355 -7.937 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1120 57.070 -7.906 -10.064 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1120 56.829 -7.244 -9.416 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1120 56.872 -8.740 -9.639 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1121 51.641 -9.010 -6.081 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1121 51.329 -8.228 -5.625 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1121 50.991 -9.163 -6.767 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1122 49.880 -6.938 -5.317 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1122 49.888 -7.074 -6.265 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1122 48.964 -7.056 -5.065 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1123 61.318 -21.896 -18.816 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1123 60.419 -21.757 -18.521 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1123 61.570 -21.065 -19.218 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1124 62.508 -7.530 -20.439 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1124 62.581 -6.591 -20.269 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1124 63.413 -7.835 -20.496 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1125 54.404 -7.725 -6.585 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1125 54.491 -6.899 -6.110 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1125 53.540 -8.055 -6.336 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1126 47.726 -9.422 -6.984 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1126 47.943 -9.783 -6.124 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1126 46.871 -9.796 -7.194 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1127 50.345 -20.952 -10.988 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1127 49.484 -21.039 -11.396 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1127 50.323 -20.096 -10.561 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1128 58.334 -17.474 -6.760 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1128 57.820 -17.600 -5.963 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1128 58.179 -16.562 -7.005 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1129 48.186 -15.666 -8.026 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1129 48.148 -15.266 -7.158 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1129 47.695 -16.483 -7.936 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1130 51.552 -18.292 -21.228 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1130 51.121 -18.737 -20.498 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1130 50.834 -17.920 -21.740 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1131 56.237 -14.265 -8.679 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1131 56.561 -14.896 -9.322 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1131 55.797 -14.800 -8.018 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1132 57.420 -19.103 -10.631 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1132 56.743 -18.972 -9.967 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1132 56.934 -19.258 -11.441 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1133 48.305 -10.957 -4.746 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1133 49.038 -10.703 -4.185 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1133 47.525 -10.753 -4.231 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1134 52.961 -17.162 -9.594 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1134 52.126 -16.708 -9.484 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1134 53.485 -16.886 -8.842 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1135 60.655 -11.816 -9.123 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1135 61.297 -11.359 -9.666 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1135 59.825 -11.703 -9.585 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1136 55.025 -10.765 -6.672 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1136 54.679 -11.146 -5.866 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1136 54.825 -9.831 -6.601 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1137 52.655 -13.676 -4.612 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1137 52.359 -13.842 -5.507 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1137 53.586 -13.896 -4.622 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1138 57.275 -8.303 -6.722 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1138 56.374 -8.120 -6.990 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1138 57.309 -8.044 -5.801 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1139 63.006 -16.058 -18.355 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1139 62.452 -16.454 -19.027 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1139 63.107 -15.148 -18.632 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1140 61.302 -7.272 -17.890 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1140 60.929 -8.098 -17.580 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1140 61.579 -7.455 -18.787 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1141 52.947 -6.324 -8.844 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1141 53.310 -5.469 -9.077 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1141 53.479 -6.616 -8.103 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1142 56.491 -10.225 -9.143 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1142 56.065 -10.452 -8.317 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1142 57.072 -10.963 -9.326 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1143 59.150 -5.673 -6.674 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1143 58.548 -6.228 -7.169 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1143 59.431 -5.006 -7.300 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1144 63.198 -4.816 -19.868 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1144 63.941 -4.230 -20.008 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1144 62.503 -4.248 -19.535 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1145 47.272 -18.440 -7.267 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1145 46.379 -18.101 -7.334 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1145 47.173 -19.295 -6.849 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1146 59.560 -10.623 -17.843 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1146 59.283 -11.351 -17.287 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1146 60.487 -10.504 -17.637 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1147 56.007 -18.699 -8.377 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1147 56.705 -18.625 -7.727 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1147 55.626 -19.563 -8.222 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1148 56.791 -19.047 -17.280 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1148 57.011 -18.575 -18.083 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1148 57.349 -18.652 -16.609 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1149 54.527 -16.333 -7.260 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1149 54.646 -15.759 -6.503 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1149 55.182 -17.021 -7.145 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1150 54.875 -20.238 -15.507 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1150 54.528 -19.620 -14.862 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1150 55.533 -19.737 -15.988 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1151 50.532 -19.175 -18.819 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1151 50.449 -18.286 -18.473 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1151 51.422 -19.440 -18.588 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1152 60.420 -5.419 -10.707 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1152 60.264 -4.741 -11.364 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1152 61.352 -5.347 -10.504 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1153 46.134 -4.748 -4.479 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1153 46.674 -4.965 -3.720 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1153 45.653 -5.554 -4.669 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1154 50.731 -5.829 -2.859 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1154 51.499 -6.288 -2.518 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1154 50.710 -6.055 -3.789 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1155 46.041 -10.938 -3.525 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1155 46.185 -11.840 -3.811 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1155 45.268 -10.652 -4.013 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1156 58.431 -11.052 -6.709 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1156 59.176 -10.464 -6.829 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1156 57.674 -10.470 -6.646 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1157 46.873 -13.738 -4.105 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1157 47.281 -14.595 -4.226 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1157 46.613 -13.723 -3.184 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1158 50.820 -14.729 -6.731 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1158 50.202 -14.054 -6.450 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1158 51.164 -14.408 -7.564 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1159 61.992 -12.024 -21.379 