REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" 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:13-Sep-2010 14:08:48 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 1.495 0.482 -2.001 1.00 12.53 ATOM 2 CB MET 1 3.405 0.764 -1.059 1.00 64.34 ATOM 3 HB1 MET 1 4.119 0.472 -1.820 1.00 36.63 ATOM 4 HB2 MET 1 3.818 0.517 -0.091 1.00 74.10 ATOM 5 CG MET 1 3.243 2.274 -1.124 1.00 22.34 ATOM 6 HG1 MET 1 4.143 2.731 -0.740 1.00 36.63 ATOM 7 HG2 MET 1 2.405 2.572 -0.510 1.00 45.42 ATOM 8 SD MET 1 2.971 2.872 -2.802 1.00 53.34 ATOM 9 CE MET 1 4.611 2.687 -3.498 1.00 75.25 ATOM 10 HE1 MET 1 4.872 1.640 -3.534 1.00 51.22 ATOM 11 HE2 MET 1 5.325 3.214 -2.882 1.00 74.13 ATOM 12 HE3 MET 1 4.626 3.096 -4.497 1.00 25.33 ATOM 13 C MET 1 2.381 -1.426 -1.703 1.00 31.24 ATOM 14 O MET 1 3.474 -1.725 -2.181 1.00 21.20 ATOM 15 N MET 1 1.329 0.000 0.000 1.00 0.00 ATOM 16 HT1 MET 1 1.802 -0.580 0.727 1.00 36.63 ATOM 17 HT2 MET 1 0.373 -0.374 -0.159 1.00 36.63 ATOM 18 HT3 MET 1 1.232 0.970 0.368 1.00 36.63 ATOM 19 CA MET 1 2.093 -0.001 -1.242 1.00 52.33 ATOM 20 N GLY 2 1.392 -2.303 -1.554 1.00 41.31 ATOM 21 HN GLY 2 0.526 -2.024 -1.194 1.00 36.63 ATOM 22 CA GLY 2 1.560 -3.686 -1.959 1.00 61.20 ATOM 23 HA1 GLY 2 1.930 -3.718 -2.977 1.00 36.63 ATOM 24 HA2 GLY 2 0.594 -4.172 -1.932 1.00 64.13 ATOM 25 C GLY 2 2.526 -4.439 -1.065 1.00 51.43 ATOM 26 O GLY 2 3.741 -4.264 -1.166 1.00 32.22 ATOM 27 N HIS 3 1.986 -5.277 -0.187 1.00 32.25 ATOM 28 HN HIS 3 1.007 -5.385 -0.150 1.00 36.63 ATOM 29 CA HIS 3 2.809 -6.058 0.730 1.00 34.41 ATOM 30 HA HIS 3 3.848 -5.767 0.618 1.00 24.32 ATOM 31 CB HIS 3 2.395 -5.787 2.177 1.00 24.40 ATOM 32 HB1 HIS 3 3.090 -6.281 2.841 1.00 36.63 ATOM 33 HB2 HIS 3 1.401 -6.182 2.347 1.00 72.44 ATOM 34 CG HIS 3 2.378 -4.332 2.532 1.00 33.53 ATOM 35 ND1 HIS 3 3.523 -3.577 2.669 1.00 22.22 ATOM 36 HD1 HIS 3 4.440 -3.902 2.553 1.00 60.22 ATOM 37 CD2 HIS 3 1.344 -3.494 2.778 1.00 41.45 ATOM 38 HD2 HIS 3 0.294 -3.749 2.759 1.00 3.01 ATOM 39 CE1 HIS 3 3.195 -2.337 2.985 1.00 61.11 ATOM 40 HE1 HIS 3 3.886 -1.524 3.155 1.00 20.22 ATOM 41 NE2 HIS 3 1.878 -2.260 3.056 1.00 4.34 ATOM 42 HE2 HIS 3 1.366 -1.433 3.180 1.00 36.63 ATOM 43 C HIS 3 2.694 -7.549 0.427 1.00 61.33 ATOM 44 O HIS 3 1.847 -8.245 0.989 1.00 4.52 ATOM 45 N HIS 4 3.551 -8.034 -0.467 1.00 31.15 ATOM 46 HN HIS 4 4.222 -7.429 -0.867 1.00 36.63 ATOM 47 CA HIS 4 3.546 -9.443 -0.845 1.00 15.22 ATOM 48 HA HIS 4 2.518 -9.758 -0.982 1.00 21.31 ATOM 49 CB HIS 4 4.294 -9.641 -2.163 1.00 70.51 ATOM 50 HB1 HIS 4 4.126 -10.649 -2.514 1.00 36.63 ATOM 51 HB2 HIS 4 5.355 -9.495 -2.001 1.00 24.42 ATOM 52 CG HIS 4 3.862 -8.700 -3.245 1.00 1.11 ATOM 53 ND1 HIS 4 2.556 -8.597 -3.676 1.00 64.54 ATOM 54 HD1 HIS 4 1.797 -9.113 -3.332 1.00 62.12 ATOM 55 CD2 HIS 4 4.571 -7.814 -3.982 1.00 41.34 ATOM 56 HD2 HIS 4 5.633 -7.625 -3.910 1.00 42.40 ATOM 57 CE1 HIS 4 2.481 -7.690 -4.634 1.00 23.33 ATOM 58 HE1 HIS 4 1.584 -7.399 -5.160 1.00 14.33 ATOM 59 NE2 HIS 4 3.690 -7.199 -4.838 1.00 63.22 ATOM 60 HE2 HIS 4 3.901 -6.445 -5.427 1.00 36.63 ATOM 61 C HIS 4 4.177 -10.301 0.247 1.00 45.10 ATOM 62 O HIS 4 3.614 -11.316 0.657 1.00 33.03 ATOM 63 N HIS 5 5.352 -9.887 0.713 1.00 74.10 ATOM 64 HN HIS 5 5.754 -9.061 0.352 1.00 36.63 ATOM 65 CA HIS 5 6.060 -10.618 1.757 1.00 24.33 ATOM 66 HA HIS 5 5.905 -11.682 1.594 1.00 43.33 ATOM 67 CB HIS 5 7.559 -10.325 1.687 1.00 64.44 ATOM 68 HB1 HIS 5 8.021 -10.549 2.643 1.00 36.63 ATOM 69 HB2 HIS 5 7.708 -9.279 1.463 1.00 52.15 ATOM 70 CG HIS 5 8.277 -11.123 0.641 1.00 11.15 ATOM 71 ND1 HIS 5 7.791 -11.299 -0.637 1.00 14.42 ATOM 72 HD1 HIS 5 6.954 -10.933 -0.988 1.00 13.43 ATOM 73 CD2 HIS 5 9.452 -11.792 0.691 1.00 64.25 ATOM 74 HD2 HIS 5 10.110 -11.869 1.545 1.00 54.12 ATOM 75 CE1 HIS 5 8.635 -12.043 -1.328 1.00 71.03 ATOM 76 HE1 HIS 5 8.515 -12.344 -2.358 1.00 40.30 ATOM 77 NE2 HIS 5 9.652 -12.355 -0.546 1.00 22.42 ATOM 78 HE2 HIS 5 10.374 -12.975 -0.779 1.00 36.63 ATOM 79 C HIS 5 5.523 -10.252 3.137 1.00 11.04 ATOM 80 O HIS 5 5.840 -9.191 3.677 1.00 74.13 ATOM 81 N HIS 6 4.708 -11.136 3.704 1.00 73.24 ATOM 82 HN HIS 6 4.488 -11.969 3.221 1.00 36.63 ATOM 83 CA HIS 6 4.126 -10.905 5.021 1.00 31.51 ATOM 84 HA HIS 6 3.503 -10.021 4.962 1.00 71.21 ATOM 85 CB HIS 6 3.270 -12.101 5.440 1.00 14.22 ATOM 86 HB1 HIS 6 3.156 -12.111 6.518 1.00 36.63 ATOM 87 HB2 HIS 6 3.757 -13.015 5.131 1.00 65.23 ATOM 88 CG HIS 6 1.896 -12.092 4.843 1.00 20.22 ATOM 89 ND1 HIS 6 1.620 -12.578 3.583 1.00 62.24 ATOM 90 HD1 HIS 6 2.273 -12.967 2.964 1.00 73.44 ATOM 91 CD2 HIS 6 0.717 -11.654 5.342 1.00 35.23 ATOM 92 HD2 HIS 6 0.558 -11.209 6.314 1.00 14.14 ATOM 93 CE1 HIS 6 0.331 -12.438 3.331 1.00 11.14 ATOM 94 HE1 HIS 6 -0.171 -12.731 2.421 1.00 15.24 ATOM 95 NE2 HIS 6 -0.240 -11.880 4.384 1.00 53.04 ATOM 96 HE2 HIS 6 -1.204 -11.750 4.501 1.00 36.63 ATOM 97 C HIS 6 5.215 -10.656 6.060 1.00 42.12 ATOM 98 O HIS 6 5.417 -9.525 6.503 1.00 2.12 ATOM 99 N HIS 7 5.914 -11.719 6.445 1.00 62.24 ATOM 100 HN HIS 7 5.766 -12.578 5.999 1.00 36.63 ATOM 101 CA HIS 7 6.983 -11.615 7.432 1.00 61.24 ATOM 102 HA HIS 7 6.925 -10.648 7.920 1.00 73.51 ATOM 103 CB HIS 7 6.826 -12.697 8.500 1.00 20.24 ATOM 104 HB1 HIS 7 5.941 -12.484 9.083 1.00 36.63 ATOM 105 HB2 HIS 7 7.687 -12.692 9.156 1.00 0.44 ATOM 106 CG HIS 7 6.680 -14.078 7.938 1.00 11.42 ATOM 107 ND1 HIS 7 7.741 -14.946 7.790 1.00 34.23 ATOM 108 HD1 HIS 7 8.673 -14.757 8.028 1.00 11.31 ATOM 109 CD2 HIS 7 5.588 -14.739 7.488 1.00 21.33 ATOM 110 HD2 HIS 7 4.576 -14.359 7.456 1.00 61.43 ATOM 111 CE1 HIS 7 7.308 -16.082 7.272 1.00 11.21 ATOM 112 HE1 HIS 7 7.916 -16.946 7.046 1.00 43.03 ATOM 113 NE2 HIS 7 6.005 -15.982 7.080 1.00 70.33 ATOM 114 HE2 HIS 7 5.448 -16.648 6.626 1.00 36.63 ATOM 115 C HIS 7 8.351 -11.736 6.766 1.00 13.51 ATOM 116 O HIS 7 8.474 -12.290 5.674 1.00 63.24 ATOM 117 N HIS 8 9.375 -11.212 7.431 1.00 4.34 ATOM 118 HN HIS 8 9.218 -10.769 8.298 1.00 36.63 ATOM 119 CA HIS 8 10.734 -11.260 6.904 1.00 25.40 ATOM 120 HA HIS 8 10.781 -11.984 6.100 1.00 65.43 ATOM 121 CB HIS 8 11.139 -9.894 6.351 1.00 53.44 ATOM 122 HB1 HIS 8 10.587 -9.714 5.439 1.00 36.63 ATOM 123 HB2 HIS 8 12.197 -9.882 6.125 1.00 54.15 ATOM 124 CG HIS 8 10.849 -8.760 7.285 1.00 4.42 ATOM 125 ND1 HIS 8 9.725 -7.968 7.183 1.00 42.24 ATOM 126 HD1 HIS 8 9.019 -8.060 6.509 1.00 35.34 ATOM 127 CD2 HIS 8 11.545 -8.287 8.346 1.00 61.21 ATOM 128 HD2 HIS 8 12.486 -8.666 8.717 1.00 0.21 ATOM 129 CE1 HIS 8 9.743 -7.056 8.139 1.00 73.24 ATOM 130 HE1 HIS 8 8.991 -6.299 8.304 1.00 30.12 ATOM 131 NE2 HIS 8 10.836 -7.229 8.859 1.00 44.42 ATOM 132 HE2 HIS 8 11.050 -6.748 9.685 1.00 36.63 ATOM 133 C HIS 8 11.721 -11.697 7.983 1.00 34.41 ATOM 134 O HIS 8 12.751 -11.057 8.192 1.00 61.32 ATOM 135 N SER 9 11.397 -12.791 8.666 1.00 11.32 ATOM 136 HN SER 9 10.565 -13.273 8.455 1.00 36.63 ATOM 137 CA SER 9 12.252 -13.310 9.727 1.00 71.41 ATOM 138 HA SER 9 13.108 -12.654 9.846 1.00 54.44 ATOM 139 CB SER 9 11.492 -13.343 11.054 1.00 15.20 ATOM 140 HB1 SER 9 10.840 -14.207 11.090 1.00 36.63 ATOM 141 HB2 SER 9 10.895 -12.446 11.145 1.00 0.05 ATOM 142 OG SER 9 12.385 -13.398 12.153 1.00 40.34 ATOM 143 HG SER 9 12.728 -12.519 12.336 1.00 4.41 ATOM 144 C SER 9 12.756 -14.709 9.382 1.00 0.43 ATOM 145 O SER 9 11.988 -15.569 8.950 1.00 43.12 ATOM 146 N HIS 10 14.053 -14.928 9.577 1.00 35.12 ATOM 147 HN HIS 10 14.618 -14.211 9.945 1.00 36.63 ATOM 148 CA HIS 10 14.661 -16.222 9.288 1.00 52.11 ATOM 149 HA HIS 10 13.895 -16.901 8.929 1.00 0.42 ATOM 150 CB HIS 10 15.716 -16.079 8.191 1.00 70.23 ATOM 151 HB1 HIS 10 15.215 -15.916 7.248 1.00 36.63 ATOM 152 HB2 HIS 10 16.302 -16.987 8.123 1.00 51.12 ATOM 153 CG HIS 10 16.658 -14.936 8.411 1.00 42.12 ATOM 154 ND1 HIS 10 17.820 -15.049 9.144 1.00 24.12 ATOM 155 HD1 HIS 10 18.142 -15.863 9.585 1.00 65.43 ATOM 156 CD2 HIS 10 16.606 -13.651 7.988 1.00 74.33 ATOM 157 HD2 HIS 10 15.828 -13.206 7.384 1.00 55.24 ATOM 158 CE1 HIS 10 18.441 -13.883 9.164 1.00 21.11 ATOM 159 HE1 HIS 10 19.376 -13.673 9.663 1.00 62.42 ATOM 160 NE2 HIS 10 17.725 -13.018 8.469 1.00 12.22 ATOM 161 HE2 HIS 10 17.909 -12.058 8.401 1.00 36.63 ATOM 162 C HIS 10 15.292 -16.818 10.542 1.00 32.25 ATOM 163 O HIS 10 16.105 -16.175 11.205 1.00 23.21 ATOM 164 N MET 11 14.910 -18.050 10.862 1.00 23.45 ATOM 165 HN MET 11 14.245 -18.514 10.299 1.00 36.63 ATOM 166 CA MET 11 15.440 -18.733 12.038 1.00 54.15 ATOM 167 HA MET 11 16.510 -18.564 12.076 1.00 12.10 ATOM 168 CB MET 11 14.806 -18.168 13.310 1.00 21.14 ATOM 169 HB1 MET 11 15.139 -17.146 13.425 1.00 36.63 ATOM 170 HB2 MET 11 15.136 -18.736 14.160 1.00 52.23 ATOM 171 CG MET 11 13.286 -18.175 13.288 1.00 62.24 ATOM 172 HG1 MET 11 12.945 -19.200 13.290 1.00 36.63 ATOM 173 HG2 MET 11 12.941 -17.684 12.390 1.00 42.15 ATOM 174 SD MET 11 12.566 -17.326 14.706 1.00 22.51 ATOM 175 CE MET 11 10.855 -17.198 14.191 1.00 24.25 ATOM 176 HE1 MET 11 10.284 -16.698 14.960 1.00 11.01 ATOM 177 HE2 MET 11 10.453 -18.187 14.030 1.00 62.45 ATOM 178 HE3 MET 11 10.797 -16.632 13.273 1.00 21.43 ATOM 179 C MET 11 15.187 -20.235 11.953 1.00 2.04 ATOM 180 O MET 11 14.209 -20.676 11.353 1.00 74.42 ATOM 181 N ASN 12 16.077 -21.015 12.559 1.00 12.22 ATOM 182 HN ASN 12 16.836 -20.602 13.037 1.00 36.63 ATOM 183 CA ASN 12 15.950 -22.468 12.552 1.00 43.35 ATOM 184 HA ASN 12 15.595 -22.765 11.571 1.00 0.15 ATOM 185 CB ASN 12 17.309 -23.120 12.817 1.00 74.23 ATOM 186 HB1 ASN 12 17.486 -23.197 13.883 1.00 36.63 ATOM 187 HB2 ASN 12 18.086 -22.510 12.378 1.00 74.44 ATOM 188 CG ASN 12 17.412 -24.507 12.211 1.00 41.40 ATOM 189 OD1 ASN 12 16.446 -25.026 11.652 1.00 12.31 ATOM 190 ND2 ASN 12 18.588 -25.113 12.320 1.00 63.31 ATOM 191 HD21 ASN 12 19.326 -24.649 12.778 1.00 25.24 ATOM 192 HD22 ASN 12 18.676 -26.010 11.935 1.00 63.15 ATOM 193 C ASN 12 14.939 -22.931 13.595 1.00 35.12 ATOM 194 O ASN 12 14.431 -22.131 14.381 1.00 53.14 ATOM 195 N SER 13 14.651 -24.229 13.597 1.00 10.13 ATOM 196 HN SER 13 15.051 -24.816 12.922 1.00 36.63 ATOM 197 CA SER 13 13.698 -24.799 14.542 1.00 33.00 ATOM 198 HA SER 13 12.738 -24.349 14.365 1.00 42.33 ATOM 199 CB SER 13 13.576 -26.309 14.327 1.00 13.14 ATOM 200 HB1 SER 13 12.756 -26.499 13.649 1.00 36.63 ATOM 201 HB2 SER 13 13.381 -26.811 15.261 1.00 54.23 ATOM 202 OG SER 13 14.759 -26.840 13.756 1.00 32.02 ATOM 203 HG SER 13 14.571 -27.696 13.362 1.00 11.53 ATOM 204 C SER 13 14.119 -24.511 15.980 1.00 51.43 ATOM 205 O SER 13 13.355 -23.943 16.760 1.00 61.01 ATOM 206 N ALA 14 15.341 -24.906 16.322 1.00 35.34 ATOM 207 HN ALA 14 15.912 -25.343 15.647 1.00 36.63 ATOM 208 CA ALA 14 15.865 -24.689 17.665 1.00 64.33 ATOM 209 HA ALA 14 15.273 -25.278 18.344 1.00 72.23 ATOM 210 CB ALA 14 17.308 -25.164 17.750 1.00 5.23 ATOM 211 HB1 ALA 14 17.899 -24.635 17.016 1.00 10.21 ATOM 212 HB2 ALA 14 17.358 -26.221 17.547 1.00 21.32 ATOM 213 HB3 ALA 14 17.707 -24.967 18.734 1.00 15.44 ATOM 214 C ALA 14 15.765 -23.221 18.063 1.00 40.44 ATOM 215 O ALA 14 15.464 -22.899 19.211 1.00 32.15 ATOM 216 N GLU 15 16.020 -22.334 17.105 1.00 21.13 ATOM 217 HN GLU 15 16.270 -22.648 16.204 1.00 36.63 ATOM 218 CA GLU 15 15.960 -20.899 17.358 1.00 34.20 ATOM 219 HA GLU 15 16.660 -20.667 18.151 1.00 11.54 ATOM 220 CB GLU 15 16.354 -20.120 16.102 1.00 65.55 ATOM 221 HB1 GLU 15 16.154 -19.066 16.267 1.00 36.63 ATOM 222 HB2 GLU 15 15.757 -20.463 15.279 1.00 51.44 ATOM 223 CG GLU 15 17.818 -20.277 15.723 1.00 33.01 ATOM 224 HG1 GLU 15 17.933 -21.189 15.155 1.00 36.63 ATOM 225 HG2 GLU 15 18.418 -20.336 16.622 1.00 74.13 ATOM 226 CD GLU 15 18.331 -19.120 14.888 1.00 63.42 ATOM 227 OE1 GLU 15 18.692 -18.079 15.476 1.00 64.33 ATOM 228 OE2 GLU 15 18.372 -19.256 13.647 1.00 12.32 ATOM 229 C GLU 15 14.562 -20.485 17.808 1.00 12.44 ATOM 230 O GLU 15 14.392 -19.898 18.877 1.00 71.40 ATOM 231 N GLN 16 13.565 -20.793 16.985 1.00 63.32 ATOM 232 HN GLN 16 13.767 -21.265 16.142 1.00 36.63 ATOM 233 CA GLN 16 12.183 -20.452 17.298 1.00 53.44 ATOM 234 HA GLN 16 12.134 -19.390 17.499 1.00 32.01 ATOM 235 CB GLN 16 11.275 -20.767 16.107 1.00 24.53 ATOM 236 HB1 GLN 16 11.643 -20.237 15.241 1.00 36.63 ATOM 237 HB2 GLN 16 10.275 -20.418 16.332 1.00 23.21 ATOM 238 CG GLN 16 11.212 -22.248 15.767 1.00 54.43 ATOM 239 HG1 GLN 16 11.036 -22.828 16.657 1.00 36.63 ATOM 240 HG2 GLN 16 12.156 -22.531 15.338 1.00 74.43 ATOM 241 CD GLN 16 10.108 -22.572 14.779 1.00 64.30 ATOM 242 OE1 GLN 16 8.924 -22.431 15.085 1.00 40.42 ATOM 243 NE2 GLN 16 10.492 -23.011 13.586 1.00 51.44 ATOM 244 HE21 GLN 16 11.448 -23.101 13.389 1.00 40.12 ATOM 245 HE22 GLN 16 9.791 -23.232 12.938 1.00 11.33 ATOM 246 C GLN 16 11.702 -21.206 18.533 1.00 53.31 ATOM 247 O GLN 16 10.838 -20.727 19.269 1.00 24.12 ATOM 248 N THR 17 12.266 -22.389 18.755 1.00 72.01 ATOM 249 HN THR 17 12.943 -22.735 18.129 1.00 36.63 ATOM 250 CA THR 17 11.894 -23.210 19.900 1.00 74.32 ATOM 251 HA THR 17 10.816 -23.324 19.900 1.00 52.15 ATOM 252 CB THR 17 12.523 -24.614 19.813 1.00 40.51 ATOM 253 HB THR 17 13.598 -24.513 19.790 1.00 44.54 ATOM 254 OG1 THR 17 12.095 -25.269 18.614 1.00 60.01 ATOM 255 HG1 THR 17 11.133 -25.359 18.593 1.00 64.33 ATOM 256 CG2 THR 17 12.139 -25.454 21.021 1.00 25.42 ATOM 257 HG21 THR 17 12.399 -26.479 20.824 1.00 5.13 ATOM 258 HG22 THR 17 11.074 -25.385 21.201 1.00 23.01 ATOM 259 HG23 THR 17 12.678 -25.114 21.893 1.00 70.34 ATOM 260 C THR 17 12.320 -22.555 21.208 1.00 11.24 ATOM 261 O THR 17 11.532 -22.453 22.149 1.00 22.31 ATOM 262 N VAL 18 13.571 -22.110 21.262 1.00 25.10 ATOM 263 HN VAL 18 14.146 -22.205 20.467 1.00 36.63 ATOM 264 CA VAL 18 14.102 -21.462 22.455 1.00 21.15 ATOM 265 HA VAL 18 14.121 -22.191 23.254 1.00 14.42 ATOM 266 CB VAL 18 15.537 -20.951 22.226 1.00 71.31 ATOM 267 HB VAL 18 15.522 -20.232 21.418 1.00 31.50 ATOM 268 CG1 VAL 18 16.062 -20.255 23.472 1.00 14.41 ATOM 269 HG11 VAL 18 17.122 -20.059 23.362 1.00 40.14 ATOM 270 HG12 VAL 18 15.905 -20.882 24.338 1.00 52.34 ATOM 271 HG13 VAL 18 15.548 -19.316 23.611 1.00 10.14 ATOM 272 CG2 VAL 18 16.451 -22.097 21.821 1.00 65.42 ATOM 273 HG21 VAL 18 17.031 -22.434 22.673 1.00 13.33 ATOM 274 HG22 VAL 18 17.125 -21.756 21.052 1.00 20.42 ATOM 275 HG23 VAL 18 15.887 -22.918 21.446 1.00 50.41 ATOM 276 C VAL 18 13.221 -20.294 22.884 1.00 21.13 ATOM 277 O VAL 18 12.723 -20.258 24.010 1.00 54.31 ATOM 278 N THR 19 13.032 -19.339 21.979 1.00 11.11 ATOM 279 HN THR 19 13.455 -19.426 21.091 1.00 36.63 ATOM 280 CA THR 19 12.211 -18.168 22.263 1.00 25.42 ATOM 281 HA THR 19 12.621 -17.672 23.124 1.00 11.11 ATOM 282 CB THR 19 12.219 -17.177 21.084 1.00 62.40 ATOM 283 HB THR 19 11.744 -17.643 20.230 1.00 31.44 ATOM 284 OG1 THR 19 13.567 -16.841 20.736 1.00 53.41 ATOM 285 HG1 THR 19 13.916 -17.493 20.123 1.00 41.11 ATOM 286 CG2 THR 19 11.449 -15.913 21.435 1.00 45.03 ATOM 287 HG21 THR 19 11.791 -15.524 22.385 1.00 74.13 ATOM 288 HG22 THR 19 10.393 -16.130 21.492 1.00 1.35 ATOM 289 HG23 THR 19 11.617 -15.172 20.668 1.00 24.31 ATOM 290 C THR 19 10.772 -18.567 22.568 1.00 50.20 ATOM 291 O THR 19 10.141 -18.010 23.466 1.00 0.32 ATOM 292 N TRP 20 10.259 -19.534 21.816 1.00 50.52 ATOM 293 HN TRP 20 10.805 -19.933 21.097 1.00 36.63 ATOM 294 CA TRP 20 8.893 -20.007 22.007 1.00 53.21 ATOM 295 HA TRP 20 8.225 -19.206 21.736 1.00 13.21 ATOM 296 CB TRP 20 8.613 -21.203 21.096 1.00 43.05 ATOM 297 HB1 TRP 20 9.361 -21.960 21.258 1.00 36.63 ATOM 298 HB2 TRP 20 8.651 -20.875 20.070 1.00 72.24 ATOM 299 CG TRP 20 7.263 -21.815 21.316 1.00 51.13 ATOM 300 CD1 TRP 20 6.070 -21.157 21.404 1.00 15.24 ATOM 301 HD1 TRP 20 5.958 -20.086 21.323 1.00 22.32 ATOM 302 CD2 TRP 20 6.969 -23.207 21.477 1.00 52.22 ATOM 303 NE1 TRP 20 5.051 -22.056 21.611 1.00 1.21 ATOM 304 HE1 TRP 20 4.103 -21.828 21.710 1.00 24.21 ATOM 305 CE2 TRP 20 5.576 -23.320 21.658 1.00 24.04 ATOM 306 CE3 TRP 20 7.745 -24.368 21.483 1.00 24.52 ATOM 307 HE3 TRP 20 8.816 -24.325 21.347 1.00 60.35 ATOM 308 CZ2 TRP 20 4.948 -24.548 21.845 1.00 31.22 ATOM 309 HZ2 TRP 20 3.880 -24.628 21.983 1.00 15.52 ATOM 310 CZ3 TRP 20 7.120 -25.587 21.669 1.00 1.31 ATOM 311 HZ3 TRP 20 7.705 -26.495 21.678 1.00 62.34 ATOM 312 CH2 TRP 20 5.733 -25.669 21.847 1.00 33.32 ATOM 313 HH2 TRP 20 5.299 -26.634 21.990 1.00 0.42 ATOM 314 C TRP 20 8.649 -20.392 23.462 1.00 74.43 ATOM 315 O TRP 20 7.581 -20.124 24.015 1.00 44.31 ATOM 316 N LEU 21 9.643 -21.023 24.077 1.00 71.13 ATOM 317 HN LEU 21 10.475 -21.219 23.584 1.00 36.63 ATOM 318 CA LEU 21 9.536 -21.446 25.469 1.00 51.40 ATOM 319 HA LEU 21 8.578 -21.923 25.609 1.00 71.44 ATOM 320 CB LEU 21 10.647 -22.441 25.807 1.00 33.41 ATOM 321 HB1 LEU 21 10.602 -22.648 26.869 1.00 36.63 ATOM 322 HB2 LEU 21 11.596 -21.969 25.590 1.00 4.22 ATOM 323 CG LEU 21 10.595 -23.780 25.071 1.00 73.44 ATOM 324 HG LEU 21 10.650 -23.604 24.012 1.00 54.12 ATOM 325 CD1 LEU 21 11.777 -24.652 25.464 1.00 62.12 ATOM 326 HD11 LEU 21 12.699 -24.140 25.227 1.00 11.33 ATOM 327 HD12 LEU 21 11.738 -25.584 24.917 1.00 11.43 ATOM 328 HD13 LEU 21 11.743 -24.857 26.525 1.00 32.22 ATOM 329 CD2 LEU 21 9.283 -24.497 25.358 1.00 41.42 ATOM 330 HD21 LEU 21 8.458 -23.924 24.964 1.00 22.12 ATOM 331 HD22 LEU 21 9.159 -24.625 26.424 1.00 45.44 ATOM 332 HD23 LEU 21 9.299 -25.466 24.881 1.00 62.11 ATOM 333 C LEU 21 9.609 -20.247 26.409 1.00 13.40 ATOM 334 O LEU 21 9.048 -20.270 27.505 1.00 10.01 ATOM 335 N ILE 22 10.301 -19.200 25.972 1.00 11.01 ATOM 336 HN ILE 22 10.752 -19.242 25.106 1.00 36.63 ATOM 337 CA ILE 22 10.444 -17.991 26.773 1.00 13.33 ATOM 338 HA ILE 22 10.646 -18.279 27.794 1.00 35.32 ATOM 339 CB ILE 22 11.613 -17.120 26.276 1.00 73.45 ATOM 340 HB ILE 22 11.403 -16.822 25.257 1.00 54.33 ATOM 341 CG1 ILE 22 12.919 -17.916 26.308 1.00 43.11 ATOM 342 HG11 ILE 22 12.767 -18.893 25.888 1.00 36.63 ATOM 343 HG12 ILE 22 13.249 -18.028 27.332 1.00 31.02 ATOM 344 CG2 ILE 22 11.732 -15.861 27.120 1.00 2.41 ATOM 345 HG21 ILE 22 12.620 -15.313 26.836 1.00 55.15 ATOM 346 HG22 ILE 22 11.799 -16.125 28.166 1.00 71.43 ATOM 347 HG23 ILE 22 10.871 -15.229 26.964 1.00 2.51 ATOM 348 CD1 ILE 22 14.043 -17.263 25.534 1.00 63.52 ATOM 349 HD11 ILE 22 13.700 -16.966 24.560 1.00 3.13 ATOM 350 HD12 ILE 22 14.859 -17.962 25.428 1.00 12.20 ATOM 351 HD13 ILE 22 14.385 -16.397 26.068 1.00 15.44 ATOM 352 C ILE 22 9.163 -17.163 26.752 1.00 2.20 ATOM 353 O ILE 22 8.666 -16.740 27.796 1.00 33.44 ATOM 354 N THR 23 8.632 -16.935 25.555 1.00 71.12 ATOM 355 HN THR 23 9.100 -17.269 24.758 1.00 36.63 ATOM 356 CA THR 23 7.409 -16.159 25.397 1.00 52.44 ATOM 357 HA THR 23 7.585 -15.166 25.790 1.00 25.14 ATOM 358 CB THR 23 7.017 -16.024 23.913 1.00 40.40 ATOM 359 HB THR 23 7.798 -15.483 23.398 1.00 15.42 ATOM 360 OG1 THR 23 5.788 -15.298 23.795 1.00 44.31 ATOM 361 HG1 THR 23 5.962 -14.356 23.864 1.00 60.13 ATOM 362 CG2 THR 23 6.868 -17.392 23.266 1.00 34.20 ATOM 363 HG21 THR 23 6.610 -17.262 22.225 1.00 40.31 ATOM 364 HG22 THR 23 6.092 -17.959 23.750 1.00 44.34 ATOM 365 HG23 THR 23 7.789 -17.908 23.331 1.00 31.45 ATOM 366 C THR 23 6.252 -16.793 26.160 1.00 20.21 ATOM 367 O THR 23 5.387 -16.095 26.691 1.00 43.54 ATOM 368 N LEU 24 6.242 -18.120 26.213 1.00 32.51 ATOM 369 HN LEU 24 6.954 -18.633 25.763 1.00 36.63 ATOM 370 CA LEU 24 5.190 -18.850 26.913 1.00 24.15 ATOM 371 HA LEU 24 4.232 -18.448 26.604 1.00 1.43 ATOM 372 CB LEU 24 5.245 -20.335 26.551 1.00 31.31 ATOM 373 HB1 LEU 24 4.777 -20.909 27.346 1.00 36.63 ATOM 374 HB2 LEU 24 6.291 -20.620 26.514 1.00 50.11 ATOM 375 CG LEU 24 4.587 -20.728 25.228 1.00 51.11 ATOM 376 HG LEU 24 4.761 -19.952 24.494 1.00 35.52 ATOM 377 CD1 LEU 24 5.194 -22.015 24.691 1.00 42.42 ATOM 378 HD11 LEU 24 4.449 -22.604 24.170 1.00 21.23 ATOM 379 HD12 LEU 24 5.593 -22.583 25.507 1.00 50.34 ATOM 380 HD13 LEU 24 5.989 -21.780 24.014 1.00 40.21 ATOM 381 CD2 LEU 24 3.083 -20.879 25.404 1.00 11.23 ATOM 382 HD21 LEU 24 2.630 -21.134 24.456 1.00 20.50 ATOM 383 HD22 LEU 24 2.664 -19.947 25.758 1.00 44.24 ATOM 384 HD23 LEU 24 2.876 -21.661 26.122 1.00 74.41 ATOM 385 C LEU 24 5.321 -18.678 28.423 1.00 24.24 ATOM 386 O LEU 24 4.341 -18.786 29.158 1.00 15.11 ATOM 387 N GLY 25 6.541 -18.408 28.880 1.00 53.03 ATOM 388 HN GLY 25 7.302 -18.363 28.271 1.00 36.63 ATOM 389 CA GLY 25 6.777 -18.223 30.300 1.00 63.24 ATOM 390 HA1 GLY 25 5.924 -17.735 30.757 1.00 36.63 ATOM 391 HA2 GLY 25 7.642 -17.588 30.423 1.00 50.42 ATOM 392 C GLY 25 7.036 -19.532 31.019 1.00 14.15 ATOM 393 O GLY 25 6.618 -19.713 32.163 1.00 14.12 ATOM 394 N VAL 26 7.726 -20.449 30.348 1.00 15.32 ATOM 395 HN VAL 26 8.045 -20.245 29.445 1.00 36.63 ATOM 396 CA VAL 26 8.039 -21.748 30.931 1.00 75.13 ATOM 397 HA VAL 26 7.603 -21.816 31.923 1.00 10.12 ATOM 398 CB VAL 26 7.469 -22.897 30.078 1.00 72.40 ATOM 399 HB VAL 26 7.892 -23.834 30.418 1.00 62.20 ATOM 400 CG1 VAL 26 5.960 -22.988 30.244 1.00 34.42 ATOM 401 HG11 VAL 26 5.721 -23.174 31.281 1.00 61.04 ATOM 402 HG12 VAL 26 5.576 -23.792 29.643 1.00 75.24 ATOM 403 HG13 VAL 26 5.507 -22.058 29.935 1.00 22.32 ATOM 404 CG2 VAL 26 7.842 -22.710 28.615 1.00 21.51 ATOM 405 HG21 VAL 26 7.539 -23.586 28.059 1.00 54.11 ATOM 406 HG22 VAL 26 8.909 -22.582 28.512 1.00 52.11 ATOM 407 HG23 VAL 26 7.333 -21.846 28.213 1.00 74.44 ATOM 408 C VAL 26 9.544 -21.937 31.077 1.00 43.52 ATOM 409 O VAL 26 10.007 -22.672 31.950 1.00 3.52 ATOM 410 N LEU 27 10.305 -21.268 30.217 1.00 53.10 ATOM 411 HN LEU 27 9.902 -20.722 29.513 1.00 36.63 ATOM 412 CA LEU 27 11.760 -21.361 30.250 1.00 2.50 ATOM 413 HA LEU 27 12.059 -21.892 31.147 1.00 41.54 ATOM 414 CB LEU 27 12.269 -22.143 29.038 1.00 53.53 ATOM 415 HB1 LEU 27 11.840 -21.683 28.163 1.00 36.63 ATOM 416 HB2 LEU 27 11.903 -23.151 29.105 1.00 15.20 ATOM 417 CG LEU 27 13.786 -22.177 28.849 1.00 12.23 ATOM 418 HG LEU 27 14.156 -21.175 28.732 1.00 35.20 ATOM 419 CD1 LEU 27 14.461 -22.789 30.067 1.00 61.14 ATOM 420 HD11 LEU 27 14.122 -23.808 30.196 1.00 5.11 ATOM 421 HD12 LEU 27 14.228 -22.226 30.948 1.00 21.22 ATOM 422 HD13 LEU 27 15.532 -22.789 29.923 1.00 30.32 ATOM 423 CD2 LEU 27 14.150 -22.950 27.590 1.00 15.01 ATOM 424 HD21 LEU 27 15.223 -22.945 27.458 1.00 54.25 ATOM 425 HD22 LEU 27 13.685 -22.484 26.732 1.00 0.53 ATOM 426 HD23 LEU 27 13.804 -23.971 27.675 1.00 5.35 ATOM 427 C LEU 27 12.394 -19.973 30.277 1.00 73.21 ATOM 428 O LEU 27 11.986 -19.080 29.535 1.00 71.41 ATOM 429 N GLU 28 13.394 -19.802 31.136 1.00 51.54 ATOM 430 HN GLU 28 13.658 -20.542 31.727 1.00 36.63 ATOM 431 CA GLU 28 14.084 -18.523 31.257 1.00 3.12 ATOM 432 HA GLU 28 13.343 -17.756 31.443 1.00 14.01 ATOM 433 CB GLU 28 15.061 -18.556 32.434 1.00 4.43 ATOM 434 HB1 GLU 28 14.549 -18.968 33.294 1.00 36.63 ATOM 435 HB2 GLU 28 15.366 -17.544 32.659 1.00 43.44 ATOM 436 CG GLU 28 16.309 -19.381 32.167 1.00 32.01 ATOM 437 HG1 GLU 28 16.949 -18.840 31.485 1.00 36.63 ATOM 438 HG2 GLU 28 16.024 -20.324 31.721 1.00 3.11 ATOM 439 CD GLU 28 17.099 -19.670 33.429 1.00 55.20 ATOM 440 OE1 GLU 28 16.851 -20.722 34.055 1.00 11.43 ATOM 441 OE2 GLU 28 17.963 -18.845 33.790 1.00 3.23 ATOM 442 C GLU 28 14.832 -18.184 29.971 1.00 52.32 ATOM 443 O GLU 28 15.131 -19.064 29.163 1.00 15.54 ATOM 444 N SER 29 15.130 -16.901 29.787 1.00 22.53 ATOM 445 HN SER 29 14.880 -16.241 30.478 1.00 36.63 ATOM 446 CA SER 29 15.839 -16.444 28.598 1.00 73.24 ATOM 447 HA SER 29 15.569 -17.095 27.780 1.00 51.04 ATOM 448 CB SER 29 15.418 -15.016 28.245 1.00 24.03 ATOM 449 HB1 SER 29 14.508 -14.761 28.771 1.00 36.63 ATOM 450 HB2 SER 29 15.243 -14.937 27.187 1.00 72.43 ATOM 451 OG SER 29 16.422 -14.084 28.611 1.00 74.33 ATOM 452 HG SER 29 17.007 -13.925 27.865 1.00 12.42 ATOM 453 C SER 29 17.349 -16.505 28.808 1.00 53.14 ATOM 454 O SER 29 17.843 -16.551 29.934 1.00 2.12 ATOM 455 N PRO 30 18.100 -16.505 27.697 1.00 61.24 ATOM 456 CA PRO 30 19.565 -16.559 27.731 1.00 34.45 ATOM 457 HA PRO 30 19.918 -17.394 28.319 1.00 52.14 ATOM 458 CB PRO 30 19.947 -16.767 26.264 1.00 50.11 ATOM 459 HB1 PRO 30 20.048 -17.823 26.080 1.00 36.63 ATOM 460 HB2 PRO 30 20.877 -16.270 26.021 1.00 74.21 ATOM 461 CG PRO 30 18.807 -16.199 25.491 1.00 34.24 ATOM 462 HG1 PRO 30 18.719 -16.691 24.537 1.00 36.63 ATOM 463 HG2 PRO 30 18.952 -15.138 25.353 1.00 62.12 ATOM 464 CD PRO 30 17.578 -16.452 26.321 1.00 60.13 ATOM 465 HD1 PRO 30 17.121 -17.390 26.043 1.00 36.63 ATOM 466 HD2 PRO 30 16.889 -15.643 26.187 1.00 74.31 ATOM 467 C PRO 30 20.180 -15.270 28.265 1.00 31.31 ATOM 468 O PRO 30 19.471 -14.379 28.734 1.00 62.23 ATOM 469 N LYS 31 21.503 -15.177 28.191 1.00 42.32 ATOM 470 HN LYS 31 22.025 -15.935 27.843 1.00 36.63 ATOM 471 CA LYS 31 22.215 -13.996 28.665 1.00 40.34 ATOM 472 HA LYS 31 21.509 -13.309 29.118 1.00 4.31 ATOM 473 CB LYS 31 23.263 -14.391 29.707 1.00 2.23 ATOM 474 HB1 LYS 31 24.143 -13.764 29.605 1.00 36.63 ATOM 475 HB2 LYS 31 23.559 -15.418 29.535 1.00 14.13 ATOM 476 CG LYS 31 22.767 -14.286 31.139 1.00 52.41 ATOM 477 HG1 LYS 31 23.379 -14.921 31.767 1.00 36.63 ATOM 478 HG2 LYS 31 21.740 -14.627 31.187 1.00 62.24 ATOM 479 CD LYS 31 22.829 -12.855 31.647 1.00 54.22 ATOM 480 HD1 LYS 31 22.111 -12.743 32.446 1.00 36.63 ATOM 481 HD2 LYS 31 22.582 -12.167 30.848 1.00 4.13 ATOM 482 CE LYS 31 24.210 -12.514 32.185 1.00 53.41 ATOM 483 HE1 LYS 31 24.893 -12.419 31.354 1.00 36.63 ATOM 484 HE2 LYS 31 24.546 -13.309 32.838 1.00 72.41 ATOM 485 NZ LYS 31 24.206 -11.239 32.955 1.00 34.11 ATOM 486 HZ1 LYS 31 23.900 -10.450 32.348 1.00 22.10 ATOM 487 HZ2 LYS 31 25.163 -11.035 33.308 1.00 34.30 ATOM 488 HZ3 LYS 31 23.559 -11.309 33.769 1.00 71.20 ATOM 489 C LYS 31 22.886 -13.264 27.507 1.00 55.44 ATOM 490 O LYS 31 23.063 -12.046 27.548 1.00 45.02 ATOM 491 N LYS 32 23.255 -14.013 26.473 1.00 15.22 ATOM 492 HN LYS 32 23.134 -14.986 26.499 1.00 36.63 ATOM 493 CA LYS 32 23.903 -13.436 25.302 1.00 51.53 ATOM 494 HA LYS 32 23.572 -12.411 25.186 1.00 63.43 ATOM 495 CB LYS 32 25.423 -13.445 25.478 1.00 10.32 ATOM 496 HB1 LYS 32 25.666 -12.819 26.325 1.00 36.63 ATOM 497 HB2 LYS 32 25.890 -13.023 24.600 1.00 30.43 ATOM 498 CG LYS 32 25.996 -14.826 25.745 1.00 10.10 ATOM 499 HG1 LYS 32 25.379 -15.580 25.274 1.00 36.63 ATOM 500 HG2 LYS 32 26.002 -15.002 26.808 1.00 2.01 ATOM 501 CD LYS 32 27.406 -14.961 25.194 1.00 54.21 ATOM 502 HD1 LYS 32 27.451 -14.542 24.197 1.00 36.63 ATOM 503 HD2 LYS 32 27.660 -16.010 25.152 1.00 73.14 ATOM 504 CE LYS 32 28.420 -14.252 26.078 1.00 20.34 ATOM 505 HE1 LYS 32 28.126 -13.218 26.197 1.00 36.63 ATOM 506 HE2 LYS 32 29.386 -14.295 25.597 1.00 3.32 ATOM 507 NZ LYS 32 28.524 -14.887 27.422 1.00 53.14 ATOM 508 HZ1 LYS 32 29.346 -14.502 27.930 1.00 74.15 ATOM 509 HZ2 LYS 32 28.643 -15.919 27.336 1.00 61.43 ATOM 510 HZ3 LYS 32 27.671 -14.692 27.981 1.00 42.22 ATOM 511 C LYS 32 23.523 -14.200 24.038 1.00 54.35 ATOM 512 O LYS 32 22.706 -15.121 24.078 1.00 43.13 ATOM 513 N THR 33 24.121 -13.813 22.915 1.00 54.41 ATOM 514 HN THR 33 24.739 -13.047 22.929 1.00 36.63 ATOM 515 CA THR 33 23.845 -14.461 21.639 1.00 31.23 ATOM 516 HA THR 33 22.794 -14.306 21.416 1.00 51.13 ATOM 517 CB THR 33 24.683 -13.845 20.503 1.00 31.21 ATOM 518 HB THR 33 25.694 -14.230 20.554 1.00 33.42 ATOM 519 OG1 THR 33 24.734 -12.422 20.648 1.00 14.52 ATOM 520 HG1 THR 33 23.847 -12.039 20.621 1.00 35.44 ATOM 521 CG2 THR 33 24.098 -14.201 19.145 1.00 73.12 ATOM 522 HG21 THR 33 24.093 -15.275 19.022 1.00 1.22 ATOM 523 HG22 THR 33 24.700 -13.754 18.368 1.00 3.10 ATOM 524 HG23 THR 33 23.087 -13.826 19.076 1.00 51.04 ATOM 525 C THR 33 24.128 -15.957 21.711 1.00 61.34 ATOM 526 O THR 33 25.095 -16.386 22.341 1.00 44.13 ATOM 527 N ILE 34 23.280 -16.747 21.061 1.00 72.01 ATOM 528 HN ILE 34 22.521 -16.355 20.572 1.00 36.63 ATOM 529 CA ILE 34 23.441 -18.196 21.050 1.00 40.42 ATOM 530 HA ILE 34 24.298 -18.462 21.664 1.00 42.30 ATOM 531 CB ILE 34 22.209 -18.904 21.644 1.00 3.33 ATOM 532 HB ILE 34 21.357 -18.706 21.007 1.00 5.53 ATOM 533 CG1 ILE 34 21.913 -18.368 23.046 1.00 0.34 ATOM 534 HG11 ILE 34 21.753 -17.300 22.996 1.00 36.63 ATOM 535 HG12 ILE 34 22.756 -18.569 23.693 1.00 25.24 ATOM 536 CG2 ILE 34 22.431 -20.408 21.682 1.00 35.54 ATOM 537 HG21 ILE 34 23.298 -20.631 22.289 1.00 3.25 ATOM 538 HG22 ILE 34 22.588 -20.786 20.684 1.00 64.13 ATOM 539 HG23 ILE 34 21.571 -20.905 22.100 1.00 23.52 ATOM 540 CD1 ILE 34 20.686 -18.983 23.682 1.00 71.02 ATOM 541 HD11 ILE 34 20.016 -18.199 23.975 1.00 21.10 ATOM 542 HD12 ILE 34 20.977 -19.547 24.555 1.00 43.22 ATOM 543 HD13 ILE 34 20.173 -19.637 22.989 1.00 12.21 ATOM 544 C ILE 34 23.676 -18.712 19.634 1.00 2.33 ATOM 545 O ILE 34 22.770 -18.703 18.801 1.00 62.40 ATOM 546 N SER 35 24.898 -19.162 19.370 1.00 65.20 ATOM 547 HN SER 35 25.581 -19.160 20.082 1.00 36.63 ATOM 548 CA SER 35 25.254 -19.681 18.054 1.00 1.14 ATOM 549 HA SER 35 24.708 -19.124 17.301 1.00 22.41 ATOM 550 CB SER 35 26.752 -19.500 17.799 1.00 14.21 ATOM 551 HB1 SER 35 27.102 -20.240 17.089 1.00 36.63 ATOM 552 HB2 SER 35 27.297 -19.614 18.726 1.00 31.13 ATOM 553 OG SER 35 27.026 -18.216 17.266 1.00 5.33 ATOM 554 HG SER 35 27.043 -17.568 17.975 1.00 14.20 ATOM 555 C SER 35 24.881 -21.155 17.933 1.00 74.14 ATOM 556 O SER 35 24.619 -21.652 16.837 1.00 61.20 ATOM 557 N ASP 36 24.858 -21.849 19.065 1.00 11.54 ATOM 558 HN ASP 36 25.087 -21.417 19.918 1.00 36.63 ATOM 559 CA ASP 36 24.516 -23.266 19.088 1.00 54.14 ATOM 560 HA ASP 36 24.365 -23.613 18.073 1.00 34.43 ATOM 561 CB ASP 36 25.660 -24.079 19.694 1.00 63.55 ATOM 562 HB1 ASP 36 25.718 -23.893 20.759 1.00 36.63 ATOM 563 HB2 ASP 36 26.588 -23.772 19.233 1.00 10.23 ATOM 564 CG ASP 36 25.494 -25.570 19.469 1.00 14.52 ATOM 565 OD1 ASP 36 25.651 -26.017 18.314 1.00 63.31 ATOM 566 OD2 ASP 36 25.206 -26.288 20.449 1.00 23.10 ATOM 567 C ASP 36 23.233 -23.503 19.878 1.00 14.20 ATOM 568 O ASP 36 23.249 -24.023 20.994 1.00 71.23 ATOM 569 N PRO 37 22.093 -23.112 19.288 1.00 1.54 ATOM 570 CA PRO 37 20.780 -23.271 19.920 1.00 11.30 ATOM 571 HA PRO 37 20.760 -22.834 20.908 1.00 60.44 ATOM 572 CB PRO 37 19.844 -22.490 18.994 1.00 50.10 ATOM 573 HB1 PRO 37 19.738 -21.481 19.363 1.00 36.63 ATOM 574 HB2 PRO 37 18.868 -22.959 18.945 1.00 34.42 ATOM 575 CG PRO 37 20.524 -22.504 17.669 1.00 71.35 ATOM 576 HG1 PRO 37 20.242 -21.629 17.102 1.00 36.63 ATOM 577 HG2 PRO 37 20.260 -23.402 17.130 1.00 1.22 ATOM 578 CD PRO 37 21.999 -22.484 17.960 1.00 60.14 ATOM 579 HD1 PRO 37 22.343 -21.466 17.990 1.00 36.63 ATOM 580 HD2 PRO 37 22.534 -23.050 17.213 1.00 42.31 ATOM 581 C PRO 37 20.350 -24.731 20.004 1.00 70.35 ATOM 582 O PRO 37 19.464 -25.083 20.781 1.00 13.24 ATOM 583 N GLU 38 20.984 -25.577 19.198 1.00 62.24 ATOM 584 HN GLU 38 21.665 -25.245 18.573 1.00 36.63 ATOM 585 CA GLU 38 20.666 -27.000 19.181 1.00 34.15 ATOM 586 HA GLU 38 19.594 -27.106 19.071 1.00 72.33 ATOM 587 CB GLU 38 21.357 -27.687 18.002 1.00 51.23 ATOM 588 HB1 GLU 38 21.266 -28.762 18.115 1.00 36.63 ATOM 589 HB2 GLU 38 22.404 -27.422 18.010 1.00 63.44 ATOM 590 CG GLU 38 20.779 -27.303 16.650 1.00 12.21 ATOM 591 HG1 GLU 38 20.981 -26.257 16.471 1.00 36.63 ATOM 592 HG2 GLU 38 19.710 -27.464 16.667 1.00 1.10 ATOM 593 CD GLU 38 21.367 -28.115 15.512 1.00 14.42 ATOM 594 OE1 GLU 38 21.191 -29.351 15.514 1.00 30.20 ATOM 595 OE2 GLU 38 22.002 -27.514 14.621 1.00 60.24 ATOM 596 C GLU 38 21.085 -27.666 20.489 1.00 71.32 ATOM 597 O GLU 38 20.400 -28.556 20.993 1.00 41.55 ATOM 598 N GLY 39 22.217 -27.229 21.033 1.00 73.12 ATOM 599 HN GLY 39 22.745 -26.528 20.591 1.00 36.63 ATOM 600 CA GLY 39 22.709 -27.794 22.276 1.00 51.23 ATOM 601 HA1 GLY 39 23.780 -27.662 22.311 1.00 36.63 ATOM 602 HA2 GLY 39 22.492 -28.855 22.311 1.00 33.13 ATOM 603 C GLY 39 22.103 -27.128 23.495 1.00 35.32 ATOM 604 O GLY 39 21.826 -27.787 24.498 1.00 73.12 ATOM 605 N PHE 40 21.897 -25.818 23.411 1.00 33.14 ATOM 606 HN PHE 40 22.149 -25.337 22.587 1.00 36.63 ATOM 607 CA PHE 40 21.322 -25.062 24.518 1.00 73.20 ATOM 608 HA PHE 40 21.963 -25.187 25.380 1.00 63.23 ATOM 609 CB PHE 40 21.254 -23.575 24.167 1.00 44.53 ATOM 610 HB1 PHE 40 20.767 -23.466 23.206 1.00 36.63 ATOM 611 HB2 PHE 40 22.263 -23.189 24.090 1.00 71.40 ATOM 612 CG PHE 40 20.507 -22.753 25.178 1.00 70.11 ATOM 613 CD1 PHE 40 21.149 -22.266 26.305 1.00 35.44 ATOM 614 HD1 PHE 40 22.198 -22.480 26.457 1.00 4.23 ATOM 615 CD2 PHE 40 19.163 -22.468 25.001 1.00 35.12 ATOM 616 HD2 PHE 40 18.648 -22.841 24.126 1.00 13.43 ATOM 617 CE1 PHE 40 20.464 -21.510 27.238 1.00 52.23 ATOM 618 HE1 PHE 40 20.976 -21.137 28.113 1.00 21.34 ATOM 619 CE2 PHE 40 18.473 -21.712 25.930 1.00 52.22 ATOM 620 HE2 PHE 40 17.426 -21.498 25.782 1.00 41.01 ATOM 621 CZ PHE 40 19.124 -21.233 27.050 1.00 32.10 ATOM 622 HZ PHE 40 18.586 -20.643 27.777 1.00 41.33 ATOM 623 C PHE 40 19.928 -25.578 24.863 1.00 31.50 ATOM 624 O PHE 40 19.472 -25.456 26.001 1.00 51.13 ATOM 625 N LEU 41 19.256 -26.156 23.873 1.00 13.42 ATOM 626 HN LEU 41 19.649 -26.205 22.973 1.00 36.63 ATOM 627 CA LEU 41 17.913 -26.691 24.070 1.00 11.33 ATOM 628 HA LEU 41 17.387 -26.037 24.741 1.00 1.33 ATOM 629 CB LEU 41 17.166 -26.752 22.737 1.00 62.23 ATOM 630 HB1 LEU 41 16.392 -27.512 22.796 1.00 36.63 ATOM 631 HB2 LEU 41 17.878 -27.056 21.982 1.00 73.32 ATOM 632 CG LEU 41 16.514 -25.450 22.272 1.00 13.41 ATOM 633 HG LEU 41 17.259 -24.670 22.264 1.00 72.04 ATOM 634 CD1 LEU 41 15.972 -25.599 20.859 1.00 13.40 ATOM 635 HD11 LEU 41 15.652 -24.654 20.493 1.00 34.32 ATOM 636 HD12 LEU 41 15.134 -26.284 20.861 1.00 30.41 ATOM 637 HD13 LEU 41 16.743 -25.993 20.222 1.00 1.22 ATOM 638 CD2 LEU 41 15.405 -25.037 23.230 1.00 64.22 ATOM 639 HD21 LEU 41 15.829 -24.790 24.190 1.00 52.34 ATOM 640 HD22 LEU 41 14.701 -25.850 23.347 1.00 42.32 ATOM 641 HD23 LEU 41 14.885 -24.175 22.841 1.00 34.43 ATOM 642 C LEU 41 17.967 -28.079 24.700 1.00 10.23 ATOM 643 O LEU 41 17.271 -28.354 25.677 1.00 25.25 ATOM 644 N GLN 42 18.799 -28.948 24.135 1.00 10.40 ATOM 645 HN GLN 42 19.325 -28.671 23.347 1.00 36.63 ATOM 646 CA GLN 42 18.945 -30.307 24.643 1.00 54.41 ATOM 647 HA GLN 42 18.013 -30.827 24.475 1.00 54.40 ATOM 648 CB GLN 42 20.061 -31.037 23.894 1.00 11.42 ATOM 649 HB1 GLN 42 20.981 -30.476 23.996 1.00 36.63 ATOM 650 HB2 GLN 42 19.796 -31.080 22.847 1.00 12.04 ATOM 651 CG GLN 42 20.289 -32.459 24.379 1.00 60.35 ATOM 652 HG1 GLN 42 20.722 -33.026 23.567 1.00 36.63 ATOM 653 HG2 GLN 42 19.342 -32.902 24.648 1.00 33.11 ATOM 654 CD GLN 42 21.234 -32.529 25.562 1.00 42.43 ATOM 655 OE1 GLN 42 22.329 -31.967 25.530 1.00 45.22 ATOM 656 NE2 GLN 42 20.815 -33.220 26.615 1.00 10.00 ATOM 657 HE21 GLN 42 19.930 -33.649 26.588 1.00 20.10 ATOM 658 HE22 GLN 42 21.413 -33.276 27.389 1.00 11.12 ATOM 659 C GLN 42 19.240 -30.300 26.139 1.00 13.22 ATOM 660 O GLN 42 18.602 -31.016 26.911 1.00 51.53 ATOM 661 N ALA 43 20.211 -29.487 26.542 1.00 13.31 ATOM 662 HN ALA 43 20.688 -28.936 25.876 1.00 36.63 ATOM 663 CA ALA 43 20.589 -29.386 27.946 1.00 1.31 ATOM 664 HA ALA 43 20.784 -30.384 28.320 1.00 30.00 ATOM 665 CB ALA 43 21.869 -28.576 28.091 1.00 63.42 ATOM 666 HB1 ALA 43 21.702 -27.565 27.745 1.00 74.30 ATOM 667 HB2 ALA 43 22.649 -29.032 27.499 1.00 14.50 ATOM 668 HB3 ALA 43 22.172 -28.556 29.129 1.00 52.52 ATOM 669 C ALA 43 19.470 -28.761 28.773 1.00 60.43 ATOM 670 O ALA 43 19.143 -29.244 29.857 1.00 1.30 ATOM 671 N SER 44 18.887 -27.686 28.254 1.00 52.42 ATOM 672 HN SER 44 19.195 -27.341 27.382 1.00 36.63 ATOM 673 CA SER 44 17.807 -26.992 28.947 1.00 70.44 ATOM 674 HA SER 44 18.175 -26.676 29.914 1.00 63.23 ATOM 675 CB SER 44 17.377 -25.755 28.156 1.00 32.20 ATOM 676 HB1 SER 44 18.239 -25.151 27.936 1.00 36.63 ATOM 677 HB2 SER 44 16.682 -25.179 28.751 1.00 50.11 ATOM 678 OG SER 44 16.738 -26.121 26.945 1.00 44.42 ATOM 679 HG SER 44 16.310 -25.351 26.563 1.00 73.12 ATOM 680 C SER 44 16.612 -27.918 29.154 1.00 22.11 ATOM 681 O SER 44 15.853 -27.766 30.112 1.00 20.22 ATOM 682 N LEU 45 16.451 -28.878 28.250 1.00 44.34 ATOM 683 HN LEU 45 17.072 -28.953 27.491 1.00 36.63 ATOM 684 CA LEU 45 15.349 -29.830 28.332 1.00 41.32 ATOM 685 HA LEU 45 14.582 -29.433 28.987 1.00 5.42 ATOM 686 CB LEU 45 14.731 -30.044 26.949 1.00 34.43 ATOM 687 HB1 LEU 45 13.858 -30.672 27.065 1.00 36.63 ATOM 688 HB2 LEU 45 15.452 -30.582 26.352 1.00 4.33 ATOM 689 CG LEU 45 14.328 -28.780 26.190 1.00 12.44 ATOM 690 HG LEU 45 14.916 -27.939 26.530 1.00 63.30 ATOM 691 CD1 LEU 45 14.594 -28.943 24.702 1.00 53.31 ATOM 692 HD11 LEU 45 15.574 -29.356 24.535 1.00 13.34 ATOM 693 HD12 LEU 45 14.527 -27.980 24.219 1.00 21.22 ATOM 694 HD13 LEU 45 13.858 -29.609 24.272 1.00 34.22 ATOM 695 CD2 LEU 45 12.863 -28.452 26.440 1.00 52.14 ATOM 696 HD21 LEU 45 12.241 -29.263 26.086 1.00 75.31 ATOM 697 HD22 LEU 45 12.600 -27.543 25.916 1.00 5.35 ATOM 698 HD23 LEU 45 12.699 -28.311 27.499 1.00 23.51 ATOM 699 C LEU 45 15.822 -31.163 28.902 1.00 3.24 ATOM 700 O LEU 45 15.163 -32.190 28.740 1.00 52.45 ATOM 701 N LYS 46 16.968 -31.139 29.574 1.00 25.41 ATOM 702 HN LYS 46 17.443 -30.300 29.707 1.00 36.63 ATOM 703 CA LYS 46 17.530 -32.345 30.173 1.00 54.41 ATOM 704 HA LYS 46 17.551 -33.119 29.415 1.00 30.44 ATOM 705 CB LYS 46 18.959 -32.082 30.653 1.00 33.35 ATOM 706 HB1 LYS 46 18.933 -31.416 31.508 1.00 36.63 ATOM 707 HB2 LYS 46 19.505 -31.605 29.853 1.00 24.21 ATOM 708 CG LYS 46 19.713 -33.344 31.036 1.00 11.13 ATOM 709 HG1 LYS 46 19.870 -33.937 30.146 1.00 36.63 ATOM 710 HG2 LYS 46 19.117 -33.908 31.742 1.00 44.10 ATOM 711 CD LYS 46 21.062 -33.021 31.655 1.00 4.44 ATOM 712 HD1 LYS 46 21.024 -32.053 32.142 1.00 36.63 ATOM 713 HD2 LYS 46 21.807 -33.000 30.875 1.00 24.20 ATOM 714 CE LYS 46 21.466 -34.063 32.687 1.00 1.53 ATOM 715 HE1 LYS 46 21.597 -35.013 32.190 1.00 36.63 ATOM 716 HE2 LYS 46 20.683 -34.149 33.428 1.00 71.43 ATOM 717 NZ LYS 46 22.736 -33.699 33.376 1.00 54.35 ATOM 718 HZ1 LYS 46 22.632 -32.788 33.871 1.00 33.31 ATOM 719 HZ2 LYS 46 23.512 -33.620 32.687 1.00 32.04 ATOM 720 HZ3 LYS 46 22.983 -34.431 34.073 1.00 71.41 ATOM 721 C LYS 46 16.670 -32.824 31.338 1.00 1.03 ATOM 722 O LYS 46 16.222 -33.971 31.361 1.00 5.42 ATOM 723 N ASP 47 16.443 -31.939 32.303 1.00 75.24 ATOM 724 HN ASP 47 16.858 -31.048 32.232 1.00 36.63 ATOM 725 CA ASP 47 15.634 -32.271 33.470 1.00 21.50 ATOM 726 HA ASP 47 16.099 -33.108 33.974 1.00 41.31 ATOM 727 CB ASP 47 15.580 -31.085 34.434 1.00 71.22 ATOM 728 HB1 ASP 47 16.547 -30.975 34.904 1.00 36.63 ATOM 729 HB2 ASP 47 14.838 -31.265 35.199 1.00 15.42 ATOM 730 CG ASP 47 15.245 -29.784 33.732 1.00 44.31 ATOM 731 OD1 ASP 47 16.182 -29.017 33.424 1.00 24.24 ATOM 732 OD2 ASP 47 14.047 -29.532 33.489 1.00 33.13 ATOM 733 C ASP 47 14.221 -32.672 33.057 1.00 43.25 ATOM 734 O ASP 47 13.658 -33.631 33.582 1.00 10.23 ATOM 735 N GLY 48 13.654 -31.929 32.111 1.00 13.11 ATOM 736 HN GLY 48 14.140 -31.176 31.709 1.00 36.63 ATOM 737 CA GLY 48 12.311 -32.221 31.644 1.00 22.31 ATOM 738 HA1 GLY 48 12.111 -33.278 31.717 1.00 36.63 ATOM 739 HA2 GLY 48 12.251 -31.936 30.605 1.00 70.04 ATOM 740 C GLY 48 11.252 -31.450 32.406 1.00 54.03 ATOM 741 O GLY 48 10.125 -31.298 31.934 1.00 54.10 ATOM 742 N VAL 49 11.612 -30.963 33.589 1.00 42.54 ATOM 743 HN VAL 49 12.521 -31.082 33.905 1.00 36.63 ATOM 744 CA VAL 49 10.684 -30.203 34.418 1.00 71.32 ATOM 745 HA VAL 49 9.907 -30.878 34.753 1.00 62.30 ATOM 746 CB VAL 49 11.388 -29.616 35.655 1.00 1.03 ATOM 747 HB VAL 49 12.175 -28.953 35.321 1.00 63.10 ATOM 748 CG1 VAL 49 10.409 -28.808 36.494 1.00 63.03 ATOM 749 HG11 VAL 49 9.526 -29.398 36.702 1.00 31.35 ATOM 750 HG12 VAL 49 10.129 -27.914 35.965 1.00 4.12 ATOM 751 HG13 VAL 49 10.875 -28.527 37.429 1.00 64.21 ATOM 752 CG2 VAL 49 12.023 -30.724 36.482 1.00 3.32 ATOM 753 HG21 VAL 49 12.472 -30.305 37.372 1.00 31.05 ATOM 754 HG22 VAL 49 12.782 -31.225 35.907 1.00 25.11 ATOM 755 HG23 VAL 49 11.265 -31.430 36.764 1.00 61.11 ATOM 756 C VAL 49 10.041 -29.070 33.627 1.00 41.34 ATOM 757 O VAL 49 8.907 -28.675 33.896 1.00 35.33 ATOM 758 N VAL 50 10.774 -28.549 32.647 1.00 20.04 ATOM 759 HN VAL 50 11.693 -28.865 32.495 1.00 36.63 ATOM 760 CA VAL 50 10.275 -27.461 31.815 1.00 62.12 ATOM 761 HA VAL 50 9.713 -26.778 32.439 1.00 3.11 ATOM 762 CB VAL 50 11.431 -26.676 31.166 1.00 14.53 ATOM 763 HB VAL 50 12.003 -27.354 30.547 1.00 1.23 ATOM 764 CG1 VAL 50 10.890 -25.564 30.280 1.00 15.23 ATOM 765 HG11 VAL 50 11.715 -24.983 29.903 1.00 34.42 ATOM 766 HG12 VAL 50 10.234 -24.923 30.852 1.00 23.52 ATOM 767 HG13 VAL 50 10.349 -25.982 29.445 1.00 20.21 ATOM 768 CG2 VAL 50 12.358 -26.114 32.234 1.00 72.33 ATOM 769 HG21 VAL 50 13.167 -25.571 31.764 1.00 13.35 ATOM 770 HG22 VAL 50 12.769 -26.923 32.821 1.00 33.32 ATOM 771 HG23 VAL 50 11.806 -25.445 32.880 1.00 51.23 ATOM 772 C VAL 50 9.354 -27.986 30.719 1.00 11.52 ATOM 773 O VAL 50 8.348 -27.358 30.385 1.00 43.41 ATOM 774 N LEU 51 9.703 -29.140 30.163 1.00 32.53 ATOM 775 HN LEU 51 10.531 -29.591 30.455 1.00 36.63 ATOM 776 CA LEU 51 8.907 -29.751 29.104 1.00 34.44 ATOM 777 HA LEU 51 8.939 -29.096 28.245 1.00 11.04 ATOM 778 CB LEU 51 9.486 -31.115 28.726 1.00 63.42 ATOM 779 HB1 LEU 51 8.679 -31.765 28.401 1.00 36.63 ATOM 780 HB2 LEU 51 9.916 -31.551 29.614 1.00 55.44 ATOM 781 CG LEU 51 10.553 -31.111 27.630 1.00 10.42 ATOM 782 HG LEU 51 11.258 -30.314 27.822 1.00 31.13 ATOM 783 CD1 LEU 51 11.323 -32.422 27.629 1.00 74.32 ATOM 784 HD11 LEU 51 10.638 -33.249 27.499 1.00 63.11 ATOM 785 HD12 LEU 51 11.852 -32.535 28.562 1.00 53.41 ATOM 786 HD13 LEU 51 12.027 -32.413 26.818 1.00 1.13 ATOM 787 CD2 LEU 51 9.919 -30.861 26.270 1.00 51.34 ATOM 788 HD21 LEU 51 10.690 -30.848 25.514 1.00 1.04 ATOM 789 HD22 LEU 51 9.410 -29.908 26.274 1.00 23.55 ATOM 790 HD23 LEU 51 9.210 -31.646 26.046 1.00 11.34 ATOM 791 C LEU 51 7.452 -29.907 29.537 1.00 3.43 ATOM 792 O LEU 51 6.534 -29.514 28.816 1.00 63.51 ATOM 793 N CYS 52 7.250 -30.479 30.719 1.00 2.50 ATOM 794 HN CYS 52 8.028 -30.771 31.252 1.00 36.63 ATOM 795 CA CYS 52 5.907 -30.684 31.249 1.00 30.22 ATOM 796 HA CYS 52 5.366 -31.317 30.558 1.00 13.53 ATOM 797 CB CYS 52 5.974 -31.380 32.610 1.00 41.53 ATOM 798 HB1 CYS 52 4.977 -31.457 33.025 1.00 36.63 ATOM 799 HB2 CYS 52 6.590 -30.795 33.276 1.00 54.44 ATOM 800 SG CYS 52 6.666 -33.049 32.552 1.00 31.11 ATOM 801 HG CYS 52 7.896 -32.999 33.041 1.00 41.32 ATOM 802 C CYS 52 5.164 -29.358 31.378 1.00 24.32 ATOM 803 O CYS 52 4.004 -29.244 30.983 1.00 61.22 ATOM 804 N ARG 53 5.841 -28.359 31.935 1.00 33.14 ATOM 805 HN ARG 53 6.766 -28.513 32.244 1.00 36.63 ATOM 806 CA ARG 53 5.244 -27.042 32.119 1.00 1.35 ATOM 807 HA ARG 53 4.438 -27.138 32.834 1.00 24.34 ATOM 808 CB ARG 53 6.283 -26.059 32.661 1.00 5.25 ATOM 809 HB1 ARG 53 5.897 -25.050 32.582 1.00 36.63 ATOM 810 HB2 ARG 53 7.177 -26.136 32.064 1.00 22.14 ATOM 811 CG ARG 53 6.649 -26.300 34.117 1.00 13.31 ATOM 812 HG1 ARG 53 6.905 -27.340 34.253 1.00 36.63 ATOM 813 HG2 ARG 53 5.798 -26.055 34.735 1.00 51.31 ATOM 814 CD ARG 53 7.828 -25.441 34.545 1.00 2.31 ATOM 815 HD1 ARG 53 7.607 -24.400 34.352 1.00 36.63 ATOM 816 HD2 ARG 53 8.687 -25.729 33.960 1.00 34.24 ATOM 817 NE ARG 53 8.154 -25.623 35.957 1.00 64.01 ATOM 818 HE ARG 53 8.901 -26.216 36.173 1.00 12.11 ATOM 819 CZ ARG 53 7.497 -25.028 36.946 1.00 75.41 ATOM 820 NH1 ARG 53 6.482 -24.218 36.678 1.00 11.15 ATOM 821 HH11 ARG 53 6.187 -24.039 35.743 1.00 25.12 ATOM 822 HH12 ARG 53 5.995 -23.771 37.432 1.00 23.31 ATOM 823 NH2 ARG 53 7.853 -25.244 38.206 1.00 71.54 ATOM 824 HH21 ARG 53 8.618 -25.856 38.415 1.00 22.01 ATOM 825 HH22 ARG 53 7.359 -24.796 38.954 1.00 24.51 ATOM 826 C ARG 53 4.668 -26.517 30.807 1.00 24.42 ATOM 827 O ARG 53 3.586 -25.930 30.782 1.00 32.42 ATOM 828 N LEU 54 5.399 -26.733 29.719 1.00 42.41 ATOM 829 HN LEU 54 6.265 -27.198 29.799 1.00 36.63 ATOM 830 CA LEU 54 4.962 -26.282 28.402 1.00 11.32 ATOM 831 HA LEU 54 4.821 -25.215 28.435 1.00 14.44 ATOM 832 CB LEU 54 6.026 -26.604 27.352 1.00 41.13 ATOM 833 HB1 LEU 54 6.388 -27.600 27.541 1.00 36.63 ATOM 834 HB2 LEU 54 6.850 -25.916 27.488 1.00 42.44 ATOM 835 CG LEU 54 5.572 -26.534 25.893 1.00 22.52 ATOM 836 HG LEU 54 4.708 -27.157 25.753 1.00 34.02 ATOM 837 CD1 LEU 54 5.187 -25.111 25.521 1.00 24.00 ATOM 838 HD11 LEU 54 4.423 -24.746 26.193 1.00 3.12 ATOM 839 HD12 LEU 54 4.808 -25.092 24.512 1.00 41.43 ATOM 840 HD13 LEU 54 6.060 -24.481 25.590 1.00 2.52 ATOM 841 CD2 LEU 54 6.665 -27.052 24.969 1.00 32.43 ATOM 842 HD21 LEU 54 6.346 -26.981 23.951 1.00 13.24 ATOM 843 HD22 LEU 54 6.872 -28.086 25.202 1.00 32.04 ATOM 844 HD23 LEU 54 7.555 -26.477 25.105 1.00 32.41 ATOM 845 C LEU 54 3.637 -26.931 28.016 1.00 30.53 ATOM 846 O LEU 54 2.706 -26.255 27.578 1.00 51.15 ATOM 847 N LEU 55 3.558 -28.247 28.184 1.00 2.23 ATOM 848 HN LEU 55 4.340 -28.737 28.535 1.00 36.63 ATOM 849 CA LEU 55 2.346 -28.989 27.856 1.00 52.21 ATOM 850 HA LEU 55 2.130 -28.831 26.808 1.00 73.11 ATOM 851 CB LEU 55 2.559 -30.484 28.096 1.00 71.54 ATOM 852 HB1 LEU 55 2.881 -30.612 29.121 1.00 36.63 ATOM 853 HB2 LEU 55 3.360 -30.813 27.447 1.00 44.34 ATOM 854 CG LEU 55 1.344 -31.382 27.859 1.00 12.01 ATOM 855 HG LEU 55 0.545 -31.088 28.523 1.00 55.43 ATOM 856 CD1 LEU 55 0.842 -31.236 26.431 1.00 42.11 ATOM 857 HD11 LEU 55 0.241 -30.342 26.359 1.00 43.43 ATOM 858 HD12 LEU 55 0.239 -32.091 26.153 1.00 3.01 ATOM 859 HD13 LEU 55 1.673 -31.151 25.758 1.00 43.20 ATOM 860 CD2 LEU 55 1.686 -32.834 28.160 1.00 4.21 ATOM 861 HD21 LEU 55 2.666 -32.910 28.611 1.00 21.11 ATOM 862 HD22 LEU 55 1.675 -33.426 27.253 1.00 43.44 ATOM 863 HD23 LEU 55 0.953 -33.231 28.847 1.00 20.22 ATOM 864 C LEU 55 1.163 -28.493 28.682 1.00 23.11 ATOM 865 O LEU 55 0.013 -28.595 28.258 1.00 14.35 ATOM 866 N GLU 56 1.456 -27.955 29.862 1.00 64.11 ATOM 867 HN GLU 56 2.388 -27.927 30.170 1.00 36.63 ATOM 868 CA GLU 56 0.417 -27.442 30.746 1.00 35.32 ATOM 869 HA GLU 56 -0.421 -28.131 30.723 1.00 25.14 ATOM 870 CB GLU 56 0.942 -27.335 32.179 1.00 31.33 ATOM 871 HB1 GLU 56 0.496 -26.475 32.666 1.00 36.63 ATOM 872 HB2 GLU 56 2.013 -27.192 32.154 1.00 21.35 ATOM 873 CG GLU 56 0.629 -28.551 33.035 1.00 72.32 ATOM 874 HG1 GLU 56 0.547 -29.415 32.406 1.00 36.63 ATOM 875 HG2 GLU 56 -0.316 -28.385 33.531 1.00 24.32 ATOM 876 CD GLU 56 1.687 -28.810 34.090 1.00 74.41 ATOM 877 OE1 GLU 56 1.363 -28.704 35.292 1.00 64.53 ATOM 878 OE2 GLU 56 2.837 -29.119 33.715 1.00 51.55 ATOM 879 C GLU 56 -0.078 -26.079 30.271 1.00 33.11 ATOM 880 O GLU 56 -1.255 -25.749 30.418 1.00 51.34 ATOM 881 N ARG 57 0.829 -25.292 29.702 1.00 21.23 ATOM 882 HN ARG 57 1.763 -25.598 29.627 1.00 36.63 ATOM 883 CA ARG 57 0.486 -23.964 29.207 1.00 23.53 ATOM 884 HA ARG 57 0.131 -23.381 30.042 1.00 63.33 ATOM 885 CB ARG 57 1.716 -23.293 28.593 1.00 12.31 ATOM 886 HB1 ARG 57 1.402 -22.484 27.942 1.00 36.63 ATOM 887 HB2 ARG 57 2.252 -24.014 28.003 1.00 2.34 ATOM 888 CG ARG 57 2.676 -22.722 29.624 1.00 44.15 ATOM 889 HG1 ARG 57 3.578 -22.432 29.115 1.00 36.63 ATOM 890 HG2 ARG 57 2.901 -23.475 30.366 1.00 62.23 ATOM 891 CD ARG 57 2.092 -21.499 30.313 1.00 35.44 ATOM 892 HD1 ARG 57 2.779 -21.182 31.084 1.00 36.63 ATOM 893 HD2 ARG 57 1.155 -21.776 30.769 1.00 23.55 ATOM 894 NE ARG 57 1.886 -20.392 29.384 1.00 63.14 ATOM 895 HE ARG 57 2.385 -20.405 28.534 1.00 73.44 ATOM 896 CZ ARG 57 1.072 -19.371 29.626 1.00 44.54 ATOM 897 NH1 ARG 57 0.391 -19.316 30.762 1.00 45.11 ATOM 898 HH11 ARG 57 0.472 -20.025 31.457 1.00 50.21 ATOM 899 HH12 ARG 57 -0.223 -18.542 30.931 1.00 2.12 ATOM 900 NH2 ARG 57 0.939 -18.401 28.730 1.00 12.40 ATOM 901 HH21 ARG 57 1.452 -18.436 27.870 1.00 33.23 ATOM 902 HH22 ARG 57 0.325 -17.629 28.910 1.00 61.41 ATOM 903 C ARG 57 -0.634 -24.042 28.174 1.00 43.02 ATOM 904 O ARG 57 -1.585 -23.260 28.213 1.00 21.45 ATOM 905 N LEU 58 -0.514 -24.989 27.249 1.00 10.55 ATOM 906 HN LEU 58 0.254 -25.607 27.282 1.00 36.63 ATOM 907 CA LEU 58 -1.516 -25.168 26.204 1.00 21.44 ATOM 908 HA LEU 58 -1.985 -24.213 25.999 1.00 31.22 ATOM 909 CB LEU 58 -0.855 -25.665 24.917 1.00 11.51 ATOM 910 HB1 LEU 58 -1.528 -25.466 24.094 1.00 36.63 ATOM 911 HB2 LEU 58 -0.730 -26.741 24.997 1.00 61.31 ATOM 912 CG LEU 58 0.509 -25.059 24.586 1.00 4.24 ATOM 913 HG LEU 58 1.161 -25.137 25.440 1.00 54.03 ATOM 914 CD1 LEU 58 1.169 -25.819 23.446 1.00 33.13 ATOM 915 HD11 LEU 58 2.229 -25.889 23.642 1.00 3.04 ATOM 916 HD12 LEU 58 1.023 -25.297 22.511 1.00 73.40 ATOM 917 HD13 LEU 58 0.761 -26.819 23.365 1.00 42.54 ATOM 918 CD2 LEU 58 0.368 -23.585 24.236 1.00 53.15 ATOM 919 HD21 LEU 58 1.342 -23.168 24.021 1.00 51.32 ATOM 920 HD22 LEU 58 -0.067 -23.057 25.072 1.00 34.13 ATOM 921 HD23 LEU 58 -0.268 -23.476 23.368 1.00 63.54 ATOM 922 C LEU 58 -2.594 -26.152 26.648 1.00 54.35 ATOM 923 O LEU 58 -3.786 -25.916 26.445 1.00 52.43 ATOM 924 N LEU 59 -2.169 -27.254 27.255 1.00 12.22 ATOM 925 HN LEU 59 -1.205 -27.401 27.391 1.00 36.63 ATOM 