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 14:06:14 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 0.312 -18.629 12.767 1.00 42.10 ATOM 2 CB MET 1 2.017 -17.738 13.720 1.00 41.34 ATOM 3 HB1 MET 1 2.829 -17.084 13.435 1.00 38.33 ATOM 4 HB2 MET 1 2.434 -18.595 14.236 1.00 3.23 ATOM 5 CG MET 1 1.120 -16.990 14.692 1.00 55.41 ATOM 6 HG1 MET 1 0.191 -17.526 14.809 1.00 38.33 ATOM 7 HG2 MET 1 0.908 -16.017 14.275 1.00 1.40 ATOM 8 SD MET 1 1.874 -16.784 16.317 1.00 62.44 ATOM 9 CE MET 1 2.239 -15.031 16.301 1.00 2.13 ATOM 10 HE1 MET 1 2.909 -14.810 15.483 1.00 70.54 ATOM 11 HE2 MET 1 2.706 -14.752 17.234 1.00 52.03 ATOM 12 HE3 MET 1 1.322 -14.474 16.176 1.00 13.42 ATOM 13 C MET 1 1.082 -17.105 11.487 1.00 30.40 ATOM 14 O MET 1 -0.047 -16.770 11.132 1.00 33.13 ATOM 15 N MET 1 2.025 -19.343 11.865 1.00 61.00 ATOM 16 HT1 MET 1 1.513 -19.704 11.032 1.00 38.33 ATOM 17 HT2 MET 1 2.138 -20.127 12.543 1.00 38.33 ATOM 18 HT3 MET 1 2.972 -19.026 11.561 1.00 38.33 ATOM 19 CA MET 1 1.283 -18.248 12.478 1.00 51.50 ATOM 20 N GLY 2 2.186 -16.511 11.044 1.00 73.03 ATOM 21 HN GLY 2 3.070 -16.822 11.341 1.00 38.33 ATOM 22 CA GLY 2 2.108 -15.413 10.098 1.00 2.33 ATOM 23 HA1 GLY 2 3.081 -14.948 10.031 1.00 38.33 ATOM 24 HA2 GLY 2 1.401 -14.677 10.463 1.00 73.11 ATOM 25 C GLY 2 1.673 -15.865 8.719 1.00 54.13 ATOM 26 O GLY 2 0.517 -16.239 8.516 1.00 11.10 ATOM 27 N HIS 3 2.599 -15.830 7.766 1.00 0.31 ATOM 28 HN HIS 3 3.507 -15.508 7.982 1.00 38.33 ATOM 29 CA HIS 3 2.304 -16.238 6.397 1.00 20.33 ATOM 30 HA HIS 3 1.570 -17.036 6.425 1.00 1.42 ATOM 31 CB HIS 3 1.724 -15.065 5.606 1.00 31.43 ATOM 32 HB1 HIS 3 0.895 -14.645 6.158 1.00 38.33 ATOM 33 HB2 HIS 3 1.367 -15.425 4.652 1.00 41.53 ATOM 34 CG HIS 3 2.711 -13.968 5.352 1.00 11.11 ATOM 35 ND1 HIS 3 3.214 -13.162 6.351 1.00 24.24 ATOM 36 HD1 HIS 3 2.985 -13.219 7.302 1.00 10.52 ATOM 37 CD2 HIS 3 3.289 -13.546 4.203 1.00 12.43 ATOM 38 HD2 HIS 3 3.126 -13.955 3.216 1.00 14.12 ATOM 39 CE1 HIS 3 4.058 -12.291 5.828 1.00 0.41 ATOM 40 HE1 HIS 3 4.605 -11.536 6.373 1.00 53.04 ATOM 41 NE2 HIS 3 4.121 -12.502 4.526 1.00 65.41 ATOM 42 HE2 HIS 3 4.741 -12.057 3.911 1.00 38.33 ATOM 43 C HIS 3 3.558 -16.764 5.705 1.00 40.51 ATOM 44 O HIS 3 4.677 -16.385 6.054 1.00 72.15 ATOM 45 N HIS 4 3.364 -17.638 4.723 1.00 73.12 ATOM 46 HN HIS 4 2.449 -17.909 4.482 1.00 38.33 ATOM 47 CA HIS 4 4.479 -18.216 3.982 1.00 43.44 ATOM 48 HA HIS 4 4.071 -18.970 3.322 1.00 5.21 ATOM 49 CB HIS 4 5.183 -17.138 3.157 1.00 44.23 ATOM 50 HB1 HIS 4 5.941 -16.646 3.754 1.00 38.33 ATOM 51 HB2 HIS 4 4.456 -16.402 2.843 1.00 43.23 ATOM 52 CG HIS 4 5.841 -17.665 1.918 1.00 35.14 ATOM 53 ND1 HIS 4 6.131 -19.000 1.731 1.00 42.12 ATOM 54 HD1 HIS 4 5.951 -19.725 2.363 1.00 41.23 ATOM 55 CD2 HIS 4 6.262 -17.029 0.801 1.00 63.04 ATOM 56 HD2 HIS 4 6.191 -15.969 0.602 1.00 11.25 ATOM 57 CE1 HIS 4 6.705 -19.162 0.552 1.00 50.21 ATOM 58 HE1 HIS 4 7.022 -20.099 0.124 1.00 21.52 ATOM 59 NE2 HIS 4 6.796 -17.981 -0.033 1.00 32.00 ATOM 60 HE2 HIS 4 7.093 -17.829 -0.954 1.00 38.33 ATOM 61 C HIS 4 5.475 -18.880 4.928 1.00 13.10 ATOM 62 O HIS 4 6.664 -18.980 4.625 1.00 50.44 ATOM 63 N HIS 5 4.981 -19.332 6.076 1.00 32.23 ATOM 64 HN HIS 5 4.013 -19.292 6.247 1.00 38.33 ATOM 65 CA HIS 5 5.827 -19.987 7.067 1.00 2.15 ATOM 66 HA HIS 5 6.740 -19.404 7.159 1.00 3.23 ATOM 67 CB HIS 5 5.127 -20.019 8.426 1.00 13.31 ATOM 68 HB1 HIS 5 4.352 -20.775 8.423 1.00 38.33 ATOM 69 HB2 HIS 5 4.674 -19.055 8.609 1.00 73.30 ATOM 70 CG HIS 5 6.051 -20.305 9.570 1.00 55.22 ATOM 71 ND1 HIS 5 6.669 -19.315 10.304 1.00 55.51 ATOM 72 HD1 HIS 5 6.573 -18.351 10.159 1.00 60.53 ATOM 73 CD2 HIS 5 6.459 -21.479 10.106 1.00 51.34 ATOM 74 HD2 HIS 5 6.178 -22.463 9.774 1.00 71.22 ATOM 75 CE1 HIS 5 7.418 -19.867 11.241 1.00 45.04 ATOM 76 HE1 HIS 5 8.017 -19.336 11.966 1.00 10.34 ATOM 77 NE2 HIS 5 7.308 -21.180 11.142 1.00 4.42 ATOM 78 HE2 HIS 5 7.830 -21.831 11.656 1.00 38.33 ATOM 79 C HIS 5 6.179 -21.406 6.630 1.00 54.32 ATOM 80 O HIS 5 5.304 -22.182 6.245 1.00 72.14 ATOM 81 N HIS 6 7.464 -21.737 6.691 1.00 64.42 ATOM 82 HN HIS 6 8.122 -21.080 7.022 1.00 38.33 ATOM 83 CA HIS 6 7.931 -23.063 6.300 1.00 3.14 ATOM 84 HA HIS 6 7.189 -23.528 5.659 1.00 74.52 ATOM 85 CB HIS 6 9.244 -22.956 5.523 1.00 33.14 ATOM 86 HB1 HIS 6 9.673 -23.943 5.396 1.00 38.33 ATOM 87 HB2 HIS 6 9.933 -22.339 6.079 1.00 54.13 ATOM 88 CG HIS 6 9.086 -22.354 4.161 1.00 31.10 ATOM 89 ND1 HIS 6 10.145 -22.148 3.302 1.00 73.20 ATOM 90 HD1 HIS 6 11.083 -22.366 3.486 1.00 71.34 ATOM 91 CD2 HIS 6 7.984 -21.914 3.510 1.00 71.43 ATOM 92 HD2 HIS 6 6.971 -21.923 3.887 1.00 2.13 ATOM 93 CE1 HIS 6 9.701 -21.606 2.182 1.00 61.21 ATOM 94 HE1 HIS 6 10.305 -21.335 1.329 1.00 44.11 ATOM 95 NE2 HIS 6 8.393 -21.454 2.282 1.00 32.32 ATOM 96 HE2 HIS 6 7.805 -21.394 1.511 1.00 38.33 ATOM 97 C HIS 6 8.122 -23.954 7.524 1.00 10.11 ATOM 98 O HIS 6 8.065 -23.485 8.661 1.00 1.23 ATOM 99 N HIS 7 8.348 -25.242 7.283 1.00 14.43 ATOM 100 HN HIS 7 8.354 -25.567 6.354 1.00 38.33 ATOM 101 CA HIS 7 8.546 -26.198 8.366 1.00 24.51 ATOM 102 HA HIS 7 8.399 -25.686 9.306 1.00 50.12 ATOM 103 CB HIS 7 7.537 -27.342 8.257 1.00 51.53 ATOM 104 HB1 HIS 7 7.816 -28.001 7.444 1.00 38.33 ATOM 105 HB2 HIS 7 6.560 -26.928 8.052 1.00 50.32 ATOM 106 CG HIS 7 7.425 -28.164 9.504 1.00 43.53 ATOM 107 ND1 HIS 7 7.853 -27.721 10.738 1.00 41.04 ATOM 108 HD1 HIS 7 8.257 -26.854 10.936 1.00 45.03 ATOM 109 CD2 HIS 7 6.929 -29.407 9.703 1.00 11.10 ATOM 110 HD2 HIS 7 6.504 -30.056 8.950 1.00 42.35 ATOM 111 CE1 HIS 7 7.626 -28.657 11.642 1.00 64.24 ATOM 112 HE1 HIS 7 7.857 -28.588 12.695 1.00 50.12 ATOM 113 NE2 HIS 7 7.066 -29.691 11.040 1.00 54.44 ATOM 114 HE2 HIS 7 6.707 -30.482 11.493 1.00 38.33 ATOM 115 C HIS 7 9.967 -26.755 8.345 1.00 11.14 ATOM 116 O HIS 7 10.496 -27.172 9.376 1.00 4.21 ATOM 117 N HIS 8 10.579 -26.759 7.165 1.00 34.03 ATOM 118 HN HIS 8 10.111 -26.455 6.360 1.00 38.33 ATOM 119 CA HIS 8 11.938 -27.265 7.011 1.00 41.44 ATOM 120 HA HIS 8 12.410 -27.290 7.989 1.00 22.05 ATOM 121 CB HIS 8 11.916 -28.679 6.429 1.00 11.52 ATOM 122 HB1 HIS 8 11.926 -28.639 5.347 1.00 38.33 ATOM 123 HB2 HIS 8 11.012 -29.179 6.749 1.00 24.25 ATOM 124 CG HIS 8 13.069 -29.526 6.871 1.00 31.13 ATOM 125 ND1 HIS 8 14.107 -29.880 6.035 1.00 1.55 ATOM 126 HD1 HIS 8 14.197 -29.624 5.093 1.00 35.32 ATOM 127 CD2 HIS 8 13.345 -30.090 8.071 1.00 53.34 ATOM 128 HD2 HIS 8 12.743 -30.019 8.966 1.00 20.21 ATOM 129 CE1 HIS 8 14.971 -30.625 6.701 1.00 73.40 ATOM 130 HE1 HIS 8 15.882 -31.045 6.302 1.00 22.12 ATOM 131 NE2 HIS 8 14.532 -30.768 7.939 1.00 53.44 ATOM 132 HE2 HIS 8 14.931 -31.354 8.616 1.00 38.33 ATOM 133 C HIS 8 12.761 -26.345 6.113 1.00 74.44 ATOM 134 O HIS 8 12.230 -25.724 5.192 1.00 2.52 ATOM 135 N SER 9 14.059 -26.264 6.387 1.00 34.32 ATOM 136 HN SER 9 14.436 -26.784 7.133 1.00 38.33 ATOM 137 CA SER 9 14.954 -25.418 5.607 1.00 15.41 ATOM 138 HA SER 9 15.953 -25.543 5.998 1.00 44.34 ATOM 139 CB SER 9 14.937 -25.840 4.137 1.00 61.22 ATOM 140 HB1 SER 9 14.153 -25.330 3.594 1.00 38.33 ATOM 141 HB2 SER 9 14.763 -26.906 4.077 1.00 31.25 ATOM 142 OG SER 9 16.181 -25.569 3.514 1.00 31.13 ATOM 143 HG SER 9 16.197 -25.971 2.642 1.00 63.25 ATOM 144 C SER 9 14.557 -23.949 5.730 1.00 22.55 ATOM 145 O SER 9 14.274 -23.285 4.733 1.00 33.02 ATOM 146 N HIS 10 14.540 -23.449 6.962 1.00 73.31 ATOM 147 HN HIS 10 14.777 -24.028 7.724 1.00 38.33 ATOM 148 CA HIS 10 14.179 -22.059 7.217 1.00 33.34 ATOM 149 HA HIS 10 14.340 -21.479 6.317 1.00 33.03 ATOM 150 CB HIS 10 12.704 -21.957 7.608 1.00 50.22 ATOM 151 HB1 HIS 10 12.111 -22.457 6.855 1.00 38.33 ATOM 152 HB2 HIS 10 12.410 -20.921 7.651 1.00 4.15 ATOM 153 CG HIS 10 12.388 -22.590 8.928 1.00 64.32 ATOM 154 ND1 HIS 10 11.809 -21.903 9.973 1.00 13.21 ATOM 155 HD1 HIS 10 11.552 -20.957 9.963 1.00 51.53 ATOM 156 CD2 HIS 10 12.573 -23.857 9.369 1.00 44.52 ATOM 157 HD2 HIS 10 12.998 -24.676 8.808 1.00 40.02 ATOM 158 CE1 HIS 10 11.652 -22.718 11.001 1.00 64.24 ATOM 159 HE1 HIS 10 11.223 -22.455 11.956 1.00 74.04 ATOM 160 NE2 HIS 10 12.108 -23.910 10.660 1.00 61.23 ATOM 161 HE2 HIS 10 12.002 -24.726 11.191 1.00 38.33 ATOM 162 C HIS 10 15.051 -21.465 8.319 1.00 63.11 ATOM 163 O HIS 10 16.035 -22.072 8.740 1.00 63.53 ATOM 164 N MET 11 14.684 -20.274 8.780 1.00 32.25 ATOM 165 HN MET 11 13.919 -19.806 8.377 1.00 38.33 ATOM 166 CA MET 11 15.433 -19.599 9.833 1.00 4.43 ATOM 167 HA MET 11 16.404 -19.339 9.437 1.00 0.34 ATOM 168 CB MET 11 14.713 -18.318 10.260 1.00 21.24 ATOM 169 HB1 MET 11 14.585 -17.688 9.391 1.00 38.33 ATOM 170 HB2 MET 11 15.337 -17.799 10.977 1.00 15.24 ATOM 171 CG MET 11 13.344 -18.566 10.873 1.00 23.41 ATOM 172 HG1 MET 11 13.362 -19.458 11.482 1.00 38.33 ATOM 173 HG2 MET 11 12.637 -18.705 10.069 1.00 12.44 ATOM 174 SD MET 11 12.788 -17.199 11.908 1.00 41.53 ATOM 175 CE MET 11 11.046 -17.147 11.493 1.00 23.02 ATOM 176 HE1 MET 11 10.588 -18.092 11.743 1.00 5.42 ATOM 177 HE2 MET 11 10.933 -16.961 10.435 1.00 73.33 ATOM 178 HE3 MET 11 10.567 -16.356 12.050 1.00 50.12 ATOM 179 C MET 11 15.624 -20.514 11.038 1.00 23.51 ATOM 180 O MET 11 14.981 -21.557 11.145 1.00 75.33 ATOM 181 N ASN 12 16.513 -20.117 11.943 1.00 64.42 ATOM 182 HN ASN 12 16.999 -19.269 11.801 1.00 38.33 ATOM 183 CA ASN 12 16.789 -20.904 13.140 1.00 43.33 ATOM 184 HA ASN 12 17.197 -21.856 12.819 1.00 62.52 ATOM 185 CB ASN 12 17.818 -20.189 14.019 1.00 73.13 ATOM 186 HB1 ASN 12 17.756 -20.553 15.038 1.00 38.33 ATOM 187 HB2 ASN 12 17.592 -19.143 14.003 1.00 22.44 ATOM 188 CG ASN 12 19.238 -20.394 13.530 1.00 44.05 ATOM 189 OD1 ASN 12 19.775 -21.500 13.593 1.00 22.02 ATOM 190 ND2 ASN 12 19.855 -19.325 13.038 1.00 74.30 ATOM 191 HD21 ASN 12 19.379 -18.464 13.010 1.00 61.34 ATOM 192 HD22 ASN 12 20.774 -19.439 12.717 1.00 55.40 ATOM 193 C ASN 12 15.511 -21.153 13.934 1.00 55.34 ATOM 194 O ASN 12 14.838 -20.213 14.357 1.00 35.00 ATOM 195 N SER 13 15.182 -22.425 14.132 1.00 20.40 ATOM 196 HN SER 13 15.771 -23.137 13.786 1.00 38.33 ATOM 197 CA SER 13 13.983 -22.799 14.872 1.00 15.34 ATOM 198 HA SER 13 13.219 -22.067 14.677 1.00 2.32 ATOM 199 CB SER 13 13.479 -24.168 14.413 1.00 65.44 ATOM 200 HB1 SER 13 13.101 -24.732 15.258 1.00 38.33 ATOM 201 HB2 SER 13 14.284 -24.723 13.953 1.00 73.40 ATOM 202 OG SER 13 12.430 -24.036 13.470 1.00 70.14 ATOM 203 HG SER 13 11.957 -24.869 13.396 1.00 3.42 ATOM 204 C SER 13 14.256 -22.822 16.373 1.00 32.22 ATOM 205 O SER 13 13.352 -22.618 17.183 1.00 72.50 ATOM 206 N ALA 14 15.510 -23.073 16.736 1.00 15.51 ATOM 207 HN ALA 14 16.196 -23.237 16.049 1.00 38.33 ATOM 208 CA ALA 14 15.904 -23.121 18.139 1.00 74.04 ATOM 209 HA ALA 14 15.237 -23.781 18.660 1.00 61.01 ATOM 210 CB ALA 14 17.316 -23.671 18.271 1.00 3.51 ATOM 211 HB1 ALA 14 17.962 -23.147 17.581 1.00 23.33 ATOM 212 HB2 ALA 14 17.326 -24.716 18.031 1.00 0.12 ATOM 213 HB3 ALA 14 17.687 -23.527 19.271 1.00 14.55 ATOM 214 C ALA 14 15.807 -21.743 18.784 1.00 44.32 ATOM 215 O ALA 14 15.466 -21.621 19.960 1.00 42.02 ATOM 216 N GLU 15 16.111 -20.708 18.007 1.00 40.14 ATOM 217 HN GLU 15 16.393 -20.863 17.075 1.00 38.33 ATOM 218 CA GLU 15 16.060 -19.338 18.505 1.00 73.44 ATOM 219 HA GLU 15 16.702 -19.270 19.374 1.00 64.51 ATOM 220 CB GLU 15 16.564 -18.365 17.437 1.00 3.24 ATOM 221 HB1 GLU 15 16.385 -17.348 17.765 1.00 38.33 ATOM 222 HB2 GLU 15 16.008 -18.542 16.527 1.00 32.02 ATOM 223 CG GLU 15 18.047 -18.506 17.137 1.00 1.43 ATOM 224 HG1 GLU 15 18.282 -19.550 16.978 1.00 38.33 ATOM 225 HG2 GLU 15 18.603 -18.135 17.983 1.00 30.13 ATOM 226 CD GLU 15 18.471 -17.722 15.910 1.00 71.30 ATOM 227 OE1 GLU 15 17.588 -17.148 15.239 1.00 35.04 ATOM 228 OE2 GLU 15 19.685 -17.684 15.620 1.00 12.30 ATOM 229 C GLU 15 14.640 -18.963 18.920 1.00 22.44 ATOM 230 O GLU 15 14.391 -18.623 20.076 1.00 3.44 ATOM 231 N GLN 16 13.714 -19.029 17.969 1.00 45.21 ATOM 232 HN GLN 16 13.981 -19.299 17.058 1.00 38.33 ATOM 233 CA GLN 16 12.320 -18.695 18.236 1.00 64.01 ATOM 234 HA GLN 16 12.272 -17.648 18.501 1.00 1.11 ATOM 235 CB GLN 16 11.470 -18.927 16.986 1.00 40.24 ATOM 236 HB1 GLN 16 11.803 -18.248 16.215 1.00 38.33 ATOM 237 HB2 GLN 16 10.435 -18.703 17.220 1.00 70.24 ATOM 238 CG GLN 16 11.563 -20.343 16.440 1.00 5.42 ATOM 239 HG1 GLN 16 11.629 -21.042 17.254 1.00 38.33 ATOM 240 HG2 GLN 16 12.453 -20.418 15.837 1.00 50.11 ATOM 241 CD GLN 16 10.357 -20.728 15.606 1.00 5.52 ATOM 242 OE1 GLN 16 9.219 -20.654 16.069 1.00 11.23 ATOM 243 NE2 GLN 16 10.601 -21.141 14.368 1.00 21.11 ATOM 244 HE21 GLN 16 11.524 -21.176 14.044 1.00 32.42 ATOM 245 HE22 GLN 16 9.833 -21.400 13.817 1.00 4.14 ATOM 246 C GLN 16 11.775 -19.521 19.396 1.00 24.22 ATOM 247 O GLN 16 10.852 -19.099 20.094 1.00 61.54 ATOM 248 N THR 17 12.353 -20.702 19.598 1.00 15.22 ATOM 249 HN THR 17 13.052 -21.022 18.986 1.00 38.33 ATOM 250 CA THR 17 11.924 -21.588 20.673 1.00 70.12 ATOM 251 HA THR 17 10.840 -21.633 20.668 1.00 63.51 ATOM 252 CB THR 17 12.461 -23.018 20.470 1.00 54.43 ATOM 253 HB THR 17 13.538 -22.986 20.444 1.00 24.22 ATOM 254 OG1 THR 17 11.982 -23.549 19.229 1.00 42.20 ATOM 255 HG1 THR 17 12.581 -24.232 18.917 1.00 14.01 ATOM 256 CG2 THR 17 12.032 -23.924 21.614 1.00 65.01 ATOM 257 HG21 THR 17 12.659 -23.749 22.476 1.00 1.34 ATOM 258 HG22 THR 17 12.140 -24.936 21.293 1.00 33.03 ATOM 259 HG23 THR 17 10.997 -23.741 21.872 1.00 41.12 ATOM 260 C THR 17 12.388 -21.071 22.030 1.00 60.32 ATOM 261 O THR 17 11.604 -20.989 22.975 1.00 20.34 ATOM 262 N VAL 18 13.668 -20.723 22.119 1.00 12.12 ATOM 263 HN VAL 18 14.241 -20.801 21.321 1.00 38.33 ATOM 264 CA VAL 18 14.236 -20.212 23.361 1.00 40.12 ATOM 265 HA VAL 18 14.236 -21.017 24.085 1.00 32.12 ATOM 266 CB VAL 18 15.687 -19.736 23.160 1.00 41.01 ATOM 267 HB VAL 18 15.691 -18.947 22.420 1.00 1.24 ATOM 268 CG1 VAL 18 16.249 -19.173 24.456 1.00 30.14 ATOM 269 HG11 VAL 18 17.309 -18.982 24.341 1.00 2.11 ATOM 270 HG12 VAL 18 16.102 -19.881 25.260 1.00 21.53 ATOM 271 HG13 VAL 18 15.754 -18.245 24.700 1.00 64.15 ATOM 272 CG2 VAL 18 16.554 -20.874 22.643 1.00 30.33 ATOM 273 HG21 VAL 18 17.155 -20.513 21.823 1.00 62.11 ATOM 274 HG22 VAL 18 15.948 -21.681 22.303 1.00 60.32 ATOM 275 HG23 VAL 18 17.210 -21.238 23.423 1.00 60.31 ATOM 276 C VAL 18 13.406 -19.058 23.911 1.00 12.31 ATOM 277 O VAL 18 13.039 -19.046 25.087 1.00 64.32 ATOM 278 N THR 19 13.111 -18.086 23.053 1.00 71.12 ATOM 279 HN THR 19 13.428 -18.151 22.121 1.00 38.33 ATOM 280 CA THR 19 12.324 -16.926 23.452 1.00 22.24 ATOM 281 HA THR 19 12.739 -16.531 24.369 1.00 31.22 ATOM 282 CB THR 19 12.380 -15.815 22.387 1.00 62.31 ATOM 283 HB THR 19 11.994 -16.206 21.455 1.00 41.23 ATOM 284 OG1 THR 19 13.735 -15.395 22.188 1.00 74.10 ATOM 285 HG1 THR 19 14.183 -16.015 21.606 1.00 52.34 ATOM 286 CG2 THR 19 11.530 -14.624 22.802 1.00 40.01 ATOM 287 HG21 THR 19 11.722 -14.372 23.837 1.00 40.55 ATOM 288 HG22 THR 19 10.483 -14.857 22.674 1.00 63.53 ATOM 289 HG23 THR 19 11.781 -13.778 22.180 1.00 5.53 ATOM 290 C THR 19 10.869 -17.307 23.697 1.00 15.12 ATOM 291 O THR 19 10.176 -16.670 24.491 1.00 53.03 ATOM 292 N TRP 20 10.411 -18.349 23.012 1.00 44.52 ATOM 293 HN TRP 20 10.995 -18.802 22.367 1.00 38.33 ATOM 294 CA TRP 20 9.037 -18.814 23.156 1.00 33.31 ATOM 295 HA TRP 20 8.376 -17.975 22.984 1.00 53.43 ATOM 296 CB TRP 20 8.732 -19.896 22.119 1.00 32.51 ATOM 297 HB1 TRP 20 9.453 -20.689 22.201 1.00 38.33 ATOM 298 HB2 TRP 20 8.789 -19.462 21.136 1.00 34.20 ATOM 299 CG TRP 20 7.363 -20.489 22.264 1.00 54.12 ATOM 300 CD1 TRP 20 6.189 -19.810 22.429 1.00 22.02 ATOM 301 HD1 TRP 20 6.110 -18.734 22.476 1.00 45.32 ATOM 302 CD2 TRP 20 7.026 -21.880 22.258 1.00 61.50 ATOM 303 NE1 TRP 20 5.143 -20.696 22.527 1.00 43.14 ATOM 304 HE1 TRP 20 4.201 -20.453 22.649 1.00 4.43 ATOM 305 CE2 TRP 20 5.630 -21.972 22.424 1.00 62.14 ATOM 306 CE3 TRP 20 7.767 -23.058 22.127 1.00 43.32 ATOM 307 HE3 TRP 20 8.839 -23.032 21.998 1.00 24.31 ATOM 308 CZ2 TRP 20 4.964 -23.194 22.463 1.00 62.24 ATOM 309 HZ2 TRP 20 3.899 -23.252 22.585 1.00 2.22 ATOM 310 CZ3 TRP 20 7.105 -24.270 22.166 1.00 51.20 ATOM 311 HZ3 TRP 20 7.659 -25.189 22.068 1.00 63.42 ATOM 312 CH2 TRP 20 5.715 -24.331 22.332 1.00 51.22 ATOM 313 HH2 TRP 20 5.249 -25.287 22.354 1.00 75.22 ATOM 314 C TRP 20 8.790 -19.354 24.560 1.00 35.43 ATOM 315 O TRP 20 7.705 -19.185 25.119 1.00 31.33 ATOM 316 N LEU 21 9.801 -20.004 25.126 1.00 34.20 ATOM 317 HN LEU 21 10.647 -20.117 24.632 1.00 38.33 ATOM 318 CA LEU 21 9.693 -20.569 26.467 1.00 74.23 ATOM 319 HA LEU 21 8.726 -21.042 26.564 1.00 40.45 ATOM 320 CB LEU 21 10.786 -21.616 26.690 1.00 55.11 ATOM 321 HB1 LEU 21 10.718 -21.958 27.714 1.00 38.33 ATOM 322 HB2 LEU 21 11.746 -21.135 26.553 1.00 74.33 ATOM 323 CG LEU 21 10.731 -22.846 25.784 1.00 64.52 ATOM 324 HG LEU 21 10.823 -22.531 24.755 1.00 61.55 ATOM 325 CD1 LEU 21 11.886 -23.787 26.092 1.00 71.32 ATOM 326 HD11 LEU 21 12.824 -23.268 25.949 1.00 61.11 ATOM 327 HD12 LEU 21 11.847 -24.639 25.427 1.00 45.12 ATOM 328 HD13 LEU 21 11.817 -24.127 27.116 1.00 52.14 ATOM 329 CD2 LEU 21 9.399 -23.565 25.940 1.00 62.35 ATOM 330 HD21 LEU 21 9.238 -23.822 26.978 1.00 14.44 ATOM 331 HD22 LEU 21 9.416 -24.466 25.348 1.00 40.51 ATOM 332 HD23 LEU 21 8.598 -22.931 25.595 1.00 2.03 ATOM 333 C LEU 21 9.794 -19.478 27.527 1.00 12.33 ATOM 334 O LEU 21 9.212 -19.592 28.607 1.00 51.34 ATOM 335 N ILE 22 10.534 -18.420 27.212 1.00 71.21 ATOM 336 HN ILE 22 10.986 -18.379 26.338 1.00 38.33 ATOM 337 CA ILE 22 10.708 -17.307 28.137 1.00 71.04 ATOM 338 HA ILE 22 10.856 -17.705 29.129 1.00 52.01 ATOM 339 CB ILE 22 11.937 -16.455 27.768 1.00 71.44 ATOM 340 HB ILE 22 11.775 -16.037 26.782 1.00 15.30 ATOM 341 CG1 ILE 22 13.198 -17.322 27.747 1.00 74.21 ATOM 342 HG11 ILE 22 12.999 -18.256 27.254 1.00 38.33 ATOM 343 HG12 ILE 22 13.512 -17.528 28.760 1.00 51.12 ATOM 344 CG2 ILE 22 12.096 -15.303 28.748 1.00 42.35 ATOM 345 HG21 ILE 22 12.128 -15.684 29.760 1.00 72.50 ATOM 346 HG22 ILE 22 11.270 -14.615 28.649 1.00 61.12 ATOM 347 HG23 ILE 22 13.014 -14.771 28.542 1.00 2.34 ATOM 348 CD1 ILE 22 14.365 -16.674 27.037 1.00 41.24 ATOM 349 HD11 ILE 22 14.091 -16.456 26.018 1.00 43.15 ATOM 350 HD12 ILE 22 15.207 -17.348 27.044 1.00 11.20 ATOM 351 HD13 ILE 22 14.632 -15.763 27.537 1.00 43.32 ATOM 352 C ILE 22 9.473 -16.413 28.160 1.00 75.33 ATOM 353 O ILE 22 8.975 -16.050 29.226 1.00 53.41 ATOM 354 N THR 23 8.980 -16.063 26.976 1.00 71.04 ATOM 355 HN THR 23 9.424 -16.380 26.154 1.00 38.33 ATOM 356 CA THR 23 7.802 -15.213 26.859 1.00 1.40 ATOM 357 HA THR 23 7.999 -14.286 27.383 1.00 62.51 ATOM 358 CB THR 23 7.497 -14.874 25.388 1.00 42.33 ATOM 359 HB THR 23 8.397 -14.488 24.929 1.00 43.35 ATOM 360 OG1 THR 23 6.471 -13.878 25.317 1.00 51.31 ATOM 361 HG1 THR 23 6.854 -13.010 25.467 1.00 10.43 ATOM 362 CG2 THR 23 7.059 -16.115 24.626 1.00 62.51 ATOM 363 HG21 THR 23 7.039 -15.892 23.569 1.00 61.23 ATOM 364 HG22 THR 23 6.072 -16.417 24.941 1.00 33.23 ATOM 365 HG23 THR 23 7.754 -16.906 24.805 1.00 15.12 ATOM 366 C THR 23 6.579 -15.879 27.479 1.00 3.11 ATOM 367 O THR 23 5.665 -15.203 27.954 1.00 70.35 ATOM 368 N LEU 24 6.568 -17.207 27.473 1.00 24.21 ATOM 369 HN LEU 24 7.315 -17.702 27.065 1.00 38.33 ATOM 370 CA LEU 24 5.457 -17.966 28.036 1.00 11.23 ATOM 371 HA LEU 24 4.531 -17.496 27.727 1.00 41.22 ATOM 372 CB LEU 24 5.482 -19.405 27.519 1.00 21.20 ATOM 373 HB1 LEU 24 5.007 -20.052 28.251 1.00 38.33 ATOM 374 HB2 LEU 24 6.520 -19.708 27.441 1.00 65.01 ATOM 375 CG LEU 24 4.805 -19.645 26.169 1.00 31.33 ATOM 376 HG LEU 24 5.091 -18.861 25.481 1.00 45.41 ATOM 377 CD1 LEU 24 5.255 -20.971 25.575 1.00 50.45 ATOM 378 HD11 LEU 24 4.484 -21.379 24.932 1.00 23.11 ATOM 379 HD12 LEU 24 5.458 -21.666 26.370 1.00 72.31 ATOM 380 HD13 LEU 24 6.149 -20.827 24.999 1.00 72.01 ATOM 381 CD2 LEU 24 3.291 -19.612 26.319 1.00 71.42 ATOM 382 HD21 LEU 24 2.827 -19.769 25.355 1.00 55.33 ATOM 383 HD22 LEU 24 2.984 -18.652 26.708 1.00 73.53 ATOM 384 HD23 LEU 24 2.979 -20.388 26.996 1.00 31.24 ATOM 385 C LEU 24 5.511 -17.960 29.561 1.00 72.23 ATOM 386 O LEU 24 4.488 -18.107 30.229 1.00 42.43 ATOM 387 N GLY 25 6.712 -17.788 30.105 1.00 52.02 ATOM 388 HN GLY 25 7.508 -17.702 29.542 1.00 38.33 ATOM 389 CA GLY 25 6.877 -17.764 31.546 1.00 35.15 ATOM 390 HA1 GLY 25 6.011 -17.308 32.011 1.00 38.33 ATOM 391 HA2 GLY 25 7.746 -17.166 31.780 1.00 63.22 ATOM 392 C GLY 25 7.076 -19.149 32.130 1.00 12.22 ATOM 393 O GLY 25 6.614 -19.437 33.234 1.00 22.34 ATOM 394 N VAL 26 7.764 -20.009 31.387 1.00 60.42 ATOM 395 HN VAL 26 8.118 -19.721 30.521 1.00 38.33 ATOM 396 CA VAL 26 8.023 -21.372 31.837 1.00 51.23 ATOM 397 HA VAL 26 7.547 -21.534 32.800 1.00 71.03 ATOM 398 CB VAL 26 7.459 -22.407 30.845 1.00 1.03 ATOM 399 HB VAL 26 7.842 -23.386 31.100 1.00 2.45 ATOM 400 CG1 VAL 26 5.943 -22.470 30.944 1.00 75.12 ATOM 401 HG11 VAL 26 5.521 -21.507 30.690 1.00 2.33 ATOM 402 HG12 VAL 26 5.657 -22.732 31.953 1.00 15.34 ATOM 403 HG13 VAL 26 5.566 -23.219 30.262 1.00 25.54 ATOM 404 CG2 VAL 26 7.896 -22.078 29.426 1.00 42.31 ATOM 405 HG21 VAL 26 7.600 -22.883 28.770 1.00 25.31 ATOM 406 HG22 VAL 26 8.969 -21.964 29.380 1.00 23.13 ATOM 407 HG23 VAL 26 7.421 -21.165 29.098 1.00 22.31 ATOM 408 C VAL 26 9.517 -21.617 32.016 1.00 50.04 ATOM 409 O VAL 26 9.927 -22.474 32.800 1.00 43.23 ATOM 410 N LEU 27 10.327 -20.859 31.284 1.00 32.33 ATOM 411 HN LEU 27 9.964 -20.217 30.642 1.00 38.33 ATOM 412 CA LEU 27 11.777 -20.993 31.362 1.00 23.21 ATOM 413 HA LEU 27 12.032 -21.539 32.264 1.00 22.43 ATOM 414 CB LEU 27 12.301 -21.784 30.162 1.00 23.44 ATOM 415 HB1 LEU 27 11.833 -21.374 29.282 1.00 38.33 ATOM 416 HB2 LEU 27 12.000 -22.801 30.260 1.00 40.00 ATOM 417 CG LEU 27 13.814 -21.751 29.945 1.00 5.22 ATOM 418 HG LEU 27 14.162 -20.732 29.942 1.00 2.12 ATOM 419 CD1 LEU 27 14.531 -22.486 31.067 1.00 62.52 ATOM 420 HD11 LEU 27 14.222 -23.522 31.081 1.00 14.11 ATOM 421 HD12 LEU 27 14.287 -22.026 32.015 1.00 74.02 ATOM 422 HD13 LEU 27 15.600 -22.433 30.911 1.00 25.41 ATOM 423 CD2 LEU 27 14.173 -22.354 28.595 1.00 40.11 ATOM 424 HD21 LEU 27 13.857 -23.388 28.561 1.00 12.12 ATOM 425 HD22 LEU 27 15.243 -22.301 28.447 1.00 41.21 ATOM 426 HD23 LEU 27 13.678 -21.802 27.808 1.00 53.01 ATOM 427 C LEU 27 12.448 -19.624 31.415 1.00 25.54 ATOM 428 O LEU 27 12.360 -18.842 30.470 1.00 74.44 ATOM 429 N GLU 28 13.121 -19.344 32.527 1.00 2.31 ATOM 430 HN GLU 28 13.153 -20.010 33.255 1.00 38.33 ATOM 431 CA GLU 28 13.809 -18.070 32.702 1.00 54.30 ATOM 432 HA GLU 28 13.058 -17.295 32.761 1.00 10.03 ATOM 433 CB GLU 28 14.617 -18.075 34.001 1.00 20.21 ATOM 434 HB1 GLU 28 13.986 -18.435 34.802 1.00 38.33 ATOM 435 HB2 GLU 28 14.921 -17.061 34.222 1.00 40.34 ATOM 436 CG GLU 28 15.860 -18.947 33.941 1.00 71.12 ATOM 437 HG1 GLU 28 16.503 -18.604 33.146 1.00 38.33 ATOM 438 HG2 GLU 28 15.562 -19.965 33.746 1.00 4.21 ATOM 439 CD GLU 28 16.657 -18.917 35.230 1.00 1.43 ATOM 440 OE1 GLU 28 17.305 -19.935 35.551 1.00 71.12 ATOM 441 OE2 GLU 28 16.633 -17.875 35.919 1.00 62.12 ATOM 442 C GLU 28 14.728 -17.781 31.519 1.00 42.30 ATOM 443 O GLU 28 15.180 -18.697 30.832 1.00 4.33 ATOM 444 N SER 29 15.000 -16.500 31.287 1.00 33.31 ATOM 445 HN SER 29 14.620 -15.810 31.883 1.00 38.33 ATOM 446 CA SER 29 15.861 -16.089 30.185 1.00 64.10 ATOM 447 HA SER 29 15.597 -16.683 29.329 1.00 11.41 ATOM 448 CB SER 29 15.635 -14.612 29.857 1.00 63.14 ATOM 449 HB1 SER 29 14.700 -14.278 30.287 1.00 38.33 ATOM 450 HB2 SER 29 15.598 -14.476 28.792 1.00 11.43 ATOM 451 OG SER 29 16.680 -13.808 30.376 1.00 24.41 ATOM 452 HG SER 29 16.600 -12.916 30.029 1.00 52.04 ATOM 453 C SER 29 17.330 -16.327 30.525 1.00 35.22 ATOM 454 O SER 29 17.710 -16.458 31.689 1.00 44.53 ATOM 455 N PRO 30 18.175 -16.386 29.486 1.00 50.45 ATOM 456 CA PRO 30 19.615 -16.608 29.648 1.00 51.43 ATOM 457 HA PRO 30 19.815 -17.495 30.234 1.00 63.42 ATOM 458 CB PRO 30 20.105 -16.821 28.213 1.00 14.32 ATOM 459 HB1 PRO 30 20.098 -17.874 28.008 1.00 38.33 ATOM 460 HB2 PRO 30 21.106 -16.429 28.078 1.00 44.40 ATOM 461 CG PRO 30 19.110 -16.107 27.364 1.00 64.35 ATOM 462 HG1 PRO 30 19.060 -16.569 26.389 1.00 38.33 ATOM 463 HG2 PRO 30 19.384 -15.066 27.273 1.00 72.43 ATOM 464 CD PRO 30 17.790 -16.239 28.072 1.00 44.33 ATOM 465 HD1 PRO 30 17.262 -17.113 27.722 1.00 38.33 ATOM 466 HD2 PRO 30 17.209 -15.355 27.906 1.00 62.13 ATOM 467 C PRO 30 20.319 -15.411 30.279 1.00 75.04 ATOM 468 O PRO 30 19.792 -14.298 30.282 1.00 73.24 ATOM 469 N LYS 31 21.512 -15.646 30.812 1.00 23.44 ATOM 470 HN LYS 31 21.883 -16.560 30.770 1.00 38.33 ATOM 471 CA LYS 31 22.290 -14.588 31.445 1.00 2.02 ATOM 472 HA LYS 31 21.669 -14.131 32.204 1.00 15.10 ATOM 473 CB LYS 31 