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1159 61.719 -12.449 -22.192 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1159 62.032 -11.093 -21.596 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1160 51.160 -17.374 -5.648 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1160 51.310 -18.103 -6.251 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1160 51.162 -16.597 -6.207 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1161 51.572 -19.004 -8.156 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1161 52.108 -18.553 -8.808 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1161 50.720 -19.112 -8.578 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1162 53.154 -13.565 -7.916 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1162 53.905 -13.721 -8.489 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1162 52.815 -12.713 -8.192 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1163 49.638 -16.176 -3.737 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1163 48.871 -16.708 -3.947 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1163 50.317 -16.486 -4.336 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1164 47.819 -18.255 -4.032 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1164 48.030 -18.962 -4.643 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1164 47.707 -18.693 -3.188 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1165 63.136 -4.769 -10.478 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1165 63.114 -4.584 -9.539 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1165 63.826 -4.200 -10.819 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1166 62.451 -11.155 -17.404 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1166 63.301 -10.734 -17.276 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1166 62.456 -11.895 -16.796 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1167 62.845 -13.102 -15.580 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1167 62.119 -13.581 -15.182 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1167 63.426 -12.896 -14.848 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1168 62.604 -10.317 -10.632 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1168 63.438 -10.695 -10.913 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1168 62.716 -9.374 -10.751 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1169 61.091 -7.439 -8.325 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1169 60.443 -7.114 -7.700 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1169 60.573 -7.879 -9.000 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1170 63.113 -13.201 -19.189 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1170 62.592 -12.844 -19.908 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1170 63.080 -12.526 -18.511 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1171 61.462 -15.961 -20.638 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1171 61.559 -15.294 -21.318 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1171 61.322 -16.777 -21.120 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1172 60.632 -14.581 -15.017 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1172 60.482 -15.526 -15.037 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1172 60.278 -14.300 -14.173 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1173 60.710 -18.553 -21.521 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1173 61.320 -18.925 -20.884 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1173 59.873 -18.975 -21.325 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1174 60.342 -16.998 -16.555 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1174 60.622 -17.905 -16.430 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1174 61.101 -16.564 -16.944 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1175 60.954 -16.417 -11.119 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1175 61.887 -16.205 -11.153 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1175 60.719 -16.315 -10.196 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1176 60.983 -15.680 -8.343 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1176 60.140 -15.412 -7.977 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1176 61.426 -14.858 -8.554 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1177 60.956 -19.735 -16.506 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1177 61.138 -20.184 -15.681 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1177 60.356 -20.320 -16.970 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1178 62.822 -19.668 -19.978 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1178 63.235 -20.389 -20.454 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1178 63.504 -18.998 -19.920 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1179 45.067 -20.925 -8.507 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1179 44.402 -21.171 -7.864 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1179 44.624 -20.303 -9.084 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1180 47.259 -7.750 -4.363 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1180 46.438 -7.575 -4.823 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1180 47.007 -7.823 -3.442 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1181 50.213 -6.775 -8.104 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1181 49.788 -5.966 -8.387 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1181 51.118 -6.690 -8.406 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1182 56.869 -4.091 -5.901 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1182 57.546 -4.723 -6.141 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1182 57.191 -3.689 -5.093 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1183 50.082 -3.919 -9.027 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1183 49.217 -3.847 -8.623 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1183 50.027 -3.372 -9.811 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1184 54.793 -4.031 -9.851 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1184 54.336 -3.502 -10.505 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1184 54.956 -3.428 -9.126 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1185 57.120 -5.153 -8.906 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1185 56.216 -4.988 -9.172 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1185 57.549 -4.300 -8.972 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1186 59.725 -3.583 -8.611 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1186 59.543 -2.667 -8.822 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1186 59.901 -3.993 -9.458 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1187 55.217 -20.052 -12.498 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1187 54.542 -20.681 -12.243 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1187 55.781 -20.536 -13.101 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1188 46.380 -21.620 -18.873 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1188 46.819 -21.009 -19.464 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1188 45.746 -21.082 -18.399 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1189 52.123 -21.491 -14.863 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1189 52.997 -21.103 -14.893 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1189 51.987 -21.706 -13.940 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1190 57.680 -21.461 -13.214 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1190 57.756 -21.366 -14.163 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1190 57.404 -22.369 -13.085 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1191 59.033 -21.435 -17.521 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1191 58.330 -20.821 -17.731 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1191 58.588 -22.273 -17.390 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1192 48.241 -19.704 -20.430 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1192 48.732 -20.334 -20.958 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1192 48.864 -19.408 -19.767 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1193 53.267 -19.411 -17.973 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1193 53.445 -20.057 -17.290 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1193 53.213 -18.577 -17.506 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1194 47.501 -20.904 -5.159 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1194 47.135 -21.669 -4.716 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1194 48.414 -20.875 -4.872 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1195 49.474 -21.553 -3.623 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1195 50.373 -21.827 -3.808 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1195 49.088 -22.296 -3.159 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1196 51.552 -18.292 -2.372 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1196 51.121 -18.737 -1.642 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1196 50.834 -17.920 -2.884 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1197 46.069 -17.804 0.104 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1197 46.543 -17.213 -0.481 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1197 45.351 -17.273 0.451 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1198 46.760 -13.274 -1.292 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1198 47.376 -12.647 -0.913 