926 CA LEU 59 -3.099 -28.273 27.730 1.00 42.11 ATOM 927 HA LEU 59 -4.101 -28.013 27.434 1.00 61.14 ATOM 928 CB LEU 59 -2.754 -29.631 27.117 1.00 71.24 ATOM 929 HB1 LEU 59 -3.297 -30.392 27.658 1.00 36.63 ATOM 930 HB2 LEU 59 -1.702 -29.808 27.254 1.00 70.44 ATOM 931 CG LEU 59 -3.083 -29.800 25.633 1.00 64.52 ATOM 932 HG LEU 59 -2.557 -29.045 25.066 1.00 43.33 ATOM 933 CD1 LEU 59 -2.624 -31.163 25.137 1.00 43.24 ATOM 934 HD11 LEU 59 -3.102 -31.943 25.714 1.00 70.45 ATOM 935 HD12 LEU 59 -1.558 -31.243 25.240 1.00 41.15 ATOM 936 HD13 LEU 59 -2.887 -31.278 24.094 1.00 22.25 ATOM 937 CD2 LEU 59 -4.574 -29.618 25.393 1.00 51.04 ATOM 938 HD21 LEU 59 -5.132 -30.302 26.017 1.00 63.14 ATOM 939 HD22 LEU 59 -4.802 -29.817 24.354 1.00 33.15 ATOM 940 HD23 LEU 59 -4.860 -28.605 25.624 1.00 74.01 ATOM 941 C LEU 59 -3.072 -28.368 29.252 1.00 1.11 ATOM 942 O LEU 59 -2.542 -29.317 29.830 1.00 34.30 ATOM 943 N PRO 60 -3.658 -27.362 29.918 1.00 21.25 ATOM 944 CA PRO 60 -3.717 -27.311 31.382 1.00 2.33 ATOM 945 HA PRO 60 -2.732 -27.410 31.819 1.00 71.23 ATOM 946 CB PRO 60 -4.258 -25.907 31.666 1.00 21.24 ATOM 947 HB1 PRO 60 -3.430 -25.231 31.819 1.00 36.63 ATOM 948 HB2 PRO 60 -4.890 -25.907 32.546 1.00 20.23 ATOM 949 CG PRO 60 -5.025 -25.542 30.442 1.00 5.14 ATOM 950 HG1 PRO 60 -5.029 -24.469 30.317 1.00 36.63 ATOM 951 HG2 PRO 60 -6.036 -25.916 30.517 1.00 43.42 ATOM 952 CD PRO 60 -4.309 -26.198 29.294 1.00 22.12 ATOM 953 HD1 PRO 60 -3.580 -25.517 28.895 1.00 36.63 ATOM 954 HD2 PRO 60 -5.016 -26.495 28.536 1.00 13.04 ATOM 955 C PRO 60 -4.649 -28.369 31.963 1.00 51.45 ATOM 956 O PRO 60 -5.868 -28.277 31.828 1.00 55.25 ATOM 957 N GLY 61 -4.067 -29.374 32.610 1.00 43.51 ATOM 958 HN GLY 61 -3.086 -29.399 32.700 1.00 36.63 ATOM 959 CA GLY 61 -4.861 -30.434 33.201 1.00 20.43 ATOM 960 HA1 GLY 61 -5.890 -30.373 32.868 1.00 36.63 ATOM 961 HA2 GLY 61 -4.842 -30.318 34.274 1.00 54.45 ATOM 962 C GLY 61 -4.333 -31.814 32.859 1.00 54.53 ATOM 963 O GLY 61 -4.647 -32.793 33.536 1.00 21.11 ATOM 964 N THR 62 -3.530 -31.893 31.802 1.00 13.32 ATOM 965 HN THR 62 -3.316 -31.084 31.285 1.00 36.63 ATOM 966 CA THR 62 -2.960 -33.162 31.369 1.00 74.12 ATOM 967 HA THR 62 -3.771 -33.878 31.280 1.00 40.45 ATOM 968 CB THR 62 -2.269 -33.029 29.999 1.00 5.11 ATOM 969 HB THR 62 -1.256 -32.669 30.139 1.00 30.25 ATOM 970 OG1 THR 62 -2.972 -32.084 29.185 1.00 72.54 ATOM 971 HG1 THR 62 -3.887 -32.362 29.043 1.00 51.21 ATOM 972 CG2 THR 62 -2.209 -34.373 29.290 1.00 74.24 ATOM 973 HG21 THR 62 -1.721 -34.252 28.334 1.00 52.30 ATOM 974 HG22 THR 62 -3.211 -34.747 29.136 1.00 44.52 ATOM 975 HG23 THR 62 -1.650 -35.076 29.891 1.00 61.34 ATOM 976 C THR 62 -1.953 -33.688 32.385 1.00 33.20 ATOM 977 O THR 62 -2.039 -34.837 32.820 1.00 30.01 ATOM 978 N ILE 63 -1.001 -32.841 32.760 1.00 64.32 ATOM 979 HN ILE 63 -1.021 -31.921 32.412 1.00 36.63 ATOM 980 CA ILE 63 0.022 -33.222 33.727 1.00 53.53 ATOM 981 HA ILE 63 0.468 -34.154 33.390 1.00 72.12 ATOM 982 CB ILE 63 1.135 -32.161 33.815 1.00 21.12 ATOM 983 HB ILE 63 0.727 -31.279 34.282 1.00 14.42 ATOM 984 CG1 ILE 63 1.635 -31.797 32.416 1.00 50.03 ATOM 985 HG11 ILE 63 2.423 -31.068 32.496 1.00 36.63 ATOM 986 HG12 ILE 63 0.834 -31.379 31.834 1.00 54.32 ATOM 987 CG2 ILE 63 2.281 -32.667 34.678 1.00 64.41 ATOM 988 HG21 ILE 63 1.951 -32.759 35.702 1.00 14.12 ATOM 989 HG22 ILE 63 3.106 -31.968 34.637 1.00 25.11 ATOM 990 HG23 ILE 63 2.614 -33.632 34.323 1.00 74.34 ATOM 991 CD1 ILE 63 2.190 -32.975 31.647 1.00 74.55 ATOM 992 HD11 ILE 63 2.618 -32.618 30.726 1.00 31.34 ATOM 993 HD12 ILE 63 1.398 -33.673 31.424 1.00 23.41 ATOM 994 HD13 ILE 63 2.957 -33.471 32.221 1.00 62.43 ATOM 995 C ILE 63 -0.581 -33.426 35.112 1.00 33.14 ATOM 996 O ILE 63 -0.940 -32.465 35.792 1.00 44.23 ATOM 997 N GLU 64 -0.688 -34.685 35.525 1.00 31.33 ATOM 998 HN GLU 64 -0.370 -35.417 34.944 1.00 36.63 ATOM 999 CA GLU 64 -1.247 -35.015 36.831 1.00 21.41 ATOM 1000 HA GLU 64 -1.967 -34.253 37.107 1.00 71.35 ATOM 1001 CB GLU 64 -1.970 -36.363 36.775 1.00 10.32 ATOM 1002 HB1 GLU 64 -1.308 -37.092 36.330 1.00 36.63 ATOM 1003 HB2 GLU 64 -2.842 -36.253 36.144 1.00 63.30 ATOM 1004 CG GLU 64 -2.401 -36.879 38.138 1.00 63.33 ATOM 1005 HG1 GLU 64 -2.596 -36.042 38.798 1.00 36.63 ATOM 1006 HG2 GLU 64 -1.603 -37.478 38.549 1.00 11.20 ATOM 1007 CD GLU 64 -3.653 -37.731 38.069 1.00 31.53 ATOM 1008 OE1 GLU 64 -3.533 -38.938 37.771 1.00 71.31 ATOM 1009 OE2 GLU 64 -4.752 -37.192 38.314 1.00 74.32 ATOM 1010 C GLU 64 -0.154 -35.056 37.896 1.00 55.12 ATOM 1011 O GLU 64 -0.361 -34.627 39.031 1.00 15.21 ATOM 1012 N LYS 65 1.010 -35.575 37.521 1.00 33.41 ATOM 1013 HN LYS 65 1.116 -35.934 36.609 1.00 36.63 ATOM 1014 CA LYS 65 2.136 -35.673 38.441 1.00 4.54 ATOM 1015 HA LYS 65 2.025 -34.909 39.203 1.00 61.53 ATOM 1016 CB LYS 65 2.148 -37.042 39.124 1.00 75.33 ATOM 1017 HB1 LYS 65 2.067 -37.808 38.367 1.00 36.63 ATOM 1018 HB2 LYS 65 1.295 -37.111 39.784 1.00 14.03 ATOM 1019 CG LYS 65 3.403 -37.307 39.936 1.00 3.02 ATOM 1020 HG1 LYS 65 4.262 -37.335 39.283 1.00 36.63 ATOM 1021 HG2 LYS 65 3.292 -38.273 40.411 1.00 23.11 ATOM 1022 CD LYS 65 3.614 -36.242 41.000 1.00 71.52 ATOM 1023 HD1 LYS 65 2.661 -35.824 41.302 1.00 36.63 ATOM 1024 HD2 LYS 65 4.235 -35.462 40.594 1.00 2.25 ATOM 1025 CE LYS 65 4.305 -36.812 42.229 1.00 31.13 ATOM 1026 HE1 LYS 65 4.762 -35.997 42.771 1.00 36.63 ATOM 1027 HE2 LYS 65 5.075 -37.510 41.925 1.00 11.33 ATOM 1028 NZ LYS 65 3.346 -37.507 43.132 1.00 21.50 ATOM 1029 HZ1 LYS 65 2.613 -36.844 43.461 1.00 41.40 ATOM 1030 HZ2 LYS 65 3.849 -37.884 43.961 1.00 53.51 ATOM 1031 HZ3 LYS 65 2.887 -38.298 42.633 1.00 21.02 ATOM 1032 C LYS 65 3.456 -35.446 37.711 1.00 4.23 ATOM 1033 O LYS 65 3.745 -36.102 36.711 1.00 74.44 ATOM 1034 N VAL 66 4.256 -34.513 38.219 1.00 32.12 ATOM 1035 HN VAL 66 3.971 -34.001 39.011 1.00 36.63 ATOM 1036 CA VAL 66 5.547 -34.202 37.617 1.00 54.11 ATOM 1037 HA VAL 66 5.778 -34.957 36.871 1.00 60.33 ATOM 1038 CB VAL 66 5.526 -32.826 36.924 1.00 74.51 ATOM 1039 HB VAL 66 4.600 -32.734 36.374 1.00 34.53 ATOM 1040 CG1 VAL 66 5.579 -31.709 37.954 1.00 12.41 ATOM 1041 HG11 VAL 66 6.602 -31.492 38.215 1.00 25.21 ATOM 1042 HG12 VAL 66 5.030 -31.988 38.845 1.00 14.25 ATOM 1043 HG13 VAL 66 5.130 -30.822 37.531 1.00 13.50 ATOM 1044 CG2 VAL 66 6.678 -32.709 35.938 1.00 21.40 ATOM 1045 HG21 VAL 66 6.476 -31.896 35.259 1.00 33.31 ATOM 1046 HG22 VAL 66 6.780 -33.628 35.379 1.00 61.10 ATOM 1047 HG23 VAL 66 7.602 -32.507 36.463 1.00 54.23 ATOM 1048 C VAL 66 6.658 -34.216 38.661 1.00 72.15 ATOM 1049 O VAL 66 6.398 -34.117 39.860 1.00 24.41 ATOM 1050 N TYR 67 7.896 -34.339 38.196 1.00 2.12 ATOM 1051 HN TYR 67 8.051 -34.458 37.234 1.00 36.63 ATOM 1052 CA TYR 67 9.048 -34.368 39.090 1.00 41.14 ATOM 1053 HA TYR 67 8.712 -34.428 40.110 1.00 61.13 ATOM 1054 CB TYR 67 9.909 -35.600 38.807 1.00 74.44 ATOM 1055 HB1 TYR 67 10.798 -35.565 39.425 1.00 36.63 ATOM 1056 HB2 TYR 67 10.204 -35.587 37.766 1.00 71.35 ATOM 1057 CG TYR 67 9.206 -36.908 39.092 1.00 34.21 ATOM 1058 CD1 TYR 67 9.377 -38.008 38.260 1.00 41.32 ATOM 1059 HD1 TYR 67 10.016 -37.913 37.410 1.00 64.35 ATOM 1060 CD2 TYR 67 8.369 -37.044 40.193 1.00 23.41 ATOM 1061 HD2 TYR 67 8.220 -36.212 40.862 1.00 41.31 ATOM 1062 CE1 TYR 67 8.736 -39.204 38.516 1.00 24.51 ATOM 1063 HE1 TYR 67 8.881 -40.049 37.872 1.00 63.22 ATOM 1064 CE2 TYR 67 7.726 -38.238 40.458 1.00 12.30 ATOM 1065 HE2 TYR 67 7.081 -38.324 41.320 1.00 20.14 ATOM 1066 CZ TYR 67 7.912 -39.315 39.617 1.00 43.44 ATOM 1067 OH TYR 67 7.272 -40.505 39.876 1.00 12.43 ATOM 1068 HH TYR 67 7.904 -41.152 40.204 1.00 13.12 ATOM 1069 C TYR 67 9.887 -33.103 38.938 1.00 11.53 ATOM 1070 O TYR 67 10.904 -33.080 38.245 1.00 53.05 ATOM 1071 N PRO 68 9.452 -32.022 39.604 1.00 33.51 ATOM 1072 CA PRO 68 10.147 -30.733 39.561 1.00 4.24 ATOM 1073 HA PRO 68 10.304 -30.408 38.555 1.00 65.33 ATOM 1074 CB PRO 68 9.175 -29.782 40.265 1.00 63.15 ATOM 1075 HB1 PRO 68 8.548 -29.304 39.528 1.00 36.63 ATOM 1076 HB2 PRO 68 9.712 -29.025 40.825 1.00 12.11 ATOM 1077 CG PRO 68 8.371 -30.658 41.161 1.00 33.14 ATOM 1078 HG1 PRO 68 7.395 -30.225 41.319 1.00 36.63 ATOM 1079 HG2 PRO 68 8.882 -30.787 42.104 1.00 71.42 ATOM 1080 CD PRO 68 8.247 -31.977 40.450 1.00 24.22 ATOM 1081 HD1 PRO 68 7.363 -31.982 39.870 1.00 36.63 ATOM 1082 HD2 PRO 68 8.237 -32.780 41.170 1.00 74.31 ATOM 1083 C PRO 68 11.482 -30.770 40.297 1.00 4.32 ATOM 1084 O PRO 68 12.355 -29.935 40.060 1.00 14.45 ATOM 1085 N GLU 69 11.634 -31.743 41.190 1.00 64.12 ATOM 1086 HN GLU 69 10.898 -32.366 41.377 1.00 36.63 ATOM 1087 CA GLU 69 12.864 -31.887 41.960 1.00 62.20 ATOM 1088 HA GLU 69 13.651 -31.308 41.495 1.00 25.13 ATOM 1089 CB GLU 69 12.669 -31.351 43.380 1.00 51.44 ATOM 1090 HB1 GLU 69 13.639 -31.254 43.847 1.00 36.63 ATOM 1091 HB2 GLU 69 12.070 -32.050 43.951 1.00 10.03 ATOM 1092 CG GLU 69 11.973 -30.001 43.430 1.00 53.03 ATOM 1093 HG1 GLU 69 10.956 -30.121 43.085 1.00 36.63 ATOM 1094 HG2 GLU 69 12.494 -29.312 42.780 1.00 63.11 ATOM 1095 CD GLU 69 11.942 -29.412 44.827 1.00 74.13 ATOM 1096 OE1 GLU 69 12.805 -28.562 45.131 1.00 54.02 ATOM 1097 OE2 GLU 69 11.055 -29.801 45.616 1.00 64.24 ATOM 1098 C GLU 69 13.305 -33.347 42.013 1.00 64.15 ATOM 1099 O GLU 69 13.205 -34.016 43.042 1.00 40.55 ATOM 1100 N PRO 70 13.806 -33.855 40.876 1.00 15.22 ATOM 1101 CA PRO 70 14.272 -35.240 40.766 1.00 21.12 ATOM 1102 HA PRO 70 13.508 -35.937 41.084 1.00 73.53 ATOM 1103 CB PRO 70 14.526 -35.411 39.266 1.00 2.34 ATOM 1104 HB1 PRO 70 13.644 -35.825 38.800 1.00 36.63 ATOM 1105 HB2 PRO 70 15.360 -36.070 39.103 1.00 5.34 ATOM 1106 CG PRO 70 14.797 -34.033 38.769 1.00 52.22 ATOM 1107 HG1 PRO 70 14.512 -33.955 37.730 1.00 36.63 ATOM 1108 HG2 PRO 70 15.844 -33.798 38.891 1.00 43.34 ATOM 1109 CD PRO 70 13.955 -33.115 39.611 1.00 35.45 ATOM 1110 HD1 PRO 70 13.004 -32.945 39.148 1.00 36.63 ATOM 1111 HD2 PRO 70 14.473 -32.181 39.764 1.00 25.54 ATOM 1112 C PRO 70 15.554 -35.484 41.555 1.00 61.42 ATOM 1113 O PRO 70 16.425 -34.617 41.625 1.00 25.51 ATOM 1114 N ARG 71 15.663 -36.670 42.146 1.00 11.42 ATOM 1115 HN ARG 71 14.921 -37.313 42.083 1.00 36.63 ATOM 1116 CA ARG 71 16.839 -37.027 42.930 1.00 32.05 ATOM 1117 HA ARG 71 17.521 -36.184 42.960 1.00 4.11 ATOM 1118 CB ARG 71 16.434 -37.388 44.361 1.00 74.23 ATOM 1119 HB1 ARG 71 17.143 -38.101 44.766 1.00 36.63 ATOM 1120 HB2 ARG 71 15.456 -37.853 44.351 1.00 73.21 ATOM 1121 CG ARG 71 16.405 -36.197 45.305 1.00 74.23 ATOM 1122 HG1 ARG 71 17.256 -35.557 45.109 1.00 36.63 ATOM 1123 HG2 ARG 71 16.457 -36.560 46.321 1.00 14.52 ATOM 1124 CD ARG 71 15.127 -35.388 45.142 1.00 64.23 ATOM 1125 HD1 ARG 71 14.291 -36.076 45.103 1.00 36.63 ATOM 1126 HD2 ARG 71 15.185 -34.836 44.217 1.00 34.04 ATOM 1127 NE ARG 71 14.930 -34.449 46.242 1.00 5.52 ATOM 1128 HE ARG 71 15.715 -34.207 46.787 1.00 41.21 ATOM 1129 CZ ARG 71 13.757 -33.902 46.541 1.00 21.42 ATOM 1130 NH1 ARG 71 12.682 -34.201 45.826 1.00 75.31 ATOM 1131 HH11 ARG 71 12.723 -34.831 45.055 1.00 42.32 ATOM 1132 HH12 ARG 71 11.801 -33.785 46.063 1.00 52.41 ATOM 1133 NH2 ARG 71 13.658 -33.056 47.558 1.00 12.21 ATOM 1134 HH21 ARG 71 14.467 -32.827 48.103 1.00 64.32 ATOM 1135 HH22 ARG 71 12.774 -32.642 47.785 1.00 35.33 ATOM 1136 C ARG 71 17.584 -38.195 42.291 1.00 2.02 ATOM 1137 O ARG 71 18.781 -38.376 42.513 1.00 23.31 ATOM 1138 N SER 72 16.867 -38.984 41.498 1.00 65.45 ATOM 1139 HN SER 72 15.914 -38.820 41.356 1.00 36.63 ATOM 1140 CA SER 72 17.460 -40.137 40.830 1.00 73.45 ATOM 1141 HA SER 72 18.509 -40.205 41.090 1.00 22.24 ATOM 1142 CB SER 72 16.768 -41.425 41.281 1.00 63.53 ATOM 1143 HB1 SER 72 15.886 -41.609 40.681 1.00 36.63 ATOM 1144 HB2 SER 72 16.474 -41.330 42.318 1.00 2.25 ATOM 1145 OG SER 72 17.638 -42.538 41.167 1.00 65.12 ATOM 1146 HG SER 72 18.237 -42.559 41.918 1.00 42.45 ATOM 1147 C SER 72 17.360 -39.997 39.314 1.00 71.44 ATOM 1148 O SER 72 16.917 -38.969 38.803 1.00 61.31 ATOM 1149 N GLU 73 17.775 -41.040 38.601 1.00 44.23 ATOM 1150 HN GLU 73 18.126 -41.839 39.062 1.00 36.63 ATOM 1151 CA GLU 73 17.734 -41.033 37.143 1.00 12.21 ATOM 1152 HA GLU 73 18.008 -40.044 36.795 1.00 34.23 ATOM 1153 CB GLU 73 18.736 -42.041 36.577 1.00 33.54 ATOM 1154 HB1 GLU 73 18.473 -43.031 36.925 1.00 36.63 ATOM 1155 HB2 GLU 73 19.711 -41.784 36.966 1.00 41.25 ATOM 1156 CG GLU 73 18.786 -42.063 35.059 1.00 71.31 ATOM 1157 HG1 GLU 73 18.543 -41.085 34.676 1.00 36.63 ATOM 1158 HG2 GLU 73 18.056 -42.774 34.702 1.00 2.11 ATOM 1159 CD GLU 73 20.147 -42.468 34.526 1.00 53.31 ATOM 1160 OE1 GLU 73 21.026 -42.808 35.344 1.00 5.04 ATOM 1161 OE2 GLU 73 20.332 -42.444 33.291 1.00 10.23 ATOM 1162 C GLU 73 16.331 -41.355 36.637 1.00 14.13 ATOM 1163 O GLU 73 15.826 -40.707 35.720 1.00 31.41 ATOM 1164 N SER 74 15.706 -42.361 37.242 1.00 3.41 ATOM 1165 HN SER 74 16.165 -42.854 37.963 1.00 36.63 ATOM 1166 CA SER 74 14.363 -42.772 36.851 1.00 63.41 ATOM 1167 HA SER 74 14.418 -43.185 35.854 1.00 10.44 ATOM 1168 CB SER 74 13.838 -43.847 37.805 1.00 2.11 ATOM 1169 HB1 SER 74 14.504 -44.698 37.782 1.00 36.63 ATOM 1170 HB2 SER 74 12.850 -44.158 37.495 1.00 74.51 ATOM 1171 OG SER 74 13.767 -43.359 39.134 1.00 44.35 ATOM 1172 HG SER 74 14.639 -43.389 39.537 1.00 65.13 ATOM 1173 C SER 74 13.412 -41.580 36.837 1.00 52.22 ATOM 1174 O SER 74 12.662 -41.383 35.882 1.00 53.35 ATOM 1175 N GLU 75 13.450 -40.788 37.904 1.00 53.11 ATOM 1176 HN GLU 75 14.073 -40.997 38.641 1.00 36.63 ATOM 1177 CA GLU 75 12.590 -39.615 38.015 1.00 63.12 ATOM 1178 HA GLU 75 11.570 -39.923 37.819 1.00 40.20 ATOM 1179 CB GLU 75 12.673 -39.026 39.425 1.00 61.14 ATOM 1180 HB1 GLU 75 12.351 -37.993 39.389 1.00 36.63 ATOM 1181 HB2 GLU 75 13.703 -39.055 39.755 1.00 3.15 ATOM 1182 CG GLU 75 11.830 -39.771 40.446 1.00 64.30 ATOM 1183 HG1 GLU 75 12.440 -40.534 40.906 1.00 36.63 ATOM 1184 HG2 GLU 75 10.987 -40.237 39.952 1.00 44.34 ATOM 1185 CD GLU 75 11.294 -38.862 41.535 1.00 61.14 ATOM 1186 OE1 GLU 75 11.171 -39.327 42.687 1.00 15.23 ATOM 1187 OE2 GLU 75 10.998 -37.687 41.234 1.00 11.24 ATOM 1188 C GLU 75 12.979 -38.557 36.986 1.00 15.10 ATOM 1189 O GLU 75 12.122 -37.850 36.454 1.00 40.31 ATOM 1190 N CYS 76 14.274 -38.454 36.712 1.00 62.41 ATOM 1191 HN CYS 76 14.919 -39.033 37.181 1.00 36.63 ATOM 1192 CA CYS 76 14.777 -37.482 35.748 1.00 1.11 ATOM 1193 HA CYS 76 14.439 -36.499 36.054 1.00 21.31 ATOM 1194 CB CYS 76 16.306 -37.508 35.716 1.00 71.51 ATOM 1195 HB1 CYS 76 16.659 -37.197 34.740 1.00 36.63 ATOM 1196 HB2 CYS 76 16.657 -38.506 35.910 1.00 22.24 ATOM 1197 SG CYS 76 17.089 -36.420 36.929 1.00 31.54 ATOM 1198 HG CYS 76 17.228 -35.224 36.376 1.00 22.22 ATOM 1199 C CYS 76 14.222 -37.760 34.355 1.00 41.00 ATOM 1200 O CYS 76 13.877 -36.836 33.616 1.00 25.44 ATOM 1201 N LEU 77 14.140 -39.038 34.001 1.00 14.31 ATOM 1202 HN LEU 77 14.433 -39.739 34.630 1.00 36.63 ATOM 1203 CA LEU 77 13.628 -39.438 32.695 1.00 32.41 ATOM 1204 HA LEU 77 14.020 -38.758 31.948 1.00 2.52 ATOM 1205 CB LEU 77 14.094 -40.855 32.356 1.00 72.25 ATOM 1206 HB1 LEU 77 13.567 -41.193 31.469 1.00 36.63 ATOM 1207 HB2 LEU 77 13.800 -41.493 33.181 1.00 22.12 ATOM 1208 CG LEU 77 15.595 -41.030 32.120 1.00 55.20 ATOM 1209 HG LEU 77 16.142 -40.476 32.871 1.00 54.32 ATOM 1210 CD1 LEU 77 15.988 -42.494 32.245 1.00 53.54 ATOM 1211 HD11 LEU 77 17.055 -42.597 32.099 1.00 30.14 ATOM 1212 HD12 LEU 77 15.466 -43.078 31.499 1.00 13.25 ATOM 1213 HD13 LEU 77 15.728 -42.856 33.230 1.00 21.31 ATOM 1214 CD2 LEU 77 15.987 -40.485 30.754 1.00 0.45 ATOM 1215 HD21 LEU 77 15.806 -39.424 30.735 1.00 54.01 ATOM 1216 HD22 LEU 77 15.391 -40.963 29.988 1.00 31.21 ATOM 1217 HD23 LEU 77 17.027 -40.679 30.561 1.00 73.12 ATOM 1218 C LEU 77 12.104 -39.371 32.663 1.00 3.51 ATOM 1219 O LEU 77 11.502 -39.207 31.602 1.00 44.51 ATOM 1220 N SER 78 11.487 -39.496 33.833 1.00 13.24 ATOM 1221 HN SER 78 12.014 -39.652 34.648 1.00 36.63 ATOM 1222 CA SER 78 10.033 -39.450 33.939 1.00 21.34 ATOM 1223 HA SER 78 9.628 -40.266 33.355 1.00 14.31 ATOM 1224 CB SER 78 9.601 -39.620 35.397 1.00 4.33 ATOM 1225 HB1 SER 78 8.747 -38.991 35.618 1.00 36.63 ATOM 1226 HB2 SER 78 10.410 -39.358 36.048 1.00 2.45 ATOM 1227 OG SER 78 9.244 -40.963 35.671 1.00 71.44 ATOM 1228 HG SER 78 8.351 -41.131 35.357 1.00 20.21 ATOM 1229 C SER 78 9.489 -38.137 33.385 1.00 32.22 ATOM 1230 O SER 78 8.487 -38.120 32.672 1.00 52.02 ATOM 1231 N ASN 79 10.158 -37.039 33.720 1.00 52.52 ATOM 1232 HN ASN 79 10.946 -37.111 34.310 1.00 36.63 ATOM 1233 CA ASN 79 9.742 -35.720 33.257 1.00 52.42 ATOM 1234 HA ASN 79 8.788 -35.493 33.713 1.00 20.14 ATOM 1235 CB ASN 79 10.772 -34.665 33.665 1.00 40.42 ATOM 1236 HB1 ASN 79 10.644 -33.807 33.046 1.00 36.63 ATOM 1237 HB2 ASN 79 11.764 -35.064 33.529 1.00 55.11 ATOM 1238 CG ASN 79 10.606 -34.221 35.106 1.00 61.44 ATOM 1239 OD1 ASN 79 9.492 -34.170 35.627 1.00 71.44 ATOM 1240 ND2 ASN 79 11.717 -33.898 35.757 1.00 44.24 ATOM 1241 HD21 ASN 79 12.581 -33.958 35.289 1.00 63.22 ATOM 1242 HD22 ASN 79 11.632 -33.612 36.688 1.00 62.54 ATOM 1243 C ASN 79 9.558 -35.708 31.742 1.00 11.23 ATOM 1244 O ASN 79 8.529 -35.259 31.235 1.00 23.14 ATOM 1245 N ILE 80 10.561 -36.204 31.026 1.00 31.21 ATOM 1246 HN ILE 80 11.347 -36.574 31.493 1.00 36.63 ATOM 1247 CA ILE 80 10.509 -36.252 29.570 1.00 31.42 ATOM 1248 HA ILE 80 10.277 -35.256 29.207 1.00 24.23 ATOM 1249 CB ILE 80 11.862 -36.681 28.972 1.00 31.34 ATOM 1250 HB ILE 80 12.070 -37.677 29.316 1.00 34.21 ATOM 1251 CG1 ILE 80 12.975 -35.747 29.451 1.00 30.14 ATOM 1252 HG11 ILE 80 12.914 -35.618 30.521 1.00 36.63 ATOM 1253 HG12 ILE 80 12.868 -34.782 28.983 1.00 60.04 ATOM 1254 CG2 ILE 80 11.790 -36.693 27.453 1.00 53.42 ATOM 1255 HG21 ILE 80 11.313 -35.787 27.100 1.00 40.11 ATOM 1256 HG22 ILE 80 11.220 -37.548 27.123 1.00 2.44 ATOM 1257 HG23 ILE 80 12.780 -36.752 27.030 1.00 75.35 ATOM 1258 CD1 ILE 80 14.366 -36.261 29.152 1.00 32.10 ATOM 1259 HD11 ILE 80 14.544 -36.221 28.097 1.00 74.00 ATOM 1260 HD12 ILE 80 14.461 -37.282 29.496 1.00 64.45 ATOM 1261 HD13 ILE 80 15.092 -35.644 29.661 1.00 60.31 ATOM 1262 C ILE 80 9.426 -37.213 29.090 1.00 23.13 ATOM 1263 O ILE 80 8.766 -36.966 28.081 1.00 64.53 ATOM 1264 N ARG 81 9.248 -38.308 29.822 1.00 61.32 ATOM 1265 HN ARG 81 9.813 -38.462 30.615 1.00 36.63 ATOM 1266 CA ARG 81 8.245 -39.306 29.471 1.00 32.34 ATOM 1267 HA ARG 81 8.416 -39.610 28.452 1.00 33.31 ATOM 1268 CB ARG 81 8.371 -40.529 30.382 1.00 62.11 ATOM 1269 HB1 ARG 81 7.806 -40.369 31.293 1.00 36.63 ATOM 1270 HB2 ARG 81 9.416 -40.650 30.645 1.00 20.01 ATOM 1271 CG ARG 81 7.886 -41.819 29.740 1.00 4.13 ATOM 1272 HG1 ARG 81 8.140 -41.819 28.689 1.00 36.63 ATOM 1273 HG2 ARG 81 6.813 -41.879 29.849 1.00 72.32 ATOM 1274 CD ARG 81 8.511 -43.038 30.400 1.00 63.32 ATOM 1275 HD1 ARG 81 8.186 -43.072 31.431 1.00 36.63 ATOM 1276 HD2 ARG 81 9.590 -42.949 30.374 1.00 61.15 ATOM 1277 NE ARG 81 8.110 -44.281 29.745 1.00 42.41 ATOM 1278 HE ARG 81 7.457 -44.847 30.213 1.00 74.02 ATOM 1279 CZ ARG 81 8.579 -44.674 28.566 1.00 75.22 ATOM 1280 NH1 ARG 81 9.460 -43.927 27.916 1.00 40.11 ATOM 1281 HH11 ARG 81 9.796 -43.067 28.286 1.00 31.22 ATOM 1282 HH12 ARG 81 9.801 -44.233 27.024 1.00 60.23 ATOM 1283 NH2 ARG 81 8.165 -45.818 28.035 1.00 44.23 ATOM 1284 HH21 ARG 81 7.499 -46.387 28.521 1.00 41.11 ATOM 1285 HH22 ARG 81 8.517 -46.117 27.146 1.00 22.14 ATOM 1286 C ARG 81 6.838 -38.724 29.577 1.00 45.44 ATOM 1287 O ARG 81 6.001 -38.939 28.701 1.00 12.43 ATOM 1288 N GLU 82 6.588 -37.986 30.654 1.00 70.11 ATOM 1289 HN GLU 82 7.296 -37.862 31.327 1.00 36.63 ATOM 1290 CA GLU 82 5.283 -37.374 30.873 1.00 33.23 ATOM 1291 HA GLU 82 4.559 -38.172 30.978 1.00 23.51 ATOM 1292 CB GLU 82 5.301 -36.524 32.145 1.00 13.12 ATOM 1293 HB1 GLU 82 4.942 -35.526 31.925 1.00 36.63 ATOM 1294 HB2 GLU 82 6.313 -36.441 32.517 1.00 12.53 ATOM 1295 CG GLU 82 4.433 -37.080 33.262 1.00 62.43 ATOM 1296 HG1 GLU 82 3.425 -37.208 32.892 1.00 36.63 ATOM 1297 HG2 GLU 82 4.427 -36.374 34.079 1.00 2.11 ATOM 1298 CD GLU 82 4.936 -38.413 33.782 1.00 31.10 ATOM 1299 OE1 GLU 82 5.960 -38.422 34.497 1.00 42.13 ATOM 1300 OE2 GLU 82 4.306 -39.446 33.475 1.00 60.43 ATOM 1301 C GLU 82 4.877 -36.515 29.679 1.00 2.44 ATOM 1302 O GLU 82 3.793 -36.681 29.120 1.00 1.11 ATOM 1303 N PHE 83 5.756 -35.595 29.295 1.00 53.42 ATOM 1304 HN PHE 83 6.609 -35.508 29.786 1.00 36.63 ATOM 1305 CA PHE 83 5.490 -34.707 28.169 1.00 74.14 ATOM 1306 HA PHE 83 4.666 -34.063 28.440 1.00 51.52 ATOM 1307 CB PHE 83 6.717 -33.843 27.872 1.00 62.45 ATOM 1308 HB1 PHE 83 7.580 -34.488 27.764 1.00 36.63 ATOM 1309 HB2 PHE 83 6.885 -33.177 28.709 1.00 10.41 ATOM 1310 CG PHE 83 6.581 -33.016 26.625 1.00 34.14 ATOM 1311 CD1 PHE 83 6.997 -33.511 25.400 1.00 35.31 ATOM 1312 HD1 PHE 83 7.423 -34.503 25.342 1.00 3.43 ATOM 1313 CD2 PHE 83 6.037 -31.743 26.680 1.00 52.24 ATOM 1314 HD2 PHE 83 5.701 -31.350 27.625 1.00 15.13 ATOM 1315 CE1 PHE 83 6.872 -32.753 24.251 1.00 10.33 ATOM 1316 HE1 PHE 83 7.198 -33.150 23.306 1.00 52.11 ATOM 1317 CE2 PHE 83 5.909 -30.980 25.534 1.00 4.22 ATOM 1318 HE2 PHE 83 5.488 -29.990 25.594 1.00 44.33 ATOM 1319 CZ PHE 83 6.329 -31.485 24.319 1.00 55.21 ATOM 1320 HZ PHE 83 6.231 -30.891 23.423 1.00 53.23 ATOM 1321 C PHE 83 5.103 -35.505 26.927 1.00 74.11 ATOM 1322 O PHE 83 4.267 -35.073 26.132 1.00 14.54 ATOM 1323 N LEU 84 5.717 -36.672 26.766 1.00 53.00 ATOM 1324 HN LEU 84 6.389 -36.967 27.424 1.00 36.63 ATOM 1325 CA LEU 84 5.438 -37.532 25.621 1.00 51.21 ATOM 1326 HA LEU 84 5.351 -36.911 24.737 1.00 61.42 ATOM 1327 CB LEU 84 6.586 -38.521 25.409 1.00 14.32 ATOM 1328 HB1 LEU 84 6.366 -39.120 24.533 1.00 36.63 ATOM 1329 HB2 LEU 84 6.600 -39.184 26.269 1.00 11.51 ATOM 1330 CG LEU 84 7.979 -37.909 25.255 1.00 34.33 ATOM 1331 HG LEU 84 8.066 -37.040 25.885 1.00 44.22 ATOM 1332 CD1 LEU 84 9.048 -38.903 25.682 1.00 12.15 ATOM 1333 HD11 LEU 84 8.881 -39.855 25.201 1.00 35.51 ATOM 1334 HD12 LEU 84 9.007 -39.031 26.744 1.00 62.02 ATOM 1335 HD13 LEU 84 10.028 -38.532 25.410 1.00 32.14 ATOM 1336 CD2 LEU 84 8.208 -37.460 23.820 1.00 63.34 ATOM 1337 HD21 LEU 84 7.514 -37.946 23.151 1.00 11.12 ATOM 1338 HD22 LEU 84 9.215 -37.695 23.516 1.00 62.02 ATOM 1339 HD23 LEU 84 8.064 -36.391 23.760 1.00 54.54 ATOM 1340 C LEU 84 4.128 -38.289 25.815 1.00 61.13 ATOM 1341 O LEU 84 3.463 -38.657 24.846 1.00 23.11 ATOM 1342 N ARG 85 3.763 -38.517 27.072 1.00 14.50 ATOM 1343 HN ARG 85 4.344 -38.237 27.805 1.00 36.63 ATOM 1344 CA ARG 85 2.532 -39.229 27.393 1.00 53.12 ATOM 1345 HA ARG 85 2.439 -40.058 26.705 1.00 15.20 ATOM 1346 CB ARG 85 2.580 -39.753 28.829 1.00 24.50 ATOM 1347 HB1 ARG 85 2.175 -39.009 29.504 1.00 36.63 ATOM 1348 HB2 ARG 85 3.613 -39.933 29.105 1.00 34.30 ATOM 1349 CG ARG 85 1.804 -41.044 29.033 1.00 63.44 ATOM 1350 HG1 ARG 85 0.810 -40.930 28.621 1.00 36.63 ATOM 1351 HG2 ARG 85 1.730 -41.242 30.093 1.00 50.31 ATOM 1352 CD ARG 85 2.489 -42.219 28.352 1.00 70.31 ATOM 1353 HD1 ARG 85 2.977 -41.902 27.442 1.00 36.63 ATOM 1354 HD2 ARG 85 1.721 -42.938 28.105 1.00 64.15 ATOM 1355 NE ARG 85 3.475 -42.857 29.221 1.00 54.21 ATOM 1356 HE ARG 85 3.797 -42.350 30.003 1.00 32.33 ATOM 1357 CZ ARG 85 3.961 -44.075 29.010 1.00 4.44 ATOM 1358 NH1 ARG 85 3.556 -44.783 27.965 1.00 3.41 ATOM 1359 HH11 ARG 85 2.888 -44.425 27.317 1.00 2.01 ATOM 1360 HH12 ARG 85 3.928 -45.702 27.818 1.00 4.12 ATOM 1361 NH2 ARG 85 4.856 -44.586 29.846 1.00 31.52 ATOM 1362 HH21 ARG 85 5.167 -44.055 30.637 1.00 11.31 ATOM 1363 HH22 ARG 85 5.225 -45.505 29.690 1.00 14.00 ATOM 1364 C ARG 85 1.317 -38.324 27.211 1.00 13.25 ATOM 1365 O ARG 85 0.251 -38.775 26.794 1.00 12.41 ATOM 1366 N GLY 86 1.486 -37.044 27.529 1.00 12.31 ATOM 1367 HN GLY 86 2.348 -36.726 27.876 1.00 36.63 ATOM 1368 CA GLY 86 0.395 -36.096 27.395 1.00 0.12 ATOM 1369 HA1 GLY 86 0.615 -35.234 27.992 1.00 36.63 ATOM 1370 HA2 GLY 86 -0.520 -36.543 27.765 1.00 62.22 ATOM 1371 C GLY 86 0.179 -35.659 25.960 1.00 63.22 ATOM 1372 O GLY 86 -0.927 -35.770 25.430 1.00 62.43 ATOM 1373 N CYS 87 1.237 -35.160 25.330 1.00 52.11 ATOM 1374 HN CYS 87 2.098 -35.094 25.810 1.00 36.63 ATOM 1375 CA CYS 87 1.157 -34.702 23.947 1.00 24.12 ATOM 1376 HA CYS 87 0.492 -33.849 23.918 1.00 63.55 ATOM 1377 CB CYS 87 2.542 -34.293 23.443 1.00 2.34 ATOM 1378 HB1 CYS 87 2.613 -34.459 22.380 1.00 36.63 ATOM 1379 HB2 CYS 87 3.292 -34.893 23.932 1.00 15.13 ATOM 1380 SG CYS 87 2.954 -32.558 23.744 1.00 11.10 ATOM 1381 HG CYS 87 1.834 -31.855 23.668 1.00 24.53 ATOM 1382 C CYS 87 0.576 -35.788 23.048 1.00 41.14 ATOM 1383 O CYS 87 -0.172 -35.500 22.114 1.00 30.43 ATOM 1384 N GLY 88 0.927 -37.038 23.334 1.00 4.14 ATOM 1385 HN GLY 88 1.541 -37.225 24.078 1.00 36.63 ATOM 1386 CA GLY 88 0.433 -38.148 22.541 1.00 10.10 ATOM 1387 HA1 GLY 88 1.145 -38.957 22.608 1.00 36.63 ATOM 1388 HA2 GLY 88 0.352 -37.850 21.506 1.00 3.12 ATOM 1389 C GLY 88 -0.912 -38.653 23.025 1.00 23.12 ATOM 1390 O GLY 88 -1.579 -39.422 22.334 1.00 51.33 ATOM 1391 N ALA 89 -1.310 -38.222 24.217 1.00 3.45 ATOM 1392 HN ALA 89 -0.738 -37.635 24.734 1.00 36.63 ATOM 1393 CA ALA 89 -2.583 -38.635 24.793 1.00 15.22 ATOM 1394 HA ALA 89 -2.695 -39.704 24.651 1.00 62.20 ATOM 1395 CB ALA 89 -2.599 -38.362 26.290 1.00 32.41 ATOM 1396 HB1 ALA 89 -2.154 -37.406 26.499 1.00 41.34 ATOM 1397 HB2 ALA 89 -2.047 -39.135 26.797 1.00 4.42 ATOM 1398 HB3 ALA 89 -3.618 -38.368 26.657 1.00 73.54 ATOM 1399 C ALA 89 -3.749 -37.926 24.112 1.00 34.03 ATOM 1400 O ALA 89 -4.646 -38.569 23.566 1.00 22.24 ATOM 1401 N SER 90 -3.731 -36.597 24.149 1.00 32.50 ATOM 1402 HN SER 90 -2.977 -36.134 24.586 1.00 36.63 ATOM 1403 CA SER 90 -4.790 -35.801 23.539 1.00 23.32 ATOM 1404 HA SER 90 -5.698 -36.392 23.498 1.00 45.34 ATOM 1405 CB SER 90 -5.067 -34.554 24.380 1.00 54.30 ATOM 1406 HB1 SER 90 -4.218 -33.886 24.351 1.00 36.63 ATOM 1407 HB2 SER 90 -5.247 -34.853 25.402 1.00 61.01 ATOM 1408 OG SER 90 -6.212 -33.865 23.908 1.00 50.34 ATOM 1409 HG SER 90 -5.974 -33.325 23.150 1.00 23.11 ATOM 1410 C SER 90 -4.414 -35.397 22.117 1.00 53.32 ATOM 1411 O SER 90 -5.064 -35.802 21.152 1.00 43.34 ATOM 1412 N LEU 91 -3.362 -34.595 21.995 1.00 60.31 ATOM 1413 HN LEU 91 -2.868 -34.320 22.802 1.00 36.63 ATOM 1414 CA LEU 91 -2.898 -34.134 20.691 1.00 72.52 ATOM 1415 HA LEU 91 -3.703 -33.579 20.227 1.00 22.12 ATOM 1416 CB LEU 91 -1.681 -33.222 20.854 1.00 54.25 ATOM 1417 HB1 LEU 91 -0.987 -33.428 20.051 1.00 36.63 ATOM 1418 HB2 LEU 91 -1.194 -33.474 21.784 1.00 1.14 ATOM 1419 CG LEU 91 -1.965 -31.719 20.857 1.00 71.35 ATOM 1420 HG LEU 91 -2.911 -31.531 21.347 1.00 21.20 ATOM 1421 CD1 LEU 91 -0.889 -30.975 21.632 1.00 54.51 ATOM 1422 HD11 LEU 91 0.071 -31.118 21.156 1.00 74.13 ATOM 1423 HD12 LEU 91 -0.846 -31.351 22.645 1.00 21.35 ATOM 1424 HD13 LEU 91 -1.124 -29.920 21.655 1.00 54.35 ATOM 1425 CD2 LEU 91 -2.060 -31.192 19.432 1.00 14.33 ATOM 1426 HD21 LEU 91 -2.224 -30.123 19.446 1.00 23.34 ATOM 1427 HD22 LEU 91 -2.886 -31.671 18.926 1.00 21.45 ATOM 1428 HD23 LEU 91 -1.144 -31.409 18.903 1.00 3.14 ATOM 1429 C LEU 91 -2.546 -35.314 19.790 1.00 75.10 ATOM 1430 O LEU 91 -2.661 -35.230 18.567 1.00 11.31 ATOM 1431 N ARG 92 -2.120 -36.413 20.403 1.00 61.41 ATOM 1432 HN ARG 92 -2.009 -36.430 21.378 1.00 36.63 ATOM 1433 CA ARG 92 -1.753 -37.611 19.656 1.00 4.34 ATOM 1434 HA ARG 92 -1.286 -38.289 20.337 1.00 14.54 ATOM 1435 CB ARG 92 -2.998 -38.262 19.051 1.00 25.23 ATOM 1436 HB1 ARG 92 -3.138 -37.941 18.026 1.00 36.63 ATOM 1437 HB2 ARG 92 -3.861 -37.935 19.621 1.00 45.43 ATOM 1438 CG ARG 92 -2.980 -39.781 19.110 1.00 3.11 ATOM 1439 HG1 ARG 92 -3.990 -40.126 19.285 1.00 36.63 ATOM 1440 HG2 ARG 92 -2.345 -40.117 19.920 1.00 34.31 ATOM 1441 CD ARG 92 -2.477 -40.383 17.807 1.00 3.14 ATOM 1442 HD1 ARG 92 -1.397 -40.407 17.843 1.00 36.63 ATOM 1443 HD2 ARG 92 -2.796 -39.772 16.971 1.00 32.14 ATOM 1444 NE ARG 92 -2.978 -41.739 17.601 1.00 13.04 ATOM 1445 HE ARG 92 -3.682 -42.068 18.208 1.00 42.14 ATOM 1446 CZ ARG 92 -2.541 -42.547 16.642 1.00 44.41 ATOM 1447 NH1 ARG 92 -1.597 -42.137 15.805 1.00 32.12 ATOM 1448 HH11 ARG 92 -1.199 -41.224 15.874 1.00 64.34 ATOM 1449 HH12 ARG 92 -1.272 -42.754 15.085 1.00 15.33 ATOM 1450 NH2 ARG 92 -3.046 -43.767 16.518 1.00 34.14 ATOM 1451 HH21 ARG 92 -3.759 -44.083 17.147 1.00 25.45 ATOM 1452 HH22 ARG 92 -2.717 -44.378 15.794 1.00 25.01 ATOM 1453 C ARG 92 -0.752 -37.278 18.553 1.00 14.01 ATOM 1454 O ARG 92 -0.829 -37.816 17.448 1.00 53.24 ATOM 1455 N LEU 93 0.185 -36.388 18.860 1.00 30.24 ATOM 1456 HN LEU 93 0.221 -36.009 19.770 1.00 36.63 ATOM 1457 CA LEU 93 1.201 -35.983 17.895 1.00 12.20 ATOM 1458 HA LEU 93 0.782 -36.046 16.897 1.00 22.24 ATOM 1459 CB LEU 93 1.624 -34.535 18.148 1.00 55.43 ATOM 1460 HB1 LEU 93 0.721 -33.940 18.131 1.00 36.63 ATOM 1461 HB2 LEU 93 2.235 -34.215 17.314 1.00 25.11 ATOM 1462 CG LEU 93 2.369 -34.272 19.457 1.00 40.44 ATOM 1463 HG LEU 93 2.376 -35.167 20.067 1.00 61.53 ATOM 1464 CD1 LEU 93 3.816 -33.894 19.180 1.00 20.12 ATOM 1465 HD11 LEU 93 4.255 -34.587 18.491 1.00 70.51 ATOM 1466 HD12 LEU 93 4.373 -33.911 20.104 1.00 32.35 ATOM 1467 HD13 LEU 93 3.859 -32.898 18.756 1.00 35.41 ATOM 1468 CD2 LEU 93 1.674 -33.179 20.256 1.00 42.11 ATOM 1469 HD21 LEU 93 2.394 -32.648 20.864 1.00 0.54 ATOM 1470 HD22 LEU 93 0.951 -33.634 20.906 1.00 60.01 ATOM 1471 HD23 LEU 93 1.179 -32.474 19.599 1.00 74.15 ATOM 1472 C LEU 93 2.418 -36.900 17.968 1.00 54.24 ATOM 1473 O LEU 93 2.421 -37.885 18.705 1.00 54.03 ATOM 1474 N GLU 94 3.450 -36.567 17.199 1.00 10.30 ATOM 1475 HN GLU 94 3.363 -35.806 16.584 1.00 36.63 ATOM 1476 CA GLU 94 4.673 -37.360 17.178 1.00 22.20 ATOM 1477 HA GLU 94 4.410 -38.378 16.919 1.00 62.44 ATOM 1478 CB GLU 94 5.640 -36.820 16.122 1.00 11.11 ATOM 1479 HB1 GLU 94 5.178 -36.939 15.151 1.00 36.63 ATOM 1480 HB2 GLU 94 6.555 -37.399 16.146 1.00 31.42 ATOM 1481 CG GLU 94 5.994 -35.355 16.314 1.00 50.20 ATOM 1482 HG1 GLU 94 6.715 -35.277 17.114 1.00 36.63 ATOM 1483 HG2 GLU 94 5.114 -34.792 16.572 1.00 43.45 ATOM 1484 CD GLU 94 6.588 -34.730 15.067 1.00 62.14 ATOM 1485 OE1 GLU 94 5.934 -34.790 14.005 1.00 55.44 ATOM 1486 OE2 GLU 94 7.707 -34.182 15.152 1.00 60.41 ATOM 1487 C GLU 94 5.346 -37.359 18.548 1.00 41.14 ATOM 1488 O GLU 94 5.073 -36.500 19.386 1.00 13.54 ATOM 1489 N THR 95 6.228 -38.329 18.768 1.00 2.11 ATOM 1490 HN THR 95 6.398 -38.999 18.064 1.00 36.63 ATOM 1491 CA THR 95 6.939 -38.442 20.035 1.00 3.22 ATOM 1492 HA THR 95 7.049 -37.452 20.469 1.00 14.22 ATOM 1493 CB THR 95 6.172 -39.331 21.033 1.00 44.45 ATOM 1494 HB THR 95 6.797 -39.563 21.882 1.00 73.43 ATOM 1495 OG1 THR 95 5.790 -40.558 20.401 1.00 14.43 ATOM 1496 HG1 THR 95 6.537 -41.162 20.391 1.00 43.22 ATOM 1497 CG2 THR 95 4.935 -38.615 21.554 1.00 23.54 ATOM 1498 HG21 THR 95 4.224 -38.490 20.753 1.00 44.24 ATOM 1499 HG22 THR 95 5.209 -37.646 21.948 1.00 63.41 ATOM 1500 HG23 THR 95 4.487 -39.205 22.340 1.00 62.13 ATOM 1501 C THR 95 8.337 -39.015 19.832 1.00 2.10 ATOM 1502 O THR 95 8.748 -39.290 18.705 1.00 63.34 ATOM 1503 N PHE 96 9.064 -39.193 20.930 1.00 31.22 ATOM 1504 HN PHE 96 8.706 -38.942 21.792 1.00 36.63 ATOM 1505 CA PHE 96 10.417 -39.734 20.872 1.00 10.22 ATOM 1506 HA PHE 96 10.450 -40.501 20.108 1.00 60.03 ATOM 1507 CB PHE 96 11.414 -38.632 20.508 1.00 1.24 ATOM 1508 HB1 PHE 96 11.115 -38.209 19.561 1.00 36.63 ATOM 1509 HB2 PHE 96 12.403 -39.058 20.401 1.00 24.25 ATOM 1510 CG PHE 96 11.468 -37.517 21.513 1.00 3.22 ATOM 1511 CD1 PHE 96 10.499 -36.527 21.522 1.00 33.15 ATOM 1512 HD1 PHE 96 9.695 -36.559 20.799 1.00 13.04 ATOM 1513 CD2 PHE 96 12.489 -37.458 22.448 1.00 21.13 ATOM 1514 HD2 PHE 96 13.253 -38.216 22.446 1.00 11.14 ATOM 1515 CE1 PHE 96 10.545 -35.500 22.446 1.00 3.31 ATOM 1516 HE1 PHE 96 9.787 -34.738 22.447 1.00 64.55 ATOM 1517 CE2 PHE 96 12.541 -36.434 23.374 1.00 13.45 ATOM 1518 HE2 PHE 96 13.336 -36.404 24.097 1.00 52.23 ATOM 1519 CZ PHE 96 11.568 -35.453 23.373 1.00 44.54 ATOM 1520 HZ PHE 96 11.607 -34.652 24.096 1.00 23.34 ATOM 1521 C PHE 96 10.807 -40.369 22.204 1.00 54.50 ATOM 1522 O PHE 96 10.031 -40.357 23.160 1.00 71.21 ATOM 1523 N ASP 97 12.013 -40.922 22.258 1.00 2.31 ATOM 1524 HN ASP 97 12.593 -40.905 21.461 1.00 36.63 ATOM 1525 CA ASP 97 12.507 -41.561 23.472 1.00 63.30 ATOM 1526 HA ASP 97 11.650 -41.982 23.989 1.00 72.33 ATOM 1527 CB ASP 97 13.482 -42.686 23.121 1.00 45.03 ATOM 1528 HB1 ASP 97 14.483 -42.295 23.034 1.00 36.63 ATOM 1529 HB2 ASP 97 13.195 -43.130 22.178 1.00 11.42 ATOM 1530 CG ASP 97 13.501 -43.784 24.166 1.00 53.01 ATOM 1531 OD1 ASP 97 14.317 -44.720 24.030 1.00 55.13 ATOM 1532 OD2 ASP 97 12.700 -43.707 25.121 1.00 53.14 ATOM 1533 C ASP 97 13.190 -40.545 24.382 1.00 21.12 ATOM 1534 O ASP 97 14.054 -39.786 23.944 1.00 73.14 ATOM 1535 N ALA 98 12.796 -40.536 25.651 1.00 33.33 ATOM 1536 HN ALA 98 12.097 -41.169 25.945 1.00 36.63 ATOM 1537 CA ALA 98 13.370 -39.614 26.623 1.00 21.33 ATOM 1538 HA ALA 98 13.136 -38.619 26.305 1.00 22.13 ATOM 1539 CB ALA 98 12.756 -39.845 27.996 1.00 2.12 ATOM 1540 HB1 ALA 98 13.295 -39.278 28.743 1.00 11.13 ATOM 1541 HB2 ALA 98 12.807 -40.896 28.239 1.00 51.40 ATOM 1542 HB3 ALA 98 11.723 -39.530 27.984 1.00 13.00 ATOM 1543 C ALA 98 14.887 -39.760 26.689 1.00 74.04 ATOM 1544 O ALA 98 15.610 -38.772 26.811 1.00 74.34 ATOM 1545 N ASN 99 15.362 -40.999 26.607 1.00 15.32 ATOM 1546 HN ASN 99 14.732 -41.750 26.511 1.00 36.63 ATOM 1547 CA ASN 99 16.793 -41.273 26.658 1.00 31.45 ATOM 1548 HA ASN 99 17.151 -40.999 27.640 1.00 0.42 ATOM 1549 CB ASN 99 17.056 -42.764 26.433 1.00 13.23 ATOM 1550 HB1 ASN 99 18.114 -42.960 26.536 1.00 36.63 ATOM 1551 HB2 ASN 99 16.738 -43.038 25.436 1.00 25.41 ATOM 1552 CG ASN 99 16.311 -43.638 27.424 1.00 61.24 ATOM 1553 OD1 ASN 99 15.341 -44.309 27.070 1.00 41.32 ATOM 1554 ND2 ASN 99 16.763 -43.635 28.672 1.00 11.54 ATOM 1555 HD21 ASN 99 17.543 -43.080 28.898 1.00 4.21 ATOM 1556 HD22 ASN 99 16.295 -44.193 29.327 1.00 35.40 ATOM 1557 C ASN 99 17.542 -40.450 25.615 1.00 25.24 ATOM 1558 O ASN 99 18.675 -40.024 25.843 1.00 51.04 ATOM 1559 N ASP 100 16.903 -40.230 24.472 1.00 33.12 ATOM 1560 HN ASP 100 16.005 -40.611 24.334 1.00 36.63 ATOM 1561 CA ASP 100 17.508 -39.456 23.394 1.00 35.41 ATOM 1562 HA ASP 100 18.461 -39.907 23.146 1.00 42.14 ATOM 1563 CB ASP 100 16.612 -39.483 22.154 1.00 24.02 ATOM 1564 HB1 ASP 100 17.062 -38.897 21.372 1.00 36.63 ATOM 1565 HB2 ASP 100 15.655 -39.054 22.398 1.00 12.45 ATOM 1566 CG ASP 100 16.387 -40.889 21.633 1.00 13.32 ATOM 1567 OD1 ASP 100 17.331 -41.704 21.695 1.00 2.32 ATOM 1568 OD2 ASP 100 15.265 -41.174 21.164 1.00 23.21 ATOM 1569 C ASP 100 17.751 -38.015 23.830 1.00 0.01 ATOM 1570 O ASP 100 18.685 -37.363 23.362 1.00 41.23 ATOM 1571 N LEU 101 16.905 -37.523 24.728 1.00 32.12 ATOM 1572 HN LEU 101 16.167 -38.075 25.059 1.00 36.63 ATOM 1573 CA LEU 101 17.027 -36.158 25.227 1.00 0.23 ATOM 1574 HA LEU 101 17.466 -35.543 24.450 1.00 12.53 ATOM 1575 CB LEU 101 15.647 -35.594 25.571 1.00 41.13 ATOM 1576 HB1 LEU 101 15.146 -36.303 26.205 1.00 36.63 ATOM 1577 HB2 LEU 101 15.096 -35.515 24.655 1.00 3.12 ATOM 1578 CG LEU 101 15.632 -34.228 26.258 1.00 42.14 ATOM 1579 HG LEU 101 16.071 -34.316 27.241 1.00 11.14 ATOM 1580 CD1 LEU 101 16.454 -33.223 25.465 1.00 0.04 ATOM 1581 HD11 LEU 101 16.059 -33.130 24.468 1.00 1.53 ATOM 1582 HD12 LEU 101 17.477 -33.549 25.414 1.00 50.24 ATOM 1583 HD13 LEU 101 16.423 -32.266 25.953 1.00 64.33 ATOM 1584 CD2 LEU 101 14.204 -33.733 26.430 1.00 35.33 ATOM 1585 HD21 LEU 101 13.673 -34.397 27.090 1.00 34.32 ATOM 1586 HD22 LEU 101 13.709 -33.716 25.469 1.00 4.54 ATOM 1587 HD23 LEU 101 14.201 -32.744 26.839 1.00 73.52 ATOM 1588 C LEU 101 17.930 -36.106 26.455 1.00 2.43 ATOM 1589 O LEU 101 18.817 -35.257 26.551 1.00 62.05 ATOM 1590 N TYR 102 17.700 -37.019 27.392 1.00 70.24 ATOM 1591 HN TYR 102 16.973 -37.672 27.263 1.00 36.63 ATOM 1592 CA TYR 102 18.493 -37.077 28.614 1.00 33.40 ATOM 1593 HA TYR 102 18.434 -36.106 29.078 1.00 3.20 ATOM 1594 CB TYR 102 17.933 -38.141 29.560 1.00 72.44 ATOM 1595 HB1 TYR 102 18.213 -39.128 29.207 1.00 36.63 ATOM 1596 HB2 TYR 102 16.856 -38.063 29.558 1.00 61.01 ATOM 1597 CG TYR 102 18.394 -37.983 30.991 1.00 44.13 ATOM 1598 CD1 TYR 102 18.369 -36.742 31.616 1.00 61.30 ATOM 1599 HD1 TYR 102 18.009 -35.880 31.075 1.00 43.23 ATOM 1600 CD2 TYR 102 18.857 -39.073 31.717 1.00 32.22 ATOM 1601 HD2 TYR 102 18.893 -40.045 31.249 1.00 2.22 ATOM 1602 CE1 TYR 102 18.790 -36.592 32.923 1.00 25.41 ATOM 1603 HE1 TYR 102 18.762 -35.619 33.391 1.00 2.13 ATOM 1604 CE2 TYR 102 19.279 -38.933 33.025 1.00 13.11 ATOM 1605 HE2 TYR 102 19.642 -39.788 33.568 1.00 43.34 ATOM 1606 CZ TYR 102 19.244 -37.691 33.624 1.00 51.35 ATOM 1607 OH TYR 102 19.665 -37.547 34.926 1.00 53.43 ATOM 1608 HH TYR 102 20.624 -37.611 34.968 1.00 73.25 ATOM 1609 C TYR 102 19.955 -37.378 28.301 1.00 23.01 ATOM 1610 O TYR 102 20.858 -36.706 28.799 1.00 51.32 ATOM 1611 N GLN 103 20.180 -38.393 27.472 1.00 11.44 ATOM 1612 HN GLN 103 19.416 -38.892 27.097 1.00 36.63 ATOM 1613 CA GLN 103 21.532 -38.783 27.092 1.00 4.14 ATOM 1614 HA GLN 103 22.183 -38.650 27.948 1.00 21.33 ATOM 1615 CB GLN 103 21.565 -40.256 26.683 1.00 33.52 ATOM 1616 HB1 GLN 103 22.582 -40.527 26.424 1.00 36.63 ATOM 1617 HB2 GLN 103 20.946 -40.391 25.815 1.00 43.42 ATOM 1618 CG GLN 103 21.068 -41.200 27.767 1.00 53.22 ATOM 1619 HG1 GLN 103 20.604 -42.048 27.284 1.00 36.63 ATOM 1620 HG2 GLN 103 20.328 -40.704 28.381 1.00 31.44 ATOM 1621 CD GLN 103 22.187 -41.717 28.648 1.00 21.35 ATOM 1622 OE1 GLN 103 23.170 -42.276 28.160 1.00 12.21 ATOM 1623 NE2 GLN 103 22.044 -41.534 29.956 1.00 43.32 ATOM 1624 HE21 GLN 103 21.238 -41.082 30.294 1.00 42.45 ATOM 1625 HE22 GLN 103 22.758 -41.862 30.541 1.00 42.11 ATOM 1626 C GLN 103 22.049 -37.914 25.950 1.00 21.42 ATOM 1627 O GLN 103 23.253 -37.842 25.707 1.00 30.34 ATOM 1628 N GLY 104 21.129 -37.256 25.251 1.00 45.00 ATOM 1629 HN GLY 104 20.177 -37.353 25.457 1.00 36.63 ATOM 1630 CA GLY 104 21.512 -36.401 24.142 1.00 32.32 ATOM 1631 HA1 GLY 104 22.294 -35.723 24.461 1.00 36.63 ATOM 1632 HA2 GLY 104 20.652 -35.820 23.842 1.00 5.31 ATOM 1633 C GLY 104 22.004 -37.190 22.945 1.00 21.21 ATOM 1634 O GLY 104 23.095 -36.939 22.435 1.00 5.30 ATOM 1635 N GLN 105 21.198 -38.148 22.497 1.00 3.43 ATOM 1636 HN GLN 105 20.330 -38.299 22.937 1.00 36.63 ATOM 1637 CA GLN 105 21.560 -38.977 21.354 1.00 21.21 ATOM 1638 HA GLN 105 22.624 -38.888 21.171 1.00 55.14 ATOM 1639 CB GLN 105 21.248 -40.446 21.644 1.00 21.41 ATOM 1640 HB1 GLN 105 21.699 -41.048 20.867 1.00 36.63 ATOM 1641 HB2 GLN 105 20.176 -40.598 21.628 1.00 73.04 ATOM 1642 CG GLN 105 21.763 -40.923 22.993 1.00 41.14 ATOM 1643 HG1 GLN 105 21.052 -40.633 23.747 1.00 36.63 ATOM 1644 HG2 GLN 105 22.717 -40.453 23.199 1.00 55.41 ATOM 1645 CD GLN 105 21.941 -42.427 23.051 1.00 63.32 ATOM 1646 OE1 GLN 105 21.229 -43.175 22.379 1.00 4.25 ATOM 1647 NE2 GLN 105 22.895 -42.880 23.856 1.00 44.02 ATOM 1648 HE21 GLN 105 23.434 -42.237 24.369 1.00 12.24 ATOM 1649 HE22 GLN 105 23.026 -43.850 23.907 1.00 12.25 ATOM 1650 C GLN 105 20.821 -38.526 20.099 1.00 72.44 ATOM 1651 O GLN 105 21.439 -38.136 19.109 1.00 31.31 ATOM 1652 N ASN 106 19.494 -38.583 20.147 1.00 72.33 ATOM 1653 HN ASN 106 19.052 -38.886 20.968 1.00 36.63 ATOM 1654 CA ASN 106 18.670 -38.182 19.012 1.00 11.44 ATOM 1655 HA ASN 106 19.309 -37.990 18.157 1.00 5.35 ATOM 1656 CB ASN 106 17.678 -39.291 18.658 1.00 53.12 ATOM 1657 HB1 ASN 106 16.771 -38.865 18.245 1.00 36.63 ATOM 1658 HB2 ASN 106 17.434 -39.846 19.536 1.00 43.13 ATOM 1659 CG ASN 106 18.237 -40.263 17.637 1.00 44.42 ATOM 1660 OD1 ASN 106 19.281 -40.014 17.034 1.00 45.31 ATOM 1661 ND2 ASN 106 17.543 -41.377 17.438 1.00 0.01 ATOM 1662 HD21 ASN 106 16.722 -41.528 17.954 1.00 20.31 ATOM 1663 HD22 ASN 106 17.883 -42.013 16.774 1.00 5.11 ATOM 1664 C ASN 106 17.918 -36.890 19.317 1.00 51.52 ATOM 1665 O ASN 106 16.785 -36.917 19.798 1.00 52.42 ATOM 1666 N PHE 107 18.556 -35.759 19.033 1.00 51.04 ATOM 1667 HN PHE 107 19.460 -35.801 18.637 1.00 36.63 ATOM 1668 CA PHE 107 17.948 -34.456 19.276 1.00 30.00 ATOM 1669 HA PHE 107 17.454 -34.489 20.234 1.00 20.35 ATOM 1670 CB PHE 107 19.023 -33.368 19.317 1.00 53.32 ATOM 1671 HB1 PHE 107 19.469 -33.267 18.334 1.00 36.63 ATOM 1672 HB2 PHE 107 19.789 -33.668 20.019 1.00 14.42 ATOM 1673 CG PHE 107 18.504 -32.029 19.757 1.00 13.13 ATOM 1674 CD1 PHE 107 17.869 -31.885 20.981 1.00 63.34 ATOM 1675 HD1 PHE 107 17.748 -32.746 21.625 1.00 12.43 ATOM 1676 CD2 PHE 107 18.650 -30.914 18.948 1.00 51.13 ATOM 1677 HD2 PHE 107 19.144 -31.009 17.990 1.00 44.24 ATOM 1678 CE1 PHE 107 17.391 -30.655 21.389 1.00 12.42 ATOM 1679 HE1 PHE 107 16.898 -30.557 22.345 1.00 34.10 ATOM 1680 CE2 PHE 107 18.174 -29.681 19.351 1.00 11.32 ATOM 1681 HE2 PHE 107 18.292 -28.821 18.710 1.00 45.52 ATOM 1682 CZ PHE 107 17.542 -29.551 20.573 1.00 65.12 ATOM 1683 HZ PHE 107 17.161 -28.601 20.877 1.00 1.43 ATOM 1684 C PHE 107 16.916 -34.128 18.201 1.00 43.23 ATOM 1685 O PHE 107 15.938 -33.428 18.458 1.00 52.14 ATOM 1686 N ASN 108 17.144 -34.639 16.995 1.00 2.50 ATOM 1687 HN ASN 108 17.972 -35.131 16.837 1.00 36.63 ATOM 1688 CA ASN 108 16.236 -34.399 15.879 1.00 32.25 ATOM 1689 HA ASN 108 16.279 -33.347 15.634 1.00 21.35 ATOM 1690 CB ASN 108 16.671 -35.211 14.657 1.00 15.25 ATOM 1691 HB1 ASN 108 17.643 -34.865 14.334 1.00 36.63 ATOM 1692 HB2 ASN 108 15.961 -35.063 13.854 1.00 73.52 ATOM 1693 CG ASN 108 16.759 -36.696 14.952 1.00 44.15 ATOM 1694 OD1 ASN 108 15.792 -37.435 14.770 1.00 15.24 ATOM 1695 ND2 ASN 108 17.925 -37.140 15.408 1.00 13.21 ATOM 1696 HD21 ASN 108 18.669 -36.509 15.526 1.00 32.51 ATOM 1697 HD22 ASN 108 17.998 -38.096 15.612 1.00 41.22 ATOM 1698 C ASN 108 14.802 -34.758 16.259 1.00 62.34 ATOM 1699 O ASN 108 13.869 -34.000 15.993 1.00 62.21 ATOM 1700 N LYS 109 14.634 -35.920 16.882 1.00 42.31 ATOM 1701 HN LYS 109 15.423 -36.442 17.140 1.00 36.63 ATOM 1702 CA LYS 109 13.316 -36.380 17.300 1.00 34.33 ATOM 1703 HA LYS 109 12.667 -36.381 16.434 1.00 5.14 ATOM 1704 CB LYS 109 13.402 -37.805 17.851 1.00 34.35 ATOM 1705 HB1 LYS 109 12.401 -38.177 17.985 1.00 36.63 ATOM 1706 HB2 LYS 109 13.908 -37.789 18.809 1.00 43.42 ATOM 1707 CG LYS 109 14.139 -38.768 16.937 1.00 52.15 ATOM 1708 HG1 LYS 109 15.139 -38.405 16.785 1.00 36.63 ATOM 1709 HG2 LYS 109 13.630 -38.819 15.985 1.00 54.14 ATOM 1710 CD LYS 109 14.240 -40.154 17.550 1.00 33.15 ATOM 1711 HD1 LYS 109 14.296 -40.086 18.630 1.00 36.63 ATOM 1712 HD2 LYS 109 15.130 -40.617 17.173 1.00 24.33 ATOM 1713 CE LYS 109 13.055 -41.024 17.160 1.00 32.20 ATOM 1714 HE1 LYS 109 13.205 -41.382 16.152 1.00 36.63 ATOM 1715 HE2 LYS 109 12.146 -40.436 17.201 1.00 22.54 ATOM 1716 NZ LYS 109 12.901 -42.193 18.070 1.00 14.54 ATOM 1717 HZ1 LYS 109 12.749 -41.872 19.049 1.00 62.30 ATOM 1718 HZ2 LYS 109 13.753 -42.790 18.041 1.00 35.45 ATOM 1719 HZ3 LYS 109 12.084 -42.766 17.776 1.00 31.43 ATOM 1720 C LYS 109 12.724 -35.451 18.355 1.00 10.22 ATOM 1721 O LYS 109 11.505 -35.321 18.470 1.00 61.24 ATOM 1722 N VAL 110 13.595 -34.804 19.124 1.00 61.45 ATOM 1723 HN VAL 110 14.552 -34.955 19.004 1.00 36.63 ATOM 1724 CA VAL 110 13.159 -33.885 20.167 1.00 13.33 ATOM 1725 HA VAL 110 12.314 -34.330 20.681 1.00 51.41 ATOM 1726 CB VAL 110 14.274 -33.638 21.200 1.00 4.31 ATOM 1727 HB VAL 110 15.066 -33.069 20.731 1.00 32.55 ATOM 1728 CG1 VAL 110 13.746 -32.828 22.374 1.00 35.33 ATOM 1729 HG11 VAL 110 14.497 -32.769 23.145 1.00 33.31 ATOM 1730 HG12 VAL 110 12.862 -33.286 22.775 1.00 63.04 ATOM 1731 HG13 VAL 110 13.508 -31.828 22.044 1.00 40.15 ATOM 1732 CG2 VAL 110 14.863 -34.958 21.674 1.00 11.01 ATOM 1733 HG21 VAL 110 14.959 -34.965 22.746 1.00 3.32 ATOM 1734 HG22 VAL 110 15.837 -35.082 21.242 1.00 52.15 ATOM 1735 HG23 VAL 110 14.246 -35.785 21.368 1.00 71.14 ATOM 1736 C VAL 110 12.724 -32.549 19.576 1.00 51.42 ATOM 1737 O VAL 110 11.613 -32.078 19.826 1.00 25.02 ATOM 1738 N LEU 111 13.606 -31.941 18.789 1.00 35.32 ATOM 1739 HN LEU 111 14.481 -32.367 18.630 1.00 36.63 ATOM 1740 CA LEU 111 13.313 -30.658 18.160 1.00 2.12 ATOM 1741 HA LEU 111 13.233 -29.924 18.947 1.00 61.14 ATOM 1742 CB LEU 111 14.441 -30.269 17.202 1.00 14.54 ATOM 1743 HB1 LEU 111 14.272 -30.759 16.249 1.00 36.63 ATOM 1744 HB2 LEU 111 15.373 -30.648 17.608 1.00 32.53 ATOM 1745 CG LEU 111 14.617 -28.771 16.947 1.00 21.30 ATOM 1746 HG LEU 111 13.694 -28.374 16.561 1.00 50.35 ATOM 1747 CD1 LEU 111 14.936 -28.043 18.243 1.00 11.42 ATOM 1748 HD11 LEU 111 15.781 -27.396 18.116 1.00 61.34 ATOM 1749 HD12 LEU 111 15.156 -28.749 19.034 1.00 41.40 ATOM 1750 HD13 LEU 111 14.081 -27.450 18.532 1.00 42.34 ATOM 1751 CD2 LEU 111 15.710 -28.531 15.916 1.00 71.55 ATOM 1752 HD21 LEU 111 15.415 -28.963 14.971 1.00 65.15 ATOM 1753 HD22 LEU 111 16.631 -28.990 16.248 1.00 74.02 ATOM 1754 HD23 LEU 111 15.868 -27.472 15.792 1.00 65.53 ATOM 1755 C LEU 111 11.987 -30.710 17.408 1.00 10.44 ATOM 1756 O LEU 111 11.145 -29.824 17.554 1.00 14.10 ATOM 1757 N SER 112 11.808 -31.754 16.606 1.00 52.11 ATOM 1758 HN SER 112 12.521 -32.433 16.529 1.00 36.63 ATOM 1759 CA SER 112 10.585 -31.921 15.830 1.00 55.41 ATOM 1760 HA SER 112 10.464 -31.050 15.200 1.00 51.11 ATOM 1761 CB SER 112 10.685 -33.161 14.940 1.00 42.34 ATOM 1762 HB1 SER 112 11.704 -33.285 14.597 1.00 36.63 ATOM 1763 HB2 SER 112 10.034 -33.038 14.087 1.00 25.30 ATOM 1764 OG SER 112 10.292 -34.327 15.643 1.00 43.41 ATOM 1765 HG SER 112 11.019 -34.634 16.191 1.00 32.42 ATOM 1766 C SER 112 9.371 -32.036 16.747 1.00 31.21 ATOM 1767 O SER 112 8.308 -31.484 16.462 1.00 44.12 ATOM 1768 N SER 113 9.537 -32.759 17.850 1.00 5.44 ATOM 1769 HN SER 113 10.407 -33.191 18.021 1.00 36.63 ATOM 1770 CA SER 113 8.455 -32.951 18.809 1.00 44.12 ATOM 1771 HA SER 113 7.635 -33.437 18.298 1.00 52.30 ATOM 1772 CB SER 113 8.918 -33.846 19.960 1.00 45.11 ATOM 1773 HB1 SER 113 9.980 -33.743 20.110 1.00 36.63 ATOM 1774 HB2 SER 113 8.693 -34.874 19.718 1.00 2.42 ATOM 1775 OG SER 113 8.250 -33.514 21.165 1.00 43.13 ATOM 1776 HG SER 113 8.781 -32.893 21.672 1.00 44.13 ATOM 1777 C SER 113 7.969 -31.612 19.355 1.00 52.14 ATOM 1778 O SER 113 6.788 -31.446 19.664 1.00 21.31 ATOM 1779 N LEU 114 8.887 -30.659 19.470 1.00 12.23 ATOM 1780 HN LEU 114 9.821 -30.843 19.214 1.00 36.63 ATOM 1781 CA LEU 114 8.553 -29.333 19.979 1.00 41.21 ATOM 1782 HA LEU 114 7.794 -29.434 20.744 1.00 70.24 ATOM 1783 CB LEU 114 9.789 -28.675 20.594 1.00 24.03 ATOM 1784 HB1 LEU 114 9.487 -27.720 21.009 1.00 36.63 ATOM 1785 HB2 LEU 114 10.506 -28.492 19.802 1.00 42.42 ATOM 1786 CG LEU 114 10.496 -29.470 21.693 1.00 13.23 ATOM 1787 HG LEU 114 10.919 -30.361 21.268 1.00 71.43 ATOM 1788 CD1 LEU 114 11.630 -28.656 22.296 1.00 50.51 ATOM 1789 HD11 LEU 114 11.250 -27.714 22.667 1.00 32.11 ATOM 1790 HD12 LEU 114 12.378 -28.472 21.541 1.00 51.51 ATOM 1791 HD13 LEU 114 12.079 -29.206 23.110 1.00 4.11 ATOM 1792 CD2 LEU 114 9.505 -29.887 22.771 1.00 40.44 ATOM 1793 HD21 LEU 114 8.758 -30.544 22.351 1.00 32.24 ATOM 1794 HD22 LEU 114 9.024 -29.013 23.186 1.00 42.03 ATOM 1795 HD23 LEU 114 10.029 -30.410 23.554 1.00 4.30 ATOM 1796 C LEU 114 7.992 -28.449 18.869 1.00 22.32 ATOM 1797 O LEU 114 6.960 -27.800 19.040 1.00 70.43 ATOM 1798 N VAL 115 8.678 -28.431 17.731 1.00 43.32 ATOM 1799 HN VAL 115 9.485 -28.990 17.653 1.00 36.63 ATOM 1800 CA VAL 115 8.247 -27.630 16.591 1.00 1.33 ATOM 1801 HA VAL 115 8.302 -26.587 16.878 1.00 3.45 ATOM 1802 CB VAL 115 9.163 -27.849 15.372 1.00 33.33 ATOM 1803 HB VAL 115 9.063 -28.876 15.044 1.00 24.34 ATOM 1804 CG1 VAL 115 8.749 -26.942 14.223 1.00 20.44 ATOM 1805 HG11 VAL 115 9.475 -27.015 13.423 1.00 15.10 ATOM 1806 HG12 VAL 115 8.698 -25.917 14.563 1.00 34.30 ATOM 1807 HG13 VAL 115 7.784 -27.244 13.846 1.00 5.14 ATOM 1808 CG2 VAL 115 10.617 -27.615 15.750 1.00 25.02 ATOM 1809 HG21 VAL 115 11.194 -28.485 15.475 1.00 60.30 ATOM 1810 HG22 VAL 115 10.728 -27.441 16.811 1.00 74.43 ATOM 1811 HG23 VAL 115 11.010 -26.758 15.220 1.00 42.31 ATOM 1812 C VAL 115 6.811 -27.959 16.200 1.00 11.02 ATOM 1813 O VAL 115 6.098 -27.121 15.646 1.00 64.43 ATOM 1814 N THR 116 6.390 -29.186 16.493 1.00 12.40 ATOM 1815 HN THR 116 7.006 -29.838 16.895 1.00 36.63 ATOM 1816 CA THR 116 5.039 -29.627 16.172 1.00 55.13 ATOM 1817 HA THR 116 4.757 -29.207 15.212 1.00 23.11 ATOM 1818 CB THR 116 4.961 -31.161 16.059 1.00 75.14 ATOM 1819 HB THR 116 5.264 -31.596 17.002 1.00 20.32 ATOM 1820 OG1 THR 116 5.844 -31.622 15.030 1.00 53.01 ATOM 1821 HG1 THR 116 6.741 -31.664 15.370 1.00 73.33 ATOM 1822 CG2 THR 116 3.540 -31.610 15.752 1.00 15.45 ATOM 1823 HG21 THR 116 2.928 -31.523 16.638 1.00 73.35 ATOM 1824 HG22 THR 116 3.556 -32.642 15.433 1.00 41.33 