23.554 -15.168 32.084 1.00 44.14 ATOM 474 HB1 LYS 31 24.418 -14.928 31.477 1.00 38.33 ATOM 475 HB2 LYS 31 23.471 -16.247 32.137 1.00 52.14 ATOM 476 CG LYS 31 23.818 -14.653 33.488 1.00 13.10 ATOM 477 HG1 LYS 31 23.801 -13.571 33.467 1.00 38.33 ATOM 478 HG2 LYS 31 24.798 -14.976 33.795 1.00 31.32 ATOM 479 CD LYS 31 22.760 -15.135 34.466 1.00 30.34 ATOM 480 HD1 LYS 31 21.822 -15.321 33.962 1.00 38.33 ATOM 481 HD2 LYS 31 22.612 -14.369 35.212 1.00 21.11 ATOM 482 CE LYS 31 23.194 -16.411 35.172 1.00 73.11 ATOM 483 HE1 LYS 31 23.379 -17.178 34.433 1.00 38.33 ATOM 484 HE2 LYS 31 22.398 -16.731 35.827 1.00 2.11 ATOM 485 NZ LYS 31 24.428 -16.206 35.979 1.00 63.41 ATOM 486 HZ1 LYS 31 25.263 -16.174 35.363 1.00 22.11 ATOM 487 HZ2 LYS 31 24.544 -16.993 36.649 1.00 43.21 ATOM 488 HZ3 LYS 31 24.374 -15.317 36.522 1.00 62.41 ATOM 489 C LYS 31 22.667 -13.511 30.433 1.00 4.33 ATOM 490 O LYS 31 22.747 -12.329 30.769 1.00 13.14 ATOM 491 N LYS 32 22.898 -13.926 29.192 1.00 13.33 ATOM 492 HN LYS 32 22.856 -14.888 28.980 1.00 38.33 ATOM 493 CA LYS 32 23.264 -12.997 28.130 1.00 53.32 ATOM 494 HA LYS 32 22.761 -12.053 28.304 1.00 64.22 ATOM 495 CB LYS 32 24.775 -12.757 28.132 1.00 63.32 ATOM 496 HB1 LYS 32 25.073 -12.510 29.143 1.00 38.33 ATOM 497 HB2 LYS 32 25.001 -11.918 27.492 1.00 42.11 ATOM 498 CG LYS 32 25.581 -13.955 27.658 1.00 3.54 ATOM 499 HG1 LYS 32 25.801 -13.820 26.607 1.00 38.33 ATOM 500 HG2 LYS 32 25.003 -14.862 27.791 1.00 43.43 ATOM 501 CD LYS 32 26.877 -14.098 28.438 1.00 4.24 ATOM 502 HD1 LYS 32 26.712 -14.782 29.258 1.00 38.33 ATOM 503 HD2 LYS 32 27.183 -13.135 28.828 1.00 53.33 ATOM 504 CE LYS 32 27.998 -14.637 27.563 1.00 60.42 ATOM 505 HE1 LYS 32 28.467 -13.809 27.053 1.00 38.33 ATOM 506 HE2 LYS 32 27.592 -15.326 26.832 1.00 2.21 ATOM 507 NZ LYS 32 29.029 -15.355 28.362 1.00 64.32 ATOM 508 HZ1 LYS 32 29.456 -14.714 29.063 1.00 41.05 ATOM 509 HZ2 LYS 32 29.780 -15.710 27.736 1.00 61.21 ATOM 510 HZ3 LYS 32 28.602 -16.164 28.861 1.00 40.10 ATOM 511 C LYS 32 22.824 -13.526 26.769 1.00 60.24 ATOM 512 O LYS 32 22.084 -14.507 26.681 1.00 0.23 ATOM 513 N THR 33 23.285 -12.872 25.707 1.00 62.21 ATOM 514 HN THR 33 23.843 -12.072 25.827 1.00 38.33 ATOM 515 CA THR 33 22.940 -13.277 24.350 1.00 32.33 ATOM 516 HA THR 33 21.856 -13.296 24.278 1.00 4.13 ATOM 517 CB THR 33 23.477 -12.276 23.311 1.00 42.42 ATOM 518 HB THR 33 24.550 -12.401 23.218 1.00 72.14 ATOM 519 OG1 THR 33 23.209 -10.935 23.738 1.00 73.43 ATOM 520 HG1 THR 33 23.839 -10.334 23.332 1.00 42.10 ATOM 521 CG2 THR 33 22.843 -12.516 21.949 1.00 31.12 ATOM 522 HG21 THR 33 21.768 -12.440 22.029 1.00 25.24 ATOM 523 HG22 THR 33 23.109 -13.499 21.591 1.00 2.31 ATOM 524 HG23 THR 33 23.202 -11.773 21.252 1.00 13.02 ATOM 525 C THR 33 23.489 -14.664 24.034 1.00 54.10 ATOM 526 O THR 33 24.611 -14.999 24.414 1.00 50.20 ATOM 527 N ILE 34 22.691 -15.466 23.336 1.00 2.43 ATOM 528 HN ILE 34 21.802 -15.150 23.054 1.00 38.33 ATOM 529 CA ILE 34 23.099 -16.816 22.968 1.00 41.43 ATOM 530 HA ILE 34 24.065 -17.029 23.419 1.00 24.11 ATOM 531 CB ILE 34 22.102 -17.867 23.490 1.00 62.23 ATOM 532 HB ILE 34 21.133 -17.666 23.054 1.00 20.45 ATOM 533 CG1 ILE 34 21.988 -17.782 25.013 1.00 1.51 ATOM 534 HG11 ILE 34 21.678 -16.785 25.294 1.00 38.33 ATOM 535 HG12 ILE 34 22.950 -17.992 25.458 1.00 3.54 ATOM 536 CG2 ILE 34 22.532 -19.263 23.063 1.00 45.41 ATOM 537 HG21 ILE 34 23.490 -19.500 23.505 1.00 73.01 ATOM 538 HG22 ILE 34 22.613 -19.319 21.989 1.00 20.34 ATOM 539 HG23 ILE 34 21.806 -19.990 23.380 1.00 65.55 ATOM 540 CD1 ILE 34 20.987 -18.752 25.600 1.00 61.25 ATOM 541 HD11 ILE 34 19.987 -18.377 25.439 1.00 62.03 ATOM 542 HD12 ILE 34 21.170 -18.844 26.655 1.00 42.51 ATOM 543 HD13 ILE 34 21.080 -19.723 25.155 1.00 41.01 ATOM 544 C ILE 34 23.225 -16.958 21.455 1.00 41.04 ATOM 545 O ILE 34 22.279 -16.689 20.715 1.00 72.54 ATOM 546 N SER 35 24.400 -17.384 21.002 1.00 51.14 ATOM 547 HN SER 35 25.120 -17.599 21.642 1.00 38.33 ATOM 548 CA SER 35 24.651 -17.561 19.576 1.00 0.41 ATOM 549 HA SER 35 23.997 -16.901 19.018 1.00 14.23 ATOM 550 CB SER 35 26.099 -17.195 19.243 1.00 73.14 ATOM 551 HB1 SER 35 26.422 -17.721 18.351 1.00 38.33 ATOM 552 HB2 SER 35 26.742 -17.469 20.067 1.00 35.01 ATOM 553 OG SER 35 26.233 -15.804 19.009 1.00 55.22 ATOM 554 HG SER 35 25.944 -15.596 18.116 1.00 64.41 ATOM 555 C SER 35 24.366 -18.997 19.148 1.00 13.02 ATOM 556 O SER 35 24.062 -19.261 17.985 1.00 65.14 ATOM 557 N ASP 36 24.465 -19.921 20.097 1.00 23.03 ATOM 558 HN ASP 36 24.731 -19.672 21.009 1.00 38.33 ATOM 559 CA ASP 36 24.217 -21.331 19.821 1.00 63.24 ATOM 560 HA ASP 36 23.916 -21.452 18.788 1.00 60.20 ATOM 561 CB ASP 36 25.490 -22.149 20.045 1.00 3.42 ATOM 562 HB1 ASP 36 25.237 -23.196 20.168 1.00 38.33 ATOM 563 HB2 ASP 36 25.987 -21.800 20.938 1.00 65.14 ATOM 564 CG ASP 36 26.461 -22.039 18.886 1.00 50.22 ATOM 565 OD1 ASP 36 26.114 -21.382 17.882 1.00 32.31 ATOM 566 OD2 ASP 36 27.568 -22.610 18.982 1.00 75.12 ATOM 567 C ASP 36 23.092 -21.868 20.700 1.00 53.35 ATOM 568 O ASP 36 23.317 -22.612 21.654 1.00 4.10 ATOM 569 N PRO 37 21.850 -21.481 20.372 1.00 34.24 ATOM 570 CA PRO 37 20.664 -21.911 21.120 1.00 62.20 ATOM 571 HA PRO 37 20.764 -21.702 22.175 1.00 22.22 ATOM 572 CB PRO 37 19.542 -21.052 20.531 1.00 65.55 ATOM 573 HB1 PRO 37 19.421 -20.163 21.132 1.00 38.33 ATOM 574 HB2 PRO 37 18.607 -21.600 20.507 1.00 73.14 ATOM 575 CG PRO 37 20.010 -20.708 19.159 1.00 70.35 ATOM 576 HG1 PRO 37 19.589 -19.771 18.863 1.00 38.33 ATOM 577 HG2 PRO 37 19.730 -21.486 18.465 1.00 22.21 ATOM 578 CD PRO 37 21.507 -20.595 19.247 1.00 32.33 ATOM 579 HD1 PRO 37 21.785 -19.576 19.459 1.00 38.33 ATOM 580 HD2 PRO 37 21.957 -20.932 18.327 1.00 1.32 ATOM 581 C PRO 37 20.361 -23.392 20.923 1.00 35.53 ATOM 582 O PRO 37 19.568 -23.976 21.662 1.00 3.23 ATOM 583 N GLU 38 20.996 -23.995 19.923 1.00 41.51 ATOM 584 HN GLU 38 21.582 -23.481 19.329 1.00 38.33 ATOM 585 CA GLU 38 20.792 -25.408 19.630 1.00 24.41 ATOM 586 HA GLU 38 19.748 -25.549 19.410 1.00 12.02 ATOM 587 CB GLU 38 21.625 -25.826 18.416 1.00 3.14 ATOM 588 HB1 GLU 38 21.636 -26.909 18.366 1.00 38.33 ATOM 589 HB2 GLU 38 22.637 -25.471 18.550 1.00 2.25 ATOM 590 CG GLU 38 21.099 -25.280 17.100 1.00 52.21 ATOM 591 HG1 GLU 38 21.494 -24.285 16.956 1.00 38.33 ATOM 592 HG2 GLU 38 20.018 -25.235 17.134 1.00 31.13 ATOM 593 CD GLU 38 21.498 -26.134 15.912 1.00 20.14 ATOM 594 OE1 GLU 38 21.192 -25.739 14.768 1.00 15.41 ATOM 595 OE2 GLU 38 22.116 -27.198 16.127 1.00 2.40 ATOM 596 C GLU 38 21.159 -26.272 20.834 1.00 43.42 ATOM 597 O GLU 38 20.450 -27.218 21.172 1.00 12.13 ATOM 598 N GLY 39 22.275 -25.938 21.476 1.00 15.34 ATOM 599 HN GLY 39 22.820 -25.181 21.164 1.00 38.33 ATOM 600 CA GLY 39 22.718 -26.692 22.634 1.00 15.35 ATOM 601 HA1 GLY 39 23.787 -26.572 22.732 1.00 38.33 ATOM 602 HA2 GLY 39 22.501 -27.745 22.494 1.00 51.33 ATOM 603 C GLY 39 22.061 -26.222 23.918 1.00 60.53 ATOM 604 O GLY 39 21.658 -27.035 24.750 1.00 12.23 ATOM 605 N PHE 40 21.955 -24.908 24.080 1.00 55.25 ATOM 606 HN PHE 40 22.308 -24.303 23.384 1.00 38.33 ATOM 607 CA PHE 40 21.345 -24.331 25.272 1.00 32.21 ATOM 608 HA PHE 40 21.958 -24.595 26.122 1.00 43.32 ATOM 609 CB PHE 40 21.290 -22.806 25.156 1.00 20.55 ATOM 610 HB1 PHE 40 20.849 -22.545 24.203 1.00 38.33 ATOM 611 HB2 PHE 40 22.300 -22.417 25.191 1.00 74.24 ATOM 612 CG PHE 40 20.495 -22.151 26.249 1.00 55.33 ATOM 613 CD1 PHE 40 21.041 -21.972 27.510 1.00 54.44 ATOM 614 HD1 PHE 40 22.050 -22.308 27.709 1.00 63.43 ATOM 615 CD2 PHE 40 19.201 -21.713 26.015 1.00 40.24 ATOM 616 HD2 PHE 40 18.761 -21.846 25.036 1.00 61.55 ATOM 617 CE1 PHE 40 20.310 -21.369 28.517 1.00 64.15 ATOM 618 HE1 PHE 40 20.746 -21.236 29.496 1.00 44.22 ATOM 619 CE2 PHE 40 18.466 -21.109 27.018 1.00 61.23 ATOM 620 HE2 PHE 40 17.459 -20.771 26.822 1.00 21.12 ATOM 621 CZ PHE 40 19.022 -20.936 28.270 1.00 61.30 ATOM 622 HZ PHE 40 18.450 -20.465 29.056 1.00 15.42 ATOM 623 C PHE 40 19.940 -24.887 25.488 1.00 41.04 ATOM 624 O PHE 40 19.483 -25.028 26.623 1.00 63.42 ATOM 625 N LEU 41 19.260 -25.200 24.391 1.00 54.15 ATOM 626 HN LEU 41 19.660 -25.043 23.505 1.00 38.33 ATOM 627 CA LEU 41 17.906 -25.740 24.458 1.00 41.13 ATOM 628 HA LEU 41 17.357 -25.178 25.197 1.00 3.50 ATOM 629 CB LEU 41 17.217 -25.614 23.098 1.00 44.33 ATOM 630 HB1 LEU 41 16.470 -26.397 23.003 1.00 38.33 ATOM 631 HB2 LEU 41 17.968 -25.775 22.336 1.00 53.13 ATOM 632 CG LEU 41 16.534 -24.276 22.813 1.00 13.12 ATOM 633 HG LEU 41 17.251 -23.483 22.953 1.00 51.33 ATOM 634 CD1 LEU 41 16.044 -24.222 21.375 1.00 73.25 ATOM 635 HD11 LEU 41 15.595 -23.279 21.178 1.00 45.15 ATOM 636 HD12 LEU 41 15.314 -25.004 21.211 1.00 72.52 ATOM 637 HD13 LEU 41 16.874 -24.376 20.724 1.00 20.22 ATOM 638 CD2 LEU 41 15.381 -24.050 23.780 1.00 35.01 ATOM 639 HD21 LEU 41 15.756 -23.986 24.789 1.00 71.02 ATOM 640 HD22 LEU 41 14.679 -24.869 23.709 1.00 45.41 ATOM 641 HD23 LEU 41 14.874 -23.127 23.534 1.00 41.12 ATOM 642 C LEU 41 17.924 -27.200 24.898 1.00 73.20 ATOM 643 O LEU 41 17.192 -27.593 25.806 1.00 11.22 ATOM 644 N GLN 42 18.766 -27.998 24.249 1.00 34.43 ATOM 645 HN GLN 42 19.322 -27.626 23.523 1.00 38.33 ATOM 646 CA GLN 42 18.879 -29.415 24.576 1.00 42.04 ATOM 647 HA GLN 42 17.949 -29.894 24.306 1.00 3.53 ATOM 648 CB GLN 42 20.016 -30.054 23.776 1.00 20.45 ATOM 649 HB1 GLN 42 20.946 -29.558 24.022 1.00 38.33 ATOM 650 HB2 GLN 42 19.814 -29.908 22.724 1.00 64.21 ATOM 651 CG GLN 42 20.167 -31.547 24.021 1.00 74.33 ATOM 652 HG1 GLN 42 20.611 -31.989 23.140 1.00 38.33 ATOM 653 HG2 GLN 42 19.190 -31.988 24.177 1.00 13.54 ATOM 654 CD GLN 42 21.058 -31.858 25.207 1.00 51.40 ATOM 655 OE1 GLN 42 22.233 -31.490 25.228 1.00 12.45 ATOM 656 NE2 GLN 42 20.503 -32.538 26.203 1.00 72.10 ATOM 657 HE21 GLN 42 19.559 -32.807 26.136 1.00 34.43 ATOM 658 HE22 GLN 42 21.065 -32.748 26.978 1.00 70.14 ATOM 659 C GLN 42 19.118 -29.612 26.069 1.00 71.21 ATOM 660 O GLN 42 18.555 -30.518 26.683 1.00 63.31 ATOM 661 N ALA 43 19.956 -28.758 26.647 1.00 30.10 ATOM 662 HN ALA 43 20.387 -28.056 26.104 1.00 38.33 ATOM 663 CA ALA 43 20.268 -28.838 28.069 1.00 53.43 ATOM 664 HA ALA 43 20.600 -29.845 28.289 1.00 42.35 ATOM 665 CB ALA 43 21.404 -27.887 28.414 1.00 42.32 ATOM 666 HB1 ALA 43 21.665 -27.995 29.458 1.00 54.23 ATOM 667 HB2 ALA 43 21.097 -26.868 28.223 1.00 64.22 ATOM 668 HB3 ALA 43 22.264 -28.122 27.804 1.00 31.40 ATOM 669 C ALA 43 19.040 -28.528 28.918 1.00 12.12 ATOM 670 O ALA 43 18.733 -29.248 29.868 1.00 75.10 ATOM 671 N SER 44 18.342 -27.452 28.570 1.00 15.45 ATOM 672 HN SER 44 18.638 -26.912 27.799 1.00 38.33 ATOM 673 CA SER 44 17.149 -27.044 29.304 1.00 22.04 ATOM 674 HA SER 44 17.414 -26.938 30.348 1.00 63.32 ATOM 675 CB SER 44 16.641 -25.697 28.786 1.00 23.13 ATOM 676 HB1 SER 44 15.567 -25.627 28.914 1.00 38.33 ATOM 677 HB2 SER 44 16.878 -25.594 27.737 1.00 42.23 ATOM 678 OG SER 44 17.237 -24.622 29.491 1.00 3.03 ATOM 679 HG SER 44 16.886 -23.791 29.164 1.00 12.53 ATOM 680 C SER 44 16.051 -28.096 29.183 1.00 55.43 ATOM 681 O SER 44 15.336 -28.378 30.145 1.00 21.45 ATOM 682 N LEU 45 15.921 -28.672 27.993 1.00 42.32 ATOM 683 HN LEU 45 16.518 -28.408 27.256 1.00 38.33 ATOM 684 CA LEU 45 14.910 -29.693 27.743 1.00 13.10 ATOM 685 HA LEU 45 13.985 -29.383 28.214 1.00 42.22 ATOM 686 CB LEU 45 14.665 -29.839 26.240 1.00 35.12 ATOM 687 HB1 LEU 45 13.877 -30.553 26.082 1.00 38.33 ATOM 688 HB2 LEU 45 15.576 -30.230 25.819 1.00 53.41 ATOM 689 CG LEU 45 14.319 -28.553 25.488 1.00 24.22 ATOM 690 HG LEU 45 14.883 -27.729 25.891 1.00 23.43 ATOM 691 CD1 LEU 45 14.679 -28.683 24.016 1.00 1.33 ATOM 692 HD11 LEU 45 14.037 -29.410 23.552 1.00 74.14 ATOM 693 HD12 LEU 45 15.710 -28.993 23.914 1.00 61.30 ATOM 694 HD13 LEU 45 14.546 -27.728 23.529 1.00 74.12 ATOM 695 CD2 LEU 45 12.844 -28.220 25.651 1.00 14.21 ATOM 696 HD21 LEU 45 12.584 -28.208 26.699 1.00 20.34 ATOM 697 HD22 LEU 45 12.258 -28.954 25.138 1.00 52.21 ATOM 698 HD23 LEU 45 12.649 -27.246 25.227 1.00 3.51 ATOM 699 C LEU 45 15.333 -31.034 28.334 1.00 75.13 ATOM 700 O LEU 45 14.509 -31.930 28.521 1.00 11.22 ATOM 701 N LYS 46 16.622 -31.165 28.627 1.00 33.32 ATOM 702 HN LYS 46 17.246 -30.443 28.418 1.00 38.33 ATOM 703 CA LYS 46 17.155 -32.395 29.200 1.00 21.43 ATOM 704 HA LYS 46 17.077 -33.168 28.447 1.00 32.11 ATOM 705 CB LYS 46 18.625 -32.208 29.583 1.00 31.45 ATOM 706 HB1 LYS 46 18.681 -31.642 30.506 1.00 38.33 ATOM 707 HB2 LYS 46 19.118 -31.645 28.802 1.00 24.15 ATOM 708 CG LYS 46 19.379 -33.515 29.758 1.00 70.31 ATOM 709 HG1 LYS 46 19.704 -33.862 28.788 1.00 38.33 ATOM 710 HG2 LYS 46 18.719 -34.239 30.193 1.00 41.42 ATOM 711 CD LYS 46 20.595 -33.342 30.652 1.00 65.12 ATOM 712 HD1 LYS 46 20.971 -32.328 30.580 1.00 38.33 ATOM 713 HD2 LYS 46 21.362 -34.028 30.324 1.00 14.42 ATOM 714 CE LYS 46 20.267 -33.646 32.105 1.00 13.35 ATOM 715 HE1 LYS 46 20.061 -34.701 32.201 1.00 38.33 ATOM 716 HE2 LYS 46 19.393 -33.080 32.399 1.00 21.32 ATOM 717 NZ LYS 46 21.391 -33.290 33.014 1.00 24.14 ATOM 718 HZ1 LYS 46 21.134 -33.509 33.998 1.00 40.13 ATOM 719 HZ2 LYS 46 21.605 -32.273 32.945 1.00 2.34 ATOM 720 HZ3 LYS 46 22.245 -33.831 32.763 1.00 72.14 ATOM 721 C LYS 46 16.350 -32.819 30.424 1.00 33.24 ATOM 722 O LYS 46 15.908 -33.964 30.523 1.00 63.34 ATOM 723 N ASP 47 16.161 -31.889 31.354 1.00 61.02 ATOM 724 HN ASP 47 16.510 -30.982 31.191 1.00 38.33 ATOM 725 CA ASP 47 15.406 -32.166 32.570 1.00 2.25 ATOM 726 HA ASP 47 15.864 -33.011 33.067 1.00 55.23 ATOM 727 CB ASP 47 15.453 -30.960 33.510 1.00 31.25 ATOM 728 HB1 ASP 47 15.196 -31.282 34.508 1.00 38.33 ATOM 729 HB2 ASP 47 14.740 -30.213 33.183 1.00 25.40 ATOM 730 CG ASP 47 16.823 -30.314 33.555 1.00 5.23 ATOM 731 OD1 ASP 47 17.810 -31.033 33.818 1.00 12.12 ATOM 732 OD2 ASP 47 16.910 -29.089 33.328 1.00 13.44 ATOM 733 C ASP 47 13.958 -32.516 32.244 1.00 52.25 ATOM 734 O ASP 47 13.411 -33.487 32.763 1.00 32.53 ATOM 735 N GLY 48 13.341 -31.716 31.379 1.00 45.33 ATOM 736 HN GLY 48 13.815 -30.945 30.993 1.00 38.33 ATOM 737 CA GLY 48 11.962 -31.957 30.998 1.00 11.24 ATOM 738 HA1 GLY 48 11.752 -33.013 31.000 1.00 38.33 ATOM 739 HA2 GLY 48 11.830 -31.588 30.000 1.00 74.23 ATOM 740 C GLY 48 10.978 -31.235 31.897 1.00 0.44 ATOM 741 O GLY 48 9.804 -31.090 31.556 1.00 42.24 ATOM 742 N VAL 49 11.456 -30.781 33.052 1.00 63.12 ATOM 743 HN VAL 49 12.397 -30.882 33.259 1.00 38.33 ATOM 744 CA VAL 49 10.610 -30.071 34.003 1.00 4.44 ATOM 745 HA VAL 49 9.888 -30.774 34.396 1.00 32.44 ATOM 746 CB VAL 49 11.435 -29.510 35.177 1.00 11.52 ATOM 747 HB VAL 49 12.155 -28.803 34.786 1.00 40.41 ATOM 748 CG1 VAL 49 10.535 -28.777 36.160 1.00 35.24 ATOM 749 HG11 VAL 49 9.660 -29.375 36.379 1.00 55.31 ATOM 750 HG12 VAL 49 10.226 -27.834 35.735 1.00 72.22 ATOM 751 HG13 VAL 49 11.073 -28.584 37.080 1.00 54.33 ATOM 752 CG2 VAL 49 12.200 -30.626 35.872 1.00 41.22 ATOM 753 HG21 VAL 49 12.929 -31.046 35.198 1.00 75.12 ATOM 754 HG22 VAL 49 11.514 -31.391 36.176 1.00 13.05 ATOM 755 HG23 VAL 49 12.709 -30.234 36.743 1.00 5.13 ATOM 756 C VAL 49 9.864 -28.926 33.327 1.00 4.35 ATOM 757 O VAL 49 8.663 -28.750 33.527 1.00 15.35 ATOM 758 N VAL 50 10.585 -28.149 32.525 1.00 4.22 ATOM 759 HN VAL 50 11.541 -28.348 32.390 1.00 38.33 ATOM 760 CA VAL 50 9.992 -27.021 31.818 1.00 52.35 ATOM 761 HA VAL 50 9.369 -26.473 32.511 1.00 71.23 ATOM 762 CB VAL 50 11.072 -26.062 31.283 1.00 64.12 ATOM 763 HB VAL 50 11.664 -26.586 30.544 1.00 10.45 ATOM 764 CG1 VAL 50 10.432 -24.856 30.612 1.00 22.32 ATOM 765 HG11 VAL 50 10.691 -24.856 29.563 1.00 14.34 ATOM 766 HG12 VAL 50 10.791 -23.948 31.062 1.00 21.24 ATOM 767 HG13 VAL 50 9.358 -24.876 30.708 1.00 23.11 ATOM 768 CG2 VAL 50 12.001 -25.627 32.406 1.00 22.13 ATOM 769 HG21 VAL 50 11.429 -25.140 33.184 1.00 53.40 ATOM 770 HG22 VAL 50 12.738 -24.936 32.019 1.00 13.33 ATOM 771 HG23 VAL 50 12.508 -26.486 32.818 1.00 22.04 ATOM 772 C VAL 50 9.128 -27.495 30.654 1.00 11.23 ATOM 773 O VAL 50 8.088 -26.905 30.358 1.00 11.11 ATOM 774 N LEU 51 9.564 -28.564 29.998 1.00 45.02 ATOM 775 HN LEU 51 10.416 -28.985 30.263 1.00 38.33 ATOM 776 CA LEU 51 8.831 -29.119 28.866 1.00 73.22 ATOM 777 HA LEU 51 8.865 -28.395 28.063 1.00 31.32 ATOM 778 CB LEU 51 9.479 -30.425 28.404 1.00 62.25 ATOM 779 HB1 LEU 51 8.709 -31.088 28.022 1.00 38.33 ATOM 780 HB2 LEU 51 9.920 -30.900 29.262 1.00 1.01 ATOM 781 CG LEU 51 10.556 -30.295 27.326 1.00 70.13 ATOM 782 HG LEU 51 11.264 -29.542 27.628 1.00 71.54 ATOM 783 CD1 LEU 51 11.309 -31.606 27.163 1.00 62.13 ATOM 784 HD11 LEU 51 10.610 -32.408 26.968 1.00 50.44 ATOM 785 HD12 LEU 51 11.860 -31.822 28.058 1.00 62.22 ATOM 786 HD13 LEU 51 11.997 -31.530 26.335 1.00 11.35 ATOM 787 CD2 LEU 51 9.938 -29.865 26.003 1.00 32.14 ATOM 788 HD21 LEU 51 10.620 -30.079 25.197 1.00 13.21 ATOM 789 HD22 LEU 51 9.738 -28.805 26.029 1.00 61.14 ATOM 790 HD23 LEU 51 9.012 -30.401 25.833 1.00 4.41 ATOM 791 C LEU 51 7.370 -29.365 29.231 1.00 3.22 ATOM 792 O LEU 51 6.465 -29.042 28.462 1.00 53.54 ATOM 793 N CYS 52 7.149 -29.936 30.410 1.00 51.01 ATOM 794 HN CYS 52 7.916 -30.179 30.982 1.00 38.33 ATOM 795 CA CYS 52 5.798 -30.224 30.878 1.00 11.44 ATOM 796 HA CYS 52 5.294 -30.805 30.115 1.00 62.04 ATOM 797 CB CYS 52 5.847 -31.024 32.181 1.00 51.41 ATOM 798 HB1 CYS 52 4.982 -30.791 32.791 1.00 38.33 ATOM 799 HB2 CYS 52 6.739 -30.763 32.731 1.00 43.31 ATOM 800 SG CYS 52 5.858 -32.816 31.946 1.00 21.42 ATOM 801 HG CYS 52 5.171 -33.363 32.938 1.00 12.34 ATOM 802 C CYS 52 5.009 -28.935 31.088 1.00 23.12 ATOM 803 O CYS 52 3.882 -28.801 30.612 1.00 40.02 ATOM 804 N ARG 53 5.609 -27.991 31.805 1.00 1.53 ATOM 805 HN ARG 53 6.512 -28.160 32.167 1.00 38.33 ATOM 806 CA ARG 53 4.962 -26.714 32.081 1.00 54.42 ATOM 807 HA ARG 53 4.094 -26.905 32.698 1.00 61.13 ATOM 808 CB ARG 53 5.916 -25.785 32.834 1.00 65.51 ATOM 809 HB1 ARG 53 5.475 -24.798 32.901 1.00 38.33 ATOM 810 HB2 ARG 53 6.838 -25.718 32.272 1.00 31.02 ATOM 811 CG ARG 53 6.233 -26.252 34.245 1.00 31.34 ATOM 812 HG1 ARG 53 6.411 -27.320 34.239 1.00 38.33 ATOM 813 HG2 ARG 53 5.392 -26.031 34.884 1.00 61.20 ATOM 814 CD ARG 53 7.466 -25.556 34.799 1.00 64.31 ATOM 815 HD1 ARG 53 7.252 -24.497 34.851 1.00 38.33 ATOM 816 HD2 ARG 53 8.297 -25.724 34.134 1.00 64.41 ATOM 817 NE ARG 53 7.820 -26.045 36.129 1.00 61.21 ATOM 818 HE ARG 53 7.458 -26.918 36.411 1.00 24.45 ATOM 819 CZ ARG 53 8.605 -25.382 36.971 1.00 71.11 ATOM 820 NH1 ARG 53 9.115 -24.209 36.623 1.00 55.41 ATOM 821 HH11 ARG 53 8.930 -23.800 35.733 1.00 64.22 ATOM 822 HH12 ARG 53 9.703 -23.716 37.268 1.00 2.23 ATOM 823 NH2 ARG 53 8.881 -25.893 38.164 1.00 11.52 ATOM 824 HH21 ARG 53 8.499 -26.779 38.433 1.00 3.22 ATOM 825 HH22 ARG 53 9.473 -25.395 38.801 1.00 15.10 ATOM 826 C ARG 53 4.502 -26.047 30.788 1.00 74.14 ATOM 827 O ARG 53 3.429 -25.445 30.735 1.00 54.44 ATOM 828 N LEU 54 5.320 -26.159 29.747 1.00 1.42 ATOM 829 HN LEU 54 6.175 -26.639 29.849 1.00 38.33 ATOM 830 CA LEU 54 4.998 -25.567 28.453 1.00 10.55 ATOM 831 HA LEU 54 4.908 -24.499 28.588 1.00 62.30 ATOM 832 CB LEU 54 6.118 -25.846 27.449 1.00 34.44 ATOM 833 HB1 LEU 54 6.424 -26.872 27.572 1.00 38.33 ATOM 834 HB2 LEU 54 6.959 -25.213 27.700 1.00 0.51 ATOM 835 CG LEU 54 5.769 -25.627 25.977 1.00 50.21 ATOM 836 HG LEU 54 4.893 -26.196 25.723 1.00 31.23 ATOM 837 CD1 LEU 54 5.469 -24.160 25.713 1.00 53.45 ATOM 838 HD11 LEU 54 6.383 -23.611 25.526 1.00 24.54 ATOM 839 HD12 LEU 54 4.959 -23.721 26.558 1.00 53.25 ATOM 840 HD13 LEU 54 4.828 -24.089 24.862 1.00 24.04 ATOM 841 CD2 LEU 54 6.901 -26.111 25.083 1.00 43.11 ATOM 842 HD21 LEU 54 6.581 -26.102 24.065 1.00 4.45 ATOM 843 HD22 LEU 54 7.172 -27.123 25.353 1.00 70.51 ATOM 844 HD23 LEU 54 7.752 -25.479 25.196 1.00 75.03 ATOM 845 C LEU 54 3.675 -26.108 27.921 1.00 10.21 ATOM 846 O LEU 54 2.804 -25.345 27.500 1.00 20.05 ATOM 847 N LEU 55 3.530 -27.428 27.944 1.00 31.01 ATOM 848 HN LEU 55 4.266 -27.989 28.289 1.00 38.33 ATOM 849 CA LEU 55 2.312 -28.072 27.466 1.00 75.31 ATOM 850 HA LEU 55 2.181 -27.812 26.425 1.00 13.15 ATOM 851 CB LEU 55 2.435 -29.592 27.583 1.00 20.45 ATOM 852 HB1 LEU 55 2.782 -29.821 28.582 1.00 38.33 ATOM 853 HB2 LEU 55 3.180 -29.913 26.883 1.00 13.12 ATOM 854 CG LEU 55 1.159 -30.392 27.318 1.00 61.03 ATOM 855 HG LEU 55 0.359 -30.023 27.940 1.00 64.54 ATOM 856 CD1 LEU 55 0.731 -30.247 25.866 1.00 62.35 ATOM 857 HD11 LEU 55 -0.273 -29.880 25.845 1.00 75.05 ATOM 858 HD12 LEU 55 0.762 -31.202 25.360 1.00 45.03 ATOM 859 HD13 LEU 55 1.369 -29.548 25.343 1.00 0.31 ATOM 860 CD2 LEU 55 1.365 -31.858 27.671 1.00 12.34 ATOM 861 HD21 LEU 55 0.405 -32.312 27.854 1.00 23.13 ATOM 862 HD22 LEU 55 1.966 -31.939 28.550 1.00 51.22 ATOM 863 HD23 LEU 55 1.858 -32.376 26.859 1.00 14.33 ATOM 864 C LEU 55 1.096 -27.587 28.249 1.00 73.30 ATOM 865 O LEU 55 -0.026 -27.605 27.744 1.00 13.32 ATOM 866 N GLU 56 1.328 -27.153 29.484 1.00 61.22 ATOM 867 HN GLU 56 2.232 -27.200 29.857 1.00 38.33 ATOM 868 CA GLU 56 0.251 -26.662 30.335 1.00 22.04 ATOM 869 HA GLU 56 -0.619 -27.294 30.186 1.00 25.32 ATOM 870 CB GLU 56 0.668 -26.718 31.807 1.00 63.45 ATOM 871 HB1 GLU 56 0.252 -25.874 32.344 1.00 38.33 ATOM 872 HB2 GLU 56 1.743 -26.658 31.873 1.00 72.43 ATOM 873 CG GLU 56 0.242 -27.995 32.512 1.00 64.25 ATOM 874 HG1 GLU 56 0.863 -28.127 33.386 1.00 38.33 ATOM 875 HG2 GLU 56 0.381 -28.838 31.848 1.00 22.32 ATOM 876 CD GLU 56 -1.207 -27.960 32.956 1.00 22.44 ATOM 877 OE1 GLU 56 -1.843 -29.035 32.987 1.00 53.51 ATOM 878 OE2 GLU 56 -1.704 -26.860 33.274 1.00 54.04 ATOM 879 C GLU 56 -0.132 -25.234 29.958 1.00 13.15 ATOM 880 O GLU 56 -1.288 -24.833 30.097 1.00 71.21 ATOM 881 N ARG 57 0.846 -24.471 29.482 1.00 22.01 ATOM 882 HN ARG 57 1.758 -24.832 29.416 1.00 38.33 ATOM 883 CA ARG 57 0.613 -23.087 29.087 1.00 75.32 ATOM 884 HA ARG 57 0.263 -22.547 29.952 1.00 40.23 ATOM 885 CB ARG 57 1.908 -22.456 28.573 1.00 13.32 ATOM 886 HB1 ARG 57 1.675 -21.520 28.092 1.00 38.33 ATOM 887 HB2 ARG 57 2.349 -23.110 27.844 1.00 32.14 ATOM 888 CG ARG 57 2.934 -22.198 29.664 1.00 21.02 ATOM 889 HG1 ARG 57 3.846 -21.840 29.208 1.00 38.33 ATOM 890 HG2 ARG 57 3.131 -23.117 30.189 1.00 74.32 ATOM 891 CD ARG 57 2.441 -21.159 30.659 1.00 41.44 ATOM 892 HD1 ARG 57 3.236 -20.950 31.360 1.00 38.33 ATOM 893 HD2 ARG 57 1.597 -21.568 31.192 1.00 24.35 ATOM 894 NE ARG 57 2.051 -19.914 30.001 1.00 3.04 ATOM 895 HE ARG 57 2.336 -19.773 29.069 1.00 1.22 ATOM 896 CZ ARG 57 1.349 -18.957 30.597 1.00 12.04 ATOM 897 NH1 ARG 57 0.961 -19.101 31.857 1.00 25.12 ATOM 898 HH11 ARG 57 1.185 -19.918 32.383 1.00 41.44 ATOM 899 HH12 ARG 57 0.429 -18.373 32.296 1.00 34.41 ATOM 900 NH2 ARG 57 1.033 -17.853 29.933 1.00 13.31 ATOM 901 HH21 ARG 57 1.323 -17.738 28.981 1.00 21.53 ATOM 902 HH22 ARG 57 0.503 -17.130 30.381 1.00 31.33 ATOM 903 C ARG 57 -0.468 -23.004 28.012 1.00 3.24 ATOM 904 O ARG 57 -1.344 -22.139 28.063 1.00 24.22 ATOM 905 N LEU 58 -0.399 -23.907 27.041 1.00 72.03 ATOM 906 HN LEU 58 0.314 -24.588 27.056 1.00 38.33 ATOM 907 CA LEU 58 -1.371 -23.936 25.953 1.00 41.21 ATOM 908 HA LEU 58 -1.805 -22.949 25.840 1.00 24.52 ATOM 909 CB LEU 58 -0.684 -24.310 24.638 1.00 4.45 ATOM 910 HB1 LEU 58 -1.325 -23.999 23.825 1.00 38.33 ATOM 911 HB2 LEU 58 -0.593 -25.392 24.601 1.00 73.33 ATOM 912 CG LEU 58 0.707 -23.714 24.415 1.00 53.31 ATOM 913 HG LEU 58 1.325 -23.896 25.279 1.00 11.42 ATOM 914 CD1 LEU 58 1.386 -24.375 23.226 1.00 60.02 ATOM 915 HD11 LEU 58 1.124 -23.867 22.307 1.00 61.41 ATOM 916 HD12 LEU 58 1.085 -25.410 23.157 1.00 52.54 ATOM 917 HD13 LEU 58 2.450 -24.335 23.366 1.00 62.24 ATOM 918 CD2 LEU 58 0.615 -22.209 24.210 1.00 2.40 ATOM 919 HD21 LEU 58 0.018 -21.995 23.334 1.00 43.34 ATOM 920 HD22 LEU 58 1.607 -21.799 24.077 1.00 11.42 ATOM 921 HD23 LEU 58 0.156 -21.753 25.076 1.00 62.03 ATOM 922 C LEU 58 -2.494 -24.924 26.252 1.00 63.01 ATOM 923 O LEU 58 -3.668 -24.637 26.014 1.00 2.24 ATOM 924 N LEU 59 -2.126 -26.088 26.776 1.00 72.12 ATOM 925 HN LEU 59 -1.174 -26.275 26.944 1.00 38.33 ATOM 926 CA LEU 59 -3.103 -27.119 27.110 1.00 23.01 ATOM 927 HA LEU 59 -4.082 -26.806 26.791 1.00 13.10 ATOM 928 CB LEU 59 -2.758 -28.427 26.395 1.00 55.53 ATOM 929 HB1 LEU 59 -3.339 -29.226 26.843 1.00 38.33 ATOM 930 HB2 LEU 59 -1.720 -28.634 26.564 1.00 30.14 ATOM 931 CG LEU 59 -3.015 -28.454 24.887 1.00 25.44 ATOM 932 HG LEU 59 -2.399 -27.705 24.410 1.00 63.51 ATOM 933 CD1 LEU 59 -2.640 -29.809 24.307 1.00 22.43 ATOM 934 HD11 LEU 59 -3.152 -30.595 24.845 1.00 11.52 ATOM 935 HD12 LEU 59 -1.579 -29.953 24.383 1.00 55.52 ATOM 936 HD13 LEU 59 -2.924 -29.850 23.263 1.00 42.31 ATOM 937 CD2 LEU 59 -4.470 -28.128 24.588 1.00 73.03 ATOM 938 HD21 LEU 59 -5.118 -28.783 25.155 1.00 61.31 ATOM 939 HD22 LEU 59 -4.664 -28.263 23.531 1.00 30.34 ATOM 940 HD23 LEU 59 -4.675 -27.103 24.850 1.00 53.21 ATOM 941 C LEU 59 -3.157 -27.350 28.617 1.00 40.41 ATOM 942 O LEU 59 -2.677 -28.359 29.133 1.00 64.01 ATOM 943 N PRO 60 -3.758 -26.393 29.341 1.00 64.51 ATOM 944 CA PRO 60 -3.892 -26.471 30.799 1.00 43.04 ATOM 945 HA PRO 60 -2.936 -26.630 31.267 1.00 15.54 ATOM 946 CB PRO 60 -4.420 -25.086 31.180 1.00 2.14 ATOM 947 HB1 PRO 60 -3.589 -24.446 31.435 1.00 38.33 ATOM 948 HB2 PRO 60 -5.097 -25.149 32.023 1.00 21.32 ATOM 949 CG PRO 60 -5.114 -24.595 29.957 1.00 35.13 ATOM 950 HG1 PRO 60 -5.090 -23.516 29.929 1.00 38.33 ATOM 951 HG2 PRO 60 -6.134 -24.949 29.947 1.00 11.21 ATOM 952 CD PRO 60 -4.353 -25.163 28.792 1.00 24.41 ATOM 953 HD1 PRO 60 -3.591 -24.467 28.493 1.00 38.33 ATOM 954 HD2 PRO 60 -5.025 -25.375 27.976 1.00 44.11 ATOM 955 C PRO 60 -4.873 -27.554 31.234 1.00 51.13 ATOM 956 O PRO 60 -6.074 -27.453 30.986 1.00 62.15 ATOM 957 N GLY 61 -4.354 -28.590 31.885 1.00 24.21 ATOM 958 HN GLY 61 -3.406 -28.619 32.068 1.00 38.33 ATOM 959 CA GLY 61 -5.199 -29.677 32.345 1.00 43.24 ATOM 960 HA1 GLY 61 -6.238 -29.485 32.108 1.00 38.33 ATOM 961 HA2 GLY 61 -5.103 -29.751 33.418 1.00 41.02 ATOM 962 C GLY 61 -4.808 -31.011 31.740 1.00 4.24 ATOM 963 O GLY 61 -5.604 -31.950 31.721 1.00 24.33 ATOM 964 N THR 62 -3.578 -31.096 31.243 1.00 44.31 ATOM 965 HN THR 62 -2.973 -30.331 31.280 1.00 38.33 ATOM 966 CA THR 62 -3.083 -32.323 30.632 1.00 32.24 ATOM 967 HA THR 62 -3.916 -33.006 30.491 1.00 65.23 ATOM 968 CB THR 62 -2.446 -32.049 29.257 1.00 21.40 ATOM 969 HB THR 62 -1.395 -31.817 29.383 1.00 73.44 ATOM 970 OG1 THR 62 -3.082 -30.926 28.637 1.00 21.13 ATOM 971 HG1 THR 62 -4.027 -31.088 28.513 1.00 21.43 ATOM 972 CG2 THR 62 -2.564 -33.268 28.354 1.00 52.44 ATOM 973 HG21 THR 62 -2.111 -33.051 27.398 1.00 55.25 ATOM 974 HG22 THR 62 -3.607 -33.513 28.209 1.00 43.14 ATOM 975 HG23 THR 62 -2.057 -34.107 28.809 1.00 21.34 ATOM 976 C THR 62 -2.057 -33.008 31.528 1.00 71.11 ATOM 977 O THR 62 -2.025 -34.235 31.625 1.00 61.35 ATOM 978 N ILE 63 -1.221 -32.208 32.181 1.00 32.21 ATOM 979 HN ILE 63 -1.278 -31.234 32.063 1.00 38.33 ATOM 980 CA ILE 63 -0.195 -32.739 33.070 1.00 12.53 ATOM 981 HA ILE 63 0.180 -33.665 32.640 1.00 34.14 ATOM 982 CB ILE 63 0.991 -31.765 33.205 1.00 34.24 ATOM 983 HB ILE 63 0.641 -30.860 33.684 1.00 54.13 ATOM 984 CG1 ILE 63 1.547 -31.410 31.825 1.00 55.41 ATOM 985 HG11 ILE 63 2.328 -30.671 31.941 1.00 38.33 ATOM 986 HG12 ILE 63 0.763 -30.993 31.210 1.00 35.51 ATOM 987 CG2 ILE 63 2.077 -32.373 34.080 1.00 45.43 ATOM 988 HG21 ILE 63 1.759 -32.356 35.112 1.00 41.23 ATOM 989 HG22 ILE 63 2.990 -31.798 33.988 1.00 73.42 ATOM 990 HG23 ILE 63 2.269 -33.396 33.785 1.00 12.25 ATOM 991 CD1 ILE 63 2.139 -32.591 31.089 1.00 31.24 ATOM 992 HD11 ILE 63 2.783 -32.225 30.307 1.00 72.43 ATOM 993 HD12 ILE 63 1.345 -33.177 30.653 1.00 22.41 ATOM 994 HD13 ILE 63 2.719 -33.213 31.750 1.00 61.21 ATOM 995 C ILE 63 -0.763 -33.025 34.456 1.00 35.21 ATOM 996 O ILE 63 -1.162 -32.110 35.175 1.00 10.22 ATOM 997 N GLU 64 -0.795 -34.302 34.824 1.00 34.21 ATOM 998 HN GLU 64 -0.452 -34.995 34.211 1.00 38.33 ATOM 999 CA GLU 64 -1.314 -34.709 36.125 1.00 50.11 ATOM 1000 HA GLU 64 -1.969 -33.933 36.504 1.00 61.51 ATOM 1001 CB GLU 64 -2.127 -35.999 35.994 1.00 2.31 ATOM 1002 HB1 GLU 64 -1.497 -36.766 35.567 1.00 38.33 ATOM 1003 HB2 GLU 64 -2.952 -35.811 35.320 1.00 2.01 ATOM 1004 CG GLU 64 -2.673 -36.511 37.316 1.00 1.44 ATOM 1005 HG1 GLU 64 -2.904 -35.671 37.960 1.00 38.33 ATOM 1006 HG2 GLU 64 -1.919 -37.124 37.787 1.00 62.42 ATOM 1007 CD GLU 64 -3.932 -37.338 37.146 1.00 21.52 ATOM 1008 OE1 GLU 64 -3.895 -38.547 37.459 1.00 10.31 ATOM 1009 OE2 GLU 64 -4.955 -36.777 36.700 1.00 25.10 ATOM 1010 C GLU 64 -0.179 -34.909 37.125 1.00 62.22 ATOM 1011 O GLU 64 -0.304 -34.566 38.301 1.00 63.34 ATOM 1012 N LYS 65 0.929 -35.468 36.649 1.00 50.31 ATOM 1013 HN LYS 65 0.970 -35.756 35.708 1.00 38.33 ATOM 1014 CA LYS 65 2.088 -35.714 37.499 1.00 71.23 ATOM 1015 HA LYS 65 2.020 -35.074 38.372 1.00 10.12 ATOM 1016 CB LYS 65 2.103 -37.172 37.965 1.00 44.30 ATOM 1017 HB1 LYS 65 1.981 -37.814 37.105 1.00 38.33 ATOM 1018 HB2 LYS 65 1.276 -37.331 38.642 1.00 21.24 ATOM 1019 CG LYS 65 3.386 -37.569 38.676 1.00 75.44 ATOM 1020 HG1 LYS 65 4.216 -37.520 37.987 1.00 38.33 ATOM 1021 HG2 LYS 65 3.273 -38.590 39.017 1.00 31.55 ATOM 1022 CD LYS 65 3.666 -36.667 39.866 1.00 63.33 ATOM 1023 HD1 LYS 65 2.736 -36.297 40.280 1.00 38.33 ATOM 1024 HD2 LYS 65 4.272 -35.843 39.548 1.00 5.42 ATOM 1025 CE LYS 65 4.420 -37.407 40.961 1.00 74.25 ATOM 1026 HE1 LYS 65 5.436 -37.570 40.633 1.00 38.33 ATOM 1027 HE2 LYS 65 3.943 -38.362 41.142 1.00 1.24 ATOM 1028 NZ LYS 65 4.441 -36.639 42.236 1.00 41.52 ATOM 1029 HZ1 LYS 65 3.470 -36.475 42.576 1.00 1.03 ATOM 1030 HZ2 LYS 65 4.909 -35.719 42.098 1.00 70.15 ATOM 1031 HZ3 LYS 65 4.963 -37.171 42.962 1.00 64.13 ATOM 1032 C LYS 65 3.383 -35.392 36.760 1.00 72.14 ATOM 1033 O LYS 65 3.595 -35.841 35.633 1.00 34.21 ATOM 1034 N VAL 66 4.247 -34.613 37.402 1.00 42.54 ATOM 1035 HN VAL 66 4.013 -34.245 38.285 1.00 38.33 ATOM 1036 CA VAL 66 5.523 -34.233 36.806 1.00 13.31 ATOM 1037 HA VAL 66 5.736 -34.904 35.979 1.00 23.32 ATOM 1038 CB VAL 66 5.483 -32.791 36.267 1.00 50.44 ATOM 1039 HB VAL 66 4.539 -32.640 35.764 1.00 4.54 ATOM 1040 CG1 VAL 66 5.578 -31.790 37.409 1.00 74.34 ATOM 1041 HG11 VAL 66 6.611 -31.610 37.662 1.00 45.53 ATOM 1042 HG12 VAL 66 5.052 -32.158 38.281 1.00 55.33 ATOM 1043 HG13 VAL 66 5.127 -30.860 37.096 1.00 34.21 ATOM 1044 CG2 VAL 66 6.600 -32.568 35.258 1.00 22.43 ATOM 1045 HG21 VAL 66 6.689 -33.425 34.609 1.00 24.11 ATOM 1046 HG22 VAL 66 7.540 -32.409 35.769 1.00 54.22 ATOM 1047 HG23 VAL 66 6.371 -31.699 34.674 1.00 32.13 ATOM 1048 C VAL 66 6.659 -34.355 37.816 1.00 54.05 ATOM 1049 O VAL 66 6.427 -34.398 39.024 1.00 22.10 ATOM 1050 N TYR 67 7.887 -34.410 37.312 1.00 55.10 ATOM 1051 HN TYR 67 8.020 -34.417 36.340 1.00 38.33 ATOM 1052 CA TYR 67 9.060 -34.529 38.170 1.00 73.14 ATOM 1053 HA TYR 67 8.749 -34.715 39.183 1.00 55.11 ATOM 1054 CB TYR 67 9.926 -35.708 37.723 1.00 1.11 ATOM 1055 HB1 TYR 67 10.818 -35.743 38.337 1.00 38.33 ATOM 1056 HB2 TYR 67 10.217 -35.572 36.702 1.00 11.11 ATOM 1057 CG TYR 67 9.239 -37.048 37.854 1.00 30.44 ATOM 1058 CD1 TYR 67 9.403 -38.033 36.888 1.00 20.11 ATOM 1059 HD1 TYR 67 10.024 -37.828 36.040 1.00 21.55 ATOM 1060 CD2 TYR 67 8.426 -37.330 38.946 1.00 63.44 ATOM 1061 HD2 TYR 67 8.283 -36.590 39.716 1.00 51.02 ATOM 1062 CE1 TYR 67 8.776 -39.259 37.004 1.00 45.33 ATOM 1063 HE1 TYR 67 8.916 -40.013 36.254 1.00 71.24 ATOM 1064 CE2 TYR 67 7.797 -38.554 39.070 1.00 10.03 ATOM 1065 HE2 TYR 67 7.170 -38.754 39.926 1.00 52.33 ATOM 1066 CZ TYR 67 7.975 -39.515 38.097 1.00 53.55 ATOM 1067 OH TYR 67 7.350 -40.735 38.216 1.00 0.21 ATOM 1068 HH TYR 67 6.409 -40.639 38.040 1.00 2.32 ATOM 1069 C TYR 67 9.881 -33.244 38.151 1.00 42.33 ATOM 1070 O TYR 67 10.877 -33.123 37.437 1.00 70.32 ATOM 1071 N PRO 68 9.455 -32.259 38.955 1.00 2.33 ATOM 1072 CA PRO 68 10.137 -30.964 39.051 1.00 34.32 ATOM 1073 HA PRO 68 10.264 -30.518 38.088 1.00 74.44 ATOM 1074 CB PRO 68 9.176 -30.119 39.892 1.00 63.40 ATOM 1075 HB1 PRO 68 8.523 -29.564 39.236 1.00 38.33 ATOM 1076 HB2 PRO 68 9.721 -29.429 40.525 1.00 53.23 ATOM 1077 CG PRO 68 8.407 -31.109 40.697 1.00 11.22 ATOM 1078 HG1 PRO 68 7.431 -30.711 40.934 1.00 38.33 ATOM 1079 HG2 PRO 68 8.947 -31.345 41.602 1.00 33.23 ATOM 1080 CD PRO 68 8.276 -32.333 39.834 1.00 53.11 ATOM 1081 HD1 PRO 68 7.375 -32.279 39.283 1.00 38.33 ATOM 1082 HD2 PRO 68 8.296 -33.218 40.450 1.00 53.43 ATOM 1083 C PRO 68 11.493 -31.073 39.739 1.00 11.25 ATOM 1084 O PRO 68 12.350 -30.204 39.582 1.00 15.43 ATOM 1085 N GLU 69 11.681 -32.146 40.502 1.00 55.32 ATOM 1086 HN GLU 69 10.957 -32.798 40.628 1.00 38.33 ATOM 1087 CA GLU 69 12.934 -32.366 41.214 1.00 33.10 ATOM 1088 HA GLU 69 13.705 -31.736 40.790 1.00 65.43 ATOM 1089 CB GLU 69 12.781 -31.987 42.689 1.00 63.43 ATOM 1090 HB1 GLU 69 12.771 -30.909 42.764 1.00 38.33 ATOM 1091 HB2 GLU 69 13.634 -32.363 43.242 1.00 43.25 ATOM 1092 CG GLU 69 11.505 -32.513 43.323 1.00 13.23 ATOM 1093 HG1 GLU 69 11.365 -33.548 43.045 1.00 38.33 ATOM 1094 HG2 GLU 69 10.673 -31.930 42.958 1.00 4.32 ATOM 1095 CD GLU 69 11.525 -32.423 44.837 1.00 45.52 ATOM 1096 OE1 GLU 69 10.453 -32.189 45.433 1.00 44.34 ATOM 1097 OE2 GLU 69 12.615 -32.586 45.425 1.00 31.13 ATOM 1098 C GLU 69 13.379 -33.821 41.095 1.00 53.15 ATOM 1099 O GLU 69 13.309 -34.598 42.047 1.00 41.01 ATOM 1100 N PRO 70 13.847 -34.199 39.896 1.00 70.30 ATOM 1101 CA PRO 70 14.313 -35.562 39.622 1.00 33.13 ATOM 1102 HA PRO 70 13.560 -36.294 39.883 1.00 50.12 ATOM 1103 CB PRO 70 14.524 -35.567 38.106 1.00 31.13 ATOM 1104 HB1 PRO 70 13.630 -35.932 37.623 1.00 38.33 ATOM 1105 HB2 PRO 70 15.355 -36.202 37.849 1.00 33.54 ATOM 1106 CG PRO 70 14.778 -34.142 37.755 1.00 52.15 ATOM 1107 HG1 PRO 70 14.464 -33.952 36.739 1.00 38.33 ATOM 1108 HG2 PRO 70 15.828 -33.916 37.872 1.00 71.25 ATOM 1109 CD PRO 70 13.958 -33.326 38.716 1.00 44.23 ATOM 1110 HD1 PRO 70 12.994 -33.112 38.301 1.00 38.33 ATOM 1111 HD2 PRO 70 14.478 -32.412 38.955 1.00 61.44 ATOM 1112 C PRO 70 15.617 -35.885 40.343 1.00 2.40 ATOM 1113 O PRO 70 16.481 -35.022 40.498 1.00 4.40 ATOM 1114 N ARG 71 15.753 -37.132 40.781 1.00 1.01 ATOM 1115 HN ARG 71 15.016 -37.772 40.658 1.00 38.33 ATOM 1116 CA ARG 71 16.952 -37.568 41.486 1.00 5.32 ATOM 1117 HA ARG 71 17.621 -36.722 41.604 1.00 62.32 ATOM 1118 CB ARG 71 16.589 -38.104 42.872 1.00 12.31 ATOM 1119 HB1 ARG 71 16.272 -39.137 42.788 1.00 38.33 ATOM 1120 HB2 ARG 71 15.760 -37.527 43.266 1.00 62.32 ATOM 1121 CG ARG 71 17.735 -38.043 43.869 1.00 53.52 ATOM 1122 HG1 ARG 71 18.650 -38.366 43.390 1.00 38.33 ATOM 1123 HG2 ARG 71 17.511 -38.702 44.695 1.00 4.01 ATOM 1124 CD ARG 71 17.928 -36.634 44.409 1.00 21.44 ATOM 1125 HD1 ARG 71 16.967 -36.256 44.740 1.00 38.33 ATOM 1126 HD2 ARG 71 18.308 -36.006 43.617 1.00 23.21 ATOM 1127 NE ARG 71 18.863 -36.602 45.531 1.00 32.41 ATOM 1128 HE ARG 71 19.399 -37.410 45.709 1.00 15.42 ATOM 1129 CZ ARG 71 19.032 -35.545 46.317 1.00 44.45 ATOM 1130 NH1 ARG 71 18.334 -34.438 46.104 1.00 75.21 ATOM 1131 HH11 ARG 71 17.676 -34.371 45.358 1.00 13.41 ATOM 1132 HH12 ARG 71 18.467 -33.647 46.705 1.00 62.44 ATOM 1133 NH2 ARG 71 19.902 -35.593 47.317 1.00 1.44 ATOM 1134 HH21 ARG 71 20.434 -36.426 47.482 1.00 74.01 ATOM 1135 HH22 ARG 71 20.031 -34.796 47.911 1.00 61.13 ATOM 1136 C ARG 71 17.691 -38.641 40.692 1.00 54.05 ATOM 1137 O ARG 71 18.898 -38.824 40.849 1.00 53.23 ATOM 1138 N SER 72 16.957 -39.348 39.838 1.00 35.35 ATOM 1139 HN SER 72 15.998 -39.185 39.748 1.00 38.33 ATOM 1140 CA SER 72 17.540 -40.406 39.022 1.00 23.44 ATOM 1141 HA SER 72 18.595 -40.497 39.248 1.00 61.33 ATOM 1142 CB SER 72 16.867 -41.746 39.329 1.00 43.34 ATOM 1143 HB1 SER 72 15.943 -41.839 38.772 1.00 38.33 ATOM 1144 HB2 SER 72 16.649 -41.802 40.387 1.00 55.25 ATOM 1145 OG SER 72 17.715 -42.831 38.994 1.00 2.24 ATOM 1146 HG SER 72 17.217 -43.651 39.034 1.00 15.01 ATOM 1147 C SER 72 17.405 -40.084 37.537 1.00 20.23 ATOM 1148 O SER 72 16.922 -39.015 37.165 1.00 30.42 ATOM 1149 N GLU 73 17.836 -41.017 36.694 1.00 32.30 ATOM 1150 HN GLU 73 18.218 -41.856 37.047 1.00 38.33 ATOM 1151 CA GLU 73 17.764 -40.832 35.249 1.00 32.44 ATOM 1152 HA GLU 73 17.998 -39.795 35.028 1.00 72.21 ATOM 1153 CB GLU 73 18.782 -41.732 34.546 1.00 24.04 ATOM 1154 HB1 GLU 73 18.401 -42.744 34.495 1.00 38.33 ATOM 1155 HB2 GLU 73 19.694 -41.736 35.131 1.00 1.24 ATOM 1156 CG GLU 73 19.125 -41.278 33.137 1.00 33.42 ATOM 1157 HG1 GLU 73 19.348 -40.226 33.171 1.00 38.33 ATOM 1158 HG2 GLU 73 18.273 -41.447 32.496 1.00 61.35 ATOM 1159 CD GLU 73 20.325 -42.007 32.565 1.00 72.51 ATOM 1160 OE1 GLU 73 21.362 -42.077 33.258 1.00 74.31 ATOM 1161 OE2 GLU 73 20.228 -42.508 31.425 1.00 52.30 ATOM 1162 C GLU 73 16.360 -41.134 34.732 1.00 42.53 ATOM 1163 O GLU 73 15.826 -40.405 33.895 1.00 30.25 ATOM 1164 N SER 74 15.769 -42.213 35.235 1.00 41.52 ATOM 1165 HN SER 74 16.251 -42.769 35.893 1.00 38.33 ATOM 1166 CA SER 74 14.430 -42.614 34.821 1.00 53.53 ATOM 1167 HA SER 74 14.479 -42.918 33.785 1.00 34.44 ATOM 1168 CB SER 74 13.945 -43.795 35.663 1.00 61.55 ATOM 1169 HB1 SER 74 12.862 -43.803 35.708 1.00 38.33 ATOM 1170 HB2 SER 74 14.340 -43.714 36.666 1.00 75.44 ATOM 1171 OG SER 74 14.373 -45.027 35.107 1.00 4.21 ATOM 1172 HG SER 74 13.795 -45.272 34.379 1.00 2.44 ATOM 1173 C SER 74 13.451 -41.450 34.946 1.00 0.24 ATOM 1174 O SER 74 12.685 -41.168 34.026 1.00 35.10 ATOM 1175 N GLU 75 13.484 -40.778 36.093 1.00 22.11 ATOM 1176 HN GLU 75 14.119 -41.053 36.797 1.00 38.33 ATOM 1177 CA GLU 75 12.600 -39.645 36.340 1.00 33.50 ATOM 1178 HA GLU 75 11.579 -39.972 36.179 1.00 41.44 ATOM 1179 CB GLU 75 12.752 -39.156 37.782 1.00 41.54 ATOM 1180 HB1 GLU 75 12.479 -38.109 37.825 1.00 38.33 ATOM 1181 HB2 GLU 75 13.789 -39.254 38.078 1.00 11.41 ATOM 1182 CG GLU 75 11.903 -39.926 38.779 1.00 5.22 ATOM 1183 HG1 GLU 75 12.479 -40.761 39.150 1.00 38.33 ATOM 1184 HG2 GLU 75 11.011 -40.295 38.289 1.00 25.33 ATOM 1185 CD GLU 75 11.475 -39.076 39.959 1.00 15.32 ATOM 1186 OE1 GLU 75 11.353 -39.625 41.074 1.00 74.11 ATOM 1187 OE2 GLU 75 11.261 -37.860 39.767 1.00 20.14 ATOM 1188 C GLU 75 12.893 -38.505 35.370 1.00 52.41 ATOM 1189 O GLU 75 11.977 -37.901 34.810 1.00 13.11 ATOM 1190 N CYS 76 14.175 -38.215 35.177 1.00 74.13 ATOM 1191 HN CYS 76 14.866 -38.725 35.663 1.00 38.33 ATOM 1192 CA CYS 76 14.590 -37.146 34.275 1.00 14.25 ATOM 1193 HA CYS 76 14.193 -36.214 34.657 1.00 61.32 ATOM 1194 CB CYS 76 16.116 -37.066 34.214 1.00 14.32 ATOM 1195 HB1 CYS 76 16.426 -36.663 33.257 1.00 38.33 ATOM 1196 HB2 CYS 76 16.533 -38.056 34.327 1.00 33.51 ATOM 1197 SG CYS 76 16.852 -36.018 35.491 1.00 33.52 ATOM 1198 HG CYS 76 17.059 -34.819 34.967 1.00 54.01 ATOM 1199 C CYS 76 14.023 -37.364 32.876 1.00 1.32 ATOM 1200 O CYS 76 13.550 -36.425 32.233 1.00 24.50 ATOM 1201 N LEU 77 14.075 -38.606 32.410 1.00 61.34 ATOM 1202 HN LEU 77 14.467 -39.319 32.968 1.00 38.33 ATOM 1203 CA LEU 77 13.568 -38.948 31.085 1.00 45.01 ATOM 1204 HA LEU 77 13.910 -38.197 30.383 1.00 63.43 ATOM 1205 CB LEU 77 14.109 -40.310 30.646 1.00 32.23 ATOM 1206 HB1 LEU 77 13.570 -40.631 29.760 1.00 38.33 ATOM 1207 HB2 LEU 77 13.886 -41.011 31.441 1.00 61.20 ATOM 1208 CG LEU 77 15.607 -40.374 30.348 1.00 2.44 ATOM 1209 HG LEU 77 16.144 -39.788 31.082 1.00 61.52 ATOM 1210 CD1 LEU 77 16.110 -41.806 30.443 1.00 1.31 ATOM 1211 HD11 LEU 77 17.174 -41.830 30.253 1.00 21.23 ATOM 1212 HD12 LEU 77 15.602 -42.421 29.713 1.00 74.15 ATOM 1213 HD13 LEU 77 15.917 -42.193 31.434 1.00 52.30 ATOM 1214 CD2 LEU 77 15.903 -39.792 28.973 1.00 33.54 ATOM 1215 HD21 LEU 77 16.918 -40.019 28.689 1.00 23.45 ATOM 1216 HD22 LEU 77 15.768 -38.723 29.006 1.00 64.12 ATOM 1217 HD23 LEU 77 15.227 -40.216 28.240 1.00 23.21 ATOM 1218 C LEU 77 12.043 -38.965 31.073 1.00 23.30 ATOM 1219 O LEU 77 11.417 -38.674 30.054 1.00 62.31 ATOM 1220 N SER 78 11.452 -39.306 32.213 1.00 34.33 ATOM 1221 HN SER 78 11.999 -39.553 32.992 1.00 38.33 ATOM 1222 CA SER 78 9.999 -39.363 32.334 1.00 45.01 ATOM 1223 HA SER 78 9.630 -40.088 31.621 1.00 75.53 ATOM 1224 CB SER 78 9.600 -39.809 33.742 1.00 45.01 ATOM 1225 HB1 SER 78 9.857 -39.046 34.445 1.00 38.33 ATOM 1226 HB2 SER 78 10.133 -40.716 33.990 1.00 11.13 ATOM 1227 OG SER 78 8.208 -40.060 33.822 1.00 0.40 ATOM 1228 HG SER 78 8.044 -40.815 34.393 1.00 52.21 ATOM 1229 C SER 78 9.375 -38.006 32.022 1.00 61.32 ATOM 1230 O SER 78 8.342 -37.924 31.360 1.00 75.23 ATOM 1231 N ASN 79 10.012 -36.944 32.504 1.00 35.04 ATOM 1232 HN ASN 79 10.828 -37.069 33.045 1.00 38.33 ATOM 1233 CA ASN 79 9.519 -35.590 32.278 1.00 22.02 ATOM 1234 HA ASN 79 8.579 -35.486 32.803 1.00 54.14 ATOM 1235 CB ASN 79 10.522 -34.565 32.810 1.00 3.44 ATOM 1236 HB1 ASN 79 10.326 -33.624 32.347 1.00 38.33 ATOM 1237 HB2 ASN 79 11.521 -34.886 32.570 1.00 24.13 ATOM 1238 CG ASN 79 10.407 -34.367 34.310 1.00 61.44 ATOM 1239 OD1 ASN 79 9.319 -34.461 34.877 1.00 13.34 ATOM 1240 ND2 ASN 79 11.533 -34.093 34.958 1.00 12.23 ATOM 1241 HD21 ASN 79 12.374 -34.032 34.451 1.00 42.42 ATOM 1242 HD22 ASN 79 11.481 -33.959 35.926 1.00 23.23 ATOM 1243 C ASN 79 9.263 -35.345 30.794 1.00 25.02 ATOM 1244 O ASN 79 8.248 -34.759 30.418 1.00 42.24 ATOM 1245 N ILE 80 10.190 -35.798 29.957 1.00 25.21 ATOM 1246 HN ILE 80 10.980 -36.267 30.315 1.00 38.33 ATOM 1247 CA ILE 80 10.065 -35.630 28.515 1.00 54.23 ATOM 1248 HA ILE 80 9.860 -34.584 28.311 1.00 41.23 ATOM 1249 CB ILE 80 11.365 -36.017 27.787 1.00 25.00 ATOM 1250 HB ILE 80 11.567 -37.061 27.992 1.00 44.43 ATOM 1251 CG1 ILE 80 12.532 -35.167 28.295 1.00 21.53 ATOM 1252 HG11 ILE 80 12.476 -35.060 29.369 1.00 38.33 ATOM 1253 HG12 ILE 80 12.490 -34.183 27.848 1.00 23.45 ATOM 1254 CG2 ILE 80 11.200 -35.854 26.283 1.00 10.05 ATOM 1255 HG21 ILE 80 10.597 -36.660 25.894 1.00 40.53 ATOM 1256 HG22 ILE 80 12.164 -35.874 25.801 1.00 11.30 ATOM 1257 HG23 ILE 80 10.718 -34.910 26.064 1.00 32.44 ATOM 1258 CD1 ILE 80 13.890 -35.756 27.982 1.00 72.31 ATOM 1259 HD11 ILE 80 14.660 -35.067 28.294 1.00 20.23 ATOM 1260 HD12 ILE 80 13.979 -35.937 26.922 1.00 14.22 ATOM 1261 HD13 ILE 80 14.008 -36.687 28.515 1.00 3.31 ATOM 1262 C ILE 80 8.917 -36.468 27.962 1.00 40.14 ATOM 1263 O ILE 80 8.079 -35.971 27.209 1.00 72.31 ATOM 1264 N ARG 81 8.885 -37.741 28.341 1.00 31.12 ATOM 1265 HN ARG 81 9.591 -38.085 28.940 1.00 38.33 ATOM 1266 CA ARG 81 7.840 -38.649 27.884 1.00 54.43 ATOM 1267 HA ARG 81 7.958 -38.787 26.822 1.00 72.14 ATOM 1268 CB ARG 81 7.963 -40.000 28.589 1.00 23.35 ATOM 1269 HB1 ARG 81 6.978 -40.438 28.709 1.00 38.33 ATOM 1270 HB2 ARG 81 8.387 -39.840 29.573 1.00 13.30 ATOM 1271 CG ARG 81 8.820 -41.005 27.836 1.00 55.22 ATOM 1272 HG1 ARG 81 9.601 -40.484 27.295 1.00 38.33 ATOM 1273 HG2 ARG 81 8.196 -41.542 27.137 1.00 22.34 ATOM 1274 CD ARG 81 9.470 -42.003 28.781 1.00 0.52 ATOM 1275 HD1 ARG 81 9.872 -41.472 29.636 1.00 38.33 ATOM 1276 HD2 ARG 81 10.278 -42.493 28.257 1.00 21.21 ATOM 1277 NE ARG 81 8.526 -43.018 29.240 1.00 53.31 ATOM 1278 HE ARG 81 7.645 -43.061 28.800 1.00 14.13 ATOM 1279 CZ ARG 81 8.792 -43.884 30.211 1.00 10.44 ATOM 1280 NH1 ARG 81 9.968 -43.857 30.824 1.00 72.35 ATOM 1281 HH11 ARG 81 10.672 -43.197 30.573 1.00 52.10 ATOM 1282 HH12 ARG 81 10.158 -44.513 31.557 1.00 43.34 ATOM 1283 NH2 ARG 81 7.881 -44.778 30.573 1.00 52.01 ATOM 1284 HH21 ARG 81 6.990 -44.803 30.115 1.00 42.31 ATOM 1285 HH22 ARG 81 8.080 -45.433 31.305 1.00 61.22 ATOM 1286 C ARG 81 6.456 -38.056 28.136 1.00 43.12 ATOM 1287 O ARG 81 5.604 -38.047 27.249 1.00 72.24 ATOM 1288 N GLU 82 6.242 -37.562 29.351 1.00 22.14 ATOM 1289 HN GLU 82 6.963 -37.609 30.022 1.00 38.33 ATOM 1290 CA GLU 82 4.962 -36.969 29.720 1.00 70.04 ATOM 1291 HA GLU 82 4.221 -37.751 29.689 1.00 13.34 ATOM 1292 CB GLU 82 5.039 -36.367 31.124 1.00 11.31 ATOM 1293 HB1 GLU 82 4.901 -35.303 31.065 1.00 38.33 ATOM 1294 HB2 GLU 82 6.010 -36.561 31.558 1.00 2.30 ATOM 1295 CG GLU 82 3.986 -36.907 32.077 1.00 73.24 ATOM 1296 HG1 GLU 82 3.008 -36.698 31.669 1.00 38.33 ATOM 1297 HG2 GLU 82 4.092 -36.409 33.029 1.00 52.33 ATOM 1298 CD GLU 82 4.111 -38.402 32.297 1.00 32.22 ATOM 1299 OE1 GLU 82 4.755 -38.803 33.289 1.00 32.04 ATOM 1300 OE2 GLU 82 3.565 -39.171 31.478 1.00 24.13 ATOM 1301 C GLU 82 4.551 -35.896 28.716 1.00 52.32 ATOM 1302 O GLU 82 3.416 -35.878 28.239 1.00 13.54 ATOM 1303 N PHE 83 5.482 -35.002 28.399 1.00 21.05 ATOM 1304 HN PHE 83 6.374 -35.064 28.817 1.00 38.33 ATOM 1305 CA PHE 83 5.217 -33.924 27.454 1.00 43.02 ATOM 1306 HA PHE 83 4.412 -33.320 27.850 1.00 73.31 ATOM 1307 CB PHE 83 6.459 -33.045 27.289 1.00 13.35 ATOM 1308 HB1 PHE 83 7.309 -33.676 27.075 1.00 38.33 ATOM 1309 HB2 PHE 83 6.641 -32.521 28.219 1.00 22.02 ATOM 1310 CG PHE 83 6.330 -32.025 26.194 1.00 24.20 ATOM 1311 CD1 PHE 83 6.960 -32.216 24.974 1.00 34.25 ATOM 1312 HD1 PHE 83 7.548 -33.109 24.810 1.00 11.23 ATOM 1313 CD2 PHE 83 5.581 -30.875 26.384 1.00 31.41 ATOM 1314 HD2 PHE 83 5.085 -30.715 27.330 1.00 62.32 ATOM 1315 CE1 PHE 83 6.843 -31.280 23.964 1.00 23.11 ATOM 1316 HE1 PHE 83 7.339 -31.441 23.018 1.00 74.53 ATOM 1317 CE2 PHE 83 5.461 -29.936 25.377 1.00 34.14 ATOM 1318 HE2 PHE 83 4.875 -29.043 25.538 1.00 1.21 ATOM 1319 CZ PHE 83 6.094 -30.138 24.166 1.00 35.14 ATOM 1320 HZ PHE 83 6.012 -29.411 23.378 1.00 12.13 ATOM 1321 C PHE 83 4.792 -34.482 26.099 1.00 50.54 ATOM 1322 O PHE 83 3.890 -33.949 25.451 1.00 40.25 ATOM 1323 N LEU 84 5.448 -35.557 25.676 1.00 51.41 ATOM 1324 HN LEU 84 6.163 -35.943 26.236 1.00 38.33 ATOM 1325 CA LEU 84 5.139 -36.188 24.397 1.00 3.53 ATOM 1326 HA LEU 84 5.074 -35.415 23.641 1.00 15.53 ATOM 1327 CB LEU 84 6.252 -37.161 24.005 1.00 33.51 ATOM 1328 HB1 LEU 84 6.017 -37.578 23.032 1.00 38.33 ATOM 1329 HB2 LEU 84 6.242 -37.972 24.727 1.00 33.24 ATOM 1330 CG LEU 84 7.666 -36.582 23.960 1.00 21.14 ATOM 1331 HG LEU 84 7.813 -35.917 24.796 1.00 1.22 ATOM 1332 CD1 LEU 84 8.701 -37.691 24.069 1.00 31.24 ATOM 1333 HD11 LEU 84 8.450 -38.497 23.397 1.00 33.00 ATOM 1334 HD12 LEU 84 8.715 -38.063 25.076 1.00 62.35 ATOM 1335 HD13 LEU 84 9.684 -37.309 23.822 1.00 44.32 ATOM 1336 CD2 LEU 84 7.874 -35.780 22.684 1.00 12.01 ATOM 1337 HD21 LEU 84 7.064 -35.938 21.993 1.00 63.32 ATOM 1338 HD22 LEU 84 8.797 -36.072 22.219 1.00 63.33 ATOM 1339 HD23 LEU 84 7.919 -34.731 22.936 1.00 52.51 ATOM 1340 C LEU 84 3.804 -36.922 24.461 1.00 51.13 ATOM 1341 O LEU 84 3.124 -37.083 23.447 1.00 11.41 ATOM 1342 N ARG 85 3.434 -37.363 25.658 1.00 34.52 ATOM 1343 HN ARG 85 4.023 -37.229 26.431 1.00 38.33 ATOM 1344 CA ARG 85 2.179 -38.080 25.854 1.00 11.31 ATOM 1345 HA ARG 85 2.092 -38.821 25.068 1.00 30.35 ATOM 1346 CB ARG 85 2.173 -38.779 27.215 1.00 41.32 ATOM 1347 HB1 ARG 85 1.775 -38.109 27.967 1.00 38.33 ATOM 1348 HB2 ARG 85 3.192 -39.027 27.490 1.00 3.53 ATOM 1349 CG ARG 85 1.349 -40.055 27.240 1.00 34.32 ATOM 1350 HG1 ARG 85 0.395 -39.875 26.762 1.00 38.33 ATOM 1351 HG2 ARG 85 1.184 -40.342 28.269 1.00 14.52 ATOM 1352 CD ARG 85 2.057 -41.190 26.518 1.00 71.45 ATOM 1353 HD1 ARG 85 2.573 -40.802 25.650 1.00 38.33 ATOM 1354 HD2 ARG 85 1.319 -41.903 26.182 1.00 25.21 ATOM 1355 NE ARG 85 3.033 -41.860 27.374 1.00 53.35 ATOM 1356 HE ARG 85 3.979 -41.625 27.249 1.00 11.32 ATOM 1357 CZ ARG 85 2.707 -42.756 28.298 1.00 13.12 ATOM 1358 NH1 ARG 85 1.437 -43.089 28.485 1.00 10.32 ATOM 1359 HH11 ARG 85 0.704 -42.680 27.948 1.00 52.25 ATOM 1360 HH12 ARG 85 1.203 -43.770 29.183 1.00 3.34 ATOM 1361 NH2 ARG 85 3.652 -43.322 29.038 1.00 11.40 ATOM 1362 HH21 ARG 85 4.614 -43.075 28.902 1.00 62.42 ATOM 1363 HH22 ARG 85 3.408 -43.998 29.736 1.00 53.34 ATOM 1364 C ARG 85 0.989 -37.130 25.753 1.00 1.31 ATOM 1365 O ARG 85 -0.081 -37.507 25.278 1.00 60.02 ATOM 1366 N GLY 86 1.185 -35.894 26.205 1.00 75.43 ATOM 1367 HN GLY 86 2.049 -35.635 26.595 1.00 38.33 ATOM 1368 CA GLY 86 0.119 -34.910 26.157 1.00 43.01 ATOM 1369 HA1 GLY 86 0.356 -34.121 26.833 1.00 38.33 ATOM 1370 HA2 GLY 86 -0.811 -35.366 26.475 1.00 73.40 ATOM 1371 C GLY 86 -0.071 -34.329 24.770 1.00 13.20 ATOM 1372 O GLY 86 -1.165 -34.395 24.207 1.00 64.12 ATOM 1373 N CYS 87 0.993 -33.757 24.219 1.00 41.42 ATOM 1374 HN CYS 87 1.843 -33.734 24.722 1.00 38.33 ATOM 1375 CA CYS 87 0.937 -33.159 22.890 1.00 45.45 ATOM 1376 HA CYS 87 0.232 -32.338 22.922 1.00 73.32 ATOM 1377 CB CYS 87 2.315 -32.630 22.487 1.00 1.03 ATOM 1378 HB1 CYS 87 2.369 -32.525 21.412 1.00 38.33 ATOM 1379 HB2 CYS 87 3.072 -33.331 22.807 1.00 73.12 ATOM 1380 SG CYS 87 2.727 -31.022 23.205 1.00 62.41 ATOM 1381 HG CYS 87 1.621 -30.293 23.235 1.00 72.33 ATOM 1382 C CYS 87 0.446 -34.170 21.859 1.00 44.33 ATOM 1383 O CYS 87 -0.262 -33.817 20.917 1.00 73.21 ATOM 1384 N GLY 88 0.830 -35.429 22.043 1.00 21.42 ATOM 1385 HN GLY 88 1.412 -35.668 22.798 1.00 38.33 ATOM 1386 CA GLY 88 0.421 -36.472 21.120 1.00 22.25 ATOM 1387 HA1 GLY 88 1.163 -37.256 21.142 1.00 38.33 ATOM 1388 HA2 GLY 88 0.374 -36.075 20.115 1.00 54.53 ATOM 1389 C GLY 88 -0.922 -37.074 21.484 1.00 25.31 ATOM 1390 O GLY 88 -1.424 -37.954 20.786 1.00 73.10 ATOM 1391 N ALA 89 -1.503 -36.601 22.581 1.00 11.52 ATOM 1392 HN ALA 89 -1.077 -35.909 23.101 1.00 38.33 ATOM 1393 CA ALA 89 -2.796 -37.098 23.036 1.00 4.41 ATOM 1394 HA ALA 89 -2.913 -38.126 22.711 1.00 75.24 ATOM 1395 CB ALA 89 -2.859 -37.089 24.556 1.00 21.53 ATOM 1396 HB1 ALA 89 -2.347 -37.958 24.934 1.00 25.35 ATOM 1397 HB2 ALA 89 -3.890 -37.122 24.887 1.00 21.24 ATOM 1398 HB3 ALA 