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1198 45.898 -12.958 -1.021 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1199 50.532 -19.175 0.037 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1199 50.449 -18.286 0.383 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1199 51.422 -19.440 0.268 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1200 47.107 -16.083 -1.787 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1200 47.062 -15.144 -1.608 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1200 46.219 -16.319 -2.057 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1201 46.068 -9.052 -1.484 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1201 46.982 -8.973 -1.211 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1201 46.075 -9.739 -2.151 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1202 45.103 -19.663 2.005 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1202 44.178 -19.454 1.875 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1202 45.557 -19.179 1.315 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1203 46.380 -21.620 -0.017 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1203 46.819 -21.009 -0.608 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1203 45.746 -21.082 0.457 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1204 48.241 -19.704 -1.574 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1204 48.732 -20.334 -2.102 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1204 48.864 -19.408 -0.911 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1205 48.099 -4.752 -2.094 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1205 47.831 -4.465 -1.221 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1205 48.870 -5.298 -1.942 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1206 47.923 5.464 -47.418 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1206 47.965 4.838 -46.694 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1206 48.626 6.087 -47.236 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1207 57.085 2.676 -48.277 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1207 57.228 1.729 -48.257 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1207 56.979 2.883 -49.206 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1208 50.240 0.777 -51.005 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1208 50.283 1.637 -51.423 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1208 49.782 0.225 -51.638 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1209 46.860 3.174 -50.243 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1209 47.514 2.624 -49.811 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1209 46.884 2.900 -51.159 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1210 51.619 7.371 -46.643 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1210 50.879 7.969 -46.540 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1210 52.333 7.925 -46.959 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1211 48.644 1.587 -48.978 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1211 49.257 2.220 -48.605 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1211 49.156 1.115 -49.635 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1212 60.073 -1.086 -46.944 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1212 59.337 -0.475 -46.982 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1212 60.757 -0.671 -47.470 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1213 53.076 -2.999 -49.478 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1213 52.959 -3.948 -49.532 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1213 52.221 -2.667 -49.205 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1214 58.646 4.222 -44.958 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1214 58.726 4.985 -44.386 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1214 58.045 4.501 -45.649 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1215 50.761 5.447 -48.510 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1215 51.326 5.568 -49.273 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1215 51.080 6.084 -47.871 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1216 48.561 6.044 -44.564 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1216 48.631 6.695 -43.866 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1216 47.670 6.147 -44.899 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1217 45.477 8.111 -45.739 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1217 44.976 8.083 -46.554 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1217 45.483 7.205 -45.429 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1218 60.577 3.050 -42.693 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1218 60.170 3.531 -43.413 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1218 60.618 2.145 -43.000 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1219 47.726 9.434 -44.696 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1219 47.943 9.073 -43.836 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1219 46.871 9.060 -44.906 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1220 58.334 1.382 -44.472 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1220 57.820 1.256 -43.675 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1220 58.179 2.294 -44.717 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1221 50.436 2.870 -47.605 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1221 49.794 2.829 -46.896 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1221 50.473 3.796 -47.843 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1222 55.071 3.682 -42.388 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1222 54.508 2.978 -42.068 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1222 55.897 3.562 -41.921 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1223 44.794 0.306 -51.888 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1223 45.425 0.277 -51.168 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1223 45.244 -0.119 -52.618 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1224 56.237 4.591 -46.391 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1224 56.561 3.960 -47.034 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1224 55.797 4.056 -45.730 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1225 53.015 0.518 -51.607 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1225 52.104 0.575 -51.318 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1225 53.520 0.458 -50.796 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1226 57.420 -0.247 -48.343 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1226 56.743 -0.116 -47.679 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1226 56.934 -0.402 -49.153 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1227 48.305 7.899 -42.458 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1227 49.038 8.153 -41.897 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1227 47.525 8.103 -41.943 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1228 54.335 3.306 -49.720 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1228 54.899 2.759 -50.267 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1228 54.187 2.784 -48.931 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1229 49.337 -0.558 -53.302 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1229 49.020 -1.460 -53.337 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1229 50.118 -0.556 -53.854 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1230 52.961 1.694 -47.306 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1230 52.126 2.148 -47.196 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1230 53.485 1.970 -46.554 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1231 45.638 5.663 -44.537 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1231 45.861 5.245 -43.705 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1231 45.036 5.050 -44.959 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1232 52.655 5.180 -42.324 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1232 52.359 5.014 -43.219 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1232 53.586 4.960 -42.334 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1233 54.527 2.523 -44.972 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1233 54.646 3.097 -44.215 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1233 55.182 1.835 -44.857 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1234 54.875 -1.382 -53.219 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1234 54.528 -0.764 -52.574 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1234 55.533 -0.881 -53.700 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1235 60.731 0.430 -44.137 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1235 59.815 0.693 -44.225 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1235 61.067 0.427 -45.034 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1236 47.915 -2.445 -49.682 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1236 47.686 -2.386 -50.609 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1236 47.472 -3.237 -49.375 0.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1237 46.041 7.918 -41.237 0.00 0.00 WAT1 ATOM 5753 H1 TIP3 1237 46.185 7.016 -41.523 0.00 0.00 WAT1 ATOM 5754 H2 TIP3 1237 45.268 8.204 -41.725 0.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1238 52.696 7.888 -41.804 0.00 0.00 WAT1 ATOM 5756 H1 TIP3 1238 52.368 8.159 -42.662 0.00 0.00 WAT1 ATOM 5757 H2 TIP3 1238 52.848 6.947 -41.892 0.