ATOM 1825 HG23 THR 116 3.120 -31.001 14.961 1.00 3.51 ATOM 1826 C THR 116 4.041 -29.155 17.224 1.00 43.03 ATOM 1827 O THR 116 2.972 -28.641 16.894 1.00 75.33 ATOM 1828 N LEU 117 4.398 -29.331 18.491 1.00 32.32 ATOM 1829 HN LEU 117 5.263 -29.760 18.695 1.00 36.63 ATOM 1830 CA LEU 117 3.534 -28.922 19.593 1.00 33.30 ATOM 1831 HA LEU 117 2.660 -29.551 19.577 1.00 71.12 ATOM 1832 CB LEU 117 4.253 -29.114 20.929 1.00 31.14 ATOM 1833 HB1 LEU 117 5.216 -28.627 20.861 1.00 36.63 ATOM 1834 HB2 LEU 117 4.417 -30.175 21.065 1.00 3.43 ATOM 1835 CG LEU 117 3.530 -28.574 22.164 1.00 5.20 ATOM 1836 HG LEU 117 3.442 -27.502 22.093 1.00 64.34 ATOM 1837 CD1 LEU 117 2.123 -29.143 22.251 1.00 70.32 ATOM 1838 HD11 LEU 117 1.659 -28.830 23.177 1.00 33.01 ATOM 1839 HD12 LEU 117 2.161 -30.219 22.219 1.00 73.52 ATOM 1840 HD13 LEU 117 1.532 -28.787 21.426 1.00 32.13 ATOM 1841 CD2 LEU 117 4.317 -28.896 23.426 1.00 21.51 ATOM 1842 HD21 LEU 117 4.208 -29.939 23.663 1.00 44.42 ATOM 1843 HD22 LEU 117 3.937 -28.306 24.240 1.00 21.40 ATOM 1844 HD23 LEU 117 5.360 -28.675 23.273 1.00 64.33 ATOM 1845 C LEU 117 3.105 -27.467 19.438 1.00 41.34 ATOM 1846 O LEU 117 2.024 -27.078 19.876 1.00 13.32 ATOM 1847 N ASN 118 3.960 -26.667 18.808 1.00 24.41 ATOM 1848 HN ASN 118 4.832 -27.012 18.512 1.00 36.63 ATOM 1849 CA ASN 118 3.669 -25.255 18.593 1.00 44.41 ATOM 1850 HA ASN 118 3.190 -24.862 19.482 1.00 15.31 ATOM 1851 CB ASN 118 4.965 -24.476 18.355 1.00 31.20 ATOM 1852 HB1 ASN 118 5.553 -25.000 17.616 1.00 36.63 ATOM 1853 HB2 ASN 118 5.527 -24.416 19.261 1.00 31.40 ATOM 1854 CG ASN 118 4.710 -23.073 17.839 1.00 31.03 ATOM 1855 OD1 ASN 118 4.867 -22.799 16.650 1.00 43.25 ATOM 1856 ND2 ASN 118 4.314 -22.176 18.735 1.00 21.44 ATOM 1857 HD21 ASN 118 4.185 -22.455 19.645 1.00 62.10 ATOM 1858 HD22 ASN 118 4.168 -21.257 18.428 1.00 5.31 ATOM 1859 C ASN 118 2.726 -25.068 17.409 1.00 51.24 ATOM 1860 O ASN 118 1.780 -24.283 17.472 1.00 53.42 ATOM 1861 N LYS 119 2.990 -25.795 16.329 1.00 72.45 ATOM 1862 HN LYS 119 3.767 -26.403 16.332 1.00 36.63 ATOM 1863 CA LYS 119 2.165 -25.713 15.129 1.00 15.24 ATOM 1864 HA LYS 119 2.088 -24.671 14.840 1.00 54.30 ATOM 1865 CB LYS 119 2.809 -26.501 13.987 1.00 50.45 ATOM 1866 HB1 LYS 119 2.078 -26.658 13.202 1.00 36.63 ATOM 1867 HB2 LYS 119 3.118 -27.465 14.370 1.00 61.05 ATOM 1868 CG LYS 119 4.008 -25.804 13.368 1.00 5.31 ATOM 1869 HG1 LYS 119 4.522 -25.233 14.132 1.00 36.63 ATOM 1870 HG2 LYS 119 3.668 -25.130 12.598 1.00 3.22 ATOM 1871 CD LYS 119 4.992 -26.802 12.780 1.00 34.14 ATOM 1872 HD1 LYS 119 5.235 -27.549 13.519 1.00 36.63 ATOM 1873 HD2 LYS 119 5.889 -26.278 12.489 1.00 2.31 ATOM 1874 CE LYS 119 4.415 -27.499 11.557 1.00 12.54 ATOM 1875 HE1 LYS 119 3.525 -28.041 11.843 1.00 36.63 ATOM 1876 HE2 LYS 119 5.150 -28.194 11.179 1.00 13.23 ATOM 1877 NZ LYS 119 4.071 -26.531 10.479 1.00 63.03 ATOM 1878 HZ1 LYS 119 3.892 -27.043 9.592 1.00 12.11 ATOM 1879 HZ2 LYS 119 4.851 -25.858 10.320 1.00 55.52 ATOM 1880 HZ3 LYS 119 3.214 -26.000 10.731 1.00 45.22 ATOM 1881 C LYS 119 0.760 -26.243 15.398 1.00 71.41 ATOM 1882 O LYS 119 -0.232 -25.560 15.144 1.00 41.21 ATOM 1883 N VAL 120 0.683 -27.466 15.915 1.00 53.25 ATOM 1884 HN VAL 120 1.514 -27.963 16.086 1.00 36.63 ATOM 1885 CA VAL 120 -0.601 -28.087 16.220 1.00 5.11 ATOM 1886 HA VAL 120 -1.114 -28.274 15.286 1.00 55.34 ATOM 1887 CB VAL 120 -0.414 -29.428 16.954 1.00 72.44 ATOM 1888 HB VAL 120 -1.388 -29.832 17.186 1.00 63.11 ATOM 1889 CG1 VAL 120 0.303 -30.430 16.061 1.00 32.02 ATOM 1890 HG11 VAL 120 1.276 -30.053 15.792 1.00 13.13 ATOM 1891 HG12 VAL 120 -0.278 -30.593 15.164 1.00 31.42 ATOM 1892 HG13 VAL 120 0.415 -31.369 16.586 1.00 30.34 ATOM 1893 CG2 VAL 120 0.345 -29.222 18.255 1.00 23.44 ATOM 1894 HG21 VAL 120 -0.313 -28.769 18.981 1.00 14.43 ATOM 1895 HG22 VAL 120 1.181 -28.584 18.102 1.00 72.23 ATOM 1896 HG23 VAL 120 0.686 -30.174 18.641 1.00 70.41 ATOM 1897 C VAL 120 -1.466 -27.168 17.076 1.00 62.44 ATOM 1898 O VAL 120 -2.694 -27.200 16.994 1.00 53.20 ATOM 1899 N THR 121 -0.817 -26.349 17.897 1.00 1.02 ATOM 1900 HN THR 121 0.164 -26.384 17.958 1.00 36.63 ATOM 1901 CA THR 121 -1.526 -25.421 18.769 1.00 74.21 ATOM 1902 HA THR 121 -2.494 -25.845 19.023 1.00 42.44 ATOM 1903 CB THR 121 -0.752 -25.177 20.078 1.00 34.12 ATOM 1904 HB THR 121 -1.192 -24.336 20.602 1.00 13.32 ATOM 1905 OG1 THR 121 0.618 -24.879 19.789 1.00 51.21 ATOM 1906 HG1 THR 121 0.701 -23.956 19.537 1.00 22.41 ATOM 1907 CG2 THR 121 -0.831 -26.394 20.988 1.00 43.20 ATOM 1908 HG21 THR 121 -1.193 -26.084 21.957 1.00 54.44 ATOM 1909 HG22 THR 121 0.141 -26.833 21.105 1.00 42.41 ATOM 1910 HG23 THR 121 -1.507 -27.136 20.581 1.00 30.23 ATOM 1911 C THR 121 -1.762 -24.085 18.074 1.00 3.13 ATOM 1912 O THR 121 -2.705 -23.364 18.398 1.00 1.13 ATOM 1913 N ALA 122 -0.899 -23.761 17.117 1.00 3.31 ATOM 1914 HN ALA 122 -0.135 -24.342 16.936 1.00 36.63 ATOM 1915 CA ALA 122 -1.015 -22.512 16.375 1.00 42.32 ATOM 1916 HA ALA 122 -0.873 -21.695 17.069 1.00 22.14 ATOM 1917 CB ALA 122 0.073 -22.424 15.315 1.00 63.51 ATOM 1918 HB1 ALA 122 1.037 -22.578 15.778 1.00 62.31 ATOM 1919 HB2 ALA 122 0.050 -21.447 14.855 1.00 43.11 ATOM 1920 HB3 ALA 122 -0.087 -23.180 14.560 1.00 74.32 ATOM 1921 C ALA 122 -2.392 -22.380 15.734 1.00 72.23 ATOM 1922 O ALA 122 -2.892 -21.273 15.535 1.00 45.44 ATOM 1923 N ASP 123 -3.001 -23.516 15.412 1.00 23.41 ATOM 1924 HN ASP 123 -2.546 -24.376 15.555 1.00 36.63 ATOM 1925 CA ASP 123 -4.321 -23.528 14.793 1.00 12.04 ATOM 1926 HA ASP 123 -4.332 -22.776 14.011 1.00 0.23 ATOM 1927 CB ASP 123 -4.605 -24.897 14.172 1.00 2.52 ATOM 1928 HB1 ASP 123 -4.865 -25.608 14.947 1.00 36.63 ATOM 1929 HB2 ASP 123 -3.716 -25.243 13.664 1.00 55.21 ATOM 1930 CG ASP 123 -5.732 -24.850 13.159 1.00 21.23 ATOM 1931 OD1 ASP 123 -6.796 -25.447 13.428 1.00 51.45 ATOM 1932 OD2 ASP 123 -5.550 -24.217 12.099 1.00 51.03 ATOM 1933 C ASP 123 -5.402 -23.185 15.813 1.00 13.44 ATOM 1934 O ASP 123 -6.463 -22.669 15.459 1.00 43.14 ATOM 1935 N ILE 124 -5.127 -23.475 17.080 1.00 4.14 ATOM 1936 HN ILE 124 -4.272 -23.885 17.307 1.00 36.63 ATOM 1937 CA ILE 124 -6.076 -23.197 18.151 1.00 4.22 ATOM 1938 HA ILE 124 -7.039 -23.608 17.867 1.00 34.44 ATOM 1939 CB ILE 124 -5.642 -23.857 19.473 1.00 1.14 ATOM 1940 HB ILE 124 -4.700 -23.425 19.779 1.00 43.44 ATOM 1941 CG1 ILE 124 -5.462 -25.364 19.281 1.00 34.24 ATOM 1942 HG11 ILE 124 -4.785 -25.552 18.461 1.00 36.63 ATOM 1943 HG12 ILE 124 -6.418 -25.815 19.056 1.00 54.02 ATOM 1944 CG2 ILE 124 -6.662 -23.574 20.566 1.00 31.30 ATOM 1945 HG21 ILE 124 -6.359 -24.052 21.486 1.00 22.21 ATOM 1946 HG22 ILE 124 -7.628 -23.956 20.270 1.00 52.44 ATOM 1947 HG23 ILE 124 -6.737 -22.511 20.740 1.00 15.01 ATOM 1948 CD1 ILE 124 -4.896 -26.065 20.496 1.00 11.15 ATOM 1949 HD11 ILE 124 -4.652 -27.085 20.238 1.00 2.24 ATOM 1950 HD12 ILE 124 -5.628 -26.064 21.289 1.00 1.31 ATOM 1951 HD13 ILE 124 -4.002 -25.557 20.829 1.00 2.41 ATOM 1952 C ILE 124 -6.231 -21.696 18.372 1.00 2.02 ATOM 1953 O ILE 124 -7.321 -21.212 18.674 1.00 4.32 ATOM 1954 N GLY 125 -5.132 -20.964 18.218 1.00 43.45 ATOM 1955 HN GLY 125 -4.276 -21.391 17.994 1.00 36.63 ATOM 1956 CA GLY 125 -5.167 -19.525 18.402 1.00 11.32 ATOM 1957 HA1 GLY 125 -5.914 -19.098 17.746 1.00 36.63 ATOM 1958 HA2 GLY 125 -4.201 -19.119 18.138 1.00 33.42 ATOM 1959 C GLY 125 -5.486 -19.131 19.831 1.00 75.22 ATOM 1960 O GLY 125 -6.595 -18.682 20.126 1.00 4.41 ATOM 1961 N LEU 126 -4.515 -19.301 20.721 1.00 70.52 ATOM 1962 HN LEU 126 -3.648 -19.668 20.423 1.00 36.63 ATOM 1963 HA LEU 126 -5.465 -19.605 22.526 1.00 21.15 ATOM 1964 CB LEU 126 -3.396 -19.181 22.899 1.00 4.42 ATOM 1965 HB1 LEU 126 -3.481 -18.698 23.868 1.00 36.63 ATOM 1966 HB2 LEU 126 -2.603 -18.692 22.348 1.00 32.31 ATOM 1967 CG LEU 126 -2.990 -20.636 23.133 1.00 63.22 ATOM 1968 HG LEU 126 -2.919 -21.140 22.180 1.00 30.11 ATOM 1969 CD1 LEU 126 -1.627 -20.709 23.804 1.00 61.33 ATOM 1970 HD11 LEU 126 -1.647 -20.157 24.734 1.00 74.44 ATOM 1971 HD12 LEU 126 -0.878 -20.287 23.151 1.00 61.31 ATOM 1972 HD13 LEU 126 -1.389 -21.731 24.004 1.00 15.23 ATOM 1973 CD2 LEU 126 -4.038 -21.354 23.970 1.00 22.33 ATOM 1974 HD21 LEU 126 -3.710 -22.365 24.174 1.00 62.05 ATOM 1975 HD22 LEU 126 -4.972 -21.391 23.432 1.00 31.34 ATOM 1976 HD23 LEU 126 -4.181 -20.831 24.906 1.00 2.20 ATOM 1977 CA LEU 126 -4.698 -18.962 22.128 1.00 73.32 ATOM 1978 C LEU 126 -5.159 -17.517 22.284 1.00 41.41 ATOM 1979 OT1 LEU 126 -4.465 -16.612 21.769 1.00 36.63 ATOM 1980 OT2 LEU 126 -6.212 -17.297 22.921 1.00 36.63 ATOM 1981 OH2 TIP3 1 -6.069 -46.763 9.980 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -5.980 -45.819 9.848 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.708 -47.038 9.322 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -7.136 -47.508 13.399 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.174 -48.154 14.104 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.459 -47.974 12.628 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -3.430 -44.569 11.701 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -3.871 -45.289 12.151 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -3.443 -43.848 12.331 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -6.319 -39.464 11.913 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.699 -40.141 11.640 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -6.527 -39.682 12.821 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -8.747 -45.075 13.805 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -8.443 -45.761 13.211 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -8.025 -44.957 14.423 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -5.606 -50.681 14.133 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -5.463 -51.628 14.153 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -5.712 -50.474 13.204 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -4.666 -40.948 10.674 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -4.241 -41.655 10.189 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -4.349 -40.147 10.257 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -3.507 -43.047 9.183 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -3.764 -43.737 8.571 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -3.436 -43.490 10.028 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 0.021 -48.141 15.726 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -0.631 -47.446 15.815 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 0.486 -47.931 14.916 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -4.045 -49.135 17.452 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -3.965 -48.372 18.024 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -4.646 -48.856 16.761 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -8.287 -42.226 18.113 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -8.200 -41.400 18.588 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.151 -42.556 18.362 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -2.114 -50.307 19.717 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -2.521 -49.826 18.997 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -2.073 -51.212 19.410 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -6.454 -48.766 16.019 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -6.130 -49.397 15.376 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -6.894 -49.301 16.680 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.666 -45.266 18.026 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.012 -45.647 18.832 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.866 -44.332 18.097 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 0.279 -44.759 19.180 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -0.573 -44.521 18.813 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 0.869 -44.776 18.427 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -4.229 -46.965 13.830 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -5.157 -47.197 13.803 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -3.778 -47.742 13.500 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -9.744 -40.825 15.854 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -9.381 -39.970 15.621 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -9.212 -41.117 16.595 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -3.358 -49.176 12.369 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -4.155 -49.591 12.040 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -2.913 -49.867 12.860 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -11.960 -40.330 21.839 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -11.192 -40.789 22.180 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -11.981 -40.556 20.909 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -6.851 -46.759 21.245 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -5.898 -46.675 21.217 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -7.011 -47.470 21.864 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -9.537 -48.066 16.782 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -8.786 -48.222 16.209 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -9.876 -47.214 16.506 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -3.805 -47.462 19.888 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -4.086 -46.753 19.310 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -2.862 -47.535 19.737 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -1.541 -43.913 21.780 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -2.407 -44.018 22.174 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -1.165 -43.154 22.227 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -1.203 -47.112 19.320 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -0.620 -47.846 19.511 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -0.639 -46.340 19.366 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 0.294 -49.209 20.004 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -0.569 -49.588 19.839 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 0.898 -49.948 19.930 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -1.737 -50.918 13.579 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -0.804 -50.706 13.545 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -1.972 -50.816 14.502 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -1.708 -50.181 16.355 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -2.551 -49.913 16.721 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -1.265 -49.359 16.144 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -2.817 -39.180 9.792 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.164 -39.527 9.184 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -2.306 -38.691 10.438 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -8.167 -39.877 19.553 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.982 -40.211 20.431 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -7.320 -39.568 19.231 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -7.898 -38.532 14.847 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -8.355 -38.003 14.193 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -7.735 -37.929 15.572 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -3.430 -44.569 30.557 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -3.871 -45.289 31.007 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -3.443 -43.848 31.187 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -6.319 -39.464 30.769 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -5.699 -40.141 30.496 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.527 -39.682 31.677 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -6.272 -44.162 27.879 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -6.568 -44.484 27.028 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -6.596 -43.262 27.921 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -2.918 -42.729 32.905 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -3.860 -42.671 33.066 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -2.642 -41.823 32.768 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -4.666 -40.948 29.530 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -4.241 -41.655 29.045 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -4.349 -40.147 29.113 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -3.507 -43.047 28.039 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -3.764 -43.737 27.427 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -3.436 -43.490 28.884 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.821 -44.481 36.516 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -1.681 -45.072 35.777 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -1.653 -43.608 36.160 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 0.021 -48.141 34.582 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -0.631 -47.446 34.671 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 0.486 -47.931 33.772 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -3.942 -47.309 27.240 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -4.674 -47.081 27.813 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -3.495 -48.023 27.695 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.621 -42.407 33.490 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.862 -41.745 34.138 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.819 -43.241 33.915 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -7.345 -41.410 28.360 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -6.871 -41.115 29.138 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -7.908 -40.672 28.127 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 0.734 -41.800 38.093 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 0.685 -42.755 38.056 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.092 -41.532 38.495 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.287 -42.226 36.969 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -8.200 -41.400 37.444 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.151 -42.556 37.218 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.873 -38.454 26.775 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.948 -38.575 25.829 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.840 -37.504 26.894 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -3.594 -47.114 22.555 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -3.552 -47.337 21.625 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -2.745 -46.716 22.745 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -7.666 -45.266 36.882 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.012 -45.647 37.688 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -7.866 -44.332 36.953 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -7.060 -43.991 24.670 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -7.355 -43.165 25.052 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -7.763 -44.611 24.866 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.416 -42.804 36.832 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -6.317 -42.621 36.564 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -5.382 -42.545 37.753 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 0.315 -50.559 25.199 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -0.239 -50.955 24.527 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 0.416 -49.649 24.922 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 0.279 -44.759 38.036 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -0.573 -44.521 37.669 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 0.869 -44.776 37.283 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -9.744 -40.825 34.710 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -9.381 -39.970 34.477 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -9.212 -41.117 35.451 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.200 -44.726 34.411 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -6.626 -44.953 35.237 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -5.619 -45.464 34.228 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -3.997 -43.797 23.485 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -3.644 -44.177 24.289 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -4.946 -43.890 23.571 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -3.131 -45.124 25.711 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -3.408 -45.852 26.267 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -2.204 -45.005 25.917 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -9.906 -42.685 21.932 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -9.667 -43.433 21.384 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -10.175 -43.073 22.764 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -10.969 -43.115 24.388 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -10.822 -43.635 25.178 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -10.972 -42.208 24.694 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -8.231 -41.417 25.137 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -9.048 -40.920 25.190 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -7.702 -40.942 24.497 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -10.893 -40.374 25.119 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -10.732 -39.574 24.618 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -11.090 -40.067 26.004 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -2.271 -39.920 32.847 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -2.427 -39.242 32.190 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -1.339 -39.848 33.050 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -7.868 -40.822 22.070 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -8.512 -41.453 22.392 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -7.106 -41.353 21.838 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -6.957 -44.048 21.897 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -7.225 -43.868 22.798 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -7.163 -44.974 21.766 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -4.260 -45.553 36.845 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.515 -44.965 36.725 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -5.017 -44.971 36.908 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -0.699 -46.525 22.175 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -0.972 -46.950 21.362 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -0.659 -45.594 21.958 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -10.191 -38.189 23.731 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -9.258 -38.031 23.875 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -10.455 -37.514 23.106 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -1.541 -43.913 40.636 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -2.407 -44.018 41.030 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -1.165 -43.154 41.083 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -0.240 -45.656 26.150 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 0.610 -45.235 26.278 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -0.235 -46.396 26.758 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 0.154 -47.603 27.974 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -0.572 -48.082 28.372 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 0.735 -47.397 28.706 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -0.087 -44.818 32.922 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 0.747 -45.196 32.641 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 0.025 -43.875 32.803 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.600 -41.940 35.229 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -2.248 -41.615 35.854 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -2.118 -42.380 34.554 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 0.422 -47.702 24.365 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -0.099 -47.345 23.646 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 0.389 -47.027 25.043 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.059 -49.082 28.537 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -2.209 -50.027 28.517 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -2.413 -48.801 29.381 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -8.167 -39.877 38.409 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -7.982 -40.211 39.287 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -7.320 -39.568 38.087 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -7.898 -38.532 33.703 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -8.355 -38.003 33.049 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -7.735 -37.929 34.428 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -0.183 -42.031 41.971 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -0.110 -41.092 42.141 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 0.722 -42.336 41.914 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -4.771 -39.300 42.634 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -4.396 -40.044 42.163 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -4.767 -39.570 43.552 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -5.102 -39.374 45.383 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.037 -39.274 45.562 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.822 -40.083 45.961 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.389 -41.773 44.520 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.762 -42.599 44.830 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.112 -41.956 43.623 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -3.997 -43.797 42.341 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -3.644 -44.177 43.145 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -4.946 -43.890 42.427 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -9.906 -42.685 40.788 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -9.667 -43.433 40.240 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -10.175 -43.073 41.620 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -8.231 -41.417 43.993 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -9.048 -40.920 44.046 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -7.702 -40.942 43.353 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -7.868 -40.822 40.926 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -8.512 -41.453 41.248 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -7.106 -41.353 40.694 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -6.957 -44.048 40.753 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -7.225 -43.868 41.654 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -7.163 -44.974 40.622 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -10.191 -38.189 42.587 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -9.258 -38.031 42.731 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -10.455 -37.514 41.962 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -2.817 -39.180 47.504 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -2.164 -39.527 46.896 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -2.306 -38.691 48.150 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -7.546 -38.963 42.832 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -6.680 -38.597 42.654 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -7.793 -39.403 42.019 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -0.837 -39.400 45.512 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -1.031 -40.148 44.947 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -0.876 -38.642 44.928 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -1.984 -19.076 1.488 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -1.784 -18.652 0.653 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -1.328 -18.733 2.095 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.069 -27.907 9.980 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -5.980 -26.963 9.848 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.708 -28.182 9.322 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -13.844 -24.587 13.527 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -14.214 -25.389 13.158 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -12.903 -24.756 13.574 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -5.606 -31.825 14.133 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -5.463 -32.772 14.153 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -5.712 -31.618 13.204 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -10.675 -29.777 11.383 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -10.059 -30.303 11.892 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -11.261 -30.417 10.979 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -11.072 -27.130 15.767 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -11.812 -26.532 15.870 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -10.358 -26.576 15.451 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -2.965 -34.302 11.787 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -3.180 -35.068 12.319 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -2.309 -33.830 12.300 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -12.664 -25.166 16.554 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -12.670 -24.287 16.176 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -13.518 -25.249 16.979 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -7.348 -28.663 7.432 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -8.060 -28.128 7.081 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -6.657 -28.607 6.772 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -3.942 -28.453 8.384 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -4.674 -28.225 8.957 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -3.495 -29.167 8.839 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -12.297 -27.823 10.267 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -12.627 -28.193 9.448 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -11.709 -28.493 10.613 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.930 -24.395 12.948 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -11.025 -24.973 12.191 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.201 -24.766 13.444 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.930 -29.054 13.900 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -11.365 -28.933 13.137 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.611 -28.417 14.539 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.050 -24.655 18.617 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -11.362 -23.873 19.073 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.700 -24.808 17.931 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -5.071 -29.291 6.069 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -4.492 -29.141 6.816 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -4.657 -28.820 5.346 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -12.811 -22.583 19.381 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -12.803 -22.719 18.433 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -13.727 -22.701 19.633 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -7.873 -19.598 7.919 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -7.948 -19.719 6.973 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -7.840 -18.648 8.038 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -5.102 -20.518 7.671 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.037 -20.418 7.850 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -4.822 -21.227 8.249 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -7.683 -36.875 17.084 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -7.263 -37.290 17.837 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -8.616 -37.053 17.201 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -6.722 -30.994 8.534 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -7.131 -30.179 8.242 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -6.002 -31.134 7.919 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -7.620 -30.819 20.022 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -8.183 -31.523 20.342 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -6.794 -30.939 20.489 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.718 -31.548 11.348 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -5.913 -30.943 10.633 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -5.536 -32.382 10.913 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -6.454 -29.910 16.019 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -6.130 -30.541 15.376 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -6.894 -30.445 16.680 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -5.271 -34.748 14.067 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -5.948 -34.617 14.731 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -5.757 -34.903 13.257 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -8.356 -31.195 12.690 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -7.792 -31.742 12.143 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -8.504 -31.717 13.479 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -9.186 -26.594 6.789 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -9.930 -27.101 6.466 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -9.320 -26.545 7.735 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -14.061 -27.299 12.558 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -13.316 -27.301 11.957 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -13.983 -28.123 13.040 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -7.060 -25.135 5.814 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -7.355 -24.309 6.196 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -7.763 -25.755 6.010 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -10.036 -29.321 20.086 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -10.332 -29.487 19.191 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -9.105 -29.541 20.076 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 0.315 -31.703 6.343 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -0.239 -32.099 5.671 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 0.416 -30.793 6.066 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -1.389 -22.917 6.808 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -1.762 -23.743 7.118 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -1.112 -23.100 5.911 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -11.686 -23.781 9.963 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.159 -23.008 9.762 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -12.566 -23.556 9.661 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.259 -26.118 9.539 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.500 -25.193 9.581 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -10.999 -26.577 9.935 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -11.575 -21.096 9.084 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -12.525 -20.991 9.136 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -11.224 -20.276 9.429 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -3.997 -24.941 4.629 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -3.644 -25.321 5.433 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -4.946 -25.034 4.715 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 0.507 -20.461 4.830 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 1.250 -19.875 4.690 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -0.188 -19.893 5.163 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -3.131 -26.268 6.855 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -3.408 -26.996 7.411 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -2.204 -26.149 7.061 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -6.684 -34.344 16.321 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -5.986 -34.270 16.971 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -7.065 -35.208 16.476 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -8.231 -22.561 6.281 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -9.048 -22.064 6.334 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -7.702 -22.086 5.641 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -8.164 -31.978 17.438 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -8.045 -31.404 18.195 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -7.509 -32.666 17.553 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -3.358 -30.320 12.369 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.155 -30.735 12.040 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -2.913 -31.011 12.860 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -11.960 -21.474 21.839 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -11.192 -21.933 22.180 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.981 -21.700 20.909 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -9.995 -26.613 20.606 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -10.323 -26.342 19.748 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -9.843 -27.554 20.518 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -11.531 -33.019 19.050 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -11.381 -33.748 18.447 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -11.529 -32.242 18.491 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.119 -34.649 16.542 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -10.583 -34.198 15.890 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.971 -34.757 16.120 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -9.537 -29.210 16.782 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -8.786 -29.366 16.209 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -9.876 -28.358 16.506 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -13.053 -31.821 20.961 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -13.820 -32.353 20.751 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -12.374 -32.131 20.362 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -10.313 -37.193 16.974 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -10.411 -36.246 16.868 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -11.056 -37.565 16.498 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -9.049 -32.871 20.537 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -9.285 -33.091 21.439 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -9.832 -33.078 20.028 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -10.091 -37.899 19.645 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -9.379 -38.539 19.631 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -10.192 -37.632 18.731 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -9.738 -36.216 21.699 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -9.869 -36.692 20.878 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -10.337 -35.472 21.643 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -0.240 -26.800 7.294 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 0.610 -26.379 7.422 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -0.235 -27.540 7.902 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 0.154 -28.747 9.118 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -0.572 -29.226 9.516 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 0.735 -28.541 9.850 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 0.422 -28.846 5.509 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -0.099 -28.489 4.790 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 0.389 -28.171 6.187 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -2.059 -30.226 9.681 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -2.209 -31.171 9.661 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -2.413 -29.945 10.525 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -2.817 -20.324 9.792 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -2.164 -20.671 9.184 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -2.306 -19.835 10.438 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -12.478 -22.420 16.594 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -12.903 -21.611 16.311 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -11.573 -22.335 16.292 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -12.609 -19.564 15.671 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -13.474 -19.492 16.075 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -12.664 -19.017 14.887 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.520 -21.831 12.207 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -13.739 -22.747 12.376 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -12.696 -21.691 12.673 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.983 -21.361 13.055 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.770 -22.249 12.768 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -10.918 -21.395 14.010 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -7.474 -35.697 12.200 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -8.149 -36.326 12.455 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -6.910 -36.181 11.597 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -2.332 -37.590 12.312 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -1.728 -37.042 11.811 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -3.201 -37.270 12.072 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -0.605 -36.451 10.646 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 0.007 -36.965 10.119 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -0.222 -35.573 10.669 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -5.011 -37.106 11.484 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -4.935 -37.011 10.535 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -5.287 -38.014 11.613 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -0.837 -20.544 7.800 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -1.031 -21.292 7.235 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -0.876 -19.786 7.216 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -6.319 -20.608 30.769 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -5.699 -21.285 30.496 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -6.527 -20.826 31.677 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -10.675 -29.777 30.239 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -10.059 -30.303 30.748 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -11.261 -30.417 29.835 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -11.072 -27.130 34.623 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -11.812 -26.532 34.726 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -10.358 -26.576 34.307 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.615 -37.500 31.788 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -9.732 -38.449 31.734 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.470 -37.168 32.061 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -1.821 -25.625 36.516 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -1.681 -26.216 35.777 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -1.653 -24.752 36.160 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -12.297 -27.823 29.123 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -12.627 -28.193 28.304 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -11.709 -28.493 29.469 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -10.930 -24.395 31.804 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.025 -24.973 31.047 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.201 -24.766 32.300 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -11.930 -29.054 32.756 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -11.365 -28.933 31.993 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.611 -28.417 33.395 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.345 -22.554 28.360 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -6.871 -22.259 29.138 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -7.908 -21.816 28.127 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 0.734 -22.944 38.093 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 0.685 -23.899 38.056 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -0.092 -22.676 38.495 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -8.287 -23.370 36.969 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -8.200 -22.544 37.444 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.151 -23.700 37.218 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -7.873 -19.598 26.775 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -7.948 -19.719 25.829 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -7.840 -18.648 26.894 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -12.255 -31.631 33.661 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.897 -31.672 34.370 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -12.218 -30.705 33.423 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -12.258 -31.410 28.573 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -13.151 -31.751 28.514 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.807 -31.787 27.817 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -7.620 -30.819 38.878 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -8.183 -31.523 39.198 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -6.794 -30.939 39.345 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -11.139 -33.937 22.326 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -11.570 -34.382 23.056 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -11.857 -33.565 21.814 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -9.676 -33.983 29.659 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -10.587 -33.926 29.948 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -9.171 -34.043 30.470 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -11.195 -32.354 26.142 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -10.263 -32.225 26.320 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -11.410 -31.684 25.493 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.521 -31.159 23.709 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -13.063 -31.539 23.018 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -11.687 -30.965 23.280 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.730 -32.807 33.960 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -10.565 -32.353 34.070 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -9.206 -32.531 34.712 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -9.186 -26.594 25.645 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -9.930 -27.101 25.322 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -9.320 -26.545 26.591 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -7.666 -26.410 36.882 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -8.012 -26.791 37.688 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -7.866 -25.476 36.953 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -10.036 -29.321 38.942 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -10.332 -29.487 38.047 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -9.105 -29.541 38.932 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -5.416 -23.948 36.832 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -6.317 -23.765 36.564 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -5.382 -23.689 37.753 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 0.279 -25.903 38.036 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -0.573 -25.665 37.669 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 0.869 -25.920 37.283 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -11.686 -23.781 28.819 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.159 -23.008 28.618 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.566 -23.556 28.517 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.259 -26.118 28.395 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -10.500 -25.193 28.437 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.999 -26.577 28.791 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.744 -21.969 34.710 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.381 -21.114 34.477 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.212 -22.261 35.451 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -3.541 -21.318 36.880 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.143 -21.873 36.385 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -3.260 -20.651 36.254 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -10.969 -24.259 24.388 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -10.822 -24.779 25.178 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -10.972 -23.352 24.694 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -8.231 -22.561 25.137 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -9.048 -22.064 25.190 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -7.702 -22.086 24.497 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -8.700 -32.964 27.109 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -7.888 -32.460 27.155 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -8.945 -33.109 28.023 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -8.164 -31.978 36.294 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -8.045 -31.404 37.051 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -7.509 -32.666 36.409 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -7.816 -35.883 28.047 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -8.163 -35.265 28.692 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -7.158 -35.382 27.566 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -10.893 -21.518 25.119 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -10.732 -20.718 24.618 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -11.090 -21.211 26.004 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -12.159 -34.820 24.735 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -12.242 -33.931 25.081 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -11.269 -35.085 24.966 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -13.900 -24.392 23.795 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -13.308 -23.693 24.071 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -13.441 -24.825 23.076 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -12.309 -26.239 22.161 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -12.245 -27.033 22.692 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -11.656 -26.358 21.472 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -4.260 -26.697 36.845 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -3.515 -26.109 36.725 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -5.017 -26.115 36.908 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -11.160 -28.267 24.467 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -11.619 -28.751 25.153 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -10.905 -28.935 23.831 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -11.871 -30.374 36.823 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -12.489 -29.699 37.104 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -11.527 -30.053 35.990 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -10.089 -30.024 22.730 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -10.269 -30.178 21.802 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -9.138 -29.916 22.774 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -6.851 -27.903 40.101 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -5.898 -27.819 40.073 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -7.011 -28.614 40.720 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -11.531 -33.019 37.906 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -11.381 -33.748 37.303 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -11.529 -32.242 37.347 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -11.119 -34.649 35.398 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -10.583 -34.198 34.746 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -11.971 -34.757 34.976 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -9.537 -29.210 35.638 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -8.786 -29.366 35.065 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -9.876 -28.358 35.362 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -5.121 -31.395 40.666 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -4.929 -32.326 40.555 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.264 -30.970 40.656 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -3.805 -28.606 38.744 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -4.086 -27.897 38.166 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -2.862 -28.679 38.593 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -10.313 -37.193 35.830 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -10.411 -36.246 35.724 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -11.056 -37.565 35.354 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -9.049 -32.871 39.393 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -9.285 -33.091 40.295 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -9.832 -33.078 38.884 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -10.091 -37.899 38.501 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -9.379 -38.539 38.487 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -10.192 -37.632 37.587 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -9.738 -36.216 40.555 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -9.869 -36.692 39.734 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -10.337 -35.472 40.499 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -10.191 -19.333 23.731 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -9.258 -19.175 23.875 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -10.455 -18.658 23.106 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 0.008 -20.847 35.998 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -0.479 -21.582 35.627 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 0.557 -21.240 36.676 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -1.541 -25.057 40.636 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -2.407 -25.162 41.030 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -1.165 -24.298 41.083 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -1.600 -23.084 35.229 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -2.248 -22.759 35.854 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -2.118 -23.524 34.554 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -7.898 -19.676 33.703 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -8.355 -19.147 33.049 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -7.735 -19.073 34.428 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -5.571 -20.798 34.648 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -6.475 -20.633 34.382 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -5.142 -19.945 34.582 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -2.966 -19.228 34.943 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -3.148 -18.312 34.732 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -2.790 -19.638 34.096 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.983 -21.361 31.911 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.770 -22.249 31.624 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -10.918 -21.395 32.866 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.474 -35.697 31.056 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -8.149 -36.326 31.311 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -6.910 -36.181 30.453 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -10.568 -37.136 28.691 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -9.694 -36.748 28.661 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -10.704 -37.351 29.614 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -5.011 -37.106 30.340 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -4.935 -37.011 29.391 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -5.287 -38.014 30.469 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -1.373 -37.541 43.594 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -2.272 -37.402 43.889 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -1.121 -36.710 43.192 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -3.594 -28.258 41.411 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.552 -28.481 40.481 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.745 -27.860 41.601 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -8.021 -34.382 42.081 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -8.275 -34.363 43.004 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -8.278 -35.254 41.780 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -11.139 -33.937 41.182 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -11.570 -34.382 41.912 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -11.857 -33.565 40.670 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -5.288 -33.780 42.700 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.226 -33.668 42.549 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -4.991 -32.923 43.006 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -4.570 -31.913 44.361 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -3.678 -32.050 44.680 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -4.513 -31.122 43.824 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 0.315 -31.703 44.055 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -0.239 -32.099 43.383 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 0.416 -30.793 43.778 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -5.900 -34.692 45.130 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -5.680 -34.220 44.327 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -5.342 -34.297 45.801 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -0.699 -27.669 41.031 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -0.972 -28.094 40.218 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -0.659 -26.738 40.814 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 0.422 -28.846 43.221 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -0.099 -28.489 42.502 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 0.389 -28.171 43.899 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.229 -31.606 41.772 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.132 -30.939 41.092 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.369 -32.422 41.290 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -2.349 -32.643 45.855 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.069 -33.550 45.980 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -1.590 -32.209 45.466 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -1.735 -35.380 45.904 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -1.553 -35.829 46.729 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.335 -35.965 45.440 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -0.605 -36.451 48.358 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 0.007 -36.965 47.831 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -0.222 -35.573 48.381 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -3.658 -37.080 44.889 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -4.361 -36.466 44.679 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -4.103 -37.918 45.020 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -9.424 -35.056 44.437 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -9.246 -35.702 45.120 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -9.478 -34.222 44.904 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -3.430 -6.857 -7.155 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -3.871 -7.577 -6.705 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -3.443 -6.136 -6.525 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -0.084 -15.762 -4.190 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -0.035 -15.152 -3.454 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 0.342 -15.301 -4.913 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 0.308 -14.284 -1.954 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -0.381 -13.626 -2.049 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 0.323 -14.481 -1.017 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -2.918 -5.017 -4.807 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -3.860 -4.959 -4.646 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -2.642 -4.111 -4.944 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -1.821 -6.769 -1.196 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -1.681 -7.360 -1.935 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -1.653 -5.896 -1.552 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -4.045 -11.423 -1.404 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -3.965 -10.660 -0.832 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -4.646 -11.144 -2.095 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -5.621 -4.695 -4.222 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -5.862 -4.033 -3.574 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -5.819 -5.529 -3.797 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.357 -14.263 -0.918 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -4.871 -14.389 -0.121 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -4.512 -13.351 -1.163 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -2.036 -8.605 -3.281 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -1.394 -8.148 -3.824 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -2.866 -8.492 -3.743 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -5.416 -5.092 -0.880 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -6.317 -4.909 -1.148 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -5.382 -4.833 0.041 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -4.229 -9.253 -5.026 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -5.157 -9.485 -5.053 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -3.778 -10.030 -5.356 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -3.541 -2.462 -0.832 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.143 -3.017 -1.327 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.260 -1.795 -1.458 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -1.960 -15.215 -0.583 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -2.876 -14.952 -0.671 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -1.624 -15.218 -1.480 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -3.358 -11.464 -6.487 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -4.155 -11.879 -6.816 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -2.913 -12.155 -5.996 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -2.271 -2.208 -4.865 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -2.427 -1.530 -5.522 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -1.339 -2.136 -4.662 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -5.383 -4.238 1.712 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -5.734 -5.094 1.955 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -4.657 -4.095 2.319 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -4.260 -7.841 -0.867 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -3.515 -7.253 -0.987 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -5.017 -7.259 -0.804 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -6.851 -9.047 2.389 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -5.898 -8.963 2.361 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -7.011 -9.758 3.008 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -5.121 -12.539 2.954 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -4.929 -13.470 2.843 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -4.264 -12.114 2.944 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -3.805 -9.750 1.032 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.086 -9.041 0.454 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -2.862 -9.823 0.881 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -6.333 -14.888 0.757 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -7.281 -14.856 0.889 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -6.021 -15.513 1.411 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.699 -16.254 2.762 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -4.796 -17.206 2.756 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -5.021 -15.985 3.623 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -0.240 -7.944 -11.562 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 0.610 -7.523 -11.434 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -0.235 -8.684 -10.954 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 0.154 -9.891 -9.738 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -0.572 -10.370 -9.340 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 0.735 -9.685 -9.006 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -2.059 -11.370 -9.175 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -2.209 -12.315 -9.195 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.413 -11.089 -8.331 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -1.737 -13.206 -5.277 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -0.804 -12.994 -5.311 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -1.972 -13.104 -4.354 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -1.708 -12.469 -2.501 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -2.551 -12.201 -2.135 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -1.265 -11.647 -2.712 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 0.575 -18.489 2.853 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 0.925 -19.143 2.247 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 0.722 -17.652 2.413 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 0.095 -16.380 1.202 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -0.822 -16.109 1.166 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 0.218 -16.915 0.418 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -5.822 -0.880 -0.059 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -5.145 -1.512 -0.299 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -5.500 -0.478 0.749 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -0.904 -18.290 -0.979 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -1.717 -17.965 -1.367 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -0.671 -19.050 -1.512 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -5.571 -1.942 -3.064 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -6.475 -1.777 -3.330 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -5.142 -1.089 -3.130 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -2.966 -0.372 -2.769 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.148 0.544 -2.980 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -2.790 -0.782 -3.616 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -0.084 -15.762 14.666 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -0.035 -15.152 15.402 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.342 -15.301 13.943 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -5.606 -12.969 14.133 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -5.463 -13.916 14.153 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -5.712 -12.762 13.204 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -4.729 -14.737 9.806 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -4.083 -15.066 10.431 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -4.219 -14.219 9.183 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 0.308 -14.284 16.902 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -0.381 -13.626 16.807 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 0.323 -14.481 17.839 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -2.965 -15.446 11.787 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -3.180 -16.212 12.319 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -2.309 -14.974 12.300 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -2.618 -16.731 15.466 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -3.354 -16.120 15.428 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -1.934 -16.316 14.940 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -9.615 -18.644 12.932 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -9.732 -19.593 12.878 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -10.470 -18.312 13.205 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -7.294 -11.349 4.471 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -6.593 -11.327 5.122 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -6.992 -11.977 3.815 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -3.942 -9.597 8.384 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -4.674 -9.369 8.957 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -3.495 -10.311 8.839 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -4.045 -11.423 17.452 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -3.965 -10.660 18.024 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -4.646 -11.144 16.761 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -5.071 -10.435 6.069 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -4.492 -10.285 6.816 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -4.657 -9.964 5.346 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -1.373 -18.685 5.882 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -2.272 -18.546 6.177 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -1.121 -17.854 5.480 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -4.771 -1.588 4.922 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -4.396 -2.332 4.451 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -4.767 -1.858 5.840 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -2.114 -12.595 19.717 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -2.521 -12.114 18.997 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -2.073 -13.500 19.410 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -12.346 -17.741 13.710 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -13.207 -17.828 13.302 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -12.368 -16.885 14.137 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -4.357 -14.263 17.938 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -4.871 -14.389 18.735 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -4.512 -13.351 17.693 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -3.594 -9.402 3.699 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -3.552 -9.625 2.769 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -2.745 -9.004 3.889 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -6.722 -12.138 8.534 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -7.131 -11.323 8.242 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -6.002 -12.278 7.919 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -7.620 -11.963 20.022 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -8.183 -12.667 20.342 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -6.794 -12.083 20.489 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -5.271 -15.892 14.067 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -5.948 -15.761 14.731 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -5.757 -16.047 13.257 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -9.730 -13.951 15.104 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -10.565 -13.497 15.214 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -9.206 -13.675 15.856 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -5.288 -14.924 4.988 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -6.226 -14.812 4.837 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -4.991 -14.067 5.294 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -4.570 -13.057 6.649 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -3.678 -13.194 6.968 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -4.513 -12.266 6.112 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -1.389 -4.061 6.808 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -1.762 -4.887 7.118 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -1.112 -4.244 5.911 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -3.997 -6.085 4.629 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -3.644 -6.465 5.433 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -4.946 -6.178 4.715 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -3.131 -7.412 6.855 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -3.408 -8.140 7.411 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -2.204 -7.293 7.061 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -6.684 -15.488 16.321 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -5.986 -15.414 16.971 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -7.065 -16.352 16.476 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -5.900 -15.836 7.418 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -5.680 -15.364 6.615 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -5.342 -15.441 8.089 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -8.164 -13.122 17.438 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -8.045 -12.548 18.195 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -7.509 -13.810 17.553 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -1.960 -15.215 18.273 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -2.876 -14.952 18.185 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -1.624 -15.218 17.376 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -3.264 -3.293 3.448 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -2.981 -4.087 3.901 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -2.524 -3.060 2.887 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -6.851 -9.047 21.245 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -5.898 -8.963 21.217 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -7.011 -9.758 21.864 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -11.531 -14.163 19.050 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -11.381 -14.892 18.447 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -11.529 -13.386 18.491 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -11.119 -15.793 16.542 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -10.583 -15.342 15.890 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -11.971 -15.901 16.120 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -5.121 -12.539 21.810 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -4.929 -13.470 21.699 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -4.264 -12.114 21.800 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -3.805 -9.750 19.888 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -4.086 -9.041 19.310 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -2.862 -9.823 19.737 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -10.313 -18.337 16.974 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -10.411 -17.390 16.868 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -11.056 -18.709 16.498 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -9.049 -14.015 20.537 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -9.285 -14.235 21.439 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -9.832 -14.222 20.028 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -0.240 -7.944 7.294 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 0.610 -7.523 7.422 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -0.235 -8.684 7.902 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.154 -9.891 9.118 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -0.572 -10.370 9.516 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 0.735 -9.685 9.850 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -2.059 -11.370 9.681 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -2.209 -12.315 9.661 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -2.413 -11.089 10.525 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 0.294 -11.497 20.004 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -0.569 -11.876 19.839 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 0.898 -12.236 19.930 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -2.349 -13.787 8.143 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -2.069 -14.694 8.268 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -1.590 -13.353 7.754 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -1.708 -12.469 16.355 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -2.551 -12.201 16.721 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -1.265 -11.647 16.144 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -1.735 -16.524 8.192 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -1.553 -16.973 9.017 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -2.335 -17.109 7.728 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 0.095 -16.380 20.058 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -0.822 -16.109 20.022 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 0.218 -16.915 19.274 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 0.131 -16.457 4.720 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 0.544 -17.178 4.244 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 0.813 -15.787 4.778 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -0.904 -18.290 17.877 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -1.717 -17.965 17.489 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.671 -19.050 17.344 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -7.474 -16.841 12.200 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -8.149 -17.470 12.455 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -6.910 -17.325 11.597 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -2.332 -18.734 12.312 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -1.728 -18.186 11.811 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -3.201 -18.414 12.072 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 -0.605 -17.595 10.646 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 0.007 -18.109 10.119 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 -0.222 -16.717 10.669 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 -5.011 -18.250 11.484 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 -4.935 -18.155 10.535 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 -5.287 -19.158 11.613 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 -3.658 -18.224 7.177 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 -4.361 -17.610 6.967 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 -4.103 -19.062 7.308 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 -0.837 -1.688 7.800 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 -1.031 -2.436 7.235 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 -0.876 -0.930 7.216 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 -13.217 -18.342 21.075 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 -12.318 -18.616 20.890 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 -13.603 -19.085 21.539 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 -0.084 -15.762 33.522 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 -0.035 -15.152 34.258 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 0.342 -15.301 32.799 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 -4.729 -14.737 28.662 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 -4.083 -15.066 29.287 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 -4.219 -14.219 28.039 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 0.308 -14.284 35.758 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 -0.381 -13.626 35.663 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 0.323 -14.481 36.695 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 -2.965 -15.446 30.643 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 -3.180 -16.212 31.175 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 -2.309 -14.974 31.156 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -2.618 -16.731 34.322 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -3.354 -16.120 34.284 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -1.934 -16.316 33.796 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 -7.294 -11.349 23.327 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 -6.593 -11.327 23.978 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 -6.992 -11.977 22.671 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 -5.071 -10.435 24.925 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 -4.492 -10.285 25.672 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 -4.657 -9.964 24.202 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 -3.594 -9.402 22.555 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 -3.552 -9.625 21.625 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 -2.745 -9.004 22.745 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 -6.722 -12.138 27.390 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 -7.131 -11.323 27.098 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 -6.002 -12.278 26.775 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 -11.139 -15.081 22.326 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 -11.570 -15.526 23.056 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -11.857 -14.709 21.814 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 -9.676 -15.127 29.659 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 -10.587 -15.070 29.948 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 -9.171 -15.187 30.470 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 -11.195 -13.498 26.142 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 -10.263 -13.369 26.320 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 -11.410 -12.828 25.493 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 -5.271 -15.892 32.923 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 -5.948 -15.761 33.587 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 -5.757 -16.047 32.113 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 -4.570 -13.057 25.505 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 -3.678 -13.194 25.824 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 -4.513 -12.266 24.968 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 0.315 -12.847 25.199 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 -0.239 -13.243 24.527 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 0.416 -11.937 24.922 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 -8.700 -14.108 27.109 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 -7.888 -13.604 27.155 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 -8.945 -14.253 28.023 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 -7.816 -17.027 28.047 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 -8.163 -16.409 28.692 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 -7.158 -16.526 27.566 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 -12.159 -15.964 24.735 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 -12.242 -15.075 25.081 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 -11.269 -16.229 24.966 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 -1.960 -15.215 37.129 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 -2.876 -14.952 37.041 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 -1.624 -15.218 36.232 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 -10.089 -11.168 22.730 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 -10.269 -11.322 21.802 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 -9.138 -11.060 22.774 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 0.422 -9.990 24.365 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 -0.099 -9.633 23.646 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 0.389 -9.315 25.043 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 -1.229 -12.750 22.916 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 -1.132 -12.083 22.236 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 -1.369 -13.566 22.434 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 -2.059 -11.370 28.537 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 -2.209 -12.315 28.517 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 -2.413 -11.089 29.381 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 -2.349 -13.787 26.999 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 -2.069 -14.694 27.124 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 -1.590 -13.353 26.610 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 -1.737 -13.206 32.435 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 -0.804 -12.994 32.401 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 -1.972 -13.104 33.358 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 0.131 -16.457 23.576 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 0.544 -17.178 23.100 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 0.813 -15.787 23.634 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 -0.904 -18.290 36.733 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 -1.717 -17.965 36.345 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 -0.671 -19.050 36.200 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 -10.568 -18.280 28.691 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 -9.694 -17.892 28.661 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 -10.704 -18.495 29.614 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 -5.011 -18.250 30.340 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 -4.935 -18.155 29.391 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 -5.287 -19.158 30.469 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 -9.424 -16.200 25.581 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 -9.246 -16.846 26.264 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -9.478 -15.366 26.048 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 -2.965 3.410 -7.069 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 -3.180 2.644 -6.537 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 -2.309 3.882 -6.556 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 -2.618 2.125 -3.390 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 -3.354 2.736 -3.428 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 -1.934 2.540 -3.916 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 0.021 8.427 -3.130 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 -0.631 9.122 -3.041 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 0.486 8.637 -3.940 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 -2.114 6.261 0.861 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 -2.521 6.742 0.141 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 -2.073 5.356 0.554 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 -4.357 4.593 -0.918 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 -4.871 4.467 -0.121 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 -4.512 5.505 -1.163 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 -1.960 3.641 -0.583 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 -2.876 3.904 -0.671 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 -1.624 3.638 -1.480 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 -4.699 2.602 2.762 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 -4.796 1.650 2.756 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 -5.021 2.871 3.623 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.294 7.359 1.148 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 -0.569 6.980 0.983 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 0.898 6.620 1.074 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 -1.737 5.650 -5.277 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 -0.804 5.862 -5.311 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 -1.972 5.752 -4.354 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 -1.708 6.387 -2.501 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 -2.551 6.655 -2.135 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 -1.265 7.209 -2.712 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 -2.332 0.122 -6.544 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 -1.728 0.670 -7.045 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 -3.201 0.442 -6.784 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 -0.605 1.261 -8.210 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 0.007 0.747 -8.737 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 -0.222 2.139 -8.187 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -4.795 -0.154 2.401 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 -4.719 -0.580 3.255 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 -3.902 -0.140 2.059 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 -1.373 0.171 5.882 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 -2.272 0.310 6.177 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 -1.121 1.002 5.480 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 -1.229 6.106 4.060 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 -1.132 6.773 3.380 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 -1.369 5.290 3.578 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 -1.981 3.514 3.177 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 -1.371 3.142 3.814 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 -2.818 3.092 3.373 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 -1.735 2.332 8.192 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 -1.553 1.883 9.017 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -2.335 1.747 7.728 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 0.131 2.399 4.720 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 0.544 1.678 4.244 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 0.813 3.069 4.778 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 -3.658 0.632 7.177 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 -4.361 1.246 6.967 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 -4.103 -0.206 7.308 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 11.720 -47.508 13.399 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 11.682 -48.154 14.104 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 11.397 -47.974 12.628 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 15.426 -44.569 11.701 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 14.985 -45.289 12.151 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 15.413 -43.848 12.331 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 5.012 -43.443 13.527 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 4.642 -44.245 13.158 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 5.953 -43.612 13.574 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 12.537 -39.464 11.913 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 13.157 -40.141 11.640 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 12.329 -39.682 12.821 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 10.109 -45.075 13.805 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 10.413 -45.761 13.211 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 10.831 -44.957 14.423 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 7.784 -45.986 15.767 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 7.044 -45.388 15.870 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 8.498 -45.432 15.451 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 6.192 -44.022 16.554 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 6.186 -43.143 16.176 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 5.338 -44.105 16.979 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 14.190 -40.948 10.674 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 14.615 -41.655 10.189 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 14.507 -40.147 10.257 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 15.349 -43.047 9.183 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 15.092 -43.737 8.571 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 15.420 -43.490 10.028 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 18.877 -48.141 15.726 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 18.225 -47.446 15.815 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 19.342 -47.931 14.916 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 14.811 -49.135 17.452 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 14.891 -48.372 18.024 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 14.210 -48.856 16.761 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 7.926 -43.251 12.948 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 7.831 -43.829 12.191 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 8.655 -43.622 13.444 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 4.726 -47.313 17.846 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 4.796 -46.662 18.544 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 3.835 -47.210 17.511 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 11.511 -41.410 9.504 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 11.985 -41.115 10.282 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 10.948 -40.672 9.271 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 1.642 -45.246 16.671 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 1.141 -45.274 15.856 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 1.648 -46.152 16.981 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 4.637 -39.665 9.700 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 4.789 -40.013 10.579 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 3.786 -40.021 9.445 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 13.754 -39.374 7.671 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 12.819 -39.274 7.850 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 14.034 -40.083 8.249 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 16.742 -50.307 19.717 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 16.335 -49.826 18.997 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 16.783 -51.212 19.410 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 3.891 -43.923 17.714 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 4.108 -44.284 18.574 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 3.036 -44.297 17.504 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 11.236 -49.675 20.022 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 10.673 -50.379 20.342 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 12.062 -49.795 20.489 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 12.402 -48.766 16.019 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 12.726 -49.397 15.376 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 11.962 -49.301 16.680 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 4.470 -45.458 19.952 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 