89 -2.392 -36.203 24.944 1.00 4.44 ATOM 1399 C ALA 89 -3.937 -36.272 22.453 1.00 75.32 ATOM 1400 O ALA 89 -4.725 -36.767 21.646 1.00 21.24 ATOM 1401 N SER 90 -4.022 -35.012 22.866 1.00 2.13 ATOM 1402 HN SER 90 -3.346 -34.659 23.493 1.00 38.33 ATOM 1403 CA SER 90 -5.071 -34.119 22.388 1.00 42.01 ATOM 1404 HA SER 90 -6.001 -34.674 22.340 1.00 55.15 ATOM 1405 CB SER 90 -5.253 -32.948 23.355 1.00 50.41 ATOM 1406 HB1 SER 90 -4.352 -32.349 23.377 1.00 38.33 ATOM 1407 HB2 SER 90 -5.450 -33.333 24.345 1.00 41.04 ATOM 1408 OG SER 90 -6.342 -32.129 22.964 1.00 5.54 ATOM 1409 HG SER 90 -6.058 -31.519 22.278 1.00 21.42 ATOM 1410 C SER 90 -4.744 -33.595 20.993 1.00 62.33 ATOM 1411 O SER 90 -5.530 -33.752 20.058 1.00 72.13 ATOM 1412 N LEU 91 -3.578 -32.972 20.860 1.00 71.21 ATOM 1413 HN LEU 91 -2.986 -32.887 21.646 1.00 38.33 ATOM 1414 CA LEU 91 -3.145 -32.424 19.579 1.00 21.31 ATOM 1415 HA LEU 91 -3.974 -31.877 19.144 1.00 43.41 ATOM 1416 CB LEU 91 -1.968 -31.469 19.783 1.00 41.23 ATOM 1417 HB1 LEU 91 -1.322 -31.530 18.917 1.00 38.33 ATOM 1418 HB2 LEU 91 -1.405 -31.813 20.638 1.00 74.33 ATOM 1419 CG LEU 91 -2.327 -30.000 20.008 1.00 52.32 ATOM 1420 HG LEU 91 -3.233 -29.936 20.597 1.00 73.12 ATOM 1421 CD1 LEU 91 -1.225 -29.293 20.781 1.00 20.04 ATOM 1422 HD11 LEU 91 -0.343 -29.201 20.171 1.00 32.31 ATOM 1423 HD12 LEU 91 -0.987 -29.852 21.676 1.00 33.15 ATOM 1424 HD13 LEU 91 -1.566 -28.307 21.061 1.00 60.32 ATOM 1425 CD2 LEU 91 -2.580 -29.303 18.679 1.00 43.32 ATOM 1426 HD21 LEU 91 -2.718 -28.241 18.835 1.00 21.33 ATOM 1427 HD22 LEU 91 -3.469 -29.715 18.224 1.00 64.22 ATOM 1428 HD23 LEU 91 -1.739 -29.468 18.027 1.00 2.24 ATOM 1429 C LEU 91 -2.749 -33.539 18.616 1.00 51.10 ATOM 1430 O LEU 91 -2.921 -33.415 17.403 1.00 35.03 ATOM 1431 N ARG 92 -2.220 -34.628 19.164 1.00 1.44 ATOM 1432 HN ARG 92 -2.083 -34.679 20.135 1.00 38.33 ATOM 1433 CA ARG 92 -1.801 -35.765 18.354 1.00 42.31 ATOM 1434 HA ARG 92 -1.348 -36.487 18.990 1.00 1.22 ATOM 1435 CB ARG 92 -3.010 -36.401 17.666 1.00 61.02 ATOM 1436 HB1 ARG 92 -2.661 -37.204 17.026 1.00 38.33 ATOM 1437 HB2 ARG 92 -3.508 -35.665 17.056 1.00 30.34 ATOM 1438 CG ARG 92 -4.025 -36.985 18.635 1.00 41.41 ATOM 1439 HG1 ARG 92 -4.457 -36.180 19.211 1.00 38.33 ATOM 1440 HG2 ARG 92 -3.525 -37.672 19.299 1.00 35.35 ATOM 1441 CD ARG 92 -5.138 -37.716 17.902 1.00 72.51 ATOM 1442 HD1 ARG 92 -4.715 -38.336 17.120 1.00 38.33 ATOM 1443 HD2 ARG 92 -5.791 -36.981 17.455 1.00 64.32 ATOM 1444 NE ARG 92 -5.928 -38.553 18.801 1.00 13.24 ATOM 1445 HE ARG 92 -6.834 -38.246 19.022 1.00 62.50 ATOM 1446 CZ ARG 92 -5.486 -39.691 19.325 1.00 10.31 ATOM 1447 NH1 ARG 92 -4.266 -40.125 19.041 1.00 71.24 ATOM 1448 HH11 ARG 92 -3.657 -39.626 18.433 1.00 30.20 ATOM 1449 HH12 ARG 92 -3.942 -40.982 19.449 1.00 11.23 ATOM 1450 NH2 ARG 92 -6.265 -40.396 20.136 1.00 65.24 ATOM 1451 HH21 ARG 92 -7.188 -40.072 20.355 1.00 3.35 ATOM 1452 HH22 ARG 92 -5.934 -41.255 20.532 1.00 61.30 ATOM 1453 C ARG 92 -0.773 -35.339 17.309 1.00 15.52 ATOM 1454 O ARG 92 -0.656 -35.956 16.250 1.00 73.11 ATOM 1455 N LEU 93 -0.032 -34.279 17.614 1.00 21.42 ATOM 1456 HN LEU 93 -0.145 -33.850 18.485 1.00 38.33 ATOM 1457 CA LEU 93 0.986 -33.770 16.702 1.00 52.42 ATOM 1458 HA LEU 93 0.555 -33.703 15.711 1.00 74.54 ATOM 1459 CB LEU 93 1.432 -32.372 17.134 1.00 50.43 ATOM 1460 HB1 LEU 93 0.575 -31.724 17.002 1.00 38.33 ATOM 1461 HB2 LEU 93 2.205 -32.023 16.460 1.00 54.11 ATOM 1462 CG LEU 93 1.917 -32.238 18.578 1.00 72.13 ATOM 1463 HG LEU 93 1.470 -32.998 19.198 1.00 14.43 ATOM 1464 CD1 LEU 93 3.424 -32.428 18.655 1.00 74.53 ATOM 1465 HD11 LEU 93 3.644 -33.475 18.572 1.00 71.15 ATOM 1466 HD12 LEU 93 3.795 -32.069 19.608 1.00 44.12 ATOM 1467 HD13 LEU 93 3.915 -31.889 17.855 1.00 42.42 ATOM 1468 CD2 LEU 93 1.518 -30.886 19.151 1.00 22.13 ATOM 1469 HD21 LEU 93 1.681 -30.882 20.216 1.00 50.42 ATOM 1470 HD22 LEU 93 0.484 -30.693 18.948 1.00 60.15 ATOM 1471 HD23 LEU 93 2.115 -30.106 18.697 1.00 71.44 ATOM 1472 C LEU 93 2.189 -34.706 16.649 1.00 34.14 ATOM 1473 O LEU 93 2.213 -35.737 17.320 1.00 23.42 ATOM 1474 N GLU 94 3.185 -34.338 15.849 1.00 15.05 ATOM 1475 HN GLU 94 3.081 -33.526 15.313 1.00 38.33 ATOM 1476 CA GLU 94 4.391 -35.145 15.712 1.00 71.35 ATOM 1477 HA GLU 94 4.088 -36.175 15.553 1.00 75.30 ATOM 1478 CB GLU 94 5.201 -34.689 14.496 1.00 13.22 ATOM 1479 HB1 GLU 94 4.642 -34.927 13.603 1.00 38.33 ATOM 1480 HB2 GLU 94 6.141 -35.229 14.471 1.00 2.41 ATOM 1481 CG GLU 94 5.493 -33.198 14.485 1.00 41.22 ATOM 1482 HG1 GLU 94 5.939 -32.910 15.422 1.00 38.33 ATOM 1483 HG2 GLU 94 4.571 -32.660 14.348 1.00 5.33 ATOM 1484 CD GLU 94 6.442 -32.798 13.372 1.00 4.10 ATOM 1485 OE1 GLU 94 6.025 -32.026 12.484 1.00 74.44 ATOM 1486 OE2 GLU 94 7.604 -33.257 13.390 1.00 12.23 ATOM 1487 C GLU 94 5.250 -35.060 16.970 1.00 52.30 ATOM 1488 O GLU 94 5.566 -33.969 17.447 1.00 30.45 ATOM 1489 N THR 95 5.624 -36.218 17.504 1.00 63.32 ATOM 1490 HN THR 95 5.350 -37.064 17.081 1.00 38.33 ATOM 1491 CA THR 95 6.445 -36.276 18.707 1.00 15.31 ATOM 1492 HA THR 95 6.557 -35.278 19.118 1.00 63.52 ATOM 1493 CB THR 95 5.794 -37.159 19.788 1.00 24.45 ATOM 1494 HB THR 95 6.435 -37.214 20.648 1.00 42.55 ATOM 1495 OG1 THR 95 5.597 -38.485 19.284 1.00 25.25 ATOM 1496 HG1 THR 95 5.557 -39.108 20.015 1.00 62.44 ATOM 1497 CG2 THR 95 4.461 -36.577 20.234 1.00 63.35 ATOM 1498 HG21 THR 95 4.615 -35.589 20.643 1.00 31.21 ATOM 1499 HG22 THR 95 4.027 -37.214 20.991 1.00 73.20 ATOM 1500 HG23 THR 95 3.790 -36.517 19.389 1.00 35.13 ATOM 1501 C THR 95 7.837 -36.813 18.398 1.00 3.40 ATOM 1502 O THR 95 8.169 -37.077 17.242 1.00 5.43 ATOM 1503 N PHE 96 8.649 -36.973 19.438 1.00 11.31 ATOM 1504 HN PHE 96 8.356 -36.714 20.323 1.00 38.33 ATOM 1505 CA PHE 96 10.007 -37.478 19.277 1.00 22.41 ATOM 1506 HA PHE 96 10.068 -38.045 18.356 1.00 20.25 ATOM 1507 CB PHE 96 11.001 -36.317 19.204 1.00 60.32 ATOM 1508 HB1 PHE 96 10.704 -35.658 18.398 1.00 38.33 ATOM 1509 HB2 PHE 96 11.987 -36.705 18.983 1.00 1.21 ATOM 1510 CG PHE 96 11.073 -35.509 20.468 1.00 64.50 ATOM 1511 CD1 PHE 96 10.156 -34.501 20.714 1.00 2.45 ATOM 1512 HD1 PHE 96 9.380 -34.318 19.995 1.00 73.05 ATOM 1513 CD2 PHE 96 12.058 -35.759 21.410 1.00 22.30 ATOM 1514 HD2 PHE 96 12.780 -36.534 21.226 1.00 70.20 ATOM 1515 CE1 PHE 96 10.221 -33.755 21.877 1.00 62.34 ATOM 1516 HE1 PHE 96 9.500 -32.971 22.057 1.00 21.13 ATOM 1517 CE2 PHE 96 12.128 -35.018 22.574 1.00 11.53 ATOM 1518 HE2 PHE 96 12.887 -35.230 23.302 1.00 23.44 ATOM 1519 CZ PHE 96 11.207 -34.015 22.808 1.00 4.12 ATOM 1520 HZ PHE 96 11.260 -33.434 23.717 1.00 44.23 ATOM 1521 C PHE 96 10.380 -38.410 20.426 1.00 24.24 ATOM 1522 O PHE 96 9.589 -38.631 21.343 1.00 12.41 ATOM 1523 N ASP 97 11.591 -38.955 20.369 1.00 13.32 ATOM 1524 HN ASP 97 12.186 -38.745 19.611 1.00 38.33 ATOM 1525 CA ASP 97 12.070 -39.863 21.405 1.00 44.43 ATOM 1526 HA ASP 97 11.204 -40.347 21.849 1.00 62.10 ATOM 1527 CB ASP 97 12.972 -40.936 20.794 1.00 61.43 ATOM 1528 HB1 ASP 97 13.964 -40.535 20.626 1.00 38.33 ATOM 1529 HB2 ASP 97 12.556 -41.248 19.846 1.00 23.14 ATOM 1530 CG ASP 97 13.091 -42.163 21.676 1.00 20.33 ATOM 1531 OD1 ASP 97 13.844 -43.088 21.307 1.00 23.24 ATOM 1532 OD2 ASP 97 12.430 -42.199 22.736 1.00 61.04 ATOM 1533 C ASP 97 12.828 -39.100 22.487 1.00 31.44 ATOM 1534 O ASP 97 13.778 -38.374 22.199 1.00 3.32 ATOM 1535 N ALA 98 12.400 -39.271 23.734 1.00 55.01 ATOM 1536 HN ALA 98 11.629 -39.864 23.904 1.00 38.33 ATOM 1537 CA ALA 98 13.038 -38.600 24.860 1.00 72.14 ATOM 1538 HA ALA 98 12.852 -37.544 24.764 1.00 72.04 ATOM 1539 CB ALA 98 12.429 -39.075 26.171 1.00 41.42 ATOM 1540 HB1 ALA 98 12.879 -38.541 26.997 1.00 5.03 ATOM 1541 HB2 ALA 98 12.603 -40.135 26.290 1.00 23.44 ATOM 1542 HB3 ALA 98 11.366 -38.886 26.160 1.00 45.42 ATOM 1543 C ALA 98 14.544 -38.837 24.857 1.00 2.42 ATOM 1544 O ALA 98 15.319 -37.965 25.249 1.00 22.31 ATOM 1545 N ASN 99 14.952 -40.021 24.414 1.00 71.33 ATOM 1546 HN ASN 99 14.285 -40.680 24.120 1.00 38.33 ATOM 1547 CA ASN 99 16.366 -40.373 24.362 1.00 44.42 ATOM 1548 HA ASN 99 16.765 -40.312 25.366 1.00 65.21 ATOM 1549 CB ASN 99 16.539 -41.804 23.849 1.00 44.32 ATOM 1550 HB1 ASN 99 17.564 -42.112 23.998 1.00 38.33 ATOM 1551 HB2 ASN 99 16.307 -41.839 22.792 1.00 42.33 ATOM 1552 CG ASN 99 15.628 -42.786 24.558 1.00 31.32 ATOM 1553 OD1 ASN 99 14.520 -43.064 24.100 1.00 74.32 ATOM 1554 ND2 ASN 99 16.092 -43.317 25.683 1.00 20.34 ATOM 1555 HD21 ASN 99 16.986 -43.058 26.002 1.00 60.32 ATOM 1556 HD22 ASN 99 15.518 -43.955 26.157 1.00 33.21 ATOM 1557 C ASN 99 17.135 -39.404 23.469 1.00 41.25 ATOM 1558 O ASN 99 18.194 -38.901 23.847 1.00 75.23 ATOM 1559 N ASP 100 16.595 -39.146 22.283 1.00 61.15 ATOM 1560 HN ASP 100 15.748 -39.587 22.031 1.00 38.33 ATOM 1561 CA ASP 100 17.229 -38.236 21.335 1.00 33.13 ATOM 1562 HA ASP 100 18.184 -38.659 21.052 1.00 1.04 ATOM 1563 CB ASP 100 16.361 -38.081 20.086 1.00 55.03 ATOM 1564 HB1 ASP 100 16.785 -37.324 19.445 1.00 38.33 ATOM 1565 HB2 ASP 100 15.369 -37.775 20.383 1.00 74.55 ATOM 1566 CG ASP 100 16.244 -39.371 19.298 1.00 41.02 ATOM 1567 OD1 ASP 100 17.116 -40.249 19.465 1.00 3.41 ATOM 1568 OD2 ASP 100 15.281 -39.503 18.513 1.00 1.43 ATOM 1569 C ASP 100 17.473 -36.872 21.973 1.00 51.23 ATOM 1570 O ASP 100 18.378 -36.140 21.571 1.00 43.15 ATOM 1571 N LEU 101 16.660 -36.535 22.968 1.00 74.43 ATOM 1572 HN LEU 101 15.921 -37.126 23.223 1.00 38.33 ATOM 1573 CA LEU 101 16.786 -35.258 23.661 1.00 63.02 ATOM 1574 HA LEU 101 17.149 -34.522 22.960 1.00 24.44 ATOM 1575 CB LEU 101 15.425 -34.807 24.193 1.00 51.34 ATOM 1576 HB1 LEU 101 14.993 -35.629 24.742 1.00 38.33 ATOM 1577 HB2 LEU 101 14.796 -34.598 23.353 1.00 34.25 ATOM 1578 CG LEU 101 15.434 -33.581 25.106 1.00 0.51 ATOM 1579 HG LEU 101 16.004 -33.799 25.997 1.00 61.41 ATOM 1580 CD1 LEU 101 16.088 -32.399 24.407 1.00 24.01 ATOM 1581 HD11 LEU 101 16.393 -32.646 23.406 1.00 11.32 ATOM 1582 HD12 LEU 101 16.958 -32.098 24.968 1.00 14.42 ATOM 1583 HD13 LEU 101 15.405 -31.573 24.362 1.00 52.04 ATOM 1584 CD2 LEU 101 14.019 -33.229 25.540 1.00 13.54 ATOM 1585 HD21 LEU 101 14.062 -32.539 26.353 1.00 15.41 ATOM 1586 HD22 LEU 101 13.498 -34.116 25.860 1.00 31.02 ATOM 1587 HD23 LEU 101 13.478 -32.782 24.722 1.00 24.11 ATOM 1588 C LEU 101 17.786 -35.358 24.809 1.00 73.12 ATOM 1589 O LEU 101 18.705 -34.546 24.918 1.00 71.34 ATOM 1590 N TYR 102 17.601 -36.360 25.661 1.00 13.34 ATOM 1591 HN TYR 102 16.845 -36.978 25.521 1.00 38.33 ATOM 1592 CA TYR 102 18.486 -36.566 26.802 1.00 72.24 ATOM 1593 HA TYR 102 18.381 -35.706 27.445 1.00 42.12 ATOM 1594 CB TYR 102 18.092 -37.837 27.556 1.00 20.11 ATOM 1595 HB1 TYR 102 18.535 -38.705 27.079 1.00 38.33 ATOM 1596 HB2 TYR 102 17.021 -37.928 27.512 1.00 22.20 ATOM 1597 CG TYR 102 18.489 -37.823 29.015 1.00 44.01 ATOM 1598 CD1 TYR 102 18.151 -36.755 29.837 1.00 44.23 ATOM 1599 HD1 TYR 102 17.590 -35.928 29.426 1.00 71.53 ATOM 1600 CD2 TYR 102 19.204 -38.877 29.571 1.00 14.11 ATOM 1601 HD2 TYR 102 19.477 -39.718 28.948 1.00 5.02 ATOM 1602 CE1 TYR 102 18.513 -36.737 31.170 1.00 12.00 ATOM 1603 HE1 TYR 102 18.240 -35.898 31.792 1.00 12.23 ATOM 1604 CE2 TYR 102 19.568 -38.868 30.904 1.00 71.44 ATOM 1605 HE2 TYR 102 20.135 -39.681 31.301 1.00 75.43 ATOM 1606 CZ TYR 102 19.221 -37.796 31.699 1.00 75.22 ATOM 1607 OH TYR 102 19.583 -37.783 33.026 1.00 31.33 ATOM 1608 HH TYR 102 20.527 -37.617 33.106 1.00 73.24 ATOM 1609 C TYR 102 19.941 -36.658 26.352 1.00 32.40 ATOM 1610 O TYR 102 20.792 -35.898 26.811 1.00 43.51 ATOM 1611 N GLN 103 20.217 -37.596 25.451 1.00 14.20 ATOM 1612 HN GLN 103 19.488 -38.169 25.110 1.00 38.33 ATOM 1613 CA GLN 103 21.568 -37.788 24.939 1.00 61.22 ATOM 1614 HA GLN 103 22.267 -37.672 25.759 1.00 60.34 ATOM 1615 CB GLN 103 21.723 -39.198 24.365 1.00 0.14 ATOM 1616 HB1 GLN 103 22.726 -39.317 23.973 1.00 38.33 ATOM 1617 HB2 GLN 103 21.018 -39.317 23.552 1.00 2.45 ATOM 1618 CG GLN 103 21.452 -40.299 25.377 1.00 32.43 ATOM 1619 HG1 GLN 103 21.115 -41.174 24.839 1.00 38.33 ATOM 1620 HG2 GLN 103 20.672 -39.987 26.059 1.00 12.22 ATOM 1621 CD GLN 103 22.686 -40.680 26.171 1.00 63.15 ATOM 1622 OE1 GLN 103 23.786 -40.773 25.623 1.00 35.45 ATOM 1623 NE2 GLN 103 22.511 -40.902 27.468 1.00 64.20 ATOM 1624 HE21 GLN 103 21.610 -40.813 27.854 1.00 73.30 ATOM 1625 HE22 GLN 103 23.298 -41.149 27.997 1.00 11.54 ATOM 1626 C GLN 103 21.897 -36.752 23.869 1.00 25.30 ATOM 1627 O GLN 103 23.064 -36.519 23.555 1.00 72.03 ATOM 1628 N GLY 104 20.861 -36.133 23.312 1.00 33.51 ATOM 1629 HN GLY 104 19.947 -36.368 23.561 1.00 38.33 ATOM 1630 CA GLY 104 21.061 -35.130 22.283 1.00 60.10 ATOM 1631 HA1 GLY 104 21.782 -34.401 22.631 1.00 38.33 ATOM 1632 HA2 GLY 104 20.127 -34.624 22.099 1.00 35.24 ATOM 1633 C GLY 104 21.563 -35.726 20.983 1.00 42.54 ATOM 1634 O GLY 104 22.402 -35.133 20.305 1.00 2.21 ATOM 1635 N GLN 105 21.050 -36.901 20.635 1.00 71.13 ATOM 1636 HN GLN 105 20.359 -37.319 21.201 1.00 38.33 ATOM 1637 CA GLN 105 21.454 -37.578 19.408 1.00 51.42 ATOM 1638 HA GLN 105 22.518 -37.427 19.265 1.00 44.14 ATOM 1639 CB GLN 105 21.186 -39.080 19.517 1.00 40.33 ATOM 1640 HB1 GLN 105 21.433 -39.555 18.576 1.00 38.33 ATOM 1641 HB2 GLN 105 20.131 -39.225 19.709 1.00 15.43 ATOM 1642 CG GLN 105 21.958 -39.756 20.638 1.00 11.45 ATOM 1643 HG1 GLN 105 21.378 -40.597 20.990 1.00 38.33 ATOM 1644 HG2 GLN 105 22.106 -39.064 21.456 1.00 53.33 ATOM 1645 CD GLN 105 23.311 -40.269 20.189 1.00 45.13 ATOM 1646 OE1 GLN 105 24.348 -39.869 20.720 1.00 51.44 ATOM 1647 NE2 GLN 105 23.310 -41.161 19.205 1.00 53.32 ATOM 1648 HE21 GLN 105 22.453 -41.449 18.817 1.00 72.53 ATOM 1649 HE22 GLN 105 24.177 -41.502 18.900 1.00 44.42 ATOM 1650 C GLN 105 20.717 -37.004 18.202 1.00 43.21 ATOM 1651 O GLN 105 21.296 -36.842 17.129 1.00 41.54 ATOM 1652 N ASN 106 19.437 -36.699 18.387 1.00 50.11 ATOM 1653 HN ASN 106 19.010 -36.869 19.258 1.00 38.33 ATOM 1654 CA ASN 106 18.621 -36.144 17.313 1.00 13.13 ATOM 1655 HA ASN 106 19.266 -35.826 16.502 1.00 21.23 ATOM 1656 CB ASN 106 17.634 -37.194 16.800 1.00 70.35 ATOM 1657 HB1 ASN 106 16.734 -36.725 16.445 1.00 38.33 ATOM 1658 HB2 ASN 106 17.391 -37.868 17.584 1.00 61.13 ATOM 1659 CG ASN 106 18.204 -38.013 15.657 1.00 31.24 ATOM 1660 OD1 ASN 106 19.265 -37.696 15.121 1.00 44.13 ATOM 1661 ND2 ASN 106 17.499 -39.073 15.280 1.00 32.54 ATOM 1662 HD21 ASN 106 16.665 -39.285 15.748 1.00 1.54 ATOM 1663 HD22 ASN 106 17.847 -39.609 14.537 1.00 55.02 ATOM 1664 C ASN 106 17.863 -34.908 17.789 1.00 21.13 ATOM 1665 O ASN 106 16.665 -34.970 18.068 1.00 44.12 ATOM 1666 N PHE 107 18.569 -33.786 17.880 1.00 64.14 ATOM 1667 HN PHE 107 19.526 -33.798 17.637 1.00 38.33 ATOM 1668 CA PHE 107 17.964 -32.535 18.322 1.00 23.31 ATOM 1669 HA PHE 107 17.477 -32.720 19.271 1.00 2.33 ATOM 1670 CB PHE 107 19.039 -31.463 18.510 1.00 2.32 ATOM 1671 HB1 PHE 107 19.456 -31.199 17.544 1.00 38.33 ATOM 1672 HB2 PHE 107 19.826 -31.870 19.130 1.00 22.55 ATOM 1673 CG PHE 107 18.533 -30.217 19.180 1.00 74.41 ATOM 1674 CD1 PHE 107 17.888 -30.287 20.405 1.00 45.43 ATOM 1675 HD1 PHE 107 17.751 -31.247 20.884 1.00 4.24 ATOM 1676 CD2 PHE 107 18.700 -28.978 18.584 1.00 10.43 ATOM 1677 HD2 PHE 107 19.201 -28.907 17.628 1.00 22.33 ATOM 1678 CE1 PHE 107 17.421 -29.142 21.024 1.00 64.51 ATOM 1679 HE1 PHE 107 16.920 -29.210 21.978 1.00 35.02 ATOM 1680 CE2 PHE 107 18.235 -27.830 19.199 1.00 64.10 ATOM 1681 HE2 PHE 107 18.364 -26.874 18.720 1.00 14.13 ATOM 1682 CZ PHE 107 17.594 -27.913 20.420 1.00 43.24 ATOM 1683 HZ PHE 107 17.223 -27.026 20.887 1.00 52.31 ATOM 1684 C PHE 107 16.918 -32.053 17.321 1.00 24.21 ATOM 1685 O PHE 107 15.986 -31.335 17.679 1.00 33.43 ATOM 1686 N ASN 108 17.082 -32.453 16.064 1.00 22.23 ATOM 1687 HN ASN 108 17.870 -32.990 15.822 1.00 38.33 ATOM 1688 CA ASN 108 16.153 -32.061 15.010 1.00 25.53 ATOM 1689 HA ASN 108 16.219 -30.989 14.887 1.00 53.35 ATOM 1690 CB ASN 108 16.534 -32.735 13.690 1.00 2.32 ATOM 1691 HB1 ASN 108 17.516 -32.392 13.398 1.00 38.33 ATOM 1692 HB2 ASN 108 15.824 -32.455 12.922 1.00 22.43 ATOM 1693 CG ASN 108 16.576 -34.246 13.803 1.00 32.40 ATOM 1694 OD1 ASN 108 17.516 -34.813 14.361 1.00 51.31 ATOM 1695 ND2 ASN 108 15.554 -34.908 13.272 1.00 51.50 ATOM 1696 HD21 ASN 108 14.829 -34.404 12.838 1.00 22.41 ATOM 1697 HD22 ASN 108 15.563 -35.886 13.335 1.00 11.33 ATOM 1698 C ASN 108 14.720 -32.426 15.385 1.00 22.01 ATOM 1699 O ASN 108 13.791 -31.652 15.157 1.00 54.41 ATOM 1700 N LYS 109 14.549 -33.610 15.962 1.00 35.44 ATOM 1701 HN LYS 109 15.336 -34.155 16.179 1.00 38.33 ATOM 1702 CA LYS 109 13.230 -34.079 16.372 1.00 53.35 ATOM 1703 HA LYS 109 12.545 -33.935 15.546 1.00 10.10 ATOM 1704 CB LYS 109 13.278 -35.570 16.712 1.00 43.10 ATOM 1705 HB1 LYS 109 12.265 -35.939 16.782 1.00 38.33 ATOM 1706 HB2 LYS 109 13.769 -35.702 17.670 1.00 63.25 ATOM 1707 CG LYS 109 14.021 -36.405 15.683 1.00 11.21 ATOM 1708 HG1 LYS 109 15.035 -36.063 15.614 1.00 38.33 ATOM 1709 HG2 LYS 109 13.544 -36.279 14.720 1.00 42.41 ATOM 1710 CD LYS 109 14.032 -37.876 16.062 1.00 61.21 ATOM 1711 HD1 LYS 109 14.002 -37.978 17.138 1.00 38.33 ATOM 1712 HD2 LYS 109 14.937 -38.314 15.686 1.00 14.43 ATOM 1713 CE LYS 109 12.851 -38.617 15.454 1.00 31.23 ATOM 1714 HE1 LYS 109 13.139 -38.987 14.481 1.00 38.33 ATOM 1715 HE2 LYS 109 12.010 -37.942 15.347 1.00 30.03 ATOM 1716 NZ LYS 109 12.424 -39.768 16.298 1.00 1.52 ATOM 1717 HZ1 LYS 109 12.137 -39.437 17.243 1.00 42.04 ATOM 1718 HZ2 LYS 109 13.204 -40.450 16.403 1.00 21.40 ATOM 1719 HZ3 LYS 109 11.617 -40.252 15.855 1.00 25.15 ATOM 1720 C LYS 109 12.720 -33.289 17.573 1.00 42.43 ATOM 1721 O LYS 109 11.546 -32.924 17.636 1.00 42.43 ATOM 1722 N VAL 110 13.611 -33.026 18.524 1.00 60.31 ATOM 1723 HN VAL 110 14.541 -33.311 18.394 1.00 38.33 ATOM 1724 CA VAL 110 13.252 -32.277 19.722 1.00 30.00 ATOM 1725 HA VAL 110 12.424 -32.788 20.201 1.00 1.33 ATOM 1726 CB VAL 110 14.425 -32.215 20.718 1.00 44.33 ATOM 1727 HB VAL 110 15.204 -31.589 20.301 1.00 31.00 ATOM 1728 CG1 VAL 110 13.977 -31.599 22.034 1.00 13.02 ATOM 1729 HG11 VAL 110 13.606 -32.363 22.697 1.00 14.51 ATOM 1730 HG12 VAL 110 13.204 -30.862 21.884 1.00 22.32 ATOM 1731 HG13 VAL 110 14.821 -31.116 22.482 1.00 63.03 ATOM 1732 CG2 VAL 110 15.009 -33.602 20.940 1.00 43.31 ATOM 1733 HG21 VAL 110 14.247 -34.274 21.260 1.00 21.14 ATOM 1734 HG22 VAL 110 15.776 -33.553 21.688 1.00 23.12 ATOM 1735 HG23 VAL 110 15.446 -33.968 20.027 1.00 60.15 ATOM 1736 C VAL 110 12.820 -30.857 19.373 1.00 33.33 ATOM 1737 O VAL 110 11.869 -30.327 19.950 1.00 43.52 ATOM 1738 N LEU 111 13.523 -30.247 18.426 1.00 53.31 ATOM 1739 HN LEU 111 14.277 -30.718 18.001 1.00 38.33 ATOM 1740 CA LEU 111 13.212 -28.887 17.999 1.00 53.04 ATOM 1741 HA LEU 111 13.149 -28.265 18.884 1.00 14.42 ATOM 1742 CB LEU 111 14.317 -28.353 17.086 1.00 2.44 ATOM 1743 HB1 LEU 111 14.066 -28.602 16.060 1.00 38.33 ATOM 1744 HB2 LEU 111 15.240 -28.868 17.330 1.00 14.51 ATOM 1745 CG LEU 111 14.583 -26.849 17.164 1.00 0.21 ATOM 1746 HG LEU 111 13.644 -26.319 17.087 1.00 23.12 ATOM 1747 CD1 LEU 111 15.218 -26.487 18.498 1.00 64.24 ATOM 1748 HD11 LEU 111 16.250 -26.228 18.368 1.00 33.41 ATOM 1749 HD12 LEU 111 15.153 -27.320 19.188 1.00 13.53 ATOM 1750 HD13 LEU 111 14.690 -25.651 18.921 1.00 63.41 ATOM 1751 CD2 LEU 111 15.470 -26.404 16.010 1.00 1.35 ATOM 1752 HD21 LEU 111 15.635 -25.349 16.063 1.00 45.42 ATOM 1753 HD22 LEU 111 14.988 -26.639 15.072 1.00 1.01 ATOM 1754 HD23 LEU 111 16.420 -26.919 16.062 1.00 24.33 ATOM 1755 C LEU 111 11.870 -28.837 17.274 1.00 64.30 ATOM 1756 O LEU 111 11.004 -28.029 17.606 1.00 14.03 ATOM 1757 N SER 112 11.706 -29.708 16.284 1.00 60.54 ATOM 1758 HN SER 112 12.440 -30.330 16.063 1.00 38.33 ATOM 1759 CA SER 112 10.471 -29.763 15.511 1.00 73.03 ATOM 1760 HA SER 112 10.383 -28.839 14.957 1.00 60.03 ATOM 1761 CB SER 112 10.513 -30.931 14.523 1.00 1.14 ATOM 1762 HB1 SER 112 9.617 -30.925 13.917 1.00 38.33 ATOM 1763 HB2 SER 112 10.572 -31.863 15.067 1.00 2.35 ATOM 1764 OG SER 112 11.640 -30.836 13.670 1.00 62.34 ATOM 1765 HG SER 112 11.459 -30.211 12.963 1.00 33.22 ATOM 1766 C SER 112 9.261 -29.903 16.429 1.00 13.35 ATOM 1767 O SER 112 8.183 -29.385 16.138 1.00 51.41 ATOM 1768 N SER 113 9.448 -30.607 17.541 1.00 10.12 ATOM 1769 HN SER 113 10.323 -31.024 17.715 1.00 38.33 ATOM 1770 CA SER 113 8.372 -30.819 18.502 1.00 32.10 ATOM 1771 HA SER 113 7.533 -31.259 17.978 1.00 43.10 ATOM 1772 CB SER 113 8.824 -31.781 19.602 1.00 70.40 ATOM 1773 HB1 SER 113 9.279 -31.236 20.421 1.00 38.33 ATOM 1774 HB2 SER 113 9.549 -32.458 19.186 1.00 2.55 ATOM 1775 OG SER 113 7.732 -32.533 20.102 1.00 20.43 ATOM 1776 HG SER 113 7.518 -33.242 19.489 1.00 33.25 ATOM 1777 C SER 113 7.926 -29.497 19.119 1.00 10.10 ATOM 1778 O SER 113 6.738 -29.172 19.128 1.00 10.40 ATOM 1779 N LEU 114 8.887 -28.738 19.634 1.00 30.24 ATOM 1780 HN LEU 114 9.822 -29.043 19.568 1.00 38.33 ATOM 1781 CA LEU 114 8.595 -27.450 20.254 1.00 23.23 ATOM 1782 HA LEU 114 7.817 -27.595 20.992 1.00 22.40 ATOM 1783 CB LEU 114 9.842 -26.904 20.953 1.00 71.31 ATOM 1784 HB1 LEU 114 9.550 -26.036 21.526 1.00 38.33 ATOM 1785 HB2 LEU 114 10.548 -26.589 20.193 1.00 3.40 ATOM 1786 CG LEU 114 10.566 -27.874 21.887 1.00 4.13 ATOM 1787 HG LEU 114 10.971 -28.684 21.314 1.00 13.42 ATOM 1788 CD1 LEU 114 11.724 -27.178 22.585 1.00 5.32 ATOM 1789 HD11 LEU 114 12.418 -26.808 21.849 1.00 20.24 ATOM 1790 HD12 LEU 114 12.228 -27.888 23.203 1.00 35.22 ATOM 1791 HD13 LEU 114 11.359 -26.359 23.188 1.00 60.44 ATOM 1792 CD2 LEU 114 9.598 -28.455 22.907 1.00 24.34 ATOM 1793 HD21 LEU 114 8.780 -28.953 22.407 1.00 21.14 ATOM 1794 HD22 LEU 114 9.210 -27.670 23.539 1.00 4.44 ATOM 1795 HD23 LEU 114 10.123 -29.169 23.503 1.00 22.44 ATOM 1796 C LEU 114 8.099 -26.447 19.218 1.00 71.10 ATOM 1797 O LEU 114 7.363 -25.515 19.543 1.00 30.32 ATOM 1798 N VAL 115 8.505 -26.645 17.968 1.00 71.51 ATOM 1799 HN VAL 115 9.104 -27.397 17.758 1.00 38.33 ATOM 1800 CA VAL 115 8.099 -25.760 16.883 1.00 71.54 ATOM 1801 HA VAL 115 8.128 -24.737 17.245 1.00 43.01 ATOM 1802 CB VAL 115 9.056 -25.871 15.681 1.00 53.33 ATOM 1803 HB VAL 115 9.012 -26.882 15.296 1.00 54.34 ATOM 1804 CG1 VAL 115 8.631 -24.921 14.571 1.00 3.42 ATOM 1805 HG11 VAL 115 9.377 -24.923 13.786 1.00 23.04 ATOM 1806 HG12 VAL 115 8.533 -23.918 14.963 1.00 3.20 ATOM 1807 HG13 VAL 115 7.687 -25.238 14.155 1.00 51.25 ATOM 1808 CG2 VAL 115 10.488 -25.593 16.113 1.00 54.01 ATOM 1809 HG21 VAL 115 10.623 -25.778 17.166 1.00 12.11 ATOM 1810 HG22 VAL 115 10.747 -24.561 15.911 1.00 41.22 ATOM 1811 HG23 VAL 115 11.153 -26.236 15.555 1.00 50.11 ATOM 1812 C VAL 115 6.681 -26.074 16.420 1.00 54.25 ATOM 1813 O VAL 115 5.915 -25.174 16.073 1.00 40.53 ATOM 1814 N THR 116 6.335 -27.357 16.416 1.00 32.54 ATOM 1815 HN THR 116 6.988 -28.040 16.696 1.00 38.33 ATOM 1816 CA THR 116 5.008 -27.791 15.995 1.00 5.24 ATOM 1817 HA THR 116 4.755 -27.275 15.075 1.00 11.33 ATOM 1818 CB THR 116 4.974 -29.305 15.716 1.00 24.35 ATOM 1819 HB THR 116 5.260 -29.831 16.617 1.00 32.53 ATOM 1820 OG1 THR 116 5.901 -29.632 14.675 1.00 71.51 ATOM 1821 HG1 THR 116 5.684 -29.163 13.858 1.00 72.13 ATOM 1822 CG2 THR 116 3.576 -29.751 15.317 1.00 51.44 ATOM 1823 HG21 THR 116 2.938 -29.781 16.188 1.00 4.01 ATOM 1824 HG22 THR 116 3.630 -30.738 14.884 1.00 35.02 ATOM 1825 HG23 THR 116 3.161 -29.067 14.588 1.00 64.00 ATOM 1826 C THR 116 3.960 -27.456 17.050 1.00 22.23 ATOM 1827 O THR 116 2.846 -27.044 16.724 1.00 1.05 ATOM 1828 N LEU 117 4.323 -27.635 18.316 1.00 70.04 ATOM 1829 HN LEU 117 5.224 -27.982 18.520 1.00 38.33 ATOM 1830 CA LEU 117 3.413 -27.351 19.420 1.00 41.00 ATOM 1831 HA LEU 117 2.542 -27.979 19.307 1.00 3.22 ATOM 1832 CB LEU 117 4.083 -27.679 20.756 1.00 74.14 ATOM 1833 HB1 LEU 117 5.078 -27.253 20.740 1.00 38.33 ATOM 1834 HB2 LEU 117 4.176 -28.755 20.826 1.00 54.31 ATOM 1835 CG LEU 117 3.367 -27.171 22.008 1.00 41.12 ATOM 1836 HG LEU 117 3.281 -26.096 21.968 1.00 72.14 ATOM 1837 CD1 LEU 117 1.962 -27.747 22.091 1.00 62.42 ATOM 1838 HD11 LEU 117 1.938 -28.743 21.679 1.00 21.24 ATOM 1839 HD12 LEU 117 1.289 -27.121 21.529 1.00 54.01 ATOM 1840 HD13 LEU 117 1.628 -27.778 23.121 1.00 4.35 ATOM 1841 CD2 LEU 117 4.164 -27.521 23.256 1.00 13.23 ATOM 1842 HD21 LEU 117 5.211 -27.320 23.098 1.00 14.53 ATOM 1843 HD22 LEU 117 4.034 -28.554 23.493 1.00 1.42 ATOM 1844 HD23 LEU 117 3.807 -26.923 24.077 1.00 12.40 ATOM 1845 C LEU 117 2.975 -25.890 19.403 1.00 44.11 ATOM 1846 O LEU 117 1.853 -25.564 19.785 1.00 13.35 ATOM 1847 N ASN 118 3.870 -25.015 18.954 1.00 14.14 ATOM 1848 HN ASN 118 4.759 -25.327 18.664 1.00 38.33 ATOM 1849 CA ASN 118 3.575 -23.588 18.886 1.00 70.25 ATOM 1850 HA ASN 118 3.030 -23.306 19.779 1.00 14.10 ATOM 1851 CB ASN 118 4.873 -22.780 18.832 1.00 61.24 ATOM 1852 HB1 ASN 118 5.515 -23.199 18.071 1.00 38.33 ATOM 1853 HB2 ASN 118 5.372 -22.842 19.786 1.00 45.31 ATOM 1854 CG ASN 118 4.632 -21.320 18.499 1.00 61.44 ATOM 1855 OD1 ASN 118 4.619 -20.933 17.330 1.00 4.32 ATOM 1856 ND2 ASN 118 4.440 -20.503 19.527 1.00 33.03 ATOM 1857 HD21 ASN 118 4.446 -20.867 20.415 1.00 53.00 ATOM 1858 HD22 ASN 118 4.298 -19.552 19.336 1.00 60.23 ATOM 1859 C ASN 118 2.713 -23.269 17.668 1.00 41.22 ATOM 1860 O ASN 118 1.805 -22.441 17.736 1.00 53.41 ATOM 1861 N LYS 119 3.004 -23.932 16.554 1.00 70.02 ATOM 1862 HN LYS 119 3.750 -24.578 16.552 1.00 38.33 ATOM 1863 CA LYS 119 2.256 -23.722 15.320 1.00 13.31 ATOM 1864 HA LYS 119 2.207 -22.655 15.130 1.00 20.45 ATOM 1865 CB LYS 119 2.960 -24.409 14.149 1.00 62.55 ATOM 1866 HB1 LYS 119 2.241 -24.610 13.362 1.00 38.33 ATOM 1867 HB2 LYS 119 3.364 -25.352 14.495 1.00 62.32 ATOM 1868 CG LYS 119 4.082 -23.584 13.544 1.00 44.50 ATOM 1869 HG1 LYS 119 4.593 -23.042 14.330 1.00 38.33 ATOM 1870 HG2 LYS 119 3.663 -22.880 12.841 1.00 20.44 ATOM 1871 CD LYS 119 5.096 -24.460 12.828 1.00 42.23 ATOM 1872 HD1 LYS 119 5.516 -25.165 13.532 1.00 38.33 ATOM 1873 HD2 LYS 119 5.882 -23.833 12.434 1.00 41.31 ATOM 1874 CE LYS 119 4.458 -25.226 11.679 1.00 41.41 ATOM 1875 HE1 LYS 119 3.678 -25.868 12.059 1.00 38.33 ATOM 1876 HE2 LYS 119 5.219 -25.833 11.211 1.00 11.42 ATOM 1877 NZ LYS 119 3.884 -24.311 10.654 1.00 42.25 ATOM 1878 HZ1 LYS 119 4.567 -23.576 10.392 1.00 2.45 ATOM 1879 HZ2 LYS 119 3.024 -23.856 11.018 1.00 64.12 ATOM 1880 HZ3 LYS 119 3.635 -24.851 9.800 1.00 54.44 ATOM 1881 C LYS 119 0.831 -24.250 15.451 1.00 32.13 ATOM 1882 O LYS 119 -0.135 -23.523 15.219 1.00 74.42 ATOM 1883 N VAL 120 0.707 -25.519 15.827 1.00 63.45 ATOM 1884 HN VAL 120 1.520 -26.051 15.979 1.00 38.33 ATOM 1885 CA VAL 120 -0.600 -26.144 15.991 1.00 22.13 ATOM 1886 HA VAL 120 -1.064 -26.213 15.016 1.00 4.55 ATOM 1887 CB VAL 120 -0.474 -27.564 16.576 1.00 43.51 ATOM 1888 HB VAL 120 -1.463 -27.954 16.720 1.00 43.24 ATOM 1889 CG1 VAL 120 0.248 -28.481 15.600 1.00 13.14 ATOM 1890 HG11 VAL 120 1.224 -28.090 15.373 1.00 55.34 ATOM 1891 HG12 VAL 120 -0.326 -28.554 14.687 1.00 52.04 ATOM 1892 HG13 VAL 120 0.348 -29.467 16.034 1.00 44.33 ATOM 1893 CG2 VAL 120 0.245 -27.525 17.916 1.00 64.41 ATOM 1894 HG21 VAL 120 -0.438 -27.162 18.669 1.00 3.31 ATOM 1895 HG22 VAL 120 1.085 -26.876 17.875 1.00 53.42 ATOM 1896 HG23 VAL 120 0.571 -28.516 18.192 1.00 53.22 ATOM 1897 C VAL 120 -1.497 -25.310 16.899 1.00 60.31 ATOM 1898 O VAL 120 -2.721 -25.318 16.759 1.00 25.22 ATOM 1899 N THR 121 -0.881 -24.590 17.831 1.00 42.52 ATOM 1900 HN THR 121 0.095 -24.645 17.935 1.00 38.33 ATOM 1901 CA THR 121 -1.623 -23.750 18.763 1.00 70.03 ATOM 1902 HA THR 121 -2.602 -24.177 18.909 1.00 42.51 ATOM 1903 CB THR 121 -0.922 -23.675 20.132 1.00 21.12 ATOM 1904 HB THR 121 -1.399 -22.917 20.734 1.00 24.32 ATOM 1905 OG1 THR 121 0.458 -23.334 19.958 1.00 12.32 ATOM 1906 HG1 THR 121 0.542 -22.385 19.833 1.00 63.33 ATOM 1907 CG2 THR 121 -1.032 -25.001 20.870 1.00 54.21 ATOM 1908 HG21 THR 121 -2.054 -25.356 20.831 1.00 24.21 ATOM 1909 HG22 THR 121 -0.756 -24.867 21.895 1.00 14.33 ATOM 1910 HG23 THR 121 -0.388 -25.730 20.412 1.00 14.45 ATOM 1911 C THR 121 -1.794 -22.338 18.214 1.00 32.12 ATOM 1912 O THR 121 -2.733 -21.630 18.579 1.00 64.15 ATOM 1913 N ALA 122 -0.882 -21.935 17.336 1.00 40.21 ATOM 1914 HN ALA 122 -0.129 -22.516 17.118 1.00 38.33 ATOM 1915 CA ALA 122 -0.934 -20.608 16.735 1.00 12.21 ATOM 1916 HA ALA 122 -0.942 -19.875 17.532 1.00 42.12 ATOM 1917 CB ALA 122 0.306 -20.363 15.888 1.00 55.03 ATOM 1918 HB1 ALA 122 1.181 -20.376 16.519 1.00 30.31 ATOM 1919 HB2 ALA 122 0.231 -19.413 15.404 1.00 52.22 ATOM 1920 HB3 ALA 122 0.392 -21.137 15.142 1.00 4.30 ATOM 1921 C ALA 122 -2.195 -20.435 15.894 1.00 24.13 ATOM 1922 O ALA 122 -2.828 -19.379 15.917 1.00 22.53 ATOM 1923 N ASP 123 -2.553 -21.477 15.153 1.00 62.43 ATOM 1924 HN ASP 123 -2.001 -22.294 15.164 1.00 38.33 ATOM 1925 CA ASP 123 -3.738 -21.441 14.304 1.00 13.23 ATOM 1926 HA ASP 123 -3.630 -20.606 13.621 1.00 72.44 ATOM 1927 CB ASP 123 -3.855 -22.736 13.499 1.00 52.32 ATOM 1928 HB1 ASP 123 -4.232 -23.531 14.131 1.00 38.33 ATOM 1929 HB2 ASP 123 -2.875 -23.013 13.135 1.00 32.15 ATOM 1930 CG ASP 123 -4.773 -22.591 12.301 1.00 63.34 ATOM 1931 OD1 ASP 123 -5.647 -23.463 12.114 1.00 34.21 ATOM 1932 OD2 ASP 123 -4.617 -21.606 11.550 1.00 42.12 ATOM 1933 C ASP 123 -4.998 -21.231 15.139 1.00 23.23 ATOM 1934 O ASP 123 -5.996 -20.699 14.652 1.00 63.21 ATOM 1935 N ILE 124 -4.944 -21.653 16.398 1.00 71.41 ATOM 1936 HN ILE 124 -4.125 -22.073 16.734 1.00 38.33 ATOM 1937 CA ILE 124 -6.080 -21.512 17.300 1.00 53.32 ATOM 1938 HA ILE 124 -6.930 -22.013 16.851 1.00 72.40 ATOM 1939 CB ILE 124 -5.799 -22.165 18.666 1.00 15.41 ATOM 1940 HB ILE 124 -4.983 -21.643 19.136 1.00 3.21 ATOM 1941 CG1 ILE 124 -5.418 -23.635 18.484 1.00 24.03 ATOM 1942 HG11 ILE 124 -4.563 -23.715 17.831 1.00 38.33 ATOM 1943 HG12 ILE 124 -6.248 -24.169 18.044 1.00 64.34 ATOM 1944 CG2 ILE 124 -7.013 -22.035 19.574 1.00 31.34 ATOM 1945 HG21 ILE 124 -6.835 -22.542 20.510 1.00 74.41 ATOM 1946 HG22 ILE 124 -7.877 -22.472 19.095 1.00 41.42 ATOM 1947 HG23 ILE 124 -7.209 -20.996 19.784 1.00 52.44 ATOM 1948 CD1 ILE 124 -5.058 -24.330 19.779 1.00 71.43 ATOM 1949 HD11 ILE 124 -5.949 -24.480 20.370 1.00 43.24 ATOM 1950 HD12 ILE 124 -4.352 -23.728 20.335 1.00 63.23 ATOM 1951 HD13 ILE 124 -4.612 -25.288 19.557 1.00 31.21 ATOM 1952 C ILE 124 -6.433 -20.044 17.513 1.00 1.44 ATOM 1953 O ILE 124 -7.581 -19.705 17.799 1.00 24.10 ATOM 1954 N GLY 125 -5.437 -19.174 17.371 1.00 63.41 ATOM 1955 HN GLY 125 -4.529 -19.483 17.158 1.00 38.33 ATOM 1956 CA GLY 125 -5.662 -17.752 17.550 1.00 20.00 ATOM 1957 HA1 GLY 125 -6.642 -17.570 17.974 1.00 38.33 ATOM 1958 HA2 GLY 125 -5.613 -17.273 16.584 1.00 64.33 ATOM 1959 C GLY 125 -4.628 -17.111 18.454 1.00 43.54 ATOM 1960 O GLY 125 -4.443 -15.893 18.432 1.00 41.13 ATOM 1961 N LEU 126 -3.952 -17.930 19.252 1.00 53.22 ATOM 1962 HN LEU 126 -4.125 -18.891 19.206 1.00 38.33 ATOM 1963 HA LEU 126 -3.400 -16.729 20.842 1.00 42.02 ATOM 1964 CB LEU 126 -2.354 -18.589 20.991 1.00 40.11 ATOM 1965 HB1 LEU 126 -1.764 -18.163 21.792 1.00 38.33 ATOM 1966 HB2 LEU 126 -1.693 -19.165 20.351 1.00 31.23 ATOM 1967 CG LEU 126 -3.371 -19.554 21.601 1.00 54.05 ATOM 1968 HG LEU 126 -3.941 -20.022 20.816 1.00 50.31 ATOM 1969 CD1 LEU 126 -2.665 -20.659 22.369 1.00 25.43 ATOM 1970 HD11 LEU 126 -2.125 -20.235 23.205 1.00 20.43 ATOM 1971 HD12 LEU 126 -1.971 -21.165 21.717 1.00 11.22 ATOM 1972 HD13 LEU 126 -3.393 -21.369 22.735 1.00 13.12 ATOM 1973 CD2 LEU 126 -4.339 -18.807 22.506 1.00 11.54 ATOM 1974 HD21 LEU 126 -5.038 -19.506 22.945 1.00 5.33 ATOM 1975 HD22 LEU 126 -4.888 -18.076 21.931 1.00 11.24 ATOM 1976 HD23 LEU 126 -3.791 -18.307 23.294 1.00 2.22 ATOM 1977 CA LEU 126 -2.932 -17.435 20.169 1.00 25.22 ATOM 1978 C LEU 126 -1.814 -16.727 19.410 1.00 60.31 ATOM 1979 OT1 LEU 126 -1.541 -15.549 19.724 1.00 38.33 ATOM 1980 OT2 LEU 126 -1.226 -17.350 18.498 1.00 38.33 ATOM 1981 OH2 TIP3 1 -6.318 -45.809 14.453 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -6.229 -44.865 14.321 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -6.957 -46.084 13.795 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -7.385 -46.554 17.872 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -7.423 -47.200 18.577 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -7.708 -47.020 17.101 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -3.679 -43.615 16.174 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -4.120 -44.335 16.624 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -3.692 -42.894 16.804 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.996 -44.121 18.278 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -8.692 -44.807 17.684 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.274 -44.003 18.896 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -6.521 -43.208 13.496 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.817 -43.530 12.645 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -6.845 -42.308 13.538 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -11.321 -45.032 20.240 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -12.061 -44.434 20.343 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -10.607 -44.478 19.924 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -12.913 -43.068 21.027 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -12.919 -42.189 20.649 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -13.767 -43.151 21.452 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -3.756 -42.093 13.656 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -4.013 -42.783 13.044 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -3.685 -42.536 14.501 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -2.070 -43.527 22.133 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -1.930 -44.118 21.394 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -1.902 -42.654 21.777 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -11.179 -42.297 17.421 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -11.274 -42.875 16.664 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -10.450 -42.668 17.917 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -11.299 -42.557 23.090 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -11.611 -41.775 23.546 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -11.949 -42.710 22.404 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -7.594 -40.456 13.977 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -7.120 -40.161 14.755 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -8.157 -39.718 13.744 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -13.060 -40.485 23.854 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -13.052 -40.621 22.906 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -13.976 -40.603 24.106 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.122 -37.500 12.392 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.197 -37.621 11.446 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -8.089 -36.550 12.511 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -5.351 -38.420 12.144 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -6.286 -38.320 12.323 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -5.071 -39.129 12.722 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -6.703 -47.812 20.492 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -6.379 -48.443 19.849 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -7.143 -48.347 21.153 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -2.285 -45.363 20.048 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -1.643 -44.906 19.505 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -3.115 -45.250 19.586 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -7.915 -44.312 22.499 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -8.261 -44.693 23.305 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -8.115 -43.378 22.570 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 0.030 -43.805 23.653 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -0.822 -43.567 23.286 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 0.620 -43.822 22.900 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -1.638 -40.819 11.281 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -2.011 -41.645 11.591 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -1.361 -41.002 10.384 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -4.478 -46.011 18.303 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -5.406 -46.243 18.276 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -4.027 -46.788 17.973 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -11.824 -38.998 13.557 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -12.774 -38.893 13.609 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -11.473 -38.178 13.902 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 0.258 -38.363 9.303 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 1.001 -37.777 9.163 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -0.437 -37.795 9.636 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -5.632 -40.996 25.041 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -5.983 -41.852 25.284 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -4.906 -40.853 25.648 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -10.244 -44.515 25.079 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -10.572 -44.244 24.221 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -10.092 -45.456 24.991 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.509 -44.599 22.462 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -3.764 -44.011 22.342 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -5.266 -44.017 22.525 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -7.100 -45.805 25.718 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -6.147 -45.721 25.690 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -7.260 -46.516 26.337 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -9.786 -47.112 21.255 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -9.035 -47.268 20.682 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -10.125 -46.260 20.979 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -4.054 -46.508 24.361 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -4.335 -45.799 23.783 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -3.111 -46.581 24.210 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -0.336 -43.864 18.539 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 0.498 -44.242 18.258 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -0.224 -42.921 18.420 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -1.452 -46.158 23.793 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -0.869 -46.892 23.984 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -0.888 -45.386 23.839 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 0.045 -48.255 24.477 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -0.818 -48.634 24.312 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 0.649 -48.994 24.403 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -12.727 -40.322 21.067 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -13.152 -39.513 20.784 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -11.822 -40.237 20.765 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -8.416 -38.923 24.026 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -8.231 -39.257 24.904 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -7.569 -38.614 23.704 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -12.858 -37.466 20.144 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -13.723 -37.394 20.548 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -12.913 -36.919 19.360 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -11.232 -39.263 17.528 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -11.019 -40.151 17.241 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -11.167 -39.297 18.483 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -1.086 -38.446 12.273 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -1.280 -39.194 11.708 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -1.125 -37.688 11.689 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -3.679 -43.615 35.030 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -4.120 -44.335 35.480 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -3.692 -42.894 35.660 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -8.996 -44.121 37.134 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -8.692 -44.807 36.540 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -8.274 -44.003 37.752 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -6.521 -43.208 32.352 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -6.817 -43.530 31.501 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -6.845 -42.308 32.394 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -3.756 -42.093 32.512 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.013 -42.783 31.900 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -3.685 -42.536 33.357 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -2.070 -43.527 40.989 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -1.930 -44.118 40.250 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -1.902 -42.654 40.633 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -4.191 -46.355 31.713 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -4.923 -46.127 32.286 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -3.744 -47.069 32.168 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -5.320 -47.193 29.398 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -4.741 -47.043 30.145 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -4.906 -46.722 28.675 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -7.594 -40.456 32.833 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -7.120 -40.161 33.611 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -8.157 -39.718 32.600 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 0.485 -40.846 42.566 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 0.436 -41.801 42.529 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -0.341 -40.578 42.968 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -8.536 -41.272 41.442 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -8.449 -40.446 41.917 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -9.400 -41.602 41.691 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -8.122 -37.500 31.248 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -8.197 -37.621 30.302 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -8.089 -36.550 31.367 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -5.020 -38.346 28.251 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -4.645 -39.090 27.780 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -5.016 -38.616 29.169 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -5.351 -38.420 31.000 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -6.286 -38.320 31.179 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -5.071 -39.129 31.578 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -3.843 -46.160 27.028 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -3.801 -46.383 26.098 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -2.994 -45.762 27.218 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -2.233 -36.978 43.673 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -2.033 -36.554 42.838 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -1.577 -36.635 44.280 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -2.285 -45.363 38.904 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -1.643 -44.906 38.361 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -3.115 -45.250 38.442 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.665 -41.850 41.305 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -6.566 -41.667 41.037 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -5.631 -41.591 42.226 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 0.066 -49.605 29.672 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -0.488 -50.001 29.000 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 0.167 -48.695 29.395 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 0.030 -43.805 42.509 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -0.822 -43.567 42.142 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 0.620 -43.822 41.756 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -1.638 -40.819 30.137 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -2.011 -41.645 30.447 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -1.361 -41.002 29.240 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -4.478 -46.011 37.159 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -5.406 -46.243 37.132 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -4.027 -46.788 36.829 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -9.993 -39.871 39.183 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -9.630 -39.016 38.950 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -9.461 -40.163 39.924 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.449 -43.772 38.884 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.875 -43.999 39.710 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.868 -44.510 38.701 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -4.246 -42.843 27.958 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -3.893 -43.223 28.762 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -5.195 -42.936 28.044 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -3.380 -44.170 30.184 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -3.657 -44.898 30.740 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -2.453 -44.051 30.390 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -10.155 -41.731 26.405 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -9.916 -42.479 25.857 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -10.424 -42.119 27.237 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -8.117 -39.868 26.543 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -8.761 -40.499 26.865 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -7.355 -40.399 26.311 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -5.632 -40.996 43.897 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -5.983 -41.852 44.140 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -4.906 -40.853 44.504 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -7.206 -43.094 26.370 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -7.474 -42.914 27.271 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -7.412 -44.020 26.239 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -4.509 -44.599 41.318 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -3.764 -44.011 41.198 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -5.266 -44.017 41.381 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -10.440 -37.235 28.204 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -9.507 -37.077 28.348 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -10.704 -36.560 27.579 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -0.095 -46.649 32.447 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.821 -47.128 32.845 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 0.486 -46.443 33.179 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -0.336 -43.864 37.395 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 0.498 -44.242 37.114 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -0.224 -42.921 37.276 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -1.478 -49.508 27.389 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.381 -48.841 26.709 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -1.618 -50.324 26.907 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -2.308 -48.128 33.010 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -2.458 -49.073 32.990 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.662 -47.847 33.854 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -8.416 -38.923 42.882 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -8.231 -39.257 43.760 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -7.569 -38.614 42.560 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -6.071 -37.638 42.126 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -5.394 -38.270 41.886 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -5.749 -37.236 42.934 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -11.232 -39.263 36.384 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -11.019 -40.151 36.097 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -11.167 -39.297 37.339 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.795 -38.009 28.449 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -6.929 -37.643 28.271 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -8.042 -38.449 27.636 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.086 -38.446 31.129 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.280 -39.194 30.564 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -1.125 -37.688 30.545 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -1.868 -39.695 43.279 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -2.650 -39.881 42.759 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -1.940 -38.766 43.496 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -0.432 -41.077 46.444 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -0.359 -40.138 46.614 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 0.473 -41.382 46.387 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 0.258 -38.363 47.015 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 1.001 -37.777 46.875 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -0.437 -37.795 47.348 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 0.485 -21.990 4.854 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 0.436 -22.945 4.817 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -0.341 -21.722 5.256 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -2.233 -18.122 5.961 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -2.033 -17.698 5.126 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -1.577 -17.779 6.568 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 0.030 -24.949 4.797 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -0.822 -24.711 4.430 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 0.620 -24.966 4.044 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -3.790 -20.364 3.641 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -4.392 -20.919 3.146 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -3.509 -19.697 3.015 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -5.632 -22.140 6.185 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -5.983 -22.996 6.428 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -4.906 -21.997 6.792 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -10.244 -25.659 6.223 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -10.572 -25.388 5.365 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -10.092 -26.600 6.135 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -7.100 -26.949 6.862 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -6.147 -26.865 6.834 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -7.260 -27.660 7.481 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -4.054 -27.652 5.505 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -4.335 -26.943 4.927 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -3.111 -27.725 5.354 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 0.196 -19.460 -0.163 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 0.174 -19.275 0.776 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 0.886 -18.891 -0.504 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -0.241 -19.893 2.759 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -0.728 -20.628 2.388 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 0.308 -20.286 3.437 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -1.790 -24.103 7.397 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -2.656 -24.208 7.791 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -1.414 -23.344 7.844 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -1.849 -22.130 1.990 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -2.497 -21.805 2.615 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -2.367 -22.570 1.315 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -8.416 -20.067 5.170 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -8.231 -20.401 6.048 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -7.569 -19.758 4.848 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -6.071 -18.782 4.414 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -5.394 -19.414 4.174 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -5.749 -18.380 5.222 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -3.215 -18.274 1.704 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -3.397 -17.358 1.493 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -3.039 -18.684 0.857 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -1.868 -20.839 5.567 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -2.650 -21.025 5.047 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -1.940 -19.910 5.784 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -6.318 -26.953 14.453 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -6.229 -26.009 14.321 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -6.957 -27.228 13.795 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -7.385 -27.698 17.872 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -7.423 -28.344 18.577 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -7.708 -28.164 17.101 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -14.093 -23.633 18.000 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -14.463 -24.435 17.631 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -13.152 -23.802 18.047 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.321 -26.176 20.240 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -12.061 -25.578 20.343 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -10.607 -25.622 19.924 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -12.913 -24.212 21.027 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -12.919 -23.333 20.649 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -13.767 -24.295 21.452 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -9.864 -36.546 17.405 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.981 -37.495 17.351 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -10.719 -36.214 17.678 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -7.597 -27.709 11.905 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -8.309 -27.174 11.554 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -6.906 -27.653 11.245 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -7.543 -29.251 8.944 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -6.842 -29.229 9.595 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -7.241 -29.879 8.288 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -4.191 -27.499 12.857 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -4.923 -27.271 13.430 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -3.744 -28.213 13.312 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -11.179 -23.441 17.421 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -11.274 -24.019 16.664 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -10.450 -23.812 17.917 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -11.299 -23.701 23.090 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -11.611 -22.919 23.546 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -11.949 -23.854 22.404 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -5.320 -28.337 10.542 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -4.741 -28.187 11.289 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -4.906 -27.866 9.819 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -13.060 -21.629 23.854 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -13.052 -21.765 22.906 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -13.976 -21.747 24.106 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -1.622 -36.587 10.355 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -2.521 -36.448 10.650 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -1.370 -35.756 9.953 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -0.432 -22.221 8.732 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -0.359 -21.282 8.902 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 0.473 -22.526 8.675 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -14.468 -19.855 14.173 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -14.316 -20.203 15.052 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -15.319 -20.211 13.918 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -12.595 -35.643 18.183 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -13.456 -35.730 17.775 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -12.617 -34.787 18.610 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -3.843 -27.304 8.172 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -3.801 -27.527 7.242 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -2.994 -26.906 8.362 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -12.504 -30.677 19.278 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -13.146 -30.718 19.987 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -12.467 -29.751 19.040 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -6.971 -30.040 13.007 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -7.380 -29.225 12.715 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -6.251 -30.180 12.392 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -5.967 -30.594 15.821 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -6.162 -29.989 15.106 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -5.785 -31.428 15.386 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -6.703 -28.956 20.492 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -6.379 -29.587 19.849 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -7.143 -29.491 21.153 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -9.925 -33.029 15.276 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.836 -32.972 15.565 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -9.420 -33.089 16.087 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -8.605 -30.241 17.163 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -8.041 -30.788 16.616 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -8.753 -30.763 17.952 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -9.979 -31.853 19.577 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -10.814 -31.399 19.687 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -9.455 -31.577 20.329 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -9.435 -25.640 11.262 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -10.179 -26.147 10.939 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -9.569 -25.591 12.208 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -7.915 -25.456 22.499 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -8.261 -25.837 23.305 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -8.115 -24.522 22.570 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -4.819 -30.959 11.122 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -3.927 -31.096 11.441 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -4.762 -30.168 10.585 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -10.285 -28.367 24.559 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -10.581 -28.533 23.664 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -9.354 -28.587 24.549 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 0.066 -30.749 10.816 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -0.488 -31.145 10.144 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 0.167 -29.839 10.539 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -11.935 -22.827 14.436 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -11.408 -22.054 14.235 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -12.815 -22.602 14.134 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -10.508 -25.164 14.012 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -10.749 -24.239 14.054 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -11.248 -25.623 14.408 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -11.824 -20.142 13.557 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -12.774 -20.037 13.609 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -11.473 -19.322 13.902 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.155 -22.875 7.549 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.916 -23.623 7.001 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.424 -23.263 8.381 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.218 -23.305 10.005 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -11.071 -23.825 10.795 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -11.221 -22.398 10.311 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -6.149 -33.738 11.891 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -5.929 -33.266 11.088 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -5.591 -33.343 12.562 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -8.949 -32.010 12.726 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -8.137 -31.506 12.772 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -9.194 -32.155 13.640 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -8.065 -34.929 13.664 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -8.412 -34.311 14.309 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -7.407 -34.428 13.183 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -11.142 -20.564 10.736 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -10.981 -19.764 10.235 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -11.339 -20.257 11.621 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -8.117 -21.012 7.687 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -8.761 -21.643 8.009 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -7.355 -21.543 7.455 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -10.244 -25.659 25.079 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -10.572 -25.388 24.221 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -10.092 -26.600 24.991 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -7.206 -24.238 7.514 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -7.474 -24.058 8.415 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -7.412 -25.164 7.383 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -11.409 -27.313 10.084 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -11.868 -27.797 10.770 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -11.154 -27.981 9.448 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.120 -29.420 22.440 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.738 -28.745 22.721 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -11.776 -29.099 21.607 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -0.948 -26.715 7.792 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -1.221 -27.140 6.979 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -0.908 -25.784 7.575 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -11.780 -32.065 23.523 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.630 -32.794 22.920 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -11.778 -31.288 22.964 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -11.368 -33.695 21.015 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -10.832 -33.244 20.363 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -12.220 -33.803 20.593 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.786 -28.256 21.255 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -9.035 -28.412 20.682 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.125 -27.404 20.979 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -13.302 -30.867 25.434 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -14.069 -31.399 25.224 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -12.623 -31.177 24.835 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -10.562 -36.239 21.447 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -10.660 -35.292 21.341 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -11.305 -36.611 20.971 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -10.340 -36.945 24.118 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -9.628 -37.585 24.104 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -10.441 -36.678 23.204 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -9.987 -35.262 26.172 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -10.118 -35.738 25.351 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.586 -34.518 26.116 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -10.440 -18.379 9.348 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -9.507 -18.221 9.492 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -10.704 -17.704 8.723 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -0.489 -25.846 11.767 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 0.361 -25.425 11.895 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -0.484 -26.586 12.375 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 0.173 -27.892 9.982 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -0.348 -27.535 9.263 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 0.140 -27.217 10.660 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -1.478 -30.652 8.533 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -1.381 -29.985 7.853 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -1.618 -31.468 8.051 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -2.598 -31.689 12.616 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -2.318 -32.596 12.741 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -1.839 -31.255 12.227 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -1.984 -34.426 12.665 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -1.802 -34.875 13.490 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -2.584 -35.011 12.201 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -0.118 -34.359 9.193 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 0.295 -35.080 8.717 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 0.564 -33.689 9.251 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -12.727 -21.466 21.067 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -13.152 -20.657 20.784 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -11.822 -21.381 20.765 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.416 -20.067 24.026 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -8.231 -20.401 24.904 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.569 -19.758 23.704 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -12.858 -18.610 20.144 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -13.723 -18.538 20.548 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -12.913 -18.063 19.360 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.769 -20.877 16.680 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -13.988 -21.793 16.849 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -12.945 -20.737 17.146 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -7.723 -34.743 16.673 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -8.398 -35.372 16.928 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -7.159 -35.227 16.070 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -10.817 -36.182 14.308 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -9.943 -35.794 14.278 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -10.953 -36.397 15.231 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -3.907 -36.126 11.650 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -4.610 -35.512 11.440 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -4.352 -36.964 11.781 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -7.795 -19.153 9.593 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -6.929 -18.787 9.415 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -8.042 -19.593 8.780 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -7.385 -27.698 36.728 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -7.423 -28.344 37.433 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -7.708 -28.164 35.957 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -6.568 -19.654 35.242 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -5.948 -20.331 34.969 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -6.776 -19.872 36.150 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -8.996 -25.265 37.134 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -8.692 -25.951 36.540 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -8.274 -25.147 37.752 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -5.855 -30.871 37.462 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -5.712 -31.818 37.482 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.961 -30.664 36.533 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -12.700 -32.770 34.734 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -12.657 -31.910 34.316 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -13.158 -33.322 34.101 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -10.924 -28.823 34.712 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -10.308 -29.349 35.221 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -11.510 -29.463 34.308 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -3.167 -22.919 37.378 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -4.109 -22.861 37.539 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -2.891 -22.013 37.241 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -9.864 -36.546 36.261 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -9.981 -37.495 36.207 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -10.719 -36.214 36.534 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -4.915 -21.138 34.003 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -4.490 -21.845 33.518 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -4.598 -20.337 33.586 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -0.228 -28.331 39.055 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -0.880 -27.636 39.144 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 0.237 -28.121 38.245 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -4.294 -29.325 40.781 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -4.214 -28.562 41.353 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -4.895 -29.046 40.090 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -12.546 -26.869 33.596 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -12.876 -27.239 32.777 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -11.958 -27.539 33.942 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -5.870 -22.597 37.963 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -6.111 -21.935 38.611 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -6.068 -23.431 38.388 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -7.594 -21.600 32.833 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -7.120 -21.305 33.611 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -8.157 -20.862 32.600 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -13.556 -27.799 31.185 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -13.848 -27.031 30.694 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -14.230 -28.459 31.022 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.122 -18.644 31.248 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -8.197 -18.765 30.302 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -8.089 -17.694 31.367 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -5.020 -19.490 28.251 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -4.645 -20.234 27.780 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -5.016 -19.760 29.169 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -5.351 -19.564 31.000 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -6.286 -19.464 31.179 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -5.071 -20.273 31.578 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -2.363 -30.497 43.046 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -2.770 -30.016 42.326 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -2.322 -31.402 42.739 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -12.595 -35.643 37.039 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -13.456 -35.730 36.631 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -12.617 -34.787 37.466 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -7.932 -35.921 40.413 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -7.512 -36.336 41.166 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -8.865 -36.099 40.530 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -4.606 -32.165 41.267 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.120 -32.291 42.064 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -4.761 -31.253 41.022 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -8.270 -33.428 27.698 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -8.524 -33.409 28.621 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -8.527 -34.300 27.397 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -12.507 -30.456 33.046 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -13.400 -30.797 32.987 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -12.056 -30.833 32.290 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -11.388 -32.983 26.799 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -11.819 -33.428 27.529 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -12.106 -32.611 26.287 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -6.703 -28.956 39.348 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.379 -29.587 38.705 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -7.143 -29.491 40.009 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -9.925 -33.029 34.132 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -10.836 -32.972 34.421 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -9.420 -33.089 34.943 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -11.444 -31.400 30.615 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -10.512 -31.271 30.793 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -11.659 -30.730 29.966 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -12.770 -30.205 28.182 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -13.312 -30.585 27.491 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -11.936 -30.011 27.753 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -8.605 -30.241 36.019 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -8.041 -30.788 35.472 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -8.753 -30.763 36.808 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -9.979 -31.853 38.433 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.814 -31.399 38.543 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -9.455 -31.577 39.185 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -2.285 -26.507 38.904 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -1.643 -26.050 38.361 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -3.115 -26.394 38.442 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -4.478 -27.155 37.159 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -5.406 -27.387 37.132 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -4.027 -27.932 36.829 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -11.935 -22.827 33.292 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -11.408 -22.054 33.091 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -12.815 -22.602 32.990 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -10.508 -25.164 32.868 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -10.749 -24.239 32.910 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -11.248 -25.623 33.264 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -6.449 -24.916 38.884 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -6.875 -25.143 39.710 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.868 -25.654 38.701 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -10.155 -22.875 26.405 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -9.916 -23.623 25.857 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -10.424 -23.263 27.237 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -11.218 -23.305 28.861 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -11.071 -23.825 29.651 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -11.221 -22.398 29.167 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -6.933 -33.390 39.650 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -6.235 -33.316 40.300 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -7.314 -34.254 39.805 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -8.480 -21.607 29.610 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -9.297 -21.110 29.663 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -7.951 -21.132 28.970 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -8.413 -31.024 40.767 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -8.294 -30.450 41.524 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -7.758 -31.712 40.882 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -11.142 -20.564 29.592 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -10.981 -19.764 29.091 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -11.339 -20.257 30.477 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -12.408 -33.866 29.208 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -12.491 -32.977 29.554 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -11.518 -34.131 29.439 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -2.209 -33.117 41.602 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -3.125 -32.854 41.514 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.873 -33.120 40.705 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -2.520 -20.110 37.320 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -2.676 -19.432 36.663 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -1.588 -20.038 37.523 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -8.117 -21.012 26.543 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -8.761 -21.643 26.865 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -7.355 -21.543 26.311 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -11.409 -27.313 28.940 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -11.868 -27.797 29.626 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -11.154 -27.981 28.304 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -10.338 -29.070 27.203 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -10.518 -29.224 26.275 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -9.387 -28.962 27.247 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -11.368 -33.695 39.871 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -10.832 -33.244 39.219 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -12.220 -33.803 39.449 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -10.562 -36.239 40.303 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -10.660 -35.292 40.197 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -11.305 -36.611 39.827 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -6.582 -32.790 42.942 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -7.530 -32.758 43.074 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -6.270 -33.415 43.596 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 0.196 -19.460 37.549 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 0.174 -19.275 38.488 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 0.886 -18.891 37.208 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -0.336 -25.008 37.395 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 0.498 -25.386 37.114 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -0.224 -24.065 37.276 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -1.849 -22.130 39.702 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -2.497 -21.805 40.327 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.367 -22.570 39.027 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 0.045 -29.399 43.333 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -0.818 -29.778 43.168 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 0.649 -30.138 43.259 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -1.957 -30.371 39.684 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -2.800 -30.103 40.050 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -1.514 -29.549 39.473 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 0.326 -36.391 45.038 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 0.676 -37.045 44.432 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 0.473 -35.554 44.598 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -0.154 -34.282 43.387 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -1.071 -34.011 43.351 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -0.031 -34.817 42.603 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -3.066 -19.370 33.121 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -2.413 -19.717 32.513 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -2.555 -18.881 33.767 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -10.817 -36.182 33.164 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -9.943 -35.794 33.134 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -10.953 -36.397 34.087 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -9.673 -34.102 30.054 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -9.495 -34.748 30.737 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -9.727 -33.268 30.521 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -7.795 -19.153 28.449 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -6.929 -18.787 28.271 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -8.042 -19.593 27.636 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -5.044 -36.912 44.586 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -4.968 -37.338 45.440 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -4.151 -36.898 44.244 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -2.230 -33.244 45.362 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -1.620 -33.616 45.999 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -3.067 -33.666 45.558 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -0.118 -34.359 46.905 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 0.295 -35.080 46.429 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 0.564 -33.689 46.963 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -0.333 -14.808 0.283 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -0.284 -14.198 1.019 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 0.093 -14.347 -0.440 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -2.867 -15.777 1.083 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.603 -15.166 1.045 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -2.183 -15.362 0.557 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -0.228 -9.475 1.343 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -0.880 -8.780 1.432 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 0.237 -9.265 0.533 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -4.294 -10.469 3.069 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -4.214 -9.706 3.641 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -4.895 -10.190 2.378 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -2.363 -11.641 5.334 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -2.770 -11.160 4.614 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -2.322 -12.546 5.027 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -4.606 -13.309 3.555 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -5.120 -13.435 4.352 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -4.761 -12.397 3.310 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 0.030 -6.093 4.797 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -0.822 -5.855 4.430 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 0.620 -6.110 4.044 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -2.209 -14.261 3.890 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -3.125 -13.998 3.802 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -1.873 -14.264 2.993 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -5.370 -11.585 7.427 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -5.178 -12.516 7.316 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -4.513 -11.160 7.417 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.948 -15.300 7.235 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -5.045 -16.252 7.229 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -5.270 -15.031 8.096 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -1.452 -8.446 4.937 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -0.869 -9.180 5.128 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -0.888 -7.674 4.983 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 0.045 -10.543 5.621 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -0.818 -10.922 5.456 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 0.649 -11.282 5.547 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.986 -12.252 -0.804 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.053 -12.040 -0.838 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -2.221 -12.150 0.119 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -1.957 -11.515 1.972 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -2.800 -11.247 2.338 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -1.514 -10.693 1.761 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -1.153 -17.336 3.494 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -1.966 -17.011 3.106 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -0.920 -18.096 2.961 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -5.044 -18.056 6.874 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -4.968 -18.482 7.728 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -4.151 -18.042 6.532 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -7.385 -8.842 17.872 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -7.423 -9.488 18.577 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -7.708 -9.308 17.101 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -5.855 -12.015 18.606 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -5.712 -12.962 18.626 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -5.961 -11.808 17.677 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -12.700 -13.914 15.878 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -12.657 -13.054 15.460 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -13.158 -14.466 15.245 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -4.978 -13.783 14.279 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -4.332 -14.112 14.904 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -4.468 -13.265 13.656 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -0.228 -9.475 20.199 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -0.880 -8.780 20.288 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 0.237 -9.265 19.389 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -4.294 -10.469 21.925 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -4.214 -9.706 22.497 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -4.895 -10.190 21.234 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -2.363 -11.641 24.190 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -2.770 -11.160 23.470 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -2.322 -12.546 23.883 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -12.595 -16.787 18.183 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -13.456 -16.874 17.775 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -12.617 -15.931 18.610 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -7.932 -17.065 21.557 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -7.512 -17.480 22.310 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -8.865 -17.243 21.674 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -4.606 -13.309 22.411 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -5.120 -13.435 23.208 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -4.761 -12.397 22.166 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -6.971 -11.184 13.007 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -7.380 -10.369 12.715 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -6.251 -11.324 12.392 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -5.967 -11.738 15.821 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -6.162 -11.133 15.106 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -5.785 -12.572 15.386 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -6.703 -10.100 20.492 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.379 -10.731 19.849 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -7.143 -10.635 21.153 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -9.925 -14.173 15.276 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -10.836 -14.116 15.565 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -9.420 -14.233 16.087 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -8.605 -11.385 17.163 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -8.041 -11.932 16.616 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -8.753 -11.907 17.952 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -9.979 -12.997 19.577 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -10.814 -12.543 19.687 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -9.455 -12.721 20.329 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -2.285 -7.651 20.048 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -1.643 -7.194 19.505 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -3.115 -7.538 19.586 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -5.537 -13.970 9.461 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -6.475 -13.858 9.310 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -5.240 -13.113 9.767 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -4.819 -12.103 11.122 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -3.927 -12.240 11.441 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -4.762 -11.312 10.585 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 0.066 -11.893 10.816 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -0.488 -12.289 10.144 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 0.167 -10.983 10.539 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -4.478 -8.299 18.303 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -5.406 -8.531 18.276 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -4.027 -9.076 17.973 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -6.149 -14.882 11.891 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -5.929 -14.410 11.088 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -5.591 -14.487 12.562 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -8.949 -13.154 12.726 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -8.137 -12.650 12.772 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -9.194 -13.299 13.640 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -8.413 -12.168 21.911 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -8.294 -11.594 22.668 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -7.758 -12.856 22.026 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -8.065 -16.073 13.664 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -8.412 -15.455 14.309 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -7.407 -15.572 13.183 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -3.607 -10.510 16.842 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -4.404 -10.925 16.513 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -3.162 -11.201 17.333 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -15.025 -17.136 17.201 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -15.254 -17.077 16.274 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -15.468 -17.928 17.508 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -0.948 -7.859 7.792 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -1.221 -8.284 6.979 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.908 -6.928 7.575 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -11.368 -14.839 21.015 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -10.832 -14.388 20.363 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -12.220 -14.947 20.593 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -10.562 -17.383 21.447 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -10.660 -16.436 21.341 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -11.305 -17.755 20.971 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -9.298 -13.061 25.010 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -9.534 -13.281 25.912 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -10.081 -13.268 24.501 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -6.582 -13.934 24.086 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -7.530 -13.902 24.218 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -6.270 -14.559 24.740 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -4.948 -15.300 26.091 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -5.045 -16.252 26.085 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -5.270 -15.031 26.952 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -10.340 -18.089 24.118 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -9.628 -18.729 24.104 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -10.441 -17.822 23.204 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -9.987 -16.406 26.172 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -10.118 -16.882 25.351 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -10.586 -15.662 26.116 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -0.095 -8.937 13.591 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -0.821 -9.416 13.989 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 0.486 -8.731 14.323 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 0.173 -9.036 9.982 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -0.348 -8.679 9.263 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 0.140 -8.361 10.660 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -1.478 -11.796 8.533 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -1.381 -11.129 7.853 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -1.618 -12.612 8.051 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -2.308 -10.416 14.154 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -2.458 -11.361 14.134 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -2.662 -10.135 14.998 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 0.045 -10.543 24.477 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -0.818 -10.922 24.312 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 0.649 -11.282 24.403 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -2.598 -12.833 12.616 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -2.318 -13.740 12.741 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -1.839 -12.399 12.227 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -1.957 -11.515 20.828 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -2.800 -11.247 21.194 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -1.514 -10.693 20.617 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -0.154 -15.426 24.531 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -1.071 -15.155 24.495 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -0.031 -15.961 23.747 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -10.817 -17.326 14.308 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -9.943 -16.938 14.278 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -10.953 -17.541 15.231 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -9.673 -15.246 11.198 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -9.495 -15.892 11.881 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -9.727 -14.412 11.665 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -0.333 -14.808 37.995 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -0.284 -14.198 38.731 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 0.093 -14.347 37.272 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -4.978 -13.783 33.135 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -4.332 -14.112 33.760 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -4.468 -13.265 32.512 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -3.214 -14.492 35.116 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -3.429 -15.258 35.648 