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1239 55.840 6.598 -41.165 0.00 0.00 WAT1 ATOM 5759 H1 TIP3 1239 56.793 6.682 -41.193 0.00 0.00 WAT1 ATOM 5760 H2 TIP3 1239 55.680 5.887 -40.546 0.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1240 53.154 5.291 -45.628 0.00 0.00 WAT1 ATOM 5762 H1 TIP3 1240 53.905 5.135 -46.201 0.00 0.00 WAT1 ATOM 5763 H2 TIP3 1240 52.815 6.143 -45.904 0.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1241 57.570 3.106 -40.600 0.00 0.00 WAT1 ATOM 5765 H1 TIP3 1241 57.762 2.175 -40.711 0.00 0.00 WAT1 ATOM 5766 H2 TIP3 1241 58.427 3.531 -40.610 0.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1242 63.266 -2.844 -40.701 0.00 0.00 WAT1 ATOM 5768 H1 TIP3 1242 63.616 -3.498 -41.307 0.00 0.00 WAT1 ATOM 5769 H2 TIP3 1242 63.413 -2.007 -41.141 0.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1243 46.486 -0.064 -49.687 0.00 0.00 WAT1 ATOM 5771 H1 TIP3 1243 46.931 -0.856 -49.385 0.00 0.00 WAT1 ATOM 5772 H2 TIP3 1243 46.952 0.652 -49.256 0.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1244 44.790 2.935 -48.618 0.00 0.00 WAT1 ATOM 5774 H1 TIP3 1244 45.282 2.714 -49.408 0.00 0.00 WAT1 ATOM 5775 H2 TIP3 1244 45.152 3.776 -48.337 0.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1245 61.787 -2.645 -44.533 0.00 0.00 WAT1 ATOM 5777 H1 TIP3 1245 60.974 -2.320 -44.921 0.00 0.00 WAT1 ATOM 5778 H2 TIP3 1245 62.020 -3.405 -45.066 0.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1246 55.217 -1.196 -50.210 0.00 0.00 WAT1 ATOM 5780 H1 TIP3 1246 54.542 -1.825 -49.955 0.00 0.00 WAT1 ATOM 5781 H2 TIP3 1246 55.781 -1.680 -50.813 0.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1247 60.359 -3.089 -50.098 0.00 0.00 WAT1 ATOM 5783 H1 TIP3 1247 60.963 -2.541 -50.599 0.00 0.00 WAT1 ATOM 5784 H2 TIP3 1247 59.490 -2.769 -50.338 0.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1248 47.543 -2.562 -52.388 0.00 0.00 WAT1 ATOM 5786 H1 TIP3 1248 46.766 -2.796 -52.896 0.00 0.00 WAT1 ATOM 5787 H2 TIP3 1248 48.074 -3.359 -52.380 0.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1249 52.123 -2.635 -52.575 0.00 0.00 WAT1 ATOM 5789 H1 TIP3 1249 52.997 -2.247 -52.605 0.00 0.00 WAT1 ATOM 5790 H2 TIP3 1249 51.987 -2.850 -51.652 0.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1250 57.680 -2.605 -50.926 0.00 0.00 WAT1 ATOM 5792 H1 TIP3 1250 57.756 -2.510 -51.875 0.00 0.00 WAT1 ATOM 5793 H2 TIP3 1250 57.404 -3.513 -50.797 0.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1251 56.622 6.594 -33.574 0.00 0.00 WAT1 ATOM 5795 H1 TIP3 1251 56.711 7.538 -33.706 0.00 0.00 WAT1 ATOM 5796 H2 TIP3 1251 55.983 6.319 -34.232 0.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1252 59.261 8.788 -31.853 0.00 0.00 WAT1 ATOM 5798 H1 TIP3 1252 58.820 8.068 -31.403 0.00 0.00 WAT1 ATOM 5799 H2 TIP3 1252 59.248 9.509 -31.223 0.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1253 48.847 9.914 -30.027 0.00 0.00 WAT1 ATOM 5801 H1 TIP3 1253 48.477 9.112 -30.396 0.00 0.00 WAT1 ATOM 5802 H2 TIP3 1253 49.788 9.745 -29.980 0.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1254 53.944 8.282 -29.749 0.00 0.00 WAT1 ATOM 5804 H1 TIP3 1254 54.248 7.596 -30.343 0.00 0.00 WAT1 ATOM 5805 H2 TIP3 1254 54.666 8.400 -29.131 0.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1255 62.607 -0.117 -28.888 0.00 0.00 WAT1 ATOM 5807 H1 TIP3 1255 62.656 0.493 -28.152 0.00 0.00 WAT1 ATOM 5808 H2 TIP3 1255 63.033 0.344 -29.611 0.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1256 62.999 1.361 -26.652 0.00 0.00 WAT1 ATOM 5810 H1 TIP3 1256 62.310 2.019 -26.747 0.00 0.00 WAT1 ATOM 5811 H2 TIP3 1256 63.014 1.164 -25.715 0.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1257 56.419 9.195 -34.531 0.00 0.00 WAT1 ATOM 5813 H1 TIP3 1257 56.123 8.873 -35.382 0.00 0.00 WAT1 ATOM 5814 H2 TIP3 1257 56.095 10.095 -34.489 0.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1258 51.619 7.371 -27.787 0.00 0.00 WAT1 ATOM 5816 H1 TIP3 1258 50.879 7.969 -27.684 0.00 0.00 WAT1 ATOM 5817 H2 TIP3 1258 52.333 7.925 -28.103 0.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1259 50.027 9.335 -27.000 0.00 0.00 WAT1 ATOM 5819 H1 TIP3 1259 50.021 10.214 -27.378 0.00 0.00 WAT1 ATOM 5820 H2 TIP3 1259 49.173 9.252 -26.575 0.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1260 46.148 9.006 -36.218 0.00 0.00 WAT1 ATOM 5822 H1 TIP3 1260 45.876 9.235 -37.107 0.00 0.00 WAT1 ATOM 5823 H2 TIP3 1260 46.193 9.844 -35.758 0.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1261 60.870 8.876 -25.894 0.00 0.00 WAT1 ATOM 5825 H1 TIP3 1261 61.010 8.285 -26.633 0.00 0.00 WAT1 ATOM 5826 H2 TIP3 1261 61.038 9.749 -26.250 0.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1262 55.343 5.838 -36.122 0.00 0.00 WAT1 ATOM 5828 H1 TIP3 1262 54.631 6.373 -36.473 0.00 0.00 WAT1 ATOM 5829 H2 TIP3 1262 56.034 5.894 -36.782 0.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1263 55.397 4.296 -39.083 0.00 0.00 WAT1 ATOM 5831 H1 TIP3 1263 56.098 4.318 -38.432 0.00 0.00 WAT1 ATOM 5832 H2 TIP3 1263 55.699 3.668 -39.739 0.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1264 62.712 5.216 -27.828 0.00 0.00 WAT1 ATOM 5834 H1 TIP3 1264 62.060 5.911 -27.739 0.00 0.00 WAT1 ATOM 5835 H2 TIP3 1264 63.177 5.426 -28.638 0.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1265 58.749 6.048 -35.170 0.00 0.00 WAT1 ATOM 5837 H1 TIP3 1265 58.017 6.276 -34.597 0.00 0.00 WAT1 ATOM 5838 H2 TIP3 1265 59.196 5.334 -34.715 0.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1266 58.646 4.222 -26.102 0.00 0.00 WAT1 ATOM 5840 H1 TIP3 1266 58.726 4.985 -25.530 0.00 0.00 WAT1 ATOM 5841 H2 TIP3 1266 58.045 4.501 -26.793 0.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1267 50.394 6.678 -33.287 0.00 0.00 WAT1 ATOM 5843 H1 TIP3 1267 50.064 6.308 -34.106 0.00 0.00 WAT1 ATOM 5844 H2 TIP3 1267 50.982 6.008 -32.941 0.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1268 51.761 10.106 -30.606 0.00 0.00 WAT1 ATOM 5846 H1 TIP3 1268 51.666 9.528 -31.363 0.00 0.00 WAT1 ATOM 5847 H2 TIP3 1268 52.490 9.735 -30.110 0.00 0.00 WAT1 ATOM 5848 OH2 TIP3 1269 51.641 9.846 -24.937 0.00 0.00 WAT1 ATOM 5849 H1 TIP3 1269 51.329 10.628 -24.481 0.00 0.00 WAT1 ATOM 5850 H2 TIP3 1269 50.991 9.693 -25.623 0.00 0.00 WAT1 ATOM 5851 OH2 TIP3 1270 57.620 5.210 -37.485 0.00 0.00 WAT1 ATOM 5852 H1 TIP3 1270 58.199 5.360 -36.738 0.00 0.00 WAT1 ATOM 5853 H2 TIP3 1270 58.034 5.681 -38.208 0.00 0.00 WAT1 ATOM 5854 OH2 TIP3 1271 49.880 11.918 -24.173 0.00 0.00 WAT1 ATOM 5855 H1 TIP3 1271 49.888 11.782 -25.121 0.00 0.00 WAT1 ATOM 5856 H2 TIP3 1271 48.964 11.800 -23.921 0.00 0.00 WAT1 ATOM 5857 OH2 TIP3 1272 61.318 -3.040 -37.672 0.00 0.00 WAT1 ATOM 5858 H1 TIP3 1272 60.419 -2.901 -37.377 0.00 0.00 WAT1 ATOM 5859 H2 TIP3 1272 61.570 -2.209 -38.074 0.00 0.00 WAT1 ATOM 5860 OH2 TIP3 1273 45.228 10.891 -29.999 0.00 0.00 WAT1 ATOM 5861 H1 TIP3 1273 46.174 10.747 -30.018 0.00 0.00 WAT1 ATOM 5862 H2 TIP3 1273 45.115 11.675 -29.462 0.00 0.00 WAT1 ATOM 5863 OH2 TIP3 1274 54.404 11.131 -25.441 0.00 0.00 WAT1 ATOM 5864 H1 TIP3 1274 54.491 11.957 -24.966 0.00 0.00 WAT1 ATOM 5865 H2 TIP3 1274 53.540 10.801 -25.192 0.00 0.00 WAT1 ATOM 5866 OH2 TIP3 1275 55.969 3.507 -35.020 0.00 0.00 WAT1 ATOM 5867 H1 TIP3 1275 55.560 4.322 -35.312 0.00 0.00 WAT1 ATOM 5868 H2 TIP3 1275 56.689 3.367 -35.635 0.00 0.00 WAT1 ATOM 5869 OH2 TIP3 1276 56.237 4.591 -27.535 0.00 0.00 WAT1 ATOM 5870 H1 TIP3 1276 56.561 3.960 -28.178 0.00 0.00 WAT1 ATOM 5871 H2 TIP3 1276 55.797 4.056 -26.874 0.00 0.00 WAT1 ATOM 5872 OH2 TIP3 1277 53.505 7.907 -36.765 0.00 0.00 WAT1 ATOM 5873 H1 TIP3 1277 52.761 7.400 -37.088 0.00 0.00 WAT1 ATOM 5874 H2 TIP3 1277 53.371 7.956 -35.819 0.00 0.00 WAT1 ATOM 5875 OH2 TIP3 1278 60.655 7.040 -27.979 0.00 0.00 WAT1 ATOM 5876 H1 TIP3 1278 61.297 7.497 -28.522 0.00 0.00 WAT1 ATOM 5877 H2 TIP3 1278 59.825 7.153 -28.441 0.00 0.00 WAT1 ATOM 5878 OH2 TIP3 1279 58.121 2.588 -36.905 0.00 0.00 WAT1 ATOM 5879 H1 TIP3 1279 59.013 2.451 -36.586 0.00 0.00 WAT1 ATOM 5880 H2 TIP3 1279 58.178 3.379 -37.442 0.00 0.00 WAT1 ATOM 5881 OH2 TIP3 1280 57.275 10.553 -25.578 0.00 0.00 WAT1 ATOM 5882 H1 TIP3 1280 56.374 10.736 -25.846 0.00 0.00 WAT1 ATOM 5883 H2 TIP3 1280 57.309 10.812 -24.657 0.00 0.00 WAT1 ATOM 5884 OH2 TIP3 1281 58.462 6.392 -29.724 0.00 0.00 WAT1 ATOM 5885 H1 TIP3 1281 57.534 6.160 -29.751 0.00 0.00 WAT1 ATOM 5886 H2 TIP3 1281 58.913 5.615 -30.054 0.00 0.00 WAT1 ATOM 5887 OH2 TIP3 1282 51.005 10.720 -33.591 0.00 0.00 WAT1 ATOM 5888 H1 TIP3 1282 51.532 11.493 -33.792 0.00 0.00 WAT1 ATOM 5889 H2 TIP3 1282 50.125 10.945 -33.893 0.00 0.00 WAT1 ATOM 5890 OH2 TIP3 1283 52.432 8.383 -34.015 0.00 0.00 WAT1 ATOM 5891 H1 TIP3 1283 52.191 9.308 -33.973 0.00 0.00 WAT1 ATOM 5892 H2 TIP3 1283 51.692 7.924 -33.619 0.00 0.00 WAT1 ATOM 5893 OH2 TIP3 1284 56.491 8.631 -27.999 0.00 0.00 WAT1 ATOM 5894 H1 TIP3 1284 56.065 8.404 -27.173 0.00 0.00 WAT1 ATOM 5895 H2 TIP3 1284 57.072 7.893 -28.182 0.00 0.00 WAT1 ATOM 5896 OH2 TIP3 1285 46.923 12.221 -27.688 0.00 0.00 WAT1 ATOM 5897 H1 TIP3 1285 47.140 11.289 -27.719 0.00 0.00 WAT1 ATOM 5898 H2 TIP3 1285 47.170 12.495 -26.804 0.00 0.00 WAT1 ATOM 5899 OH2 TIP3 1286 51.722 10.242 -38.022 0.00 0.00 WAT1 ATOM 5900 H1 TIP3 1286 51.869 9.722 -37.232 0.00 0.00 WAT1 ATOM 5901 H2 TIP3 1286 51.719 11.149 -37.716 0.00 0.00 WAT1 ATOM 5902 OH2 TIP3 1287 48.175 7.495 -37.512 0.00 0.00 WAT1 ATOM 5903 H1 TIP3 1287 47.489 7.847 -36.945 0.00 0.00 WAT1 ATOM 5904 H2 TIP3 1287 48.698 8.258 -37.758 0.00 0.00 WAT1 ATOM 5905 