5.203 -45.204 20.513 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 3.690 -45.254 20.467 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 16.820 -46.317 15.575 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 17.462 -45.860 15.032 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 15.990 -46.204 15.113 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 1.803 -47.694 17.873 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 2.026 -48.112 18.705 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 1.201 -48.307 17.451 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 8.820 -48.177 20.086 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 8.524 -48.343 19.191 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 9.751 -48.397 20.076 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 19.135 -44.759 19.180 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 18.283 -44.521 18.813 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 19.725 -44.776 18.427 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 14.627 -46.965 13.830 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 13.699 -47.197 13.803 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 15.078 -47.742 13.500 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 7.281 -39.952 9.084 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 6.331 -39.847 9.136 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 7.632 -39.132 9.429 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 3.088 -41.136 15.866 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 3.305 -42.068 15.835 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.335 -40.862 16.750 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 2.206 -45.439 21.173 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 2.350 -46.341 20.887 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 1.433 -45.153 20.685 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 8.861 -45.469 20.606 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 8.533 -45.198 19.748 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 9.013 -46.410 20.518 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 12.005 -46.759 21.245 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 12.958 -46.675 21.217 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 11.845 -47.470 21.864 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 9.319 -48.066 16.782 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 10.070 -48.222 16.209 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.980 -47.214 16.506 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 13.735 -50.251 21.810 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 13.927 -51.182 21.699 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.592 -49.826 21.800 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 15.051 -47.462 19.888 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 14.770 -46.753 19.310 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 15.994 -47.535 19.737 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 0.882 -38.160 9.435 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 0.235 -38.622 8.902 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 1.237 -38.832 10.018 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 1.752 -40.079 11.240 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 1.418 -40.960 11.412 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 1.974 -39.734 12.104 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 18.769 -44.818 14.066 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 19.603 -45.196 13.785 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 18.881 -43.875 13.947 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 1.832 -47.004 13.691 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 2.016 -47.086 12.756 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 2.681 -47.128 14.115 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 17.653 -47.112 19.320 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 18.236 -47.846 19.511 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 18.217 -46.340 19.366 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 19.150 -49.209 20.004 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 18.287 -49.588 19.839 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 19.754 -49.948 19.930 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 16.039 -39.180 9.792 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 16.692 -39.527 9.184 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 16.550 -38.691 10.438 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 3.195 -39.397 13.552 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 3.176 -39.822 14.409 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 4.000 -39.715 13.143 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 5.336 -40.687 12.207 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 5.117 -41.603 12.376 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 6.160 -40.547 12.673 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 7.873 -40.217 13.055 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 8.086 -41.105 12.768 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 7.938 -40.251 14.010 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 18.019 -39.400 7.800 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 17.825 -40.148 7.235 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 17.980 -38.642 7.216 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 11.720 -47.508 32.255 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 11.682 -48.154 32.960 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 11.397 -47.974 31.484 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 4.088 -47.893 33.848 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 4.130 -48.519 34.572 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 4.791 -47.270 34.030 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 1.622 -49.783 27.776 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 1.174 -48.937 27.758 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 1.061 -50.363 27.261 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 6.405 -52.580 30.261 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 6.448 -51.720 29.843 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 5.947 -53.132 29.628 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 3.025 -50.183 31.023 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 3.679 -50.733 31.455 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 3.049 -50.457 30.107 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 7.784 -45.986 34.623 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 7.044 -45.388 34.726 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 8.498 -45.432 34.307 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 4.809 -51.770 32.288 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 5.422 -51.137 32.661 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 5.321 -52.242 31.631 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.192 -44.022 35.410 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.186 -43.143 35.032 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 5.338 -44.105 35.835 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.508 -47.519 26.288 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 10.796 -46.984 25.937 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 12.199 -47.463 25.628 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 11.562 -49.061 23.327 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 12.263 -49.039 23.978 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 11.864 -49.689 22.671 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 18.877 -48.141 34.582 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 18.225 -47.446 34.671 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 19.342 -47.931 33.772 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 14.811 -49.135 36.308 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 14.891 -48.372 36.880 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 14.210 -48.856 35.617 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 6.926 -47.910 32.756 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 7.491 -47.789 31.993 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 7.245 -47.273 33.395 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 4.726 -47.313 36.702 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 4.796 -46.662 37.400 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 3.835 -47.210 36.367 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 1.642 -45.246 35.527 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 1.141 -45.274 34.712 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 1.648 -46.152 35.837 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 16.742 -50.307 38.573 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 16.335 -49.826 37.853 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 16.783 -51.212 38.266 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 3.891 -43.923 36.570 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 4.108 -44.284 37.430 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 3.036 -44.297 36.360 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.601 -50.487 33.661 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 5.959 -50.528 34.370 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 6.638 -49.561 33.423 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 6.598 -50.266 28.573 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 5.705 -50.607 28.514 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 7.049 -50.643 27.817 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 12.134 -49.850 27.390 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 11.725 -49.035 27.098 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.854 -49.990 26.775 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 11.236 -49.675 38.878 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 10.673 -50.379 39.198 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 12.062 -49.795 39.345 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 13.138 -50.404 30.204 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 12.943 -49.799 29.489 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 13.320 -51.238 29.769 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 4.351 -50.167 35.528 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 4.313 -49.767 36.396 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 3.860 -50.984 35.618 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 12.402 -48.766 34.875 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 12.726 -49.397 34.232 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 11.962 -49.301 35.536 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 9.180 -52.839 29.659 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 8.269 -52.782 29.948 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 9.685 -52.899 30.470 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 4.008 -51.210 28.486 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 3.119 -51.110 28.146 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 4.304 -52.052 28.140 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 7.661 -51.210 26.142 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 8.593 -51.081 26.320 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 7.446 -50.540 25.493 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 6.335 -50.015 23.709 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 5.793 -50.395 23.018 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 7.169 -49.821 23.280 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 4.470 -45.458 38.808 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 5.203 -45.204 39.369 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 3.690 -45.254 39.323 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 10.500 -50.051 31.546 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 11.064 -50.598 30.999 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 10.352 -50.573 32.335 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 16.820 -46.317 34.431 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.462 -45.860 33.888 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 15.990 -46.204 33.969 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 13.568 -52.636 23.844 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 12.630 -52.524 23.693 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 13.865 -51.779 24.150 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 14.286 -50.769 25.505 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 15.178 -50.906 25.824 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 14.343 -49.978 24.968 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 8.820 -48.177 38.942 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 8.524 -48.343 38.047 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 9.751 -48.397 38.932 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 19.171 -50.559 25.199 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 18.617 -50.955 24.527 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 19.272 -49.649 24.922 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 14.627 -46.965 32.686 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 13.699 -47.197 32.659 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 15.078 -47.742 32.356 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 2.925 -47.775 23.406 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.541 -47.148 23.785 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 2.063 -47.459 23.677 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 10.156 -51.820 27.109 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 10.968 -51.316 27.155 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 9.911 -51.965 28.023 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 10.692 -50.834 36.294 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 10.811 -50.260 37.051 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 11.347 -51.522 36.409 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 15.498 -49.176 31.225 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 14.701 -49.591 30.896 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 15.943 -49.867 31.716 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 4.956 -43.248 23.795 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 5.548 -42.549 24.071 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 5.415 -43.681 23.076 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 3.272 -50.584 22.911 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 3.227 -49.645 23.090 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 2.384 -50.820 22.641 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 2.206 -45.439 40.029 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 2.350 -46.341 39.743 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 1.433 -45.153 39.541 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 6.547 -45.095 22.161 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 6.611 -45.889 22.692 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 7.200 -45.214 21.472 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 8.861 -45.469 39.462 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 8.533 -45.198 38.604 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 9.013 -46.410 39.374 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 8.767 -48.880 22.730 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 8.587 -49.034 21.802 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.718 -48.772 22.774 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 18.157 -46.525 22.175 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 17.884 -46.950 21.362 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 18.197 -45.594 21.958 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 9.319 -48.066 35.638 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 10.070 -48.222 35.065 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 8.980 -47.214 35.362 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 13.735 -50.251 40.666 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 13.927 -51.182 40.555 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 14.592 -49.826 40.656 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 2.233 -43.553 23.214 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 3.147 -43.474 23.487 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 2.240 -44.240 22.547 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 19.010 -47.603 27.974 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 18.284 -48.082 28.372 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 19.591 -47.397 28.706 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 19.278 -47.702 24.365 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 18.757 -47.345 23.646 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 19.245 -47.027 25.043 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 17.627 -50.462 22.916 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 17.724 -49.795 22.236 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 17.487 -51.278 22.434 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 16.797 -49.082 28.537 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 16.647 -50.027 28.517 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 16.443 -48.801 29.381 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 1.832 -47.004 32.547 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 2.016 -47.086 31.612 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 2.681 -47.128 32.971 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 17.653 -47.112 38.176 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 18.236 -47.846 38.367 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 18.217 -46.340 38.222 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 19.150 -49.209 38.860 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 18.287 -49.588 38.695 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 19.754 -49.948 38.786 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 16.507 -51.499 26.999 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 16.787 -52.406 27.124 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 17.266 -51.065 26.610 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 17.148 -50.181 35.211 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 16.305 -49.913 35.577 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 17.591 -49.359 35.000 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 0.955 -50.422 32.648 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 1.447 -50.643 31.858 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 1.317 -49.581 32.929 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 3.424 -42.251 39.191 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 2.603 -42.076 38.731 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 3.172 -42.324 40.112 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 12.537 -39.464 49.625 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 13.157 -40.141 49.352 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 12.329 -39.682 50.533 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 12.584 -44.162 46.735 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 12.288 -44.484 45.884 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 12.260 -43.262 46.777 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 2.313 -44.351 45.048 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 2.041 -44.122 44.159 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 2.358 -43.513 45.508 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 14.190 -40.948 48.386 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 14.615 -41.655 47.901 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 14.507 -40.147 47.969 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.349 -43.047 46.895 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 15.092 -43.737 46.283 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 15.420 -43.490 47.740 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 11.508 -47.519 45.144 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 10.796 -46.984 44.793 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 12.199 -47.463 44.484 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 11.562 -49.061 42.183 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 12.263 -49.039 42.834 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 11.864 -49.689 41.527 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 14.914 -47.309 46.096 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 14.182 -47.081 46.669 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 15.361 -48.023 46.551 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 13.785 -48.147 43.781 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.364 -47.997 44.528 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.199 -47.676 43.058 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 11.511 -41.410 47.216 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 11.985 -41.115 47.994 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 10.948 -40.672 46.983 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 4.637 -39.665 47.412 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 4.789 -40.013 48.291 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 3.786 -40.021 47.157 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 15.262 -47.114 41.411 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 15.304 -47.337 40.481 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 16.111 -46.716 41.601 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 9.670 -45.450 44.501 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 8.926 -45.957 44.178 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 9.536 -45.401 45.447 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 11.796 -43.991 43.526 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 11.501 -43.165 43.908 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 11.093 -44.611 43.722 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 7.170 -42.637 47.675 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 7.697 -41.864 47.474 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.290 -42.412 47.373 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.597 -44.974 47.251 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.356 -44.049 47.293 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 7.857 -45.433 47.647 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 7.281 -39.952 46.796 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 6.331 -39.847 46.848 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 7.632 -39.132 47.141 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 15.725 -45.124 44.567 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 15.448 -45.852 45.123 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 16.652 -45.005 44.773 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 7.887 -43.115 43.244 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 8.034 -43.635 44.034 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 7.884 -42.208 43.550 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 4.340 -45.862 43.754 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 3.654 -45.510 44.321 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 4.863 -45.099 43.508 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 4.956 -43.248 42.651 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 5.548 -42.549 42.927 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 5.415 -43.681 41.932 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 16.585 -39.920 51.703 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 16.429 -39.242 51.046 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 17.517 -39.848 51.906 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 3.010 -41.862 46.601 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 2.178 -41.389 46.628 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 3.556 -41.352 46.002 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 6.547 -45.095 41.017 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 6.611 -45.889 41.548 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 7.200 -45.214 40.328 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 7.696 -47.123 43.323 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 7.237 -47.607 44.009 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 7.951 -47.791 42.687 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 8.767 -48.880 41.586 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 8.587 -49.034 40.658 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 9.718 -48.772 41.630 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 18.157 -46.525 41.031 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 17.884 -46.950 40.218 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 18.197 -45.594 40.814 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 2.233 -43.553 42.070 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 3.147 -43.474 42.343 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 2.240 -44.240 41.403 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 0.882 -38.160 47.147 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 0.235 -38.622 46.614 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 1.237 -38.832 47.730 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 1.752 -40.079 48.952 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 1.418 -40.960 49.124 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 1.974 -39.734 49.816 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 19.301 -39.270 51.932 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 19.279 -39.085 52.871 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 19.991 -38.701 51.591 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 18.616 -45.656 45.006 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 19.466 -45.235 45.134 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 18.621 -46.396 45.614 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 19.010 -47.603 46.830 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 18.284 -48.082 47.228 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 19.591 -47.397 47.562 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 19.278 -47.702 43.221 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 18.757 -47.345 42.502 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 19.245 -47.027 43.899 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 17.627 -50.462 41.772 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 17.724 -49.795 41.092 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 17.487 -51.278 41.290 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 10.958 -38.532 52.559 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 10.501 -38.003 51.905 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 11.121 -37.929 53.284 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 5.336 -40.687 49.919 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 5.117 -41.603 50.088 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 6.160 -40.547 50.385 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 16.872 -19.076 1.488 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 17.072 -18.652 0.653 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 17.528 -18.733 2.095 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 6.896 -21.474 2.983 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 7.664 -21.933 3.324 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 6.875 -21.700 2.053 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 12.787 -27.907 9.980 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 12.876 -26.963 9.848 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 12.148 -28.182 9.322 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 1.622 -30.927 8.920 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 1.174 -30.081 8.902 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 1.061 -31.507 8.405 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 14.127 -33.593 9.806 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 14.773 -33.922 10.431 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 14.637 -33.075 9.183 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 8.181 -29.777 11.383 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 8.797 -30.303 11.892 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 7.595 -30.417 10.979 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 12.584 -25.306 9.023 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 12.288 -25.628 8.172 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 12.260 -24.406 9.065 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 9.241 -37.500 12.932 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 9.124 -38.449 12.878 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 8.386 -37.168 13.205 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 11.508 -28.663 7.432 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 10.796 -28.128 7.081 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 12.199 -28.607 6.772 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 14.914 -28.453 8.384 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 14.182 -28.225 8.957 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 15.361 -29.167 8.839 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 13.785 -29.291 6.069 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 14.364 -29.141 6.816 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 14.199 -28.820 5.346 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 18.673 -23.175 4.259 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 18.746 -22.236 4.429 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 19.578 -23.480 4.202 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 10.983 -19.598 7.919 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 10.908 -19.719 6.973 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 11.016 -18.648 8.038 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 4.637 -20.809 9.700 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 4.789 -21.157 10.579 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 3.786 -21.165 9.445 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 14.085 -20.444 4.922 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 14.460 -21.188 4.451 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 14.089 -20.714 5.840 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 6.598 -31.410 9.717 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.705 -31.751 9.658 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 7.049 -31.787 8.961 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 12.134 -30.994 8.534 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 11.725 -30.179 8.242 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 12.854 -31.134 7.919 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 13.138 -31.548 11.348 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 12.943 -30.943 10.633 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 13.320 -32.382 10.913 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 0.959 -34.195 10.522 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 1.590 -34.224 11.242 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 1.409 -34.620 9.792 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 9.180 -33.983 10.803 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 8.269 -33.926 11.092 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 9.685 -34.043 11.614 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 4.008 -32.354 9.630 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 3.119 -32.254 9.290 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 4.304 -33.196 9.284 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 7.661 -32.354 7.286 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 8.593 -32.225 7.464 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 7.446 -31.684 6.637 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 6.335 -31.159 4.853 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 5.793 -31.539 4.162 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 7.169 -30.965 4.424 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 5.502 -35.059 9.108 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 5.185 -35.961 9.073 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 6.283 -35.057 8.556 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.670 -26.594 6.789 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 8.926 -27.101 6.466 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 9.536 -26.545 7.735 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 11.796 -25.135 5.814 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 11.501 -24.309 6.196 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 11.093 -25.755 6.010 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 17.467 -22.917 6.808 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 17.094 -23.743 7.118 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 17.744 -23.100 5.911 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 7.170 -23.781 9.963 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 7.697 -23.008 9.762 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 6.290 -23.556 9.661 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 2.925 -28.919 4.550 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 3.541 -28.292 4.929 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 2.063 -28.603 4.821 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 8.597 -26.118 9.539 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 8.356 -25.193 9.581 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 7.857 -26.577 9.935 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 7.281 -21.096 9.084 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 6.331 -20.991 9.136 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 7.632 -20.276 9.429 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 14.859 -24.941 4.629 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 15.212 -25.321 5.433 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 13.910 -25.034 4.715 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 19.363 -20.461 4.830 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 20.106 -19.875 4.690 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 18.668 -19.893 5.163 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 15.725 -26.268 6.855 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 15.448 -26.996 7.411 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 16.652 -26.149 7.061 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 7.887 -24.259 5.532 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 8.034 -24.779 6.322 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 7.884 -23.352 5.838 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 4.340 -27.006 6.042 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 3.654 -26.654 6.609 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 4.863 -26.243 5.796 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 10.625 -22.561 6.281 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 9.808 -22.064 6.334 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 11.154 -22.086 5.641 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 10.156 -32.964 8.253 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 10.968 -32.460 8.299 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 9.911 -33.109 9.167 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 11.040 -35.883 9.191 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 10.693 -35.265 9.836 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 11.698 -35.382 8.710 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 7.963 -21.518 6.263 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 8.124 -20.718 5.762 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 7.766 -21.211 7.148 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 4.956 -24.392 4.939 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 5.548 -23.693 5.215 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 5.415 -24.825 4.220 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 3.010 -23.006 8.889 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 2.178 -22.533 8.916 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 3.556 -22.496 8.290 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 15.592 -22.149 3.448 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 15.875 -22.943 3.901 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 16.332 -21.916 2.887 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 6.547 -26.239 3.305 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 6.611 -27.033 3.836 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 7.200 -26.358 2.616 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 7.696 -28.267 5.611 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 7.237 -28.751 6.297 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 7.951 -28.935 4.975 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 8.665 -19.333 4.875 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 9.598 -19.175 5.019 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 8.401 -18.658 4.250 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.233 -24.697 4.358 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 3.147 -24.618 4.631 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 2.240 -25.384 3.691 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 0.882 -19.304 9.435 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 0.235 -19.766 8.902 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 1.237 -19.976 10.018 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 1.752 -21.223 11.240 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 1.418 -22.104 11.412 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 1.974 -20.878 12.104 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 18.616 -26.800 7.294 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 19.466 -26.379 7.422 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 18.621 -27.540 7.902 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 19.010 -28.747 9.118 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 18.284 -29.226 9.516 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 19.591 -28.541 9.850 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 19.278 -28.846 5.509 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 18.757 -28.489 4.790 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 19.245 -28.171 6.187 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 16.797 -30.226 9.681 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 16.647 -31.171 9.661 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 16.443 -29.945 10.525 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 16.507 -32.643 8.143 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 16.787 -33.550 8.268 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 17.266 -32.209 7.754 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 17.121 -35.380 8.192 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 17.303 -35.829 9.017 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 16.521 -35.965 7.728 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 1.268 -35.308 7.847 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 0.343 -35.099 7.717 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 1.722 -34.824 7.157 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 3.195 -20.541 13.552 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 3.176 -20.966 14.409 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 4.000 -20.859 13.143 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 5.336 -21.831 12.207 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 5.117 -22.747 12.376 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 6.160 -21.691 12.673 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 18.251 -36.451 10.646 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 18.863 -36.965 10.119 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 18.634 -35.573 10.669 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.708 -37.063 10.022 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 2.931 -37.297 9.514 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 4.239 -37.860 10.030 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 8.288 -37.136 9.835 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 9.162 -36.748 9.805 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 8.152 -37.351 10.758 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 15.198 -37.080 7.177 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 14.495 -36.466 6.967 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 14.753 -37.918 7.308 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 2.446 -21.317 6.723 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 1.761 -21.355 6.055 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 2.449 -20.404 7.011 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 11.310 -20.107 5.120 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 12.176 -19.741 4.942 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 11.063 -20.547 4.307 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 18.019 -20.544 7.800 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 17.825 -21.292 7.235 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 17.980 -19.786 7.216 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 4.264 -20.397 3.748 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 3.996 -20.110 4.621 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 5.035 -20.943 3.900 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 17.035 -25.625 36.516 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 17.175 -26.216 35.777 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 17.203 -24.752 36.160 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 19.590 -22.944 38.093 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 19.541 -23.899 38.056 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 18.764 -22.676 38.495 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 16.872 -19.076 39.200 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 17.072 -18.652 38.365 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 17.528 -18.733 39.807 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 13.440 -23.948 36.832 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 12.539 -23.765 36.564 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 13.474 -23.689 37.753 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 19.135 -25.903 38.036 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 18.283 -25.665 37.669 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 19.725 -25.920 37.283 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 3.088 -22.280 34.722 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 3.305 -23.212 34.691 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 3.335 -22.006 35.606 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 2.299 -20.393 39.075 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 2.839 -20.610 39.834 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 1.818 -21.199 38.885 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 6.896 -21.474 40.695 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 7.664 -21.933 41.036 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 6.875 -21.700 39.765 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 13.473 -23.094 39.424 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 13.122 -23.950 39.667 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 14.199 -22.951 40.031 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 2.206 -26.583 40.029 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 2.350 -27.485 39.743 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 1.433 -26.297 39.541 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 14.596 -26.697 36.845 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 15.341 -26.109 36.725 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 13.839 -26.115 36.908 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 17.315 -25.057 40.636 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 16.449 -25.162 41.030 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 17.691 -24.298 41.083 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 18.769 -25.962 32.922 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 19.603 -26.340 32.641 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 18.881 -25.019 32.803 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 17.653 -28.256 38.176 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 18.236 -28.990 38.367 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 18.217 -27.484 38.222 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 19.150 -30.353 38.860 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 18.287 -30.732 38.695 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 19.754 -31.092 38.786 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 3.424 -23.395 39.191 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 2.603 -23.220 38.731 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 3.172 -23.468 40.112 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 10.689 -21.021 38.409 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 10.874 -21.355 39.287 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 11.536 -20.712 38.087 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 13.034 -19.736 37.653 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 13.711 -20.368 37.413 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 13.356 -19.334 38.461 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 3.780 -19.164 35.497 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 3.060 -18.724 35.046 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 3.414 -19.415 36.346 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 17.237 -21.793 38.806 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 16.455 -21.979 38.286 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 17.165 -20.864 39.023 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.720 -28.652 51.111 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 11.682 -29.298 51.816 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.397 -29.118 50.340 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 15.426 -25.713 49.413 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 14.985 -26.433 49.863 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 15.413 -24.992 50.043 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 1.622 -30.927 46.632 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 1.174 -30.081 46.614 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 1.061 -31.507 46.117 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 10.109 -26.219 51.517 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 10.413 -26.905 50.923 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 10.831 -26.101 52.135 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 18.772 -34.618 52.378 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 18.821 -34.008 53.114 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 19.198 -34.157 51.655 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 13.250 -31.825 51.845 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 13.393 -32.772 51.865 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 13.144 -31.618 50.916 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 6.405 -33.724 49.117 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 6.448 -32.864 48.699 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.947 -34.276 48.484 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 8.181 -29.777 49.095 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 8.797 -30.303 49.604 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 7.595 -30.417 48.691 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 16.238 -35.587 53.178 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 15.502 -34.976 53.140 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 16.922 -35.172 52.652 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 9.241 -37.500 50.644 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 9.124 -38.449 50.590 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.386 -37.168 50.917 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.190 -22.092 48.386 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 14.615 -22.799 47.901 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 14.507 -21.291 47.969 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 15.349 -24.191 46.895 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 15.092 -24.881 46.283 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 15.420 -24.634 47.740 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 6.559 -27.823 47.979 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 6.229 -28.193 47.160 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 7.147 -28.493 48.325 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 6.926 -29.054 51.612 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 7.491 -28.933 50.849 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 7.245 -28.417 52.251 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.511 -22.554 47.216 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 11.985 -22.259 47.994 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 10.948 -21.816 46.983 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 5.549 -28.753 45.568 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 5.257 -27.985 45.077 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 4.875 -29.413 45.405 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 6.598 -31.410 47.429 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 5.705 -31.751 47.370 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 7.049 -31.787 46.673 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 0.959 -34.195 48.234 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 1.590 -34.224 48.954 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 1.409 -34.620 47.504 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 2.234 -33.449 43.658 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 2.708 -32.858 43.073 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 1.516 -32.918 44.005 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 12.402 -29.910 53.731 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 12.726 -30.541 53.088 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 11.962 -30.445 54.392 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 9.180 -33.983 48.515 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 8.269 -33.926 48.804 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 9.685 -34.043 49.326 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.008 -32.354 47.342 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 3.119 -32.254 47.002 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 4.304 -33.196 46.996 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 7.661 -32.354 44.998 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 8.593 -32.225 45.176 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 7.446 -31.684 44.349 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 13.585 -34.748 51.779 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 12.908 -34.617 52.443 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 13.099 -34.903 50.969 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 10.500 -31.195 50.402 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 11.064 -31.742 49.855 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 10.352 -31.717 51.191 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 5.502 -35.059 46.820 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 5.185 -35.961 46.785 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 6.283 -35.057 46.268 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 9.126 -32.807 52.816 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.291 -32.353 52.926 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 9.650 -32.531 53.568 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 19.171 -31.703 44.055 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 18.617 -32.099 43.383 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 19.272 -30.793 43.778 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 17.467 -22.917 44.520 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 17.094 -23.743 44.830 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 17.744 -23.100 43.623 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 14.627 -28.109 51.542 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 13.699 -28.341 51.515 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 15.078 -28.886 51.212 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 7.170 -23.781 47.675 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 7.697 -23.008 47.474 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 6.290 -23.556 47.373 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 2.925 -28.919 42.262 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 3.541 -28.292 42.641 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 2.063 -28.603 42.533 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 8.597 -26.118 47.251 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 8.356 -25.193 47.293 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 7.857 -26.577 47.647 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 14.859 -24.941 42.341 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 15.212 -25.321 43.145 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 13.910 -25.034 42.427 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 7.887 -24.259 43.244 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 8.034 -24.779 44.034 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 7.884 -23.352 43.550 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 4.340 -27.006 43.754 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 3.654 -26.654 44.321 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 4.863 -26.243 43.508 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.172 -34.344 54.033 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 12.870 -34.270 54.683 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 11.791 -35.208 54.188 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 10.625 -22.561 43.993 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 9.808 -22.064 44.046 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 11.154 -22.086 43.353 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 7.963 -21.518 43.975 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 8.124 -20.718 43.474 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 7.766 -21.211 44.860 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 15.498 -30.320 50.081 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 14.701 -30.735 49.752 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 15.943 -31.011 50.572 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 4.956 -24.392 42.651 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 5.548 -23.693 42.927 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 5.415 -24.825 41.932 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 3.272 -31.728 41.767 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 3.227 -30.789 41.946 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.384 -31.964 41.497 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 4.080 -36.946 50.440 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 3.851 -36.887 49.513 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 3.637 -37.738 50.747 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 10.988 -21.966 40.926 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 10.344 -22.597 41.248 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 11.750 -22.497 40.694 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 15.592 -22.149 41.160 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 15.875 -22.943 41.613 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 16.332 -21.916 40.599 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 11.899 -25.192 40.753 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 11.631 -25.012 41.654 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 11.693 -26.118 40.622 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 18.157 -27.669 41.031 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 17.884 -28.094 40.218 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 18.197 -26.738 40.814 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.665 -19.333 42.587 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 9.598 -19.175 42.731 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 8.401 -18.658 41.962 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 2.233 -24.697 42.070 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 3.147 -24.618 42.343 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 2.240 -25.384 41.403 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 18.616 -26.800 45.006 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 19.466 -26.379 45.134 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 18.621 -27.540 45.614 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 19.010 -28.747 46.830 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 18.284 -29.226 47.228 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 19.591 -28.541 47.562 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 19.278 -28.846 43.221 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 18.757 -28.489 42.502 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 19.245 -28.171 43.899 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 16.797 -30.226 47.393 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 16.647 -31.171 47.373 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 16.443 -29.945 48.237 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 17.119 -32.062 51.291 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 18.052 -31.850 51.257 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 16.884 -31.960 52.214 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 17.148 -31.325 54.067 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 16.305 -31.057 54.433 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 17.591 -30.503 53.856 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 2.651 -34.565 50.435 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 3.096 -35.357 50.737 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 3.117 -33.849 50.866 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 11.382 -35.697 49.912 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 10.707 -36.326 50.167 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 11.946 -36.181 49.309 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 16.524 -37.590 50.024 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 17.128 -37.042 49.523 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 15.655 -37.270 49.784 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 3.708 -37.063 47.734 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 2.931 -37.297 47.226 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 4.239 -37.860 47.742 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 8.288 -37.136 47.547 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 9.162 -36.748 47.517 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 8.152 -37.351 48.470 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 13.845 -37.106 49.196 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 13.921 -37.011 48.247 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 13.569 -38.014 49.325 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 11.310 -20.107 42.832 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 12.176 -19.741 42.654 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 11.063 -20.547 42.019 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 4.264 -20.397 41.460 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 3.996 -20.110 42.333 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 5.035 -20.943 41.612 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 11.720 -9.796 -5.457 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 11.682 -10.442 -4.752 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 11.397 -10.262 -6.228 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 1.622 -12.071 -9.936 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 1.174 -11.225 -9.954 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 1.061 -12.651 -10.451 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 10.109 -7.363 -5.051 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 10.413 -8.049 -5.645 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 10.831 -7.245 -4.433 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 13.250 -12.969 -4.723 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 13.393 -13.916 -4.703 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 13.144 -12.762 -5.652 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.405 -14.868 -7.451 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 6.448 -14.008 -7.869 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.947 -15.420 -8.084 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 3.025 -12.471 -6.689 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 3.679 -13.021 -6.257 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 3.049 -12.745 -7.605 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 8.181 -10.921 -7.473 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 8.797 -11.447 -6.964 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 7.595 -11.561 -7.877 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 5.215 -15.950 -3.377 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 4.996 -15.420 -4.143 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 4.547 -15.723 -2.729 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 4.809 -14.058 -5.424 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 5.422 -13.425 -5.051 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.321 -14.530 -6.081 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 2.313 -6.639 -11.520 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 2.041 -6.410 -12.409 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 2.358 -5.801 -11.060 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 14.811 -11.423 -1.404 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 14.891 -10.660 -0.832 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 14.210 -11.144 -2.095 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 6.559 -8.967 -8.589 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 6.229 -9.337 -9.408 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 7.147 -9.637 -8.243 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 7.926 -5.539 -5.908 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 7.831 -6.117 -6.665 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 8.655 -5.910 -5.412 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 7.806 -5.799 -0.239 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 7.494 -5.017 0.217 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 7.156 -5.952 -0.925 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 5.549 -9.897 -11.000 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 5.257 -9.129 -11.491 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 4.875 -10.557 -11.163 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 10.569 -4.514 -0.743 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 10.656 -3.688 -0.268 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 9.705 -4.844 -0.494 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 4.637 -1.953 -9.156 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 4.789 -2.301 -8.277 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 3.786 -2.309 -9.411 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 16.742 -12.595 0.861 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 16.335 -12.114 0.141 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 16.783 -13.500 0.554 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 6.510 -17.741 -5.146 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 5.649 -17.828 -5.554 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 6.488 -16.885 -4.719 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 11.173 -18.019 -1.772 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 11.593 -18.434 -1.019 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 10.240 -18.197 -1.655 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 14.499 -14.263 -0.918 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 13.985 -14.389 -0.121 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 14.344 -13.351 -1.163 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 6.598 -12.554 -9.139 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 5.705 -12.895 -9.198 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 7.049 -12.931 -9.895 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 13.138 -12.692 -7.508 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 12.943 -12.087 -8.223 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 13.320 -13.526 -7.943 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 9.180 -15.127 -8.053 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 8.269 -15.070 -7.764 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 9.685 -15.187 -7.242 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 4.008 -13.498 -9.226 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 3.119 -13.398 -9.566 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 4.304 -14.340 -9.572 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 13.585 -15.892 -4.789 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 12.908 -15.761 -4.125 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 13.099 -16.047 -5.599 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 10.500 -12.339 -6.166 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 11.064 -12.886 -6.713 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 10.352 -12.861 -5.377 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 11.190 -7.554 -0.830 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 10.844 -7.935 -0.024 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 10.990 -6.620 -0.759 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 13.440 -5.092 -0.880 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 12.539 -4.909 -1.148 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 13.474 -4.833 0.041 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 14.627 -9.253 -5.026 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 13.699 -9.485 -5.053 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 15.078 -10.030 -5.356 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 7.170 -4.925 -8.893 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 7.697 -4.152 -9.094 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 6.290 -4.700 -9.195 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 8.597 -7.262 -9.317 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 8.356 -6.337 -9.275 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 7.857 -7.721 -8.921 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 9.112 -3.113 -3.002 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 9.475 -2.258 -3.235 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 9.644 -3.405 -2.261 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 7.281 -2.240 -9.772 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 6.331 -2.135 -9.720 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 7.632 -1.420 -9.427 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 12.656 -7.014 -3.301 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 12.230 -7.241 -2.475 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 13.237 -7.752 -3.484 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 3.437 -15.229 -1.425 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 2.544 -14.890 -1.492 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 3.338 -16.084 -1.007 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 12.172 -15.488 -2.535 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 12.870 -15.414 -1.885 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 11.791 -16.352 -2.380 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 16.896 -15.215 -0.583 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 15.980 -14.952 -0.671 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 17.232 -15.218 -1.480 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 3.010 -4.150 -9.967 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 2.178 -3.677 -9.940 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 3.556 -3.640 -10.566 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 13.473 -4.238 1.712 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 13.122 -5.094 1.955 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 14.199 -4.095 2.319 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 14.596 -7.841 -0.867 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 15.341 -7.253 -0.987 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 13.839 -7.259 -0.804 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 12.005 -9.047 2.389 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 12.958 -8.963 2.361 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 11.845 -9.758 3.008 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 13.735 -12.539 2.954 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 13.927 -13.470 2.843 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 14.592 -12.114 2.944 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 15.051 -9.750 1.032 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.770 -9.041 0.454 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 15.994 -9.823 0.881 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 8.543 -18.337 -1.882 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 8.445 -17.390 -1.988 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 7.800 -18.709 -2.358 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 12.523 -14.888 0.757 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 11.575 -14.856 0.889 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 12.835 -15.513 1.411 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 14.157 -16.254 2.762 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 14.060 -17.206 2.756 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 13.835 -15.985 3.623 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 8.765 -19.043 0.789 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 9.477 -19.683 0.775 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 8.664 -18.776 -0.125 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 9.118 -17.360 2.843 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 8.987 -17.836 2.022 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 8.519 -16.616 2.787 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 0.882 -0.448 -9.421 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 0.235 -0.910 -9.954 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 1.237 -1.120 -8.838 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 1.752 -2.367 -7.616 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 1.418 -3.248 -7.444 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 1.974 -2.022 -6.752 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 17.315 -6.201 2.924 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 16.449 -6.306 3.318 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 17.691 -5.442 3.371 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 19.150 -11.497 1.148 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 18.287 -11.876 0.983 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 19.754 -12.236 1.074 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 17.148 -12.469 -2.501 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 16.305 -12.201 -2.135 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 17.591 -11.647 -2.712 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 19.431 -18.489 2.853 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 19.781 -19.143 2.247 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 19.578 -17.652 2.413 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 2.651 -15.709 -6.133 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 3.096 -16.501 -5.831 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 3.117 -14.993 -5.702 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 0.955 -12.710 -5.064 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 1.447 -12.931 -5.854 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 1.317 -11.869 -4.783 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 18.951 -16.380 1.202 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 18.034 -16.109 1.166 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 19.074 -16.915 0.418 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 1.232 -17.714 -2.665 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 0.567 -17.960 -2.022 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 0.789 -17.092 -3.242 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 10.689 -2.165 0.697 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 10.874 -2.499 1.575 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 11.536 -1.856 0.375 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 10.958 -0.820 -4.009 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 10.501 -0.291 -4.663 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 11.121 -0.217 -3.284 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 5.336 -2.975 -6.649 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 5.117 -3.891 -6.480 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 6.160 -2.835 -6.183 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 7.873 -2.505 -5.801 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 8.086 -3.393 -6.088 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 7.938 -2.539 -4.846 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 11.382 -16.841 -6.656 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 10.707 -17.470 -6.401 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 11.946 -17.325 -7.259 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.666 -17.693 0.683 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 3.300 -18.458 1.126 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.579 -17.664 0.970 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 5.639 -18.342 2.219 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 6.538 -18.616 2.034 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 5.253 -19.085 2.683 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 14.061 -19.010 2.401 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 14.137 -19.436 3.255 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 14.954 -18.996 2.059 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 4.088 -10.181 14.992 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 4.130 -10.807 15.716 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 4.791 -9.558 15.174 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 15.426 -6.857 11.701 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 14.985 -7.577 12.151 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 15.413 -6.136 12.331 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 5.012 -5.731 13.527 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 4.642 -6.533 13.158 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 5.953 -5.900 13.574 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 2.332 -9.909 11.046 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 2.546 -10.679 11.573 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 3.070 -9.820 10.443 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 12.537 -1.752 11.913 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 13.157 -2.429 11.640 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 12.329 -1.970 12.821 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 10.109 -7.363 13.805 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 10.413 -8.049 13.211 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 10.831 -7.245 14.423 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 3.025 -12.471 12.167 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 3.679 -13.021 12.599 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 3.049 -12.745 11.251 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 19.164 -14.284 16.902 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 18.475 -13.626 16.807 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 19.179 -14.481 17.839 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 5.215 -15.950 15.479 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 4.996 -15.420 14.713 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 4.547 -15.723 16.127 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 7.784 -8.274 15.767 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 7.044 -7.676 15.870 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 8.498 -7.720 15.451 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 4.809 -14.058 13.432 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 5.422 -13.425 13.805 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 5.321 -14.530 12.775 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 2.313 -6.639 7.336 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 2.041 -6.410 6.447 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 2.358 -5.801 7.796 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 15.938 -5.017 14.049 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 14.996 -4.959 14.210 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 16.214 -4.111 13.912 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 14.190 -3.236 10.674 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 14.615 -3.943 10.189 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 14.507 -2.435 10.257 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 15.349 -5.335 9.183 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 15.092 -6.025 8.571 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 15.420 -5.778 10.028 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 18.877 -10.429 15.726 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 18.225 -9.734 15.815 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 19.342 -10.219 14.916 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 14.811 -11.423 17.452 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 14.891 -10.660 18.024 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 14.210 -11.144 16.761 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 7.926 -5.539 12.948 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 7.831 -6.117 12.191 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 8.655 -5.910 13.444 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 6.926 -10.198 13.900 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 7.491 -10.077 13.137 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 7.245 -9.561 14.539 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 13.235 -4.695 14.634 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 12.994 -4.033 15.282 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 13.037 -5.529 15.059 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 10.983 -0.742 7.919 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 10.908 -0.863 6.973 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 11.016 0.208 8.038 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 4.637 -1.953 9.700 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 4.789 -2.301 10.579 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 3.786 -2.309 9.445 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 14.085 -1.588 4.922 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 14.460 -2.332 4.451 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 14.089 -1.858 5.840 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 13.754 -1.662 7.671 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 12.819 -1.562 7.850 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 14.034 -2.371 8.249 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 16.742 -12.595 19.717 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 16.335 -12.114 18.997 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 16.783 -13.500 19.410 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 6.510 -17.741 13.710 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 5.649 -17.828 13.302 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 6.488 -16.885 14.137 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 15.262 -9.402 3.699 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 15.304 -9.625 2.769 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 16.111 -9.004 3.889 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 10.835 -15.526 4.369 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 10.581 -15.507 5.292 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 10.578 -16.398 4.068 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 6.601 -12.775 14.805 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 5.959 -12.816 15.514 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 6.638 -11.849 14.567 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 11.236 -11.963 20.022 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 10.673 -12.667 20.342 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 12.062 -12.083 20.489 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 4.351 -12.455 16.672 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 4.313 -12.055 17.540 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 3.860 -13.272 16.762 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 0.959 -15.339 10.522 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 1.590 -15.368 11.242 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 1.409 -15.764 9.792 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 12.402 -11.054 16.019 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 12.726 -11.685 15.376 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 11.962 -11.589 16.680 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 16.820 -8.605 15.575 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 17.462 -8.148 15.032 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 15.990 -8.492 15.113 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 13.568 -14.924 4.988 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 12.630 -14.812 4.837 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 13.865 -14.067 5.294 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 4.795 -8.443 12.558 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 5.540 -8.445 11.957 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 4.873 -9.267 13.040 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 8.820 -10.465 20.086 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 8.524 -10.631 19.191 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 9.751 -10.685 20.076 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 19.135 -7.047 19.180 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 18.283 -6.809 18.813 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 19.725 -7.064 18.427 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 17.467 -4.061 6.808 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 17.094 -4.887 7.118 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 17.744 -4.244 5.911 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 14.627 -9.253 13.830 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 13.699 -9.485 13.803 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 15.078 -10.030 13.500 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 7.281 -2.240 9.084 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 6.331 -2.135 9.136 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 7.632 -1.420 9.429 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 12.656 -7.014 15.555 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 12.230 -7.241 16.381 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 13.237 -7.752 15.372 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 14.859 -6.085 4.629 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 15.212 -6.465 5.433 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 13.910 -6.178 4.715 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 3.437 -15.229 17.431 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 2.544 -14.890 17.364 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 3.338 -16.084 17.849 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 15.725 -7.412 6.855 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 15.448 -8.140 7.411 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 16.652 -7.293 7.061 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 8.950 -4.973 3.076 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 9.189 -5.721 2.528 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 8.681 -5.361 3.908 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 10.692 -13.122 17.438 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 10.811 -12.548 18.195 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 11.347 -13.810 17.553 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 7.963 -2.662 6.263 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 8.124 -1.862 5.762 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 7.766 -2.355 7.148 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 16.896 -15.215 18.273 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 15.980 -14.952 18.185 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 17.232 -15.218 17.376 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 4.080 -18.090 12.728 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 3.851 -18.031 11.801 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 3.637 -18.882 13.035 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 3.010 -4.150 8.889 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 2.178 -3.677 8.916 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 3.556 -3.640 8.290 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 10.988 -3.110 3.214 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 10.344 -3.741 3.536 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 11.750 -3.641 2.982 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 11.899 -6.336 3.041 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 11.631 -6.156 3.942 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 11.693 -7.262 2.910 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 3.038 -10.527 20.593 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 3.446 -11.384 20.472 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 2.778 -10.512 21.514 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 6.985 -11.518 17.967 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 6.367 -10.843 18.248 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 7.329 -11.197 17.134 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 12.005 -9.047 21.245 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 12.958 -8.963 21.217 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 11.845 -9.758 21.864 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 18.157 -8.813 3.319 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 17.884 -9.238 2.506 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 18.197 -7.882 3.102 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 7.325 -14.163 19.050 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 7.475 -14.892 18.447 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 7.327 -13.386 18.491 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 7.737 -15.793 16.542 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 8.273 -15.342 15.890 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 6.885 -15.901 16.120 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 9.319 -10.354 16.782 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 10.070 -10.510 16.209 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 8.980 -9.502 16.506 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 13.735 -12.539 21.810 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 13.927 -13.470 21.699 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 14.592 -12.114 21.800 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 15.051 -9.750 19.888 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 14.770 -9.041 19.310 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 15.994 -9.823 19.737 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 8.665 -0.477 4.875 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 9.598 -0.319 5.019 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 8.401 0.198 4.250 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 0.882 -0.448 9.435 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 0.235 -0.910 8.902 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 1.237 -1.120 10.018 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 18.616 -7.944 7.294 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 19.466 -7.523 7.422 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 18.621 -8.684 7.902 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 19.278 -9.990 5.509 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 18.757 -9.633 4.790 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 19.245 -9.315 6.187 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 17.627 -12.750 4.060 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 17.724 -12.083 3.380 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 17.487 -13.566 3.578 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 1.832 -9.292 13.691 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 2.016 -9.374 12.756 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 2.681 -9.416 14.115 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 17.653 -9.400 19.320 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 18.236 -10.134 19.511 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 18.217 -8.628 19.366 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 19.150 -11.497 20.004 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 18.287 -11.876 19.839 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 19.754 -12.236 19.930 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 16.875 -15.342 3.177 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 17.485 -15.714 3.814 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 16.038 -15.764 3.373 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 17.148 -12.469 16.355 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 16.305 -12.201 16.721 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 17.591 -11.647 16.144 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 1.430 -14.021 19.832 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 2.349 -14.143 20.068 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 0.980 -14.771 20.221 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 2.651 -15.709 12.723 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 3.096 -16.501 13.025 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 3.117 -14.993 13.154 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 0.955 -12.710 13.792 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 1.447 -12.931 13.002 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 1.317 -11.869 14.073 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 18.951 -16.380 20.058 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 18.034 -16.109 20.022 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 19.074 -16.915 19.274 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 18.987 -16.457 4.720 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 19.400 -17.178 4.244 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 19.669 -15.787 4.778 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 1.268 -16.452 7.847 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 0.343 -16.243 7.717 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 1.722 -15.968 7.157 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.039 -1.468 9.792 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 16.692 -1.815 9.184 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 16.550 -0.979 10.438 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 1.232 -17.714 16.191 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 0.567 -17.960 16.834 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 0.789 -17.092 15.614 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 5.336 -2.975 12.207 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 5.117 -3.891 12.376 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 6.160 -2.835 12.673 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 7.873 -2.505 13.055 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 8.086 -3.393 12.768 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 7.938 -2.539 14.010 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 3.708 -18.207 10.022 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 2.931 -18.441 9.514 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 4.239 -19.004 10.030 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 2.545 -18.409 5.825 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 2.984 -17.798 5.234 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 1.911 -17.871 6.299 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 11.310 -1.251 5.120 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 12.176 -0.885 4.942 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 11.063 -1.691 4.307 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 3.666 -17.693 19.539 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 3.300 -18.458 19.982 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 4.579 -17.664 19.826 