OH2 TIP3 1288 60.731 0.430 -25.281 0.00 0.00 WAT1 ATOM 5906 H1 TIP3 1288 59.815 0.693 -25.369 0.00 0.00 WAT1 ATOM 5907 H2 TIP3 1288 61.067 0.427 -26.178 0.00 0.00 WAT1 ATOM 5908 OH2 TIP3 1289 59.333 4.181 -31.185 0.00 0.00 WAT1 ATOM 5909 H1 TIP3 1289 58.536 3.766 -31.514 0.00 0.00 WAT1 ATOM 5910 H2 TIP3 1289 59.778 3.490 -30.694 0.00 0.00 WAT1 ATOM 5911 OH2 TIP3 1290 48.791 10.109 -38.615 0.00 0.00 WAT1 ATOM 5912 H1 TIP3 1290 49.383 10.808 -38.339 0.00 0.00 WAT1 ATOM 5913 H2 TIP3 1290 49.250 9.676 -39.334 0.00 0.00 WAT1 ATOM 5914 OH2 TIP3 1291 46.845 11.495 -34.665 0.00 0.00 WAT1 ATOM 5915 H1 TIP3 1291 46.013 11.968 -34.638 0.00 0.00 WAT1 ATOM 5916 H2 TIP3 1291 47.391 12.005 -35.264 0.00 0.00 WAT1 ATOM 5917 OH2 TIP3 1292 46.134 14.108 -23.335 0.00 0.00 WAT1 ATOM 5918 H1 TIP3 1292 46.674 13.891 -22.576 0.00 0.00 WAT1 ATOM 5919 H2 TIP3 1292 45.653 13.302 -23.525 0.00 0.00 WAT1 ATOM 5920 OH2 TIP3 1293 50.731 13.027 -21.715 0.00 0.00 WAT1 ATOM 5921 H1 TIP3 1293 51.499 12.568 -21.374 0.00 0.00 WAT1 ATOM 5922 H2 TIP3 1293 50.710 12.801 -22.645 0.00 0.00 WAT1 ATOM 5923 OH2 TIP3 1294 57.308 11.407 -22.986 0.00 0.00 WAT1 ATOM 5924 H1 TIP3 1294 56.957 10.551 -22.743 0.00 0.00 WAT1 ATOM 5925 H2 TIP3 1294 58.034 11.550 -22.379 0.00 0.00 WAT1 ATOM 5926 OH2 TIP3 1295 50.382 8.262 -40.249 0.00 0.00 WAT1 ATOM 5927 H1 TIP3 1295 50.446 7.468 -39.718 0.00 0.00 WAT1 ATOM 5928 H2 TIP3 1295 51.035 8.143 -40.938 0.00 0.00 WAT1 ATOM 5929 OH2 TIP3 1296 58.431 7.804 -25.565 0.00 0.00 WAT1 ATOM 5930 H1 TIP3 1296 59.176 8.392 -25.685 0.00 0.00 WAT1 ATOM 5931 H2 TIP3 1296 57.674 8.386 -25.502 0.00 0.00 WAT1 ATOM 5932 OH2 TIP3 1297 52.602 4.477 -39.680 0.00 0.00 WAT1 ATOM 5933 H1 TIP3 1297 52.422 4.323 -40.608 0.00 0.00 WAT1 ATOM 5934 H2 TIP3 1297 53.553 4.585 -39.636 0.00 0.00 WAT1 ATOM 5935 OH2 TIP3 1298 46.068 9.804 -39.196 0.00 0.00 WAT1 ATOM 5936 H1 TIP3 1298 46.982 9.883 -38.923 0.00 0.00 WAT1 ATOM 5937 H2 TIP3 1298 46.075 9.117 -39.863 0.00 0.00 WAT1 ATOM 5938 OH2 TIP3 1299 45.587 13.278 -32.314 0.00 0.00 WAT1 ATOM 5939 H1 TIP3 1299 45.253 12.397 -32.142 0.00 0.00 WAT1 ATOM 5940 H2 TIP3 1299 45.809 13.623 -31.450 0.00 0.00 WAT1 ATOM 5941 OH2 TIP3 1300 61.150 9.444 -21.774 0.00 0.00 WAT1 ATOM 5942 H1 TIP3 1300 60.284 9.339 -21.380 0.00 0.00 WAT1 ATOM 5943 H2 TIP3 1300 61.526 10.203 -21.327 0.00 0.00 WAT1 ATOM 5944 OH2 TIP3 1301 60.632 4.275 -33.873 0.00 0.00 WAT1 ATOM 5945 H1 TIP3 1301 60.482 3.330 -33.893 0.00 0.00 WAT1 ATOM 5946 H2 TIP3 1301 60.278 4.556 -33.029 0.00 0.00 WAT1 ATOM 5947 OH2 TIP3 1302 61.488 6.245 -24.234 0.00 0.00 WAT1 ATOM 5948 H1 TIP3 1302 62.071 5.511 -24.043 0.00 0.00 WAT1 ATOM 5949 H2 TIP3 1302 62.052 7.017 -24.188 0.00 0.00 WAT1 ATOM 5950 OH2 TIP3 1303 62.985 4.148 -23.550 0.00 0.00 WAT1 ATOM 5951 H1 TIP3 1303 62.122 3.769 -23.715 0.00 0.00 WAT1 ATOM 5952 H2 TIP3 1303 63.589 3.409 -23.624 0.00 0.00 WAT1 ATOM 5953 OH2 TIP3 1304 60.710 0.303 -40.377 0.00 0.00 WAT1 ATOM 5954 H1 TIP3 1304 61.320 -0.069 -39.740 0.00 0.00 WAT1 ATOM 5955 H2 TIP3 1304 59.873 -0.119 -40.181 0.00 0.00 WAT1 ATOM 5956 OH2 TIP3 1305 60.342 1.858 -35.411 0.00 0.00 WAT1 ATOM 5957 H1 TIP3 1305 60.622 0.951 -35.286 0.00 0.00 WAT1 ATOM 5958 H2 TIP3 1305 61.101 2.292 -35.800 0.00 0.00 WAT1 ATOM 5959 OH2 TIP3 1306 60.954 2.439 -29.975 0.00 0.00 WAT1 ATOM 5960 H1 TIP3 1306 61.887 2.651 -30.009 0.00 0.00 WAT1 ATOM 5961 H2 TIP3 1306 60.719 2.541 -29.052 0.00 0.00 WAT1 ATOM 5962 OH2 TIP3 1307 60.983 3.176 -27.199 0.00 0.00 WAT1 ATOM 5963 H1 TIP3 1307 60.140 3.444 -26.833 0.00 0.00 WAT1 ATOM 5964 H2 TIP3 1307 61.426 3.998 -27.410 0.00 0.00 WAT1 ATOM 5965 OH2 TIP3 1308 63.266 -2.844 -21.845 0.00 0.00 WAT1 ATOM 5966 H1 TIP3 1308 63.616 -3.498 -22.451 0.00 0.00 WAT1 ATOM 5967 H2 TIP3 1308 63.413 -2.007 -22.285 0.00 0.00 WAT1 ATOM 5968 OH2 TIP3 1309 60.956 -0.879 -35.362 0.00 0.00 WAT1 ATOM 5969 H1 TIP3 1309 61.138 -1.328 -34.537 0.00 0.00 WAT1 ATOM 5970 H2 TIP3 1309 60.356 -1.464 -35.826 0.00 0.00 WAT1 ATOM 5971 OH2 TIP3 1310 62.786 -0.735 -23.496 0.00 0.00 WAT1 ATOM 5972 H1 TIP3 1310 61.869 -0.464 -23.532 0.00 0.00 WAT1 ATOM 5973 H2 TIP3 1310 62.909 -1.270 -24.280 0.00 0.00 WAT1 ATOM 5974 OH2 TIP3 1311 62.822 -0.812 -38.834 0.00 0.00 WAT1 ATOM 5975 H1 TIP3 1311 63.235 -1.533 -39.310 0.00 0.00 WAT1 ATOM 5976 H2 TIP3 1311 63.504 -0.142 -38.776 0.00 0.00 WAT1 ATOM 5977 OH2 TIP3 1312 50.213 12.081 -26.960 0.00 0.00 WAT1 ATOM 5978 H1 TIP3 1312 49.788 12.890 -27.243 0.00 0.00 WAT1 ATOM 5979 H2 TIP3 1312 51.118 12.166 -27.262 0.00 0.00 WAT1 ATOM 5980 OH2 TIP3 1313 61.787 -2.645 -25.677 0.00 0.00 WAT1 ATOM 5981 H1 TIP3 1313 60.974 -2.320 -26.065 0.00 0.00 WAT1 ATOM 5982 H2 TIP3 1313 62.020 -3.405 -26.210 0.00 0.00 WAT1 ATOM 5983 OH2 TIP3 1314 47.030 13.960 -30.002 0.00 0.00 WAT1 ATOM 5984 H1 TIP3 1314 47.011 13.535 -29.145 0.00 0.00 WAT1 ATOM 5985 H2 TIP3 1314 47.835 13.642 -30.411 0.00 0.00 WAT1 ATOM 5986 OH2 TIP3 1315 49.171 12.670 -31.347 0.00 0.00 WAT1 ATOM 5987 H1 TIP3 1315 48.952 11.754 -31.178 0.00 0.00 WAT1 ATOM 5988 H2 TIP3 1315 49.995 12.810 -30.881 0.00 0.00 WAT1 ATOM 5989 OH2 TIP3 1316 62.086 -1.950 -32.908 0.00 0.00 WAT1 ATOM 5990 H1 TIP3 1316 62.698 -2.464 -33.435 0.00 0.00 WAT1 ATOM 5991 H2 TIP3 1316 62.469 -1.072 -32.885 0.00 0.00 WAT1 ATOM 5992 OH2 TIP3 1317 59.261 8.788 -12.997 0.00 0.00 WAT1 ATOM 5993 H1 TIP3 1317 58.820 8.068 -12.547 0.00 0.00 WAT1 ATOM 5994 H2 TIP3 1317 59.248 9.509 -12.367 0.00 0.00 WAT1 ATOM 5995 OH2 TIP3 1318 56.372 13.893 -12.785 0.00 0.00 WAT1 ATOM 5996 H1 TIP3 1318 56.992 13.216 -13.058 0.00 0.00 WAT1 ATOM 5997 H2 TIP3 1318 56.164 13.675 -11.877 0.00 0.00 WAT1 ATOM 5998 OH2 TIP3 1319 53.944 8.282 -10.893 0.00 0.00 WAT1 ATOM 5999 H1 TIP3 1319 54.248 7.596 -11.487 0.00 0.00 WAT1 ATOM 6000 H2 TIP3 1319 54.666 8.400 -10.275 0.00 0.00 WAT1 ATOM 6001 OH2 TIP3 1320 62.607 -0.117 -10.032 0.00 0.00 WAT1 ATOM 6002 H1 TIP3 1320 62.656 0.493 -9.296 0.00 0.00 WAT1 ATOM 6003 H2 TIP3 1320 63.033 0.344 -10.755 0.00 0.00 WAT1 ATOM 6004 OH2 TIP3 1321 62.999 1.361 -7.796 0.00 0.00 WAT1 ATOM 6005 H1 TIP3 1321 62.310 2.019 -7.891 0.00 0.00 WAT1 ATOM 6006 H2 TIP3 1321 63.014 1.164 -6.859 0.00 0.00 WAT1 ATOM 6007 OH2 TIP3 1322 56.419 9.195 -15.675 0.00 0.00 WAT1 ATOM 6008 H1 TIP3 1322 56.123 8.873 -16.526 0.00 0.00 WAT1 ATOM 6009 H2 TIP3 1322 56.095 10.095 -15.633 0.00 0.00 WAT1 ATOM 6010 OH2 TIP3 1323 59.773 10.628 -10.649 0.00 0.00 WAT1 ATOM 6011 H1 TIP3 1323 58.831 10.686 -10.488 0.00 0.00 WAT1 ATOM 6012 H2 TIP3 1323 60.049 11.534 -10.786 0.00 0.00 WAT1 ATOM 6013 OH2 TIP3 1324 60.073 -1.086 -9.232 0.00 0.00 WAT1 ATOM 6014 H1 TIP3 1324 59.337 -0.475 -9.270 0.00 0.00 WAT1 ATOM 6015 H2 TIP3 1324 60.757 -0.671 -9.758 0.00 0.00 WAT1 ATOM 6016 OH2 TIP3 1325 58.025 12.409 -14.024 0.00 0.00 WAT1 ATOM 6017 H1 TIP3 1325 58.450 11.702 -14.509 0.00 0.00 WAT1 ATOM 6018 H2 TIP3 1325 58.342 13.210 -14.441 0.00 0.00 WAT1 ATOM 6019 OH2 TIP3 1326 59.184 10.310 -15.515 0.00 0.00 WAT1 ATOM 6020 H1 TIP3 1326 58.927 9.620 -16.127 0.00 0.00 WAT1 ATOM 6021 H2 TIP3 1326 59.255 9.867 -14.670 0.00 0.00 WAT1 ATOM 6022 OH2 TIP3 1327 62.712 5.216 -8.972 0.00 0.00 WAT1 ATOM 6023 H1 TIP3 1327 62.060 5.911 -8.883 0.00 0.00 WAT1 ATOM 6024 H2 TIP3 1327 63.177 5.426 -9.782 0.00 0.00 WAT1 ATOM 6025 OH2 TIP3 1328 58.749 6.048 -16.314 0.00 0.00 WAT1 ATOM 6026 H1 TIP3 1328 58.017 6.276 -15.741 0.00 0.00 WAT1 ATOM 6027 H2 TIP3 1328 59.196 5.334 -15.859 0.00 0.00 WAT1 ATOM 6028 OH2 TIP3 1329 58.646 4.222 -7.246 0.00 0.00 WAT1 ATOM 6029 H1 TIP3 1329 58.726 4.985 -6.674 0.00 0.00 WAT1 ATOM 6030 H2 TIP3 1329 58.045 4.501 -7.937 0.00 0.00 WAT1 ATOM 6031 OH2 TIP3 1330 57.070 10.950 -10.064 0.00 0.00 WAT1 ATOM 6032 H1 TIP3 1330 56.829 11.612 -9.416 0.00 0.00 WAT1 ATOM 6033 H2 TIP3 1330 56.872 10.116 -9.639 0.00 0.00 WAT1 ATOM 6034 OH2 TIP3 1331 51.641 9.846 -6.081 0.00 0.00 WAT1 ATOM 6035 H1 TIP3 1331 51.329 10.628 -5.625 0.00 0.00 WAT1 ATOM 6036 H2 TIP3 1331 50.991 9.693 -6.767 0.00 0.00 WAT1 ATOM 6037 OH2 TIP3 1332 55.346 11.947 -15.194 0.00 0.00 WAT1 ATOM 6038 H1 TIP3 1332 55.820 12.242 -14.416 0.00 0.00 WAT1 ATOM 6039 H2 TIP3 1332 54.783 12.685 -15.427 0.00 0.00 WAT1 ATOM 6040 OH2 TIP3 1333 49.880 11.918 -5.317 0.00 0.00 WAT1 ATOM 6041 H1 TIP3 1333 49.888 11.782 -6.265 0.00 0.00 WAT1 ATOM 6042 H2 TIP3 1333 48.964 11.800 -5.065 0.00 0.00 WAT1 ATOM 6043 OH2 TIP3 1334 45.228 10.891 -11.143 0.00 0.00 WAT1 ATOM 6044 H1 TIP3 1334 46.174 10.747 -11.162 0.00 0.00 WAT1 ATOM 6045 H2 TIP3 1334 45.115 11.675 -10.606 0.00 0.00 WAT1 ATOM 6046 OH2 TIP3 1335 54.404 11.131 -6.585 0.00 0.00 WAT1 ATOM 6047 H1 TIP3 1335 54.491 11.957 -6.110 0.00 0.00 WAT1 ATOM 6048 H2 TIP3 1335 53.540 10.801 -6.336 0.00 0.00 WAT1 ATOM 6049 OH2 TIP3 1336 54.818 14.903 -16.779 0.00 0.00 WAT1 ATOM 6050 H1 TIP3 1336 54.743 14.782 -17.725 0.00 0.00 WAT1 ATOM 6051 H2 TIP3 1336 54.851 15.853 -16.660 0.00 0.00 WAT1 ATOM 6052 OH2 TIP3 1337 57.589 13.983 -17.027 0.00 0.00 WAT1 ATOM 6053 H1 TIP3 1337 56.654 14.083 -16.848 0.00 0.00 WAT1 ATOM 6054 H2 TIP3 1337 57.869 13.274 -16.449 0.00 0.00 WAT1 ATOM 6055 OH2 TIP3 1338 47.726 9.434 -6.984 0.00 0.00 WAT1 ATOM 6056 H1 TIP3 1338 47.943 9.073 -6.124 0.00 0.00 WAT1 ATOM 6057 H2 TIP3 1338 46.871 9.060 -7.194 0.00 0.00 WAT1 ATOM 6058 OH2 TIP3 1339 55.008 -2.374 -7.614 0.00 0.00 WAT1 ATOM 6059 H1 TIP3 1339 55.428 -2.789 -6.861 0.00 0.00 WAT1 ATOM 6060 H2 TIP3 1339 54.075 -2.552 -7.497 0.00 0.00 WAT1 ATOM 6061 OH2 TIP3 1340 58.334 1.382 -6.760 0.00 0.00 WAT1 ATOM 6062 H1 TIP3 1340 57.820 1.256 -5.963 0.00 0.00 WAT1 ATOM 6063 H2 TIP3 1340 58.179 2.294 -7.005 0.00 0.00 WAT1 ATOM 6064 OH2 TIP3 1341 55.071 3.682 -4.676 0.00 0.00 WAT1 ATOM 6065 H1 TIP3 1341 54.508 2.978 -4.356 0.00 0.00 WAT1 ATOM 6066 H2 TIP3 1341 55.897 3.562 -4.209 0.00 0.00 WAT1 ATOM 6067 OH2 TIP3 1342 56.237 4.591 -8.679 0.00 0.00 WAT1 ATOM 6068 H1 TIP3 1342 56.561 3.960 -9.322 0.00 0.00 WAT1 ATOM 6069 H2 TIP3 1342 55.797 4.056 -8.018 0.00 0.00 WAT1 ATOM 6070 OH2 TIP3 1343 48.305 7.899 -4.746 0.00 0.00 WAT1 ATOM 6071 H1 TIP3 1343 49.038 8.153 -4.185 0.00 0.00 WAT1 ATOM 6072 H2 TIP3 1343 47.525 8.103 -4.231 0.00 0.00 WAT1 ATOM 6073 OH2 TIP3 1344 60.655 7.040 -9.123 0.00 0.00 WAT1 ATOM 6074 H1 TIP3 1344 61.297 7.497 -9.666 0.00 0.00 WAT1 ATOM 6075 H2 TIP3 1344 59.825 7.153 -9.585 0.00 0.00 WAT1 ATOM 6076 OH2 TIP3 1345 55.025 8.091 -6.672 0.00 0.00 WAT1 ATOM 6077 H1 TIP3 1345 54.679 7.710 -5.866 0.00 0.00 WAT1 ATOM 6078 H2 TIP3 1345 54.825 9.025 -6.601 0.00 0.00 WAT1 ATOM 6079 OH2 TIP3 1346 57.275 10.553 -6.722 0.00 0.00 WAT1 ATOM 6080 H1 TIP3 1346 56.374 10.736 -6.990 0.00 0.00 WAT1 ATOM 6081 H2 TIP3 1346 57.309 10.812 -5.801 0.00 0.00 WAT1 ATOM 6082 OH2 TIP3 1347 63.006 2.798 -18.355 0.00 0.00 WAT1 ATOM 6083 H1 TIP3 1347 62.452 2.402 -19.027 0.00 0.00 WAT1 ATOM 6084 H2 TIP3 1347 63.107 3.708 -18.632 0.00 0.00 WAT1 ATOM 6085 OH2 TIP3 1348 56.491 8.631 -9.143 0.00 0.00 WAT1 ATOM 6086 H1 TIP3 1348 56.065 8.404 -8.317 0.00 0.00 WAT1 ATOM 6087 H2 TIP3 1348 57.072 7.893 -9.326 0.00 0.00 WAT1 ATOM 6088 OH2 TIP3 1349 58.694 9.560 -20.069 0.00 0.00 WAT1 ATOM 6089 H1 TIP3 1349 59.047 9.180 -19.265 0.00 0.00 WAT1 ATOM 6090 H2 TIP3 1349 57.745 9.467 -19.983 0.00 0.00 WAT1 ATOM 6091 OH2 TIP3 1350 59.560 8.233 -17.843 0.00 0.00 WAT1 ATOM 6092 H1 TIP3 1350 59.283 7.505 -17.287 0.00 0.00 WAT1 ATOM 6093 H2 TIP3 1350 60.487 8.352 -17.637 0.00 0.00 WAT1 ATOM 6094 OH2 TIP3 1351 46.923 12.221 -8.832 0.00 0.00 WAT1 ATOM 6095 H1 TIP3 1351 47.140 11.289 -8.863 0.00 0.00 WAT1 ATOM 6096 H2 TIP3 1351 47.170 12.495 -7.948 0.00 0.00 WAT1 ATOM 6097 OH2 TIP3 1352 52.785 10.672 -21.622 0.00 0.00 WAT1 ATOM 6098 H1 TIP3 1352 53.024 9.924 -22.170 0.00 0.00 WAT1 ATOM 6099 H2 TIP3 1352 52.516 10.284 -20.790 0.00 0.00 WAT1 ATOM 6100 OH2 TIP3 1353 56.007 0.157 -8.377 0.00 0.00 WAT1 ATOM 6101 H1 TIP3 1353 56.705 0.231 -7.727 0.00 0.00 WAT1 ATOM 6102 H2 TIP3 1353 55.626 -0.707 -8.222 0.00 0.00 WAT1 ATOM 6103 OH2 TIP3 1354 54.460 11.940 -18.417 0.00 0.00 WAT1 ATOM 6104 H1 TIP3 1354 53.643 12.437 -18.364 0.00 0.00 WAT1 ATOM 6105 H2 TIP3 1354 54.989 12.415 -19.057 0.00 0.00 WAT1 ATOM 6106 OH2 TIP3 1355 51.798 12.983 -18.435 0.00 0.00 WAT1 ATOM 6107 H1 TIP3 1355 51.959 13.783 -18.936 0.00 0.00 WAT1 ATOM 6108 H2 TIP3 1355 51.601 13.290 -17.550 0.00 0.00 WAT1 ATOM 6109 OH2 TIP3 1356 60.731 0.430 -6.425 0.00 0.00 WAT1 ATOM 6110 H1 TIP3 1356 59.815 0.693 -6.513 0.00 0.00 WAT1 ATOM 6111 H2 TIP3 1356 61.067 0.427 -7.322 0.00 0.00 WAT1 ATOM 6112 OH2 TIP3 1357 48.791 10.109 -19.759 0.00 0.00 WAT1 ATOM 6113 H1 TIP3 1357 49.383 10.808 -19.483 0.00 0.00 WAT1 ATOM 6114 H2 TIP3 1357 49.250 9.676 -20.478 0.00 0.00 WAT1 ATOM 6115 OH2 TIP3 1358 46.845 11.495 -15.809 0.00 0.00 WAT1 ATOM 6116 H1 TIP3 1358 46.013 11.968 -15.782 0.00 0.00 WAT1 ATOM 6117 H2 TIP3 1358 47.391 12.005 -16.408 0.00 0.00 WAT1 ATOM 6118 OH2 TIP3 1359 54.823 12.535 -21.484 0.00 0.00 WAT1 ATOM 6119 H1 TIP3 1359 54.179 11.904 -21.162 0.00 0.00 WAT1 ATOM 6120 H2 TIP3 1359 55.585 12.004 -21.716 0.00 0.00 WAT1 ATOM 6121 OH2 TIP3 1360 46.041 7.918 -3.525 0.00 0.00 WAT1 ATOM 6122 H1 TIP3 1360 46.185 7.016 -3.811 0.00 0.00 WAT1 ATOM 6123 H2 TIP3 1360 45.268 8.204 -4.013 0.00 0.00 WAT1 ATOM 6124 OH2 TIP3 1361 52.696 7.888 -4.092 0.00 0.00 WAT1 ATOM 6125 H1 TIP3 1361 52.368 8.159 -4.950 0.00 0.00 WAT1 ATOM 6126 H2 TIP3 1361 52.848 6.947 -4.180 0.00 0.00 WAT1 ATOM 6127 OH2 TIP3 1362 55.734 9.309 -21.657 0.00 0.00 WAT1 ATOM 6128 H1 TIP3 1362 55.466 9.489 -20.756 0.00 0.00 WAT1 ATOM 6129 H2 TIP3 1362 55.528 8.383 -21.788 0.00 0.00 WAT1 ATOM 6130 OH2 TIP3 1363 58.431 7.804 -6.709 0.00 0.00 WAT1 ATOM 6131 H1 TIP3 1363 59.176 8.392 -6.829 0.00 0.00 WAT1 ATOM 6132 H2 TIP3 1363 57.674 8.386 -6.646 0.00 0.00 WAT1 ATOM 6133 OH2 TIP3 1364 55.840 6.598 -3.453 0.00 0.00 WAT1 ATOM 6134 H1 TIP3 1364 56.793 6.682 -3.481 0.00 0.00 WAT1 ATOM 6135 H2 TIP3 1364 55.680 5.887 -2.834 0.00 0.00 WAT1 ATOM 6136 OH2 TIP3 1365 61.992 6.832 -21.379 0.00 0.00 WAT1 ATOM 6137 H1 TIP3 1365 61.719 6.407 -22.192 0.00 0.00 WAT1 ATOM 6138 H2 TIP3 1365 62.032 7.763 -21.596 0.00 0.00 WAT1 ATOM 6139 OH2 TIP3 1366 57.570 3.106 -2.888 0.00 0.00 WAT1 ATOM 6140 H1 TIP3 1366 57.762 2.175 -2.999 0.00 0.00 WAT1 ATOM 6141 H2 TIP3 1366 58.427 3.531 -2.898 0.00 0.00 WAT1 ATOM 6142 OH2 TIP3 1367 52.378 -2.692 -7.724 0.00 0.00 WAT1 ATOM 6143 H1 TIP3 1367 52.280 -1.745 -7.830 0.00 0.00 WAT1 ATOM 6144 H2 TIP3 1367 51.635 -3.064 -8.200 0.00 0.00 WAT1 ATOM 6145 OH2 TIP3 1368 53.642 1.630 -4.161 0.00 0.00 WAT1 ATOM 6146 H1 TIP3 1368 53.406 1.410 -3.259 0.00 0.00 WAT1 ATOM 6147 H2 TIP3 1368 52.859 1.423 -4.670 0.00 0.00 WAT1 ATOM 6148 OH2 TIP3 1369 56.358 0.757 -5.085 0.00 0.00 WAT1 ATOM 6149 H1 TIP3 1369 55.410 0.789 -4.953 0.00 0.00 WAT1 ATOM 6150 H2 TIP3 1369 56.670 0.132 -4.431 0.00 0.00 WAT1 ATOM 6151 OH2 TIP3 1370 52.600 -3.398 -5.053 0.00 0.00 WAT1 ATOM 6152 H1 TIP3 1370 53.312 -4.038 -5.067 0.00 0.00 WAT1 ATOM 6153 H2 TIP3 1370 52.499 -3.131 -5.967 0.00 0.00 WAT1 ATOM 6154 OH2 TIP3 1371 52.953 -1.715 -2.999 0.00 0.00 WAT1 ATOM 6155 H1 TIP3 1371 52.822 -2.191 -3.820 0.00 0.00 WAT1 ATOM 6156 H2 TIP3 1371 52.354 -0.971 -3.055 0.00 0.00 WAT1 ATOM 6157 OH2 TIP3 1372 52.500 15.168 -19.823 0.00 0.00 WAT1 ATOM 6158 H1 TIP3 1372 53.433 15.326 -19.679 0.00 0.00 WAT1 ATOM 6159 H2 TIP3 1372 52.236 15.843 -20.448 0.00 0.00 WAT1 ATOM 6160 OH2 TIP3 1373 44.717 15.197 -15.263 0.00 0.00 WAT1 ATOM 6161 H1 TIP3 1373 44.070 14.735 -15.796 0.00 0.00 WAT1 ATOM 6162 H2 TIP3 1373 45.072 14.525 -14.680 0.00 0.00 WAT1 ATOM 6163 OH2 TIP3 1374 45.587 13.278 -13.458 0.00 0.00 WAT1 ATOM 6164 H1 TIP3 1374 45.253 12.397 -13.286 0.00 0.00 WAT1 ATOM 6165 H2 TIP3 1374 45.809 13.623 -12.594 0.00 0.00 WAT1 ATOM 6166 OH2 TIP3 1375 62.451 7.701 -17.404 0.00 0.00 WAT1 ATOM 6167 H1 TIP3 1375 63.301 8.122 -17.276 0.00 0.00 WAT1 ATOM 6168 H2 TIP3 1375 62.456 6.961 -16.796 0.00 0.00 WAT1 ATOM 6169 OH2 TIP3 1376 62.845 5.754 -15.580 0.00 0.00 WAT1 ATOM 6170 H1 TIP3 1376 62.119 5.275 -15.182 0.00 0.00 WAT1 ATOM 6171 H2 TIP3 1376 63.426 5.960 -14.848 0.00 0.00 WAT1 ATOM 6172 OH2 TIP3 1377 62.604 8.539 -10.632 0.00 0.00 WAT1 ATOM 6173 H1 TIP3 1377 63.438 8.161 -10.913 0.00 0.00 WAT1 ATOM 6174 H2 TIP3 1377 62.716 9.482 -10.751 0.00 0.00 WAT1 ATOM 6175 OH2 TIP3 1378 63.113 5.655 -19.189 0.00 0.00 WAT1 ATOM 6176 H1 TIP3 1378 62.592 6.012 -19.908 0.00 0.00 WAT1 ATOM 6177 H2 TIP3 1378 63.080 6.330 -18.511 0.00 0.00 WAT1 ATOM 6178 OH2 TIP3 1379 60.632 4.275 -15.017 0.00 0.00 WAT1 ATOM 6179 H1 TIP3 1379 60.482 3.330 -15.037 0.00 0.00 WAT1 ATOM 6180 H2 TIP3 1379 60.278 4.556 -14.173 0.00 0.00 WAT1 ATOM 6181 OH2 TIP3 1380 60.954 2.439 -11.119 0.00 0.00 WAT1 ATOM 6182 H1 TIP3 1380 61.887 2.651 -11.153 0.00 0.00 WAT1 ATOM 6183 H2 TIP3 1380 60.719 2.541 -10.196 0.00 0.00 WAT1 ATOM 6184 OH2 TIP3 1381 60.983 3.176 -8.343 0.00 0.00 WAT1 ATOM 6185 H1 TIP3 1381 60.140 3.444 -7.977 0.00 0.00 WAT1 ATOM 6186 H2 TIP3 1381 61.426 3.998 -8.554 0.00 0.00 WAT1 ATOM 6187 OH2 TIP3 1382 47.259 11.106 -4.363 0.00 0.00 WAT1 ATOM 6188 H1 TIP3 1382 46.438 11.281 -4.823 0.00 0.00 WAT1 ATOM 6189 H2 TIP3 1382 47.007 11.033 -3.442 0.00 0.00 WAT1 ATOM 6190 OH2 TIP3 1383 54.524 13.480 -5.145 0.00 0.00 WAT1 ATOM 6191 H1 TIP3 1383 54.709 13.146 -4.267 0.00 0.00 WAT1 ATOM 6192 H2 TIP3 1383 55.371 13.789 -5.467 0.00 0.00 WAT1 ATOM 6193 OH2 TIP3 1384 47.615 15.337 -8.057 0.00 0.00 WAT1 ATOM 6194 H1 TIP3 1384 46.895 15.777 -8.508 0.00 0.00 WAT1 ATOM 6195 H2 TIP3 1384 47.249 15.086 -7.208 0.00 0.00 WAT1 ATOM 6196 OH2 TIP3 1385 50.082 14.937 -9.027 0.00 0.00 WAT1 ATOM 6197 H1 TIP3 1385 49.217 15.009 -8.623 0.00 0.00 WAT1 ATOM 6198 H2 TIP3 1385 50.027 15.484 -9.811 0.00 0.00 WAT1 ATOM 6199 OH2 TIP3 1386 54.793 14.825 -9.851 0.00 0.00 WAT1 ATOM 6200 H1 TIP3 1386 54.336 15.354 -10.505 0.00 0.00 WAT1 ATOM 6201 H2 TIP3 1386 54.956 15.428 -9.126 0.00 0.00 WAT1 ATOM 6202 OH2 TIP3 1387 57.120 13.703 -8.906 0.00 0.00 WAT1 ATOM 6203 H1 TIP3 1387 56.216 13.868 -9.172 0.00 0.00 WAT1 ATOM 6204 H2 TIP3 1387 57.549 14.556 -8.972 0.00 0.00 WAT1 ATOM 6205 OH2 TIP3 1388 47.030 13.960 -11.146 0.00 0.00 WAT1 ATOM 6206 H1 TIP3 1388 47.011 13.535 -10.289 0.00 0.00 WAT1 ATOM 6207 H2 TIP3 1388 47.835 13.642 -11.555 0.00 0.00 WAT1 ATOM 6208 OH2 TIP3 1389 60.359 -3.089 -12.386 0.00 0.00 WAT1 ATOM 6209 H1 TIP3 1389 60.963 -2.541 -12.887 0.00 0.00 WAT1 ATOM 6210 H2 TIP3 1389 59.490 -2.769 -12.626 0.00 0.00 WAT1 ATOM 6211 OH2 TIP3 1390 62.086 -1.950 -14.052 0.00 0.00 WAT1 ATOM 6212 H1 TIP3 1390 62.698 -2.464 -14.579 0.00 0.00 WAT1 ATOM 6213 H2 TIP3 1390 62.469 -1.072 -14.029 0.00 0.00 WAT1 ATOM 6214 OH2 TIP3 1391 46.281 13.184 -17.975 0.00 0.00 WAT1 ATOM 6215 H1 TIP3 1391 45.596 13.146 -18.643 0.00 0.00 WAT1 ATOM 6216 H2 TIP3 1391 46.284 14.097 -17.687 0.00 0.00 WAT1 ATOM 6217 OH2 TIP3 1392 55.145 14.394 -19.578 0.00 0.00 WAT1 ATOM 6218 H1 TIP3 1392 56.011 14.760 -19.756 0.00 0.00 WAT1 ATOM 6219 H2 TIP3 1392 54.898 13.954 -20.391 0.00 0.00 WAT1 ATOM 6220 OH2 TIP3 1393 49.474 -2.697 -3.623 0.00 0.00 WAT1 ATOM 6221 H1 TIP3 1393 50.373 -2.971 -3.808 0.00 0.00 WAT1 ATOM 6222 H2 TIP3 1393 49.088 -3.440 -3.159 0.00 0.00 WAT1 ATOM 6223 OH2 TIP3 