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 12.787 -9.051 28.836 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 12.876 -8.107 28.704 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 12.148 -9.326 28.178 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 11.720 -9.796 32.255 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 11.682 -10.442 32.960 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 11.397 -10.262 31.484 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 15.426 -6.857 30.557 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 14.985 -7.577 31.007 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 15.413 -6.136 31.187 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 1.622 -12.071 27.776 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 1.174 -11.225 27.758 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 1.061 -12.651 27.261 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 2.332 -9.909 29.902 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 2.546 -10.679 30.429 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 3.070 -9.820 29.299 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 13.250 -12.969 32.989 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 13.393 -13.916 33.009 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 13.144 -12.762 32.060 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 3.025 -12.471 31.023 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 3.679 -13.021 31.455 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 3.049 -12.745 30.107 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 8.181 -10.921 30.239 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 8.797 -11.447 30.748 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 7.595 -11.561 29.835 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 19.164 -14.284 35.758 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 18.475 -13.626 35.663 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 19.179 -14.481 36.695 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 5.215 -15.950 34.335 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 4.996 -15.420 33.569 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 4.547 -15.723 34.983 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 4.809 -14.058 32.288 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 5.422 -13.425 32.661 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 5.321 -14.530 31.631 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 11.508 -9.807 26.288 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 10.796 -9.272 25.937 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 12.199 -9.751 25.628 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 11.562 -11.349 23.327 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 12.263 -11.327 23.978 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 11.864 -11.977 22.671 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 18.877 -10.429 34.582 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 18.225 -9.734 34.671 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 19.342 -10.219 33.772 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 14.914 -9.597 27.240 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 14.182 -9.369 27.813 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 15.361 -10.311 27.695 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 6.559 -8.967 29.123 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 6.229 -9.337 28.304 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 7.147 -9.637 29.469 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 13.785 -10.435 24.925 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 14.364 -10.285 25.672 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 14.199 -9.964 24.202 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 5.549 -9.897 26.712 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 5.257 -9.129 26.221 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 4.875 -10.557 26.549 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 16.742 -12.595 38.573 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 16.335 -12.114 37.853 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 16.783 -13.500 38.266 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 11.173 -18.019 35.940 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 11.593 -18.434 36.693 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 10.240 -18.197 36.057 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 14.499 -14.263 36.794 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 13.985 -14.389 37.591 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 14.344 -13.351 36.549 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 15.262 -9.402 22.555 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 15.304 -9.625 21.625 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 16.111 -9.004 22.745 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 6.601 -12.775 33.661 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 5.959 -12.816 34.370 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 6.638 -11.849 33.423 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 6.598 -12.554 28.573 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 5.705 -12.895 28.514 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 7.049 -12.931 27.817 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 10.500 -12.339 31.546 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 11.064 -12.886 30.999 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 10.352 -12.861 32.335 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 9.126 -13.951 33.960 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 8.291 -13.497 34.070 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 9.650 -13.675 34.712 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 16.820 -8.605 34.431 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 17.462 -8.148 33.888 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 15.990 -8.492 33.969 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 14.627 -9.253 32.686 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 13.699 -9.485 32.659 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 15.078 -10.030 32.356 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 2.925 -10.063 23.406 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 3.541 -9.436 23.785 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 2.063 -9.747 23.677 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 3.437 -15.229 36.287 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 2.544 -14.890 36.220 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 3.338 -16.084 36.705 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 15.725 -7.412 25.711 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 15.448 -8.140 26.267 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 16.652 -7.293 25.917 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 4.340 -8.150 24.898 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 3.654 -7.798 25.465 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 4.863 -7.387 24.652 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 12.172 -15.488 35.177 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 12.870 -15.414 35.827 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 11.791 -16.352 35.332 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 10.692 -13.122 36.294 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 10.811 -12.548 37.051 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 11.347 -13.810 36.409 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 16.896 -15.215 37.129 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 15.980 -14.952 37.041 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 17.232 -15.218 36.232 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 7.696 -9.411 24.467 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 7.237 -9.895 25.153 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 7.951 -10.079 23.831 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 8.767 -11.168 22.730 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 8.587 -11.322 21.802 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 9.718 -11.060 22.774 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 18.157 -8.813 22.175 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 17.884 -9.238 21.362 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 18.197 -7.882 21.958 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 7.737 -15.793 35.398 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 8.273 -15.342 34.746 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 6.885 -15.901 34.976 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 8.543 -18.337 35.830 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 8.445 -17.390 35.724 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 7.800 -18.709 35.354 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 12.523 -14.888 38.469 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 11.575 -14.856 38.601 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 12.835 -15.513 39.123 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 8.765 -19.043 38.501 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 9.477 -19.683 38.487 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 8.664 -18.776 37.587 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 18.616 -7.944 26.150 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 19.466 -7.523 26.278 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 18.621 -8.684 26.758 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 19.010 -9.891 27.974 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 18.284 -10.370 28.372 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 19.591 -9.685 28.706 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 18.769 -7.106 32.922 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 19.603 -7.484 32.641 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 18.881 -6.163 32.803 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 19.278 -9.990 24.365 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 18.757 -9.633 23.646 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 19.245 -9.315 25.043 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 17.627 -12.750 22.916 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 17.724 -12.083 22.236 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 17.487 -13.566 22.434 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 19.150 -11.497 38.860 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 18.287 -11.876 38.695 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 19.754 -12.236 38.786 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 17.148 -12.469 35.211 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 16.305 -12.201 35.577 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 17.591 -11.647 35.000 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.431 -18.489 40.565 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 19.781 -19.143 39.959 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.578 -17.652 40.125 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 2.651 -15.709 31.579 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 3.096 -16.501 31.881 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 3.117 -14.993 32.010 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 0.955 -12.710 32.648 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 1.447 -12.931 31.858 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 1.317 -11.869 32.929 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 18.951 -16.380 38.914 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.034 -16.109 38.878 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.074 -16.915 38.130 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 1.232 -17.714 35.047 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 0.567 -17.960 35.690 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 0.789 -17.092 34.470 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 3.666 -17.693 38.395 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 3.300 -18.458 38.838 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 4.579 -17.664 38.682 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 5.639 -18.342 39.931 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 6.538 -18.616 39.746 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 5.253 -19.085 40.395 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 14.061 -19.010 40.113 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 14.137 -19.436 40.967 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 14.954 -18.996 39.771 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 16.875 -15.342 40.889 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 17.485 -15.714 41.526 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 16.038 -15.764 41.085 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 4.088 8.675 -3.864 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 4.130 8.049 -3.140 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 4.791 9.298 -3.682 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 2.332 8.947 -7.810 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 2.546 8.177 -7.283 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 3.070 9.036 -8.413 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 6.405 3.988 -7.451 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 6.448 4.848 -7.869 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 5.947 3.436 -8.084 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 3.025 6.385 -6.689 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 3.679 5.835 -6.257 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 3.049 6.111 -7.605 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 8.181 7.935 -7.473 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 8.797 7.409 -6.964 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 7.595 7.295 -7.877 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 9.241 0.212 -5.924 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 9.124 -0.737 -5.978 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 8.386 0.544 -5.651 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 6.926 8.658 -4.956 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 7.491 8.779 -5.719 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 7.245 9.295 -4.317 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 4.726 9.255 -1.010 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 4.796 9.906 -0.312 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 3.835 9.358 -1.345 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 11.173 0.837 -1.772 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 11.593 0.422 -1.019 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 10.240 0.659 -1.655 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 6.598 6.302 -9.139 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 5.705 5.961 -9.198 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 7.049 5.925 -9.895 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 0.959 3.517 -8.334 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 1.590 3.488 -7.614 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 1.409 3.092 -9.064 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 9.180 3.729 -8.053 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 8.269 3.786 -7.764 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 9.685 3.669 -7.242 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 4.008 5.358 -9.226 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 3.119 5.458 -9.566 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 4.304 4.516 -9.572 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 10.500 6.517 -6.166 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 11.064 5.970 -6.713 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 10.352 5.995 -5.377 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 5.502 2.653 -9.748 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 5.185 1.751 -9.783 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 6.283 2.655 -10.300 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 9.126 4.905 -3.752 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 8.291 5.359 -3.642 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 9.650 5.181 -3.000 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 1.803 8.874 -0.983 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 2.026 8.456 -0.151 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 1.201 8.261 -1.405 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 12.172 3.368 -2.535 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 12.870 3.442 -1.885 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 11.791 2.504 -2.380 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 10.692 5.734 -1.418 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 10.811 6.308 -0.661 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 11.347 5.046 -1.303 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 3.038 8.329 1.737 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 3.446 7.472 1.616 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 2.778 8.344 2.658 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 6.985 7.338 -0.889 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 6.367 8.013 -0.608 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 7.329 7.659 -1.722 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 7.325 4.693 0.194 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 7.475 3.964 -0.409 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 7.327 5.470 -0.365 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 9.319 8.502 -2.074 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 10.070 8.346 -2.647 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 8.980 9.354 -2.350 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 5.803 5.891 2.105 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 5.036 5.359 1.895 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 6.482 5.581 1.506 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 8.543 0.519 -1.882 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 8.445 1.466 -1.988 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 7.800 0.147 -2.358 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 9.807 4.841 1.681 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 9.571 4.621 2.583 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 9.024 4.634 1.172 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 8.765 -0.187 0.789 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 9.477 -0.827 0.775 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 8.664 0.080 -0.125 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 9.118 1.496 2.843 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 8.987 1.020 2.022 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 8.519 2.240 2.787 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 1.832 9.564 -5.165 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 2.016 9.482 -6.100 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 2.681 9.440 -4.741 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 0.955 6.146 -5.064 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 1.447 5.925 -5.854 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 1.317 6.987 -4.783 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 11.382 2.015 -6.656 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 10.707 1.386 -6.401 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 11.946 1.531 -7.259 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 3.708 0.649 -8.834 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 2.931 0.415 -9.342 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 4.239 -0.148 -8.826 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 8.288 0.576 -9.021 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 9.162 0.964 -9.051 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 8.152 0.361 -8.098 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 7.717 3.775 3.470 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 7.286 3.330 4.200 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 6.999 4.147 2.958 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 2.234 4.263 5.946 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 2.708 4.854 5.361 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 1.516 4.794 6.293 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 6.335 6.553 4.853 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 5.793 6.173 4.162 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 7.169 6.747 4.424 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 6.697 2.892 5.879 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 6.614 3.781 6.225 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 7.587 2.627 6.110 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 3.272 5.984 4.055 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 3.227 6.923 4.234 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 2.384 5.748 3.785 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 1.268 2.404 7.847 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 0.343 2.613 7.717 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 1.722 2.888 7.157 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 3.708 0.649 10.022 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 2.931 0.415 9.514 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 4.239 -0.148 10.030 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 8.288 0.576 9.835 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 9.162 0.964 9.805 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 8.152 0.361 10.758 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 4.406 2.363 4.268 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 4.897 1.733 3.740 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 5.029 2.659 4.931 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 23.868 -43.443 13.527 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 23.498 -44.245 13.158 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 24.809 -43.612 13.574 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 25.048 -44.022 16.554 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 25.042 -43.143 16.176 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 24.194 -44.105 16.979 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.662 -43.511 18.617 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 26.350 -42.729 19.073 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.012 -43.664 17.931 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 23.582 -47.313 17.846 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 23.652 -46.662 18.544 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 22.691 -47.210 17.511 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 24.901 -41.439 19.381 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.909 -41.575 18.433 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 23.985 -41.557 19.633 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 20.498 -45.246 16.671 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 19.997 -45.274 15.856 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 20.504 -46.152 16.981 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.249 -42.466 13.555 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 21.195 -42.610 13.536 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.136 -41.682 14.092 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 22.747 -43.923 17.714 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 22.964 -44.284 18.574 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 21.892 -44.297 17.504 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 20.659 -47.694 17.873 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 20.882 -48.112 18.705 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 20.057 -48.307 17.451 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 27.968 -40.825 15.854 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 28.331 -39.970 15.621 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 28.500 -41.117 16.595 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 25.752 -40.330 21.839 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 26.520 -40.789 22.180 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 25.731 -40.556 20.909 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 27.717 -45.469 20.606 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 27.389 -45.198 19.748 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.869 -46.410 20.518 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 21.894 -48.239 20.593 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 22.302 -49.096 20.472 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 21.634 -48.224 21.514 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 19.738 -38.160 9.435 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 19.091 -38.622 8.902 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 20.093 -38.832 10.018 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 20.608 -40.079 11.240 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 20.274 -40.960 11.412 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.830 -39.734 12.104 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 20.688 -47.004 13.691 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 20.872 -47.086 12.756 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.537 -47.128 14.115 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 25.234 -41.276 16.594 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 24.809 -40.467 16.311 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 26.139 -41.191 16.292 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 29.545 -39.877 19.553 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 29.730 -40.211 20.431 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 30.392 -39.568 19.231 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 25.103 -38.420 15.671 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 24.238 -38.348 16.075 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 25.048 -37.873 14.887 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.051 -39.397 13.552 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 22.032 -39.822 14.409 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.856 -39.715 13.143 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 24.192 -40.687 12.207 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 23.973 -41.603 12.376 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.016 -40.547 12.673 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.944 -47.893 33.848 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 22.986 -48.519 34.572 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 23.647 -47.270 34.030 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 20.478 -49.783 27.776 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 20.030 -48.937 27.758 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 19.917 -50.363 27.261 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 21.188 -47.621 29.902 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 21.402 -48.391 30.429 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 21.926 -47.532 29.299 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 28.965 -45.075 32.661 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 29.269 -45.761 32.067 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 29.687 -44.957 33.279 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 27.037 -48.633 30.239 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 27.653 -49.159 30.748 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 26.451 -49.273 29.835 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 26.640 -45.986 34.623 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 25.900 -45.388 34.726 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 27.354 -45.432 34.307 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 25.048 -44.022 35.410 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 25.042 -43.143 35.032 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 24.194 -44.105 35.835 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 25.415 -46.679 29.123 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 25.085 -47.049 28.304 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 26.003 -47.349 29.469 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 26.782 -43.251 31.804 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 26.687 -43.829 31.047 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 27.511 -43.622 32.300 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 25.782 -47.910 32.756 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 26.347 -47.789 31.993 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 26.101 -47.273 33.395 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 26.662 -43.511 37.473 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 26.350 -42.729 37.929 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 26.012 -43.664 36.787 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 23.582 -47.313 36.702 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 23.652 -46.662 37.400 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 22.691 -47.210 36.367 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 30.367 -41.410 28.360 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 30.841 -41.115 29.138 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 29.804 -40.672 28.127 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 24.901 -41.439 38.237 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 24.909 -41.575 37.289 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 23.985 -41.557 38.489 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 24.405 -47.609 26.712 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 24.113 -46.841 26.221 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 23.731 -48.269 26.549 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 29.839 -38.454 26.775 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 29.764 -38.575 25.829 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 29.872 -37.504 26.894 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 23.207 -50.167 35.528 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 23.169 -49.767 36.396 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 22.716 -50.984 35.618 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 25.191 -50.015 23.709 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 24.649 -50.395 23.018 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 26.025 -49.821 23.280 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 23.326 -45.458 38.808 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 24.059 -45.204 39.369 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 22.546 -45.254 39.323 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 28.526 -45.450 25.645 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 27.782 -45.957 25.322 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 28.392 -45.401 26.591 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 23.651 -46.155 31.414 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.396 -46.157 30.813 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 23.729 -46.979 31.896 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 30.652 -43.991 24.670 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 30.357 -43.165 25.052 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 29.949 -44.611 24.866 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 20.659 -47.694 36.729 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 20.882 -48.112 37.561 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 20.057 -48.307 36.307 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 21.781 -47.775 23.406 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 22.397 -47.148 23.785 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 20.919 -47.459 23.677 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 27.453 -44.974 28.395 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 27.212 -44.049 28.437 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 26.713 -45.433 28.791 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 27.968 -40.825 34.710 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 28.331 -39.970 34.477 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 28.500 -41.117 35.451 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.806 -42.685 21.932 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 28.045 -43.433 21.384 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 27.537 -43.073 22.764 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 29.481 -41.417 25.137 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 28.664 -40.920 25.190 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 30.010 -40.942 24.497 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 26.819 -40.374 25.119 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 26.980 -39.574 24.618 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 26.622 -40.067 26.004 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 22.128 -50.584 22.911 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 22.083 -49.645 23.090 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 21.240 -50.820 22.641 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 25.752 -40.330 40.695 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 26.520 -40.789 41.036 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 25.731 -40.556 39.765 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 29.844 -40.822 22.070 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 29.200 -41.453 22.392 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 30.606 -41.353 21.838 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 21.062 -45.439 40.029 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 21.206 -46.341 39.743 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 20.289 -45.153 39.541 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 21.894 -48.239 39.449 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.302 -49.096 39.328 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 21.634 -48.224 40.370 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 26.552 -47.123 24.467 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 26.093 -47.607 25.153 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.807 -47.791 23.831 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 27.623 -48.880 22.730 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.443 -49.034 21.802 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.574 -48.772 22.774 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 27.521 -38.189 23.731 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 28.454 -38.031 23.875 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 27.257 -37.514 23.106 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 20.688 -47.004 32.547 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 20.872 -47.086 31.612 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 21.537 -47.128 32.971 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 22.280 -42.251 39.191 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 21.459 -42.076 38.731 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 22.028 -42.324 40.112 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 25.234 -41.276 35.450 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 24.809 -40.467 35.167 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 26.139 -41.191 35.148 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 25.103 -38.420 34.527 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 24.238 -38.348 34.931 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 25.048 -37.873 33.743 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.729 -40.217 31.911 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.942 -41.105 31.624 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.794 -40.251 32.866 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 30.166 -38.963 23.976 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 31.032 -38.597 23.798 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 29.919 -39.403 23.163 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 21.169 -44.351 45.048 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 20.897 -44.122 44.159 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 21.214 -43.513 45.508 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 23.493 -39.665 47.412 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 23.645 -40.013 48.291 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 22.642 -40.021 47.157 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 21.781 -47.775 42.262 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 22.397 -47.148 42.641 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 20.919 -47.459 42.533 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 23.196 -45.862 43.754 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 22.510 -45.510 44.321 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 23.719 -45.099 43.508 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 23.812 -43.248 42.651 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 24.404 -42.549 42.927 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 24.271 -43.681 41.932 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 21.866 -41.862 46.601 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 21.034 -41.389 46.628 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 22.412 -41.352 46.002 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 25.403 -45.095 41.017 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.467 -45.889 41.548 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 26.056 -45.214 40.328 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 19.738 -38.160 47.147 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 19.091 -38.622 46.614 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 20.093 -38.832 47.730 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 20.608 -40.079 48.952 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 20.274 -40.960 49.124 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 20.830 -39.734 49.816 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 23.120 -39.253 41.460 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 22.852 -38.966 42.333 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 23.891 -39.799 41.612 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 30.576 -28.652 13.399 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 30.538 -29.298 14.104 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 30.253 -29.118 12.628 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 20.478 -30.927 8.920 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 20.030 -30.081 8.902 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 19.917 -31.507 8.405 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 31.393 -20.608 11.913 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 32.013 -21.285 11.640 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 31.185 -20.826 12.821 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 28.965 -26.219 13.805 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 29.269 -26.905 13.211 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 29.687 -26.101 14.423 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 25.261 -33.724 11.405 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 25.304 -32.864 10.987 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 24.803 -34.276 10.772 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 27.037 -29.777 11.383 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 27.653 -30.303 11.892 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 26.451 -30.417 10.979 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 24.071 -34.806 15.479 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 23.852 -34.276 14.713 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 23.403 -34.579 16.127 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 23.665 -32.914 13.432 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 24.278 -32.281 13.805 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 24.177 -33.386 12.775 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 21.169 -25.495 7.336 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 20.897 -25.266 6.447 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.214 -24.657 7.796 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 25.415 -27.823 10.267 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.085 -28.193 9.448 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 26.003 -28.493 10.613 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 26.782 -24.395 12.948 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 26.687 -24.973 12.191 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 27.511 -24.766 13.444 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 25.782 -29.054 13.900 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 26.347 -28.933 13.137 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 26.101 -28.417 14.539 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 32.091 -23.551 14.634 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 31.850 -22.889 15.282 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 31.893 -24.385 15.059 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 24.405 -28.753 7.856 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 24.113 -27.985 7.365 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 23.731 -29.413 7.693 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 29.425 -23.370 18.113 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 29.512 -22.544 18.588 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 28.561 -23.700 18.362 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 23.493 -20.809 9.700 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 23.645 -21.157 10.579 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.642 -21.165 9.445 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 25.366 -36.597 13.710 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 24.505 -36.684 13.302 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 25.344 -35.741 14.137 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 25.457 -31.631 14.805 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 24.815 -31.672 15.514 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 25.494 -30.705 14.567 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.454 -31.410 9.717 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 24.561 -31.751 9.658 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 25.905 -31.787 8.961 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 30.092 -30.819 20.022 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 29.529 -31.523 20.342 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 30.918 -30.939 20.489 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 19.815 -34.195 10.522 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 20.446 -34.224 11.242 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 20.265 -34.620 9.792 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 31.258 -29.910 16.019 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 31.582 -30.541 15.376 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 30.818 -30.445 16.680 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 22.864 -32.354 9.630 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 21.975 -32.254 9.290 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.160 -33.196 9.284 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 27.982 -32.807 15.104 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 27.147 -32.353 15.214 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.506 -32.531 15.856 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 30.046 -26.410 18.026 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 29.700 -26.791 18.832 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.846 -25.476 18.097 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 32.296 -23.948 17.976 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 31.395 -23.765 17.708 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 32.330 -23.689 18.897 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 26.026 -23.781 9.963 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 26.553 -23.008 9.762 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 25.146 -23.556 9.661 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 27.453 -26.118 9.539 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 27.212 -25.193 9.581 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 26.713 -26.577 9.935 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 26.137 -21.096 9.084 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 25.187 -20.991 9.136 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.488 -20.276 9.429 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 31.512 -25.870 15.555 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 31.086 -26.097 16.381 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 32.093 -26.608 15.372 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 34.171 -21.318 18.024 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 33.569 -21.873 17.529 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 34.452 -20.651 17.398 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 29.548 -31.978 17.438 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 29.667 -31.404 18.195 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 30.203 -32.666 17.553 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 22.936 -36.946 12.728 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 22.707 -36.887 11.801 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 22.493 -37.738 13.035 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 21.866 -23.006 8.889 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 21.034 -22.533 8.916 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 22.412 -22.496 8.290 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 32.329 -23.094 20.568 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 31.978 -23.950 20.811 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 33.055 -22.951 21.175 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 33.452 -26.697 17.989 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 34.197 -26.109 17.869 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 32.695 -26.115 18.052 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.841 -30.374 17.967 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 25.223 -29.699 18.248 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 26.185 -30.053 17.134 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 30.861 -27.903 21.245 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 31.814 -27.819 21.217 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 30.701 -28.614 21.864 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 26.181 -33.019 19.050 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 26.331 -33.748 18.447 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 26.183 -32.242 18.491 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 26.593 -34.649 16.542 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 27.129 -34.198 15.890 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 25.741 -34.757 16.120 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 28.175 -29.210 16.782 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 28.926 -29.366 16.209 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 27.836 -28.358 16.506 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.659 -31.821 20.961 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 23.892 -32.353 20.751 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.338 -32.131 20.362 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 27.399 -37.193 16.974 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 27.301 -36.246 16.868 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 26.656 -37.565 16.498 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 28.663 -32.871 20.537 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 28.427 -33.091 21.439 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 27.880 -33.078 20.028 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 27.621 -37.899 19.645 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 28.333 -38.539 19.631 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 27.520 -37.632 18.731 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 27.974 -36.216 21.699 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 27.843 -36.692 20.878 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 27.375 -35.472 21.643 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 19.738 -19.304 9.435 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 19.091 -19.766 8.902 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 20.093 -19.976 10.018 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 21.507 -34.565 12.723 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.952 -35.357 13.025 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.973 -33.849 13.154 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 20.124 -35.308 7.847 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 19.199 -35.099 7.717 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 20.578 -34.824 7.157 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 31.890 -19.736 18.797 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 32.567 -20.368 18.557 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 32.212 -19.334 19.605 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 32.141 -20.798 15.792 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 31.237 -20.633 15.526 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 32.570 -19.945 15.726 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 34.746 -19.228 16.087 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 34.564 -18.312 15.876 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 34.922 -19.638 15.240 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 24.192 -21.831 12.207 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 23.973 -22.747 12.376 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 25.016 -21.691 12.673 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 26.729 -21.361 13.055 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 26.942 -22.249 12.768 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 26.794 -21.395 14.010 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 22.564 -37.063 10.022 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 21.787 -37.297 9.514 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 23.095 -37.860 10.030 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 21.302 -21.317 6.723 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 20.617 -21.355 6.055 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 21.305 -20.404 7.011 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 22.944 -29.037 33.848 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 22.986 -29.663 34.572 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 23.647 -28.414 34.030 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 23.868 -24.587 32.383 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 23.498 -25.389 32.014 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 24.809 -24.756 32.430 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 31.393 -20.608 30.769 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 32.013 -21.285 30.496 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 31.185 -20.826 31.677 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 25.261 -33.724 30.261 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 25.304 -32.864 29.843 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 24.803 -34.276 29.628 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 27.037 -29.777 30.239 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 27.653 -30.303 30.748 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 26.451 -30.417 29.835 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 26.640 -27.130 34.623 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 25.900 -26.532 34.726 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 27.354 -26.576 34.307 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 28.097 -37.500 31.788 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 27.980 -38.449 31.734 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 27.242 -37.168 32.061 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 30.418 -30.205 23.327 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 31.119 -30.183 23.978 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 30.720 -30.833 22.671 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 26.782 -24.395 31.804 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 26.687 -24.973 31.047 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 27.511 -24.766 32.300 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 25.782 -29.054 32.756 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 26.347 -28.933 31.993 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 26.101 -28.417 33.395 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 23.582 -28.457 36.702 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 23.652 -27.806 37.400 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 22.691 -28.354 36.367 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 30.367 -22.554 28.360 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 30.841 -22.259 29.138 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 29.804 -21.816 28.127 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 20.498 -26.390 35.527 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.997 -26.418 34.712 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 20.504 -27.296 35.837 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 20.249 -23.610 32.411 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 21.195 -23.754 32.392 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 20.136 -22.826 32.948 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 29.839 -19.598 26.775 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 29.764 -19.719 25.829 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 29.872 -18.648 26.894 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 32.941 -20.444 23.778 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 33.316 -21.188 23.307 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 32.945 -20.714 24.696 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 32.610 -20.518 26.527 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 31.675 -20.418 26.706 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 32.890 -21.227 27.105 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 22.747 -25.067 36.570 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 22.964 -25.428 37.430 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.892 -25.441 36.360 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 29.691 -34.382 23.225 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 29.437 -34.363 24.148 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 29.434 -35.254 22.924 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 25.454 -31.410 28.573 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 24.561 -31.751 28.514 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 25.905 -31.787 27.817 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 26.573 -33.937 22.326 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 26.142 -34.382 23.056 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 25.855 -33.565 21.814 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 28.036 -33.983 29.659 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 27.125 -33.926 29.948 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 28.541 -34.043 30.470 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 26.517 -32.354 26.142 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 27.449 -32.225 26.320 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 26.302 -31.684 25.493 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 29.356 -31.195 31.546 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 29.920 -31.742 30.999 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 29.208 -31.717 32.335 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 27.982 -32.807 33.960 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 27.147 -32.353 34.070 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 28.506 -32.531 34.712 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 28.526 -26.594 25.645 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 27.782 -27.101 25.322 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 28.392 -26.545 26.591 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 30.652 -25.135 24.670 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 30.357 -24.309 25.052 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 29.949 -25.755 24.866 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 20.659 -28.838 36.729 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 20.882 -29.256 37.561 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 20.057 -29.451 36.307 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 26.026 -23.781 28.819 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 26.553 -23.008 28.618 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 25.146 -23.556 28.517 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 27.453 -26.118 28.395 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 27.212 -25.193 28.437 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 26.713 -26.577 28.791 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 26.137 -21.096 27.940 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 25.187 -20.991 27.992 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 26.488 -20.276 28.285 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 21.944 -22.280 34.722 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 22.161 -23.212 34.691 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 22.191 -22.006 35.606 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 26.743 -24.259 24.388 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 26.890 -24.779 25.178 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 26.740 -23.352 24.694 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 29.481 -22.561 25.137 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 28.664 -22.064 25.190 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 30.010 -22.086 24.497 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 29.012 -32.964 27.109 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 29.824 -32.460 27.155 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 28.767 -33.109 28.023 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 29.548 -31.978 36.294 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 29.667 -31.404 37.051 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 30.203 -32.666 36.409 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 29.896 -35.883 28.047 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 29.549 -35.265 28.692 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 30.554 -35.382 27.566 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 26.819 -21.518 25.119 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 26.980 -20.718 24.618 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 26.622 -21.211 26.004 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 21.155 -20.393 39.075 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 21.695 -20.610 39.834 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 20.674 -21.199 38.885 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 29.844 -21.966 22.070 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 29.200 -22.597 22.392 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 30.606 -22.497 21.838 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 30.755 -25.192 21.897 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 30.487 -25.012 22.798 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 30.549 -26.118 21.766 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 21.894 -29.383 39.449 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 22.302 -30.240 39.328 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 21.634 -29.368 40.370 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 26.552 -28.267 24.467 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.093 -28.751 25.153 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 26.807 -28.935 23.831 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 25.841 -30.374 36.823 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 25.223 -29.699 37.104 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 26.185 -30.053 35.990 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 27.623 -30.024 22.730 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 27.443 -30.178 21.802 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 28.574 -29.916 22.774 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 26.181 -33.019 37.906 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 26.331 -33.748 37.303 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 26.183 -32.242 37.347 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 26.593 -34.649 35.398 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 27.129 -34.198 34.746 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 25.741 -34.757 34.976 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 28.175 -29.210 35.638 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 28.926 -29.366 35.065 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 27.836 -28.358 35.362 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 24.659 -31.821 39.817 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 23.892 -32.353 39.607 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 25.338 -32.131 39.218 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 27.399 -37.193 35.830 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 27.301 -36.246 35.724 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.656 -37.565 35.354 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 22.840 -33.900 39.522 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 23.051 -34.607 38.911 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 22.728 -34.338 40.366 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 27.521 -19.333 23.731 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 28.454 -19.175 23.875 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 27.257 -18.658 23.106 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 20.286 -32.877 38.688 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 21.205 -32.999 38.924 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 19.836 -33.627 39.077 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 22.280 -23.395 39.191 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.459 -23.220 38.731 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 22.028 -23.468 40.112 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 22.636 -19.164 35.497 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 21.916 -18.724 35.046 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 22.270 -19.415 36.346 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 25.103 -19.564 34.527 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 24.238 -19.492 34.931 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 25.048 -19.017 33.743 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 22.051 -20.541 32.408 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 22.032 -20.966 33.265 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 22.856 -20.859 31.999 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.192 -21.831 31.063 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 23.973 -22.747 31.232 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 25.016 -21.691 31.529 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 26.729 -21.361 31.911 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 26.942 -22.249 31.624 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 26.794 -21.395 32.866 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 27.144 -37.136 28.691 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 28.018 -36.748 28.661 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 27.008 -37.351 29.614 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 28.288 -35.056 25.581 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 28.466 -35.702 26.264 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 28.234 -34.222 26.048 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 30.166 -20.107 23.976 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 31.032 -19.741 23.798 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 29.919 -20.547 23.163 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 22.522 -36.549 38.395 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 22.156 -37.314 38.838 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 23.435 -36.520 38.682 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 24.495 -37.198 39.931 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 25.394 -37.472 39.746 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 24.109 -37.941 40.395 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 20.478 -30.927 46.632 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 20.030 -30.081 46.614 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 19.917 -31.507 46.117 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 19.815 -34.195 48.234 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.446 -34.224 48.954 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 20.265 -34.620 47.504 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 21.090 -33.449 43.658 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.564 -32.858 43.073 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 20.372 -32.918 44.005 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 22.864 -32.354 47.342 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 21.975 -32.254 47.002 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 23.160 -33.196 46.996 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 24.358 -35.059 46.820 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 24.041 -35.961 46.785 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 25.139 -35.057 46.268 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.781 -28.919 42.262 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 22.397 -28.292 42.641 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 20.919 -28.603 42.533 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 25.553 -34.820 43.591 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 25.470 -33.931 43.937 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 26.443 -35.085 43.822 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 22.128 -31.728 41.767 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 22.083 -30.789 41.946 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 21.240 -31.964 41.497 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 21.507 -34.565 50.435 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 21.952 -35.357 50.737 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 21.973 -33.849 50.866 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 19.811 -31.566 51.504 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 20.303 -31.787 50.714 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 20.173 -30.725 51.785 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 22.564 -37.063 47.734 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 21.787 -37.297 47.226 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 23.095 -37.860 47.742 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 23.262 -35.349 41.980 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 23.753 -35.979 41.452 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 23.885 -35.053 42.643 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 20.286 -14.021 0.976 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 21.205 -14.143 1.212 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 19.836 -14.771 1.365 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 22.944 -10.181 14.992 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 22.986 -10.807 15.716 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 23.647 -9.558 15.174 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 21.188 -9.909 11.046 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.402 -10.679 11.573 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 21.926 -9.820 10.443 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 32.106 -12.969 14.133 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 32.249 -13.916 14.153 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 32.000 -12.762 13.204 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 25.261 -14.868 11.405 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.304 -14.008 10.987 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 24.803 -15.420 10.772 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 21.881 -12.471 12.167 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 22.535 -13.021 12.599 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 21.905 -12.745 11.251 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 24.071 -15.950 15.479 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 23.852 -15.420 14.713 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 23.403 -15.723 16.127 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 26.640 -8.274 15.767 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 25.900 -7.676 15.870 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 27.354 -7.720 15.451 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 23.665 -14.058 13.432 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 24.278 -13.425 13.805 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.177 -14.530 12.775 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 25.048 -6.310 16.554 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 25.042 -5.431 16.176 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 24.194 -6.393 16.979 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 21.169 -6.639 7.336 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 20.897 -6.410 6.447 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 21.214 -5.801 7.796 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 28.097 -18.644 12.932 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 27.980 -19.593 12.878 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 27.242 -18.312 13.205 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.782 -10.198 13.900 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 26.347 -10.077 13.137 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 26.101 -9.561 14.539 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 26.662 -5.799 18.617 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 26.350 -5.017 19.073 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 26.012 -5.952 17.931 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 23.582 -9.601 17.846 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 23.652 -8.950 18.544 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.691 -9.498 17.511 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 24.405 -9.897 7.856 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 24.113 -9.129 7.365 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 23.731 -10.557 7.693 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 20.498 -7.534 16.671 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 19.997 -7.562 15.856 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 20.504 -8.440 16.981 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 22.747 -6.211 17.714 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 22.964 -6.572 18.574 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 21.892 -6.585 17.504 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 33.355 -14.263 17.938 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 32.841 -14.389 18.735 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 33.200 -13.351 17.693 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 25.457 -12.775 14.805 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 24.815 -12.816 15.514 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 25.494 -11.849 14.567 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 25.454 -12.554 9.717 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 24.561 -12.895 9.658 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 25.905 -12.931 8.961 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 30.092 -11.963 20.022 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 29.529 -12.667 20.342 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 30.918 -12.083 20.489 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 21.090 -14.593 5.946 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.564 -14.002 5.361 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.372 -14.062 6.293 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 28.036 -15.127 10.803 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 27.125 -15.070 11.092 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 28.541 -15.187 11.614 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 22.864 -13.498 9.630 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 21.975 -13.398 9.290 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 23.160 -14.340 9.284 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 32.441 -15.892 14.067 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 31.764 -15.761 14.731 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 31.955 -16.047 13.257 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 23.326 -7.746 19.952 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 24.059 -7.492 20.513 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 22.546 -7.542 20.467 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 29.356 -12.339 12.690 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 29.920 -12.886 12.143 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 29.208 -12.861 13.479 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 24.358 -16.203 9.108 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 24.041 -17.105 9.073 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 25.139 -16.201 8.556 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 27.982 -13.951 15.104 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 27.147 -13.497 15.214 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 28.506 -13.675 15.856 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 30.046 -7.554 18.026 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 29.700 -7.935 18.832 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 29.846 -6.620 18.097 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 20.659 -9.982 17.873 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 20.882 -10.400 18.705 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 20.057 -10.595 17.451 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 21.781 -10.063 4.550 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 22.397 -9.436 4.929 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 20.919 -9.747 4.821 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 23.196 -8.150 6.042 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 22.510 -7.798 6.609 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 23.719 -7.387 5.796 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 31.028 -15.488 16.321 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 31.726 -15.414 16.971 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 30.647 -16.352 16.476 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 29.548 -13.122 17.438 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 29.667 -12.548 18.195 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 30.203 -13.810 17.553 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 22.128 -12.872 4.055 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.083 -11.933 4.234 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 21.240 -13.108 3.785 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 22.936 -18.090 12.728 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 22.707 -18.031 11.801 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 22.493 -18.882 13.035 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 21.062 -7.727 21.173 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 21.206 -8.629 20.887 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 20.289 -7.441 20.685 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 27.717 -7.757 20.606 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 27.389 -7.486 19.748 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 27.869 -8.698 20.518 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 30.861 -9.047 21.245 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 31.814 -8.963 21.217 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 30.701 -9.758 21.864 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 28.175 -10.354 16.782 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.926 -10.510 16.209 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 27.836 -9.502 16.506 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 32.591 -12.539 21.810 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 32.783 -13.470 21.699 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 33.448 -12.114 21.800 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 31.379 -14.888 19.613 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.431 -14.856 19.745 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 31.691 -15.513 20.267 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 33.013 -16.254 21.618 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 32.916 -17.206 21.612 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 32.691 -15.985 22.479 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 20.688 -9.292 13.691 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 20.872 -9.374 12.756 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 21.537 -9.416 14.115 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 21.507 -15.709 12.723 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 21.952 -16.501 13.025 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 21.973 -14.993 13.154 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 19.811 -12.710 13.792 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 20.303 -12.931 13.002 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 20.173 -11.869 14.073 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 30.238 -16.841 12.200 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 29.563 -17.470 12.455 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 30.802 -17.325 11.597 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 22.564 -18.207 10.022 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 21.787 -18.441 9.514 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 23.095 -19.004 10.030 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 21.401 -18.409 5.825 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 21.840 -17.798 5.234 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 20.767 -17.871 6.299 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 27.144 -18.280 9.835 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 28.018 -17.892 9.805 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 27.008 -18.495 10.758 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 23.262 -16.493 4.268 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 23.753 -17.123 3.740 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 23.885 -16.197 4.931 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 32.917 -19.010 21.257 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 32.993 -19.436 22.111 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 33.810 -18.996 20.915 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 31.643 -9.051 28.836 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 31.732 -8.107 28.704 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 31.004 -9.326 28.178 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 30.576 -9.796 32.255 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 30.538 -10.442 32.960 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 30.253 -10.262 31.484 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 23.868 -5.731 32.383 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 23.498 -6.533 32.014 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 24.809 -5.900 32.430 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 28.965 -7.363 32.661 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 29.269 -8.049 32.067 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 29.687 -7.245 33.279 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 32.106 -12.969 32.989 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 32.249 -13.916 33.009 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 32.000 -12.762 32.060 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 32.983 -14.737 28.662 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 33.629 -15.066 29.287 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 33.493 -14.219 28.039 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 26.640 -8.274 34.623 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 25.900 -7.676 34.726 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 27.354 -7.720 34.307 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 34.747 -15.446 30.643 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 34.532 -16.212 31.175 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 35.403 -14.974 31.156 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 25.048 -6.310 35.410 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 25.042 -5.431 35.032 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 24.194 -6.393 35.835 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 21.169 -6.639 26.192 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 20.897 -6.410 25.303 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 21.214 -5.801 26.652 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 28.097 -18.644 31.788 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 27.980 -19.593 31.734 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 27.242 -18.312 32.061 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 30.364 -9.807 26.288 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 29.652 -9.272 25.937 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 31.055 -9.751 25.628 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 30.418 -11.349 23.327 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 31.119 -11.327 23.978 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 30.720 -11.977 22.671 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 33.770 -9.597 27.240 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 33.038 -9.369 27.813 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 34.217 -10.311 27.695 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 25.415 -8.967 29.123 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 25.085 -9.337 28.304 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 26.003 -9.637 29.469 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 26.782 -5.539 31.804 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 26.687 -6.117 31.047 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 27.511 -5.910 32.300 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 26.662 -5.799 37.473 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 26.350 -5.017 37.929 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 26.012 -5.952 36.787 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 32.641 -10.435 24.925 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 33.220 -10.285 25.672 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 33.055 -9.964 24.202 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 23.582 -9.601 36.702 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 23.652 -8.950 37.400 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 22.691 -9.498 36.367 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 20.498 -7.534 35.527 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 19.997 -7.562 34.712 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 20.504 -8.440 35.837 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 20.249 -4.754 32.411 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 21.195 -4.898 32.392 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 20.136 -3.970 32.948 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 22.747 -6.211 36.570 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 22.964 -6.572 37.430 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 21.892 -6.585 36.360 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 25.366 -17.741 32.566 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 24.505 -17.828 32.158 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 25.344 -16.885 32.993 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 31.994 -12.692 30.204 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 31.799 -12.087 29.489 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 32.176 -13.526 29.769 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 31.258 -11.054 34.875 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 31.582 -11.685 34.232 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 30.818 -11.589 35.536 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 32.441 -15.892 32.923 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 31.764 -15.761 33.587 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 31.955 -16.047 32.113 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 23.326 -7.746 38.808 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 24.059 -7.492 39.369 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 22.546 -7.542 39.323 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 29.356 -12.339 31.546 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 29.920 -12.886 30.999 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 29.208 -12.861 32.335 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 27.982 -13.951 33.960 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 27.147 -13.497 34.070 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 28.506 -13.675 34.712 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 28.526 -7.738 25.645 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 27.782 -8.245 25.322 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 28.392 -7.689 26.591 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 32.424 -14.924 23.844 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 31.486 -14.812 23.693 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 32.721 -14.067 24.150 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 30.046 -7.554 36.882 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 29.700 -7.935 37.688 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 29.846 -6.620 36.953 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 33.142 -13.057 25.505 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 34.034 -13.194 25.824 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 33.199 -12.266 24.968 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 20.659 -9.982 36.729 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 20.882 -10.400 37.561 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 20.057 -10.595 36.307 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 27.676 -10.465 38.942 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 27.380 -10.631 38.047 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 28.607 -10.685 38.932 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 26.026 -4.925 28.819 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 26.553 -4.152 28.618 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 25.146 -4.700 28.517 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 21.781 -10.063 23.406 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 22.397 -9.436 23.785 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 20.919 -9.747 23.677 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 27.453 -7.262 28.395 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 27.212 -6.337 28.437 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 26.713 -7.721 28.791 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 22.293 -15.229 36.287 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 21.400 -14.890 36.220 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 22.194 -16.084 36.705 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 23.196 -8.150 24.898 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 22.510 -7.798 25.465 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 23.719 -7.387 24.652 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 29.548 -13.122 36.294 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 29.667 -12.548 37.051 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 30.203 -13.810 36.409 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 34.354 -11.464 31.225 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 33.557 -11.879 30.896 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 34.799 -12.155 31.716 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 23.812 -5.536 23.795 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 24.404 -4.837 24.071 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 24.271 -5.969 23.076 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 21.866 -4.150 27.745 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 21.034 -3.677 27.772 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 22.412 -3.640 27.146 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 25.403 -7.383 22.161 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 25.467 -8.177 22.692 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 26.056 -7.502 21.472 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 21.894 -10.527 39.449 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 22.302 -11.384 39.328 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 21.634 -10.512 40.370 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 26.552 -9.411 24.467 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 26.093 -9.895 25.153 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 26.807 -10.079 23.831 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 25.841 -11.518 36.823 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 25.223 -10.843 37.104 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 26.185 -11.197 35.990 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 26.181 -14.163 37.906 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 26.331 -14.892 37.303 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 26.183 -13.386 37.347 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 26.593 -15.793 35.398 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 27.129 -15.342 34.746 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 25.741 -15.901 34.976 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 28.175 -10.354 35.638 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 28.926 -10.510 35.065 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 27.836 -9.502 35.362 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 24.659 -12.965 39.817 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 23.892 -13.497 39.607 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 25.338 -13.275 39.218 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 27.399 -18.337 35.830 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 27.301 -17.390 35.724 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 26.656 -18.709 35.354 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 22.840 -15.044 39.522 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 23.051 -15.751 38.911 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 22.728 -15.482 40.366 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 21.089 -5.841 23.214 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 22.003 -5.762 23.487 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 21.096 -6.528 22.547 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 20.688 -9.292 32.547 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 20.872 -9.374 31.612 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 21.537 -9.416 32.971 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 35.363 -13.787 26.999 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 35.643 -14.694 27.124 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 36.122 -13.353 26.610 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 20.286 -14.021 38.688 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 21.205 -14.143 38.924 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 19.836 -14.771 39.077 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 35.977 -16.524 27.048 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 36.159 -16.973 27.873 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 35.377 -17.109 26.584 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 30.238 -16.841 31.056 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 29.563 -17.470 31.311 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 30.802 -17.325 30.453 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 32.701 -18.250 30.340 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 32.777 -18.155 29.391 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 32.425 -19.158 30.469 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 34.054 -18.224 26.033 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 33.351 -17.610 25.823 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 33.609 -19.062 26.164 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 22.522 -17.693 38.395 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 22.156 -18.458 38.838 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 23.435 -17.664 38.682 0.00 0.00 WAT1 END