1394 48.099 14.104 -20.950 0.00 0.00 WAT1 ATOM 6224 H1 TIP3 1394 47.831 14.391 -20.077 0.00 0.00 WAT1 ATOM 6225 H2 TIP3 1394 48.870 13.558 -20.798 0.00 0.00 WAT1 ATOM 6226 OH2 TIP3 1395 55.397 4.296 -1.371 0.00 0.00 WAT1 ATOM 6227 H1 TIP3 1395 56.098 4.318 -0.720 0.00 0.00 WAT1 ATOM 6228 H2 TIP3 1395 55.699 3.668 -2.027 0.00 0.00 WAT1 ATOM 6229 OH2 TIP3 1396 54.670 0.119 -1.473 0.00 0.00 WAT1 ATOM 6230 H1 TIP3 1396 54.416 0.138 -0.550 0.00 0.00 WAT1 ATOM 6231 H2 TIP3 1396 54.413 -0.753 -1.774 0.00 0.00 WAT1 ATOM 6232 OH2 TIP3 1397 51.552 0.564 -2.372 0.00 0.00 WAT1 ATOM 6233 H1 TIP3 1397 51.121 0.119 -1.642 0.00 0.00 WAT1 ATOM 6234 H2 TIP3 1397 50.834 0.936 -2.884 0.00 0.00 WAT1 ATOM 6235 OH2 TIP3 1398 46.069 1.052 0.104 0.00 0.00 WAT1 ATOM 6236 H1 TIP3 1398 46.543 1.643 -0.481 0.00 0.00 WAT1 ATOM 6237 H2 TIP3 1398 45.351 1.583 0.451 0.00 0.00 WAT1 ATOM 6238 OH2 TIP3 1399 51.496 2.147 1.444 0.00 0.00 WAT1 ATOM 6239 H1 TIP3 1399 52.428 2.276 1.622 0.00 0.00 WAT1 ATOM 6240 H2 TIP3 1399 51.281 2.817 0.795 0.00 0.00 WAT1 ATOM 6241 OH2 TIP3 1400 50.170 3.342 -0.989 0.00 0.00 WAT1 ATOM 6242 H1 TIP3 1400 49.628 2.962 -1.680 0.00 0.00 WAT1 ATOM 6243 H2 TIP3 1400 51.004 3.536 -1.418 0.00 0.00 WAT1 ATOM 6244 OH2 TIP3 1401 46.760 5.582 -1.292 0.00 0.00 WAT1 ATOM 6245 H1 TIP3 1401 47.376 6.209 -0.913 0.00 0.00 WAT1 ATOM 6246 H2 TIP3 1401 45.898 5.898 -1.021 0.00 0.00 WAT1 ATOM 6247 OH2 TIP3 1402 52.785 10.672 -2.766 0.00 0.00 WAT1 ATOM 6248 H1 TIP3 1402 53.024 9.924 -3.314 0.00 0.00 WAT1 ATOM 6249 H2 TIP3 1402 52.516 10.284 -1.934 0.00 0.00 WAT1 ATOM 6250 OH2 TIP3 1403 48.175 7.495 0.200 0.00 0.00 WAT1 ATOM 6251 H1 TIP3 1403 47.489 7.847 0.767 0.00 0.00 WAT1 ATOM 6252 H2 TIP3 1403 48.698 8.258 -0.046 0.00 0.00 WAT1 ATOM 6253 OH2 TIP3 1404 50.532 -0.319 0.037 0.00 0.00 WAT1 ATOM 6254 H1 TIP3 1404 50.449 0.570 0.383 0.00 0.00 WAT1 ATOM 6255 H2 TIP3 1404 51.422 -0.584 0.268 0.00 0.00 WAT1 ATOM 6256 OH2 TIP3 1405 48.791 10.109 -0.903 0.00 0.00 WAT1 ATOM 6257 H1 TIP3 1405 49.383 10.808 -0.627 0.00 0.00 WAT1 ATOM 6258 H2 TIP3 1405 49.250 9.676 -1.622 0.00 0.00 WAT1 ATOM 6259 OH2 TIP3 1406 47.107 2.773 -1.787 0.00 0.00 WAT1 ATOM 6260 H1 TIP3 1406 47.062 3.712 -1.608 0.00 0.00 WAT1 ATOM 6261 H2 TIP3 1406 46.219 2.537 -2.057 0.00 0.00 WAT1 ATOM 6262 OH2 TIP3 1407 50.382 8.262 -2.537 0.00 0.00 WAT1 ATOM 6263 H1 TIP3 1407 50.446 7.468 -2.006 0.00 0.00 WAT1 ATOM 6264 H2 TIP3 1407 51.035 8.143 -3.226 0.00 0.00 WAT1 ATOM 6265 OH2 TIP3 1408 51.531 6.234 -0.231 0.00 0.00 WAT1 ATOM 6266 H1 TIP3 1408 51.072 5.750 0.455 0.00 0.00 WAT1 ATOM 6267 H2 TIP3 1408 51.786 5.566 -0.867 0.00 0.00 WAT1 ATOM 6268 OH2 TIP3 1409 52.602 4.477 -1.968 0.00 0.00 WAT1 ATOM 6269 H1 TIP3 1409 52.422 4.323 -2.896 0.00 0.00 WAT1 ATOM 6270 H2 TIP3 1409 53.553 4.585 -1.924 0.00 0.00 WAT1 ATOM 6271 OH2 TIP3 1410 46.380 -2.764 -0.017 0.00 0.00 WAT1 ATOM 6272 H1 TIP3 1410 46.819 -2.153 -0.608 0.00 0.00 WAT1 ATOM 6273 H2 TIP3 1410 45.746 -2.226 0.457 0.00 0.00 WAT1 ATOM 6274 OH2 TIP3 1411 48.241 -0.848 -1.574 0.00 0.00 WAT1 ATOM 6275 H1 TIP3 1411 48.732 -1.478 -2.102 0.00 0.00 WAT1 ATOM 6276 H2 TIP3 1411 48.864 -0.552 -0.911 0.00 0.00 WAT1 ATOM 6277 OH2 TIP3 1412 50.240 19.633 -13.293 0.00 0.00 WAT1 ATOM 6278 H1 TIP3 1412 50.283 20.493 -13.711 0.00 0.00 WAT1 ATOM 6279 H2 TIP3 1412 49.782 19.081 -13.926 0.00 0.00 WAT1 ATOM 6280 OH2 TIP3 1413 49.050 18.551 -9.219 0.00 0.00 WAT1 ATOM 6281 H1 TIP3 1413 48.831 19.081 -9.985 0.00 0.00 WAT1 ATOM 6282 H2 TIP3 1413 48.382 18.778 -8.571 0.00 0.00 WAT1 ATOM 6283 OH2 TIP3 1414 53.076 15.857 -11.766 0.00 0.00 WAT1 ATOM 6284 H1 TIP3 1414 52.959 14.908 -11.820 0.00 0.00 WAT1 ATOM 6285 H2 TIP3 1414 52.221 16.189 -11.493 0.00 0.00 WAT1 ATOM 6286 OH2 TIP3 1415 50.345 16.760 -10.988 0.00 0.00 WAT1 ATOM 6287 H1 TIP3 1415 49.484 16.673 -11.396 0.00 0.00 WAT1 ATOM 6288 H2 TIP3 1415 50.323 17.616 -10.561 0.00 0.00 WAT1 ATOM 6289 OH2 TIP3 1416 55.008 16.482 -7.614 0.00 0.00 WAT1 ATOM 6290 H1 TIP3 1416 55.428 16.067 -6.861 0.00 0.00 WAT1 ATOM 6291 H2 TIP3 1416 54.075 16.304 -7.497 0.00 0.00 WAT1 ATOM 6292 OH2 TIP3 1417 53.015 19.374 -13.895 0.00 0.00 WAT1 ATOM 6293 H1 TIP3 1417 52.104 19.431 -13.606 0.00 0.00 WAT1 ATOM 6294 H2 TIP3 1417 53.520 19.314 -13.084 0.00 0.00 WAT1 ATOM 6295 OH2 TIP3 1418 49.337 18.298 -15.590 0.00 0.00 WAT1 ATOM 6296 H1 TIP3 1418 49.020 17.396 -15.625 0.00 0.00 WAT1 ATOM 6297 H2 TIP3 1418 50.118 18.300 -16.142 0.00 0.00 WAT1 ATOM 6298 OH2 TIP3 1419 54.875 17.474 -15.507 0.00 0.00 WAT1 ATOM 6299 H1 TIP3 1419 54.528 18.092 -14.862 0.00 0.00 WAT1 ATOM 6300 H2 TIP3 1419 55.533 17.975 -15.988 0.00 0.00 WAT1 ATOM 6301 OH2 TIP3 1420 50.532 18.537 -18.819 0.00 0.00 WAT1 ATOM 6302 H1 TIP3 1420 50.449 19.426 -18.473 0.00 0.00 WAT1 ATOM 6303 H2 TIP3 1420 51.422 18.272 -18.588 0.00 0.00 WAT1 ATOM 6304 OH2 TIP3 1421 47.915 16.411 -11.970 0.00 0.00 WAT1 ATOM 6305 H1 TIP3 1421 47.686 16.470 -12.897 0.00 0.00 WAT1 ATOM 6306 H2 TIP3 1421 47.472 15.619 -11.663 0.00 0.00 WAT1 ATOM 6307 OH2 TIP3 1422 52.378 16.164 -7.724 0.00 0.00 WAT1 ATOM 6308 H1 TIP3 1422 52.280 17.111 -7.830 0.00 0.00 WAT1 ATOM 6309 H2 TIP3 1422 51.635 15.792 -8.200 0.00 0.00 WAT1 ATOM 6310 OH2 TIP3 1423 52.600 15.458 -5.053 0.00 0.00 WAT1 ATOM 6311 H1 TIP3 1423 53.312 14.818 -5.067 0.00 0.00 WAT1 ATOM 6312 H2 TIP3 1423 52.499 15.725 -5.967 0.00 0.00 WAT1 ATOM 6313 OH2 TIP3 1424 55.217 17.660 -12.498 0.00 0.00 WAT1 ATOM 6314 H1 TIP3 1424 54.542 17.031 -12.243 0.00 0.00 WAT1 ATOM 6315 H2 TIP3 1424 55.781 17.176 -13.101 0.00 0.00 WAT1 ATOM 6316 OH2 TIP3 1425 47.543 16.294 -14.676 0.00 0.00 WAT1 ATOM 6317 H1 TIP3 1425 46.766 16.060 -15.184 0.00 0.00 WAT1 ATOM 6318 H2 TIP3 1425 48.074 15.497 -14.668 0.00 0.00 WAT1 ATOM 6319 OH2 TIP3 1426 46.380 16.092 -18.873 0.00 0.00 WAT1 ATOM 6320 H1 TIP3 1426 46.819 16.703 -19.464 0.00 0.00 WAT1 ATOM 6321 H2 TIP3 1426 45.746 16.630 -18.399 0.00 0.00 WAT1 ATOM 6322 OH2 TIP3 1427 57.680 16.251 -13.214 0.00 0.00 WAT1 ATOM 6323 H1 TIP3 1427 57.756 16.346 -14.163 0.00 0.00 WAT1 ATOM 6324 H2 TIP3 1427 57.404 15.343 -13.085 0.00 0.00 WAT1 ATOM 6325 OH2 TIP3 1428 53.267 18.301 -17.973 0.00 0.00 WAT1 ATOM 6326 H1 TIP3 1428 53.445 17.655 -17.290 0.00 0.00 WAT1 ATOM 6327 H2 TIP3 1428 53.213 19.135 -17.506 0.00 0.00 WAT1 ATOM 6328 OH2 TIP3 1429 64.333 -10.745 -45.739 0.00 0.00 WAT1 ATOM 6329 H1 TIP3 1429 63.832 -10.773 -46.554 0.00 0.00 WAT1 ATOM 6330 H2 TIP3 1429 64.339 -11.651 -45.429 0.00 0.00 WAT1 ATOM 6331 OH2 TIP3 1430 64.494 -13.193 -44.537 0.00 0.00 WAT1 ATOM 6332 H1 TIP3 1430 64.717 -13.611 -43.705 0.00 0.00 WAT1 ATOM 6333 H2 TIP3 1430 63.892 -13.806 -44.959 0.00 0.00 WAT1 ATOM 6334 OH2 TIP3 1431 64.990 -4.748 -42.191 0.00 0.00 WAT1 ATOM 6335 H1 TIP3 1431 65.530 -4.965 -41.432 0.00 0.00 WAT1 ATOM 6336 H2 TIP3 1431 64.509 -5.554 -42.381 0.00 0.00 WAT1 ATOM 6337 OH2 TIP3 1432 64.897 -10.938 -41.237 0.00 0.00 WAT1 ATOM 6338 H1 TIP3 1432 65.041 -11.840 -41.523 0.00 0.00 WAT1 ATOM 6339 H2 TIP3 1432 64.124 -10.652 -41.725 0.00 0.00 WAT1 ATOM 6340 OH2 TIP3 1433 65.729 -13.738 -41.817 0.00 0.00 WAT1 ATOM 6341 H1 TIP3 1433 66.137 -14.595 -41.938 0.00 0.00 WAT1 ATOM 6342 H2 TIP3 1433 65.469 -13.723 -40.896 0.00 0.00 WAT1 ATOM 6343 OH2 TIP3 1434 64.121 -17.232 -42.578 0.00 0.00 WAT1 ATOM 6344 H1 TIP3 1434 65.040 -17.354 -42.342 0.00 0.00 WAT1 ATOM 6345 H2 TIP3 1434 63.671 -17.982 -42.189 0.00 0.00 WAT1 ATOM 6346 OH2 TIP3 1435 66.115 -7.750 -42.075 0.00 0.00 WAT1 ATOM 6347 H1 TIP3 1435 65.294 -7.575 -42.535 0.00 0.00 WAT1 ATOM 6348 H2 TIP3 1435 65.863 -7.823 -41.154 0.00 0.00 WAT1 ATOM 6349 OH2 TIP3 1436 66.779 -13.392 -28.562 0.00 0.00 WAT1 ATOM 6350 H1 TIP3 1436 66.821 -14.018 -27.838 0.00 0.00 WAT1 ATOM 6351 H2 TIP3 1436 67.482 -12.769 -28.380 0.00 0.00 WAT1 ATOM 6352 OH2 TIP3 1437 67.703 -8.942 -30.027 0.00 0.00 WAT1 ATOM 6353 H1 TIP3 1437 67.333 -9.744 -30.396 0.00 0.00 WAT1 ATOM 6354 H2 TIP3 1437 68.644 -9.111 -29.980 0.00 0.00 WAT1 ATOM 6355 OH2 TIP3 1438 64.313 -15.282 -34.634 0.00 0.00 WAT1 ATOM 6356 H1 TIP3 1438 63.865 -14.436 -34.652 0.00 0.00 WAT1 ATOM 6357 H2 TIP3 1438 63.752 -15.862 -35.149 0.00 0.00 WAT1 ATOM 6358 OH2 TIP3 1439 65.023 -13.120 -32.508 0.00 0.00 WAT1 ATOM 6359 H1 TIP3 1439 65.237 -13.890 -31.981 0.00 0.00 WAT1 ATOM 6360 H2 TIP3 1439 65.761 -13.031 -33.111 0.00 0.00 WAT1 ATOM 6361 OH2 TIP3 1440 65.716 -15.682 -31.387 0.00 0.00 WAT1 ATOM 6362 H1 TIP3 1440 66.370 -16.232 -30.955 0.00 0.00 WAT1 ATOM 6363 H2 TIP3 1440 65.740 -15.956 -32.303 0.00 0.00 WAT1 ATOM 6364 OH2 TIP3 1441 65.004 -9.850 -36.218 0.00 0.00 WAT1 ATOM 6365 H1 TIP3 1441 64.732 -9.621 -37.107 0.00 0.00 WAT1 ATOM 6366 H2 TIP3 1441 65.049 -9.012 -35.758 0.00 0.00 WAT1 ATOM 6367 OH2 TIP3 1442 64.333 -10.745 -26.883 0.00 0.00 WAT1 ATOM 6368 H1 TIP3 1442 63.832 -10.773 -27.698 0.00 0.00 WAT1 ATOM 6369 H2 TIP3 1442 64.339 -11.651 -26.573 0.00 0.00 WAT1 ATOM 6370 OH2 TIP3 1443 64.084 -7.965 -29.999 0.00 0.00 WAT1 ATOM 6371 H1 TIP3 1443 65.030 -8.109 -30.018 0.00 0.00 WAT1 ATOM 6372 H2 TIP3 1443 63.971 -7.181 -29.462 0.00 0.00 WAT1 ATOM 6373 OH2 TIP3 1444 67.328 -5.164 -33.854 0.00 0.00 WAT1 ATOM 6374 H1 TIP3 1444 67.480 -5.512 -32.975 0.00 0.00 WAT1 ATOM 6375 H2 TIP3 1444 66.477 -5.520 -34.109 0.00 0.00 WAT1 ATOM 6376 OH2 TIP3 1445 66.582 -9.422 -25.840 0.00 0.00 WAT1 ATOM 6377 H1 TIP3 1445 66.799 -9.783 -24.980 0.00 0.00 WAT1 ATOM 6378 H2 TIP3 1445 65.727 -9.796 -26.050 0.00 0.00 WAT1 ATOM 6379 OH2 TIP3 1446 63.650 -18.550 -33.032 0.00 0.00 WAT1 ATOM 6380 H1 TIP3 1446 64.281 -18.579 -32.312 0.00 0.00 WAT1 ATOM 6381 H2 TIP3 1446 64.100 -18.975 -33.762 0.00 0.00 WAT1 ATOM 6382 OH2 TIP3 1447 64.925 -17.804 -37.608 0.00 0.00 WAT1 ATOM 6383 H1 TIP3 1447 65.399 -17.213 -38.193 0.00 0.00 WAT1 ATOM 6384 H2 TIP3 1447 64.207 -17.273 -37.261 0.00 0.00 WAT1 ATOM 6385 OH2 TIP3 1448 66.699 -16.709 -33.924 0.00 0.00 WAT1 ATOM 6386 H1 TIP3 1448 65.810 -16.609 -34.264 0.00 0.00 WAT1 ATOM 6387 H2 TIP3 1448 66.995 -17.551 -34.270 0.00 0.00 WAT1 ATOM 6388 OH2 TIP3 1449 67.486 -11.654 -30.996 0.00 0.00 WAT1 ATOM 6389 H1 TIP3 1449 68.231 -11.656 -31.597 0.00 0.00 WAT1 ATOM 6390 H2 TIP3 1449 67.564 -12.478 -30.514 0.00 0.00 WAT1 ATOM 6391 OH2 TIP3 1450 64.494 -13.193 -25.681 0.00 0.00 WAT1 ATOM 6392 H1 TIP3 1450 64.717 -13.611 -24.849 0.00 0.00 WAT1 ATOM 6393 H2 TIP3 1450 63.892 -13.806 -26.103 0.00 0.00 WAT1 ATOM 6394 OH2 TIP3 1451 65.616 -13.274 -39.004 0.00 0.00 WAT1 ATOM 6395 H1 TIP3 1451 66.232 -12.647 -38.625 0.00 0.00 WAT1 ATOM 6396 H2 TIP3 1451 64.754 -12.958 -38.733 0.00 0.00 WAT1 ATOM 6397 OH2 TIP3 1452 65.779 -6.635 -27.688 0.00 0.00 WAT1 ATOM 6398 H1 TIP3 1452 65.996 -7.567 -27.719 0.00 0.00 WAT1 ATOM 6399 H2 TIP3 1452 66.026 -6.361 -26.804 0.00 0.00 WAT1 ATOM 6400 OH2 TIP3 1453 67.031 -11.361 -37.512 0.00 0.00 WAT1 ATOM 6401 H1 TIP3 1453 66.345 -11.009 -36.945 0.00 0.00 WAT1 ATOM 6402 H2 TIP3 1453 67.554 -10.598 -37.758 0.00 0.00 WAT1 ATOM 6403 OH2 TIP3 1454 67.647 -8.747 -38.615 0.00 0.00 WAT1 ATOM 6404 H1 TIP3 1454 68.239 -8.048 -38.339 0.00 0.00 WAT1 ATOM 6405 H2 TIP3 1454 68.106 -9.180 -39.334 0.00 0.00 WAT1 ATOM 6406 OH2 TIP3 1455 65.963 -16.083 -39.499 0.00 0.00 WAT1 ATOM 6407 H1 TIP3 1455 65.918 -15.144 -39.320 0.00 0.00 WAT1 ATOM 6408 H2 TIP3 1455 65.075 -16.319 -39.769 0.00 0.00 WAT1 ATOM 6409 OH2 TIP3 1456 65.701 -7.361 -34.665 0.00 0.00 WAT1 ATOM 6410 H1 TIP3 1456 64.869 -6.888 -34.638 0.00 0.00 WAT1 ATOM 6411 H2 TIP3 1456 66.247 -6.851 -35.264 0.00 0.00 WAT1 ATOM 6412 OH2 TIP3 1457 64.990 -4.748 -23.335 0.00 0.00 WAT1 ATOM 6413 H1 TIP3 1457 65.530 -4.965 -22.576 0.00 0.00 WAT1 ATOM 6414 H2 TIP3 1457 64.509 -5.554 -23.525 0.00 0.00 WAT1 ATOM 6415 OH2 TIP3 1458 64.897 -10.938 -22.381 0.00 0.00 WAT1 ATOM 6416 H1 TIP3 1458 65.041 -11.840 -22.667 0.00 0.00 WAT1 ATOM 6417 H2 TIP3 1458 64.124 -10.652 -22.869 0.00 0.00 WAT1 ATOM 6418 OH2 TIP3 1459 65.729 -13.738 -22.961 0.00 0.00 WAT1 ATOM 6419 H1 TIP3 1459 66.137 -14.595 -23.082 0.00 0.00 WAT1 ATOM 6420 H2 TIP3 1459 65.469 -13.723 -22.040 0.00 0.00 WAT1 ATOM 6421 OH2 TIP3 1460 64.924 -9.052 -39.196 0.00 0.00 WAT1 ATOM 6422 H1 TIP3 1460 65.838 -8.973 -38.923 0.00 0.00 WAT1 ATOM 6423 H2 TIP3 1460 64.931 -9.739 -39.863 0.00 0.00 WAT1 ATOM 6424 OH2 TIP3 1461 63.573 -3.659 -34.119 0.00 0.00 WAT1 ATOM 6425 H1 TIP3 1461 62.926 -4.121 -34.652 0.00 0.00 WAT1 ATOM 6426 H2 TIP3 1461 63.928 -4.331 -33.536 0.00 0.00 WAT1 ATOM 6427 OH2 TIP3 1462 64.443 -5.578 -32.314 0.00 0.00 WAT1 ATOM 6428 H1 TIP3 1462 64.109 -6.459 -32.142 0.00 0.00 WAT1 ATOM 6429 H2 TIP3 1462 64.665 -5.233 -31.450 0.00 0.00 WAT1 ATOM 6430 OH2 TIP3 1463 64.523 -12.503 -29.863 0.00 0.00 WAT1 ATOM 6431 H1 TIP3 1463 64.707 -12.585 -30.798 0.00 0.00 WAT1 ATOM 6432 H2 TIP3 1463 65.372 -12.627 -29.439 0.00 0.00 WAT1 ATOM 6433 OH2 TIP3 1464 64.121 -17.232 -23.722 0.00 0.00 WAT1 ATOM 6434 H1 TIP3 1464 65.040 -17.354 -23.486 0.00 0.00 WAT1 ATOM 6435 H2 TIP3 1464 63.671 -17.982 -23.333 0.00 0.00 WAT1 ATOM 6436 OH2 TIP3 1465 63.646 -15.921 -29.762 0.00 0.00 WAT1 ATOM 6437 H1 TIP3 1465 64.138 -16.142 -30.552 0.00 0.00 WAT1 ATOM 6438 H2 TIP3 1465 64.008 -15.080 -29.481 0.00 0.00 WAT1 ATOM 6439 OH2 TIP3 1466 63.959 -19.663 -35.707 0.00 0.00 WAT1 ATOM 6440 H1 TIP3 1466 63.034 -19.454 -35.837 0.00 0.00 WAT1 ATOM 6441 H2 TIP3 1466 64.413 -19.179 -36.397 0.00 0.00 WAT1 ATOM 6442 OH2 TIP3 1467 66.115 -7.750 -23.219 0.00 0.00 WAT1 ATOM 6443 H1 TIP3 1467 65.294 -7.575 -23.679 0.00 0.00 WAT1 ATOM 6444 H2 TIP3 1467 65.863 -7.823 -22.298 0.00 0.00 WAT1 ATOM 6445 OH2 TIP3 1468 65.886 -4.896 -30.002 0.00 0.00 WAT1 ATOM 6446 H1 TIP3 1468 65.867 -5.321 -29.145 0.00 0.00 WAT1 ATOM 6447 H2 TIP3 1468 66.691 -5.214 -30.411 0.00 0.00 WAT1 ATOM 6448 OH2 TIP3 1469 68.027 -6.186 -31.347 0.00 0.00 WAT1 ATOM 6449 H1 TIP3 1469 67.808 -7.102 -31.178 0.00 0.00 WAT1 ATOM 6450 H2 TIP3 1469 68.851 -6.046 -30.881 0.00 0.00 WAT1 ATOM 6451 OH2 TIP3 1470 65.137 -5.672 -36.831 0.00 0.00 WAT1 ATOM 6452 H1 TIP3 1470 64.452 -5.710 -37.499 0.00 0.00 WAT1 ATOM 6453 H2 TIP3 1470 65.140 -4.759 -36.543 0.00 0.00 WAT1 ATOM 6454 OH2 TIP3 1471 66.955 -4.752 -39.806 0.00 0.00 WAT1 ATOM 6455 H1 TIP3 1471 66.687 -4.465 -38.933 0.00 0.00 WAT1 ATOM 6456 H2 TIP3 1471 67.726 -5.298 -39.654 0.00 0.00 WAT1 ATOM 6457 OH2 TIP3 1472 64.084 -7.965 -11.143 0.00 0.00 WAT1 ATOM 6458 H1 TIP3 1472 65.030 -8.109 -11.162 0.00 0.00 WAT1 ATOM 6459 H2 TIP3 1472 63.971 -7.181 -10.606 0.00 0.00 WAT1 ATOM 6460 OH2 TIP3 1473 65.616 -13.274 -20.148 0.00 0.00 WAT1 ATOM 6461 H1 TIP3 1473 66.232 -12.647 -19.769 0.00 0.00 WAT1 ATOM 6462 H2 TIP3 1473 64.754 -12.958 -19.877 0.00 0.00 WAT1 ATOM 6463 OH2 TIP3 1474 65.701 -7.361 -15.809 0.00 0.00 WAT1 ATOM 6464 H1 TIP3 1474 64.869 -6.888 -15.782 0.00 0.00 WAT1 ATOM 6465 H2 TIP3 1474 66.247 -6.851 -16.408 0.00 0.00 WAT1 ATOM 6466 OH2 TIP3 1475 64.924 -9.052 -20.340 0.00 0.00 WAT1 ATOM 6467 H1 TIP3 1475 65.838 -8.973 -20.067 0.00 0.00 WAT1 ATOM 6468 H2 TIP3 1475 64.931 -9.739 -21.007 0.00 0.00 WAT1 ATOM 6469 OH2 TIP3 1476 63.573 -3.659 -15.263 0.00 0.00 WAT1 ATOM 6470 H1 TIP3 1476 62.926 -4.121 -15.796 0.00 0.00 WAT1 ATOM 6471 H2 TIP3 1476 63.928 -4.331 -14.680 0.00 0.00 WAT1 ATOM 6472 OH2 TIP3 1477 64.443 -5.578 -13.458 0.00 0.00 WAT1 ATOM 6473 H1 TIP3 1477 64.109 -6.459 -13.286 0.00 0.00 WAT1 ATOM 6474 H2 TIP3 1477 64.665 -5.233 -12.594 0.00 0.00 WAT1 ATOM 6475 OH2 TIP3 1478 63.646 -15.921 -10.906 0.00 0.00 WAT1 ATOM 6476 H1 TIP3 1478 64.138 -16.142 -11.696 0.00 0.00 WAT1 ATOM 6477 H2 TIP3 1478 64.008 -15.080 -10.625 0.00 0.00 WAT1 ATOM 6478 OH2 TIP3 1479 65.137 -5.672 -17.975 0.00 0.00 WAT1 ATOM 6479 H1 TIP3 1479 64.452 -5.710 -18.643 0.00 0.00 WAT1 ATOM 6480 H2 TIP3 1479 65.140 -4.759 -17.687 0.00 0.00 WAT1 ATOM 6481 OH2 TIP3 1480 66.955 -4.752 -20.950 0.00 0.00 WAT1 ATOM 6482 H1 TIP3 1480 66.687 -4.465 -20.077 0.00 0.00 WAT1 ATOM 6483 H2 TIP3 1480 67.726 -5.298 -20.798 0.00 0.00 WAT1 ATOM 6484 OH2 TIP3 1481 63.650 0.306 -33.032 0.00 0.00 WAT1 ATOM 6485 H1 TIP3 1481 64.281 0.277 -32.312 0.00 0.00 WAT1 ATOM 6486 H2 TIP3 1481 64.100 -0.119 -33.762 0.00 0.00 WAT1 ATOM 6487 OH2 TIP3 1482 64.121 1.624 -23.722 0.00 0.00 WAT1 ATOM 6488 H1 TIP3 1482 65.040 1.502 -23.486 0.00 0.00 WAT1 ATOM 6489 H2 TIP3 1482 63.671 0.874 -23.333 0.00 0.00 WAT1 ATOM 6490 OH2 TIP3 1483 65.342 -0.064 -30.831 0.00 0.00 WAT1 ATOM 6491 H1 TIP3 1483 65.787 -0.856 -30.529 0.00 0.00 WAT1 ATOM 6492 H2 TIP3 1483 65.808 0.652 -30.400 0.00 0.00 WAT1 ATOM 6493 OH2 TIP3 1484 63.646 2.935 -29.762 0.00 0.00 WAT1 ATOM 6494 H1 TIP3 1484 64.138 2.714 -30.552 0.00 0.00 WAT1 ATOM 6495 H2 TIP3 1484 64.008 3.776 -29.481 0.00 0.00 WAT1 ATOM 6496 OH2 TIP3 1485 63.959 -0.807 -35.707 0.00 0.00 WAT1 ATOM 6497 H1 TIP3 1485 63.034 -0.598 -35.837 0.00 0.00 WAT1 ATOM 6498 H2 TIP3 1485 64.413 -0.323 -36.397 0.00 0.00 WAT1 ATOM 6499 OH2 TIP3 1486 63.923 -2.069 -27.363 0.00 0.00 WAT1 ATOM 6500 H1 TIP3 1486 63.258 -2.315 -26.720 0.00 0.00 WAT1 ATOM 6501 H2 TIP3 1486 63.480 -1.447 -27.940 0.00 0.00 WAT1 ATOM 6502 OH2 TIP3 1487 66.399 -2.562 -33.532 0.00 0.00 WAT1 ATOM 6503 H1 TIP3 1487 65.622 -2.796 -34.040 0.00 0.00 WAT1 ATOM 6504 H2 TIP3 1487 66.930 -3.359 -33.524 0.00 0.00 WAT1 ATOM 6505 OH2 TIP3 1488 65.236 -2.764 -37.729 0.00 0.00 WAT1 ATOM 6506 H1 TIP3 1488 65.675 -2.153 -38.320 0.00 0.00 WAT1 ATOM 6507 H2 TIP3 1488 64.602 -2.226 -37.255 0.00 0.00 WAT1 ATOM 6508 OH2 TIP3 1489 64.313 3.574 -15.778 0.00 0.00 WAT1 ATOM 6509 H1 TIP3 1489 63.865 4.420 -15.796 0.00 0.00 WAT1 ATOM 6510 H2 TIP3 1489 63.752 2.994 -16.293 0.00 0.00 WAT1 ATOM 6511 OH2 TIP3 1490 63.650 0.306 -14.176 0.00 0.00 WAT1 ATOM 6512 H1 TIP3 1490 64.281 0.277 -13.456 0.00 0.00 WAT1 ATOM 6513 H2 TIP3 1490 64.100 -0.119 -14.906 0.00 0.00 WAT1 ATOM 6514 OH2 TIP3 1491 64.925 1.052 -18.752 0.00 0.00 WAT1 ATOM 6515 H1 TIP3 1491 65.399 1.643 -19.337 0.00 0.00 WAT1 ATOM 6516 H2 TIP3 1491 64.207 1.583 -18.405 0.00 0.00 WAT1 ATOM 6517 OH2 TIP3 1492 65.963 2.773 -20.643 0.00 0.00 WAT1 ATOM 6518 H1 TIP3 1492 65.918 3.712 -20.464 0.00 0.00 WAT1 ATOM 6519 H2 TIP3 1492 65.075 2.537 -20.913 0.00 0.00 WAT1 ATOM 6520 OH2 TIP3 1493 65.342 -0.064 -11.975 0.00 0.00 WAT1 ATOM 6521 H1 TIP3 1493 65.787 -0.856 -11.673 0.00 0.00 WAT1 ATOM 6522 H2 TIP3 1493 65.808 0.652 -11.544 0.00 0.00 WAT1 ATOM 6523 OH2 TIP3 1494 63.646 2.935 -10.906 0.00 0.00 WAT1 ATOM 6524 H1 TIP3 1494 64.138 2.714 -11.696 0.00 0.00 WAT1 ATOM 6525 H2 TIP3 1494 64.008 3.776 -10.625 0.00 0.00 WAT1 ATOM 6526 OH2 TIP3 1495 63.959 -0.807 -16.851 0.00 0.00 WAT1 ATOM 6527 H1 TIP3 1495 63.034 -0.598 -16.981 0.00 0.00 WAT1 ATOM 6528 H2 TIP3 1495 64.413 -0.323 -17.541 0.00 0.00 WAT1 ATOM 6529 OH2 TIP3 1496 66.399 -2.562 -14.676 0.00 0.00 WAT1 ATOM 6530 H1 TIP3 1496 65.622 -2.796 -15.184 0.00 0.00 WAT1 ATOM 6531 H2 TIP3 1496 66.930 -3.359 -14.668 0.00 0.00 WAT1 ATOM 6532 OH2 TIP3 1497 65.236 -2.764 -18.873 0.00 0.00 WAT1 ATOM 6533 H1 TIP3 1497 65.675 -2.153 -19.464 0.00 0.00 WAT1 ATOM 6534 H2 TIP3 1497 64.602 -2.226 -18.399 0.00 0.00 WAT1 ATOM 6535 OH2 TIP3 1498 67.097 -0.848 -20.430 0.00 0.00 WAT1 ATOM 6536 H1 TIP3 1498 67.588 -1.478 -20.958 0.00 0.00 WAT1 ATOM 6537 H2 TIP3 1498 67.720 -0.552 -19.767 0.00 0.00 WAT1 END