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.558 -14.020 35.629 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -8.270 -14.572 27.698 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -8.524 -14.553 28.621 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -8.527 -15.444 27.397 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -5.537 -13.970 28.317 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -6.475 -13.858 28.166 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -5.240 -13.113 28.623 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 0.066 -11.893 29.672 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.488 -12.289 29.000 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 0.167 -10.983 29.395 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -6.149 -14.882 30.747 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -5.929 -14.410 29.944 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -5.591 -14.487 31.418 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -1.478 -11.796 27.389 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -1.381 -11.129 26.709 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -1.618 -12.612 26.907 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -2.230 -14.388 26.506 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -1.620 -14.760 27.143 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -3.067 -14.810 26.702 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -2.598 -12.833 31.472 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -2.318 -13.740 31.597 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -1.839 -12.399 31.083 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -1.984 -15.570 31.521 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -1.802 -16.019 32.346 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -2.584 -16.155 31.057 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -2.581 -17.780 35.641 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -1.977 -17.232 35.140 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -3.450 -17.460 35.401 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -5.260 -17.296 34.813 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -5.184 -17.201 33.864 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -5.536 -18.204 34.942 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -3.907 -17.270 30.506 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -4.610 -16.656 30.296 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -4.352 -18.108 30.637 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 16.623 -36.978 5.961 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 16.823 -36.554 5.126 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 17.279 -36.635 6.568 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 12.785 -37.638 4.414 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 13.462 -38.270 4.174 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 13.107 -37.236 5.222 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 12.538 -45.809 14.453 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 12.627 -44.865 14.321 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 11.899 -46.084 13.795 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 11.471 -46.554 17.872 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 11.433 -47.200 18.577 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 11.148 -47.020 17.101 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 15.177 -43.615 16.174 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 14.736 -44.335 16.624 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 15.164 -42.894 16.804 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 4.763 -42.489 18.000 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 4.393 -43.291 17.631 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 5.704 -42.658 18.047 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 9.860 -44.121 18.278 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 10.164 -44.807 17.684 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 10.582 -44.003 18.896 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 13.001 -49.727 18.606 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 13.144 -50.674 18.626 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 12.895 -49.520 17.677 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 12.335 -43.208 13.496 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 12.039 -43.530 12.645 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 12.011 -42.308 13.538 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 7.535 -45.032 20.240 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 6.795 -44.434 20.343 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 8.249 -44.478 19.924 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 5.943 -43.068 21.027 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 5.937 -42.189 20.649 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 5.089 -43.151 21.452 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 15.100 -42.093 13.656 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 14.843 -42.783 13.044 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 15.171 -42.536 14.501 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 18.628 -47.187 20.199 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 17.976 -46.492 20.288 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 19.093 -46.977 19.389 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 14.665 -46.355 12.857 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 13.933 -46.127 13.430 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 15.112 -47.069 13.312 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 14.562 -48.181 21.925 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 14.642 -47.418 22.497 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 13.961 -47.902 21.234 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 7.677 -42.297 17.421 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 7.582 -42.875 16.664 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 8.406 -42.668 17.917 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 7.557 -42.557 23.090 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 7.245 -41.775 23.546 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 6.907 -42.710 22.404 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 4.477 -46.359 22.319 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 4.547 -45.708 23.017 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 3.586 -46.256 21.984 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 18.424 -41.077 8.732 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 18.497 -40.138 8.902 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 19.329 -41.382 8.675 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 1.393 -44.292 21.144 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 0.892 -44.320 20.329 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 1.399 -45.198 21.454 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 1.144 -41.512 18.028 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 2.090 -41.656 18.009 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 1.031 -40.728 18.565 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 13.836 -38.346 9.395 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 14.211 -39.090 8.924 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 13.840 -38.616 10.313 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 16.493 -49.353 24.190 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 16.086 -48.872 23.470 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 16.534 -50.258 23.883 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 3.642 -42.969 22.187 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 3.859 -43.330 23.047 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 2.787 -43.343 21.977 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 10.987 -48.721 24.495 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 10.424 -49.425 24.815 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 11.813 -48.841 24.962 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 12.153 -47.812 20.492 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 12.477 -48.443 19.849 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 11.713 -48.347 21.153 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 4.221 -44.504 24.425 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 4.954 -44.250 24.986 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 3.441 -44.300 24.940 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 9.421 -44.496 11.262 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 8.677 -45.003 10.939 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 9.287 -44.447 12.208 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 4.546 -45.201 17.031 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 5.291 -45.203 16.430 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 4.624 -46.025 17.513 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 11.547 -43.037 10.287 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 11.252 -42.211 10.669 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 10.844 -43.657 10.483 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 1.554 -46.740 22.346 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 1.777 -47.158 23.178 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 0.952 -47.353 21.924 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 8.571 -47.223 24.559 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 8.275 -47.389 23.664 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.502 -47.443 24.549 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 17.218 -40.819 11.281 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 16.845 -41.645 11.591 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 17.495 -41.002 10.384 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 14.378 -46.011 18.303 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 13.450 -46.243 18.276 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 14.829 -46.788 17.973 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 6.921 -41.683 14.436 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 7.448 -40.910 14.235 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 6.041 -41.458 14.134 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 8.348 -44.020 14.012 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 8.107 -43.095 14.054 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 7.608 -44.479 14.408 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 7.032 -38.998 13.557 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 6.082 -38.893 13.609 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 7.383 -38.178 13.902 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 14.610 -42.843 9.102 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 14.963 -43.223 9.906 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 13.661 -42.936 9.188 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 19.114 -38.363 9.303 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 19.857 -37.777 9.163 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 18.419 -37.795 9.636 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 15.476 -44.170 11.328 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 15.199 -44.898 11.884 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 16.403 -44.051 11.534 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 10.376 -40.463 10.754 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 9.559 -39.966 10.807 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 10.905 -39.988 10.114 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 10.443 -49.880 21.911 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 10.562 -49.306 22.668 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 11.098 -50.568 22.026 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 7.714 -39.420 10.736 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 7.875 -38.620 10.235 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 7.517 -39.113 11.621 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 15.249 -48.222 16.842 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 14.452 -48.637 16.513 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 15.694 -48.913 17.333 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 2.761 -40.908 13.362 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 1.929 -40.435 13.389 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 3.307 -40.398 12.763 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 15.343 -40.051 7.921 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 15.626 -40.845 8.374 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 16.083 -39.818 7.360 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 8.612 -44.515 25.079 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 8.284 -44.244 24.221 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 8.764 -45.456 24.991 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 2.789 -47.285 25.066 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 3.197 -48.142 24.945 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 2.529 -47.270 25.987 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 11.756 -45.805 25.718 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 12.709 -45.721 25.690 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 11.596 -46.516 26.337 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 9.070 -47.112 21.255 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 9.821 -47.268 20.682 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 8.731 -46.260 20.979 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 13.486 -49.297 26.283 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 13.678 -50.228 26.172 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 14.343 -48.872 26.273 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 5.554 -49.723 25.434 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 4.787 -50.255 25.224 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 6.233 -50.033 24.835 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 8.416 -37.235 9.348 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 9.349 -37.077 9.492 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 8.152 -36.560 8.723 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 18.367 -44.702 11.767 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 19.217 -44.281 11.895 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 18.372 -45.442 12.375 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 18.761 -46.649 13.591 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 18.035 -47.128 13.989 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 19.342 -46.443 14.323 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 18.901 -48.255 24.477 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 18.038 -48.634 24.312 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 19.505 -48.994 24.403 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 16.899 -49.227 20.828 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 16.056 -48.959 21.194 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 17.342 -48.405 20.617 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 2.197 -39.219 11.196 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 1.512 -39.257 10.528 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 2.200 -38.306 11.484 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.061 -38.009 9.593 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 11.927 -37.643 9.415 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 10.814 -38.449 8.780 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 4.015 -38.299 8.221 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 3.747 -38.012 9.094 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 4.786 -38.845 8.373 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 3.839 -46.939 38.321 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 3.881 -47.565 39.045 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 4.542 -46.316 38.503 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 1.373 -48.829 32.249 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 0.925 -47.983 32.231 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 0.812 -49.409 31.734 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 2.083 -46.667 34.375 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 2.297 -47.437 34.902 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 2.821 -46.578 33.772 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 9.860 -44.121 37.134 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 10.164 -44.807 36.540 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 10.582 -44.003 37.752 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 13.001 -49.727 37.462 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 13.144 -50.674 37.482 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 12.895 -49.520 36.533 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 13.878 -51.495 33.135 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 14.524 -51.824 33.760 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 14.388 -50.977 32.512 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.932 -47.679 34.712 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 8.548 -48.205 35.221 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 7.346 -48.319 34.308 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 7.535 -45.032 39.096 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 6.795 -44.434 39.199 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 8.249 -44.478 38.780 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 15.642 -52.204 35.116 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.427 -52.970 35.648 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 16.298 -51.732 35.629 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 11.313 -48.107 27.800 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 12.014 -48.085 28.451 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 11.615 -48.735 27.144 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 18.628 -47.187 39.055 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 17.976 -46.492 39.144 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 19.093 -46.977 38.245 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 14.562 -48.181 40.781 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 14.642 -47.418 41.353 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.961 -47.902 40.090 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 6.677 -46.956 37.229 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 7.242 -46.835 36.466 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 6.996 -46.319 37.868 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 7.557 -42.557 41.946 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 7.245 -41.775 42.402 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 6.907 -42.710 41.260 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 13.536 -47.193 29.398 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 14.115 -47.043 30.145 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.950 -46.722 28.675 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 4.477 -46.359 41.175 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 4.547 -45.708 41.873 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 3.586 -46.256 40.840 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 1.393 -44.292 40.000 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 0.892 -44.320 39.185 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 1.399 -45.198 40.310 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 1.144 -41.512 36.884 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 2.090 -41.656 36.865 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 1.031 -40.728 37.421 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 16.493 -49.353 43.046 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 16.086 -48.872 42.326 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 16.534 -50.258 42.739 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 3.642 -42.969 41.043 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 3.859 -43.330 41.903 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 2.787 -43.343 40.833 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 6.349 -49.312 33.046 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 5.456 -49.653 32.987 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 6.800 -49.689 32.290 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.885 -48.896 31.863 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 11.476 -48.081 31.571 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 12.605 -49.036 31.248 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 12.889 -49.450 34.677 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 12.694 -48.845 33.962 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 13.071 -50.284 34.242 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 12.153 -47.812 39.348 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 12.477 -48.443 38.705 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 11.713 -48.347 40.009 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 3.759 -50.256 32.959 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 2.870 -50.156 32.619 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 4.055 -51.098 32.613 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 7.412 -50.256 30.615 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 8.344 -50.127 30.793 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 7.197 -49.586 29.966 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 6.086 -49.061 28.182 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 5.544 -49.441 27.491 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 6.920 -48.867 27.753 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 4.221 -44.504 43.281 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 4.954 -44.250 43.842 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 3.441 -44.300 43.796 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 10.251 -49.097 36.019 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 10.815 -49.644 35.472 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 10.103 -49.619 36.808 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 10.941 -44.312 41.355 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 10.595 -44.693 42.161 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 10.741 -43.378 41.426 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 14.037 -49.815 29.978 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 14.929 -49.952 30.297 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 14.094 -49.024 29.441 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 4.546 -45.201 35.887 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 5.291 -45.203 35.286 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 4.624 -46.025 36.369 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 18.922 -49.605 29.672 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 18.368 -50.001 29.000 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 19.023 -48.695 29.395 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 9.907 -50.866 31.582 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 10.719 -50.362 31.628 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 9.662 -51.011 32.496 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 3.023 -49.630 27.384 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.978 -48.691 27.563 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 2.135 -49.866 27.114 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 6.647 -39.376 45.168 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 7.415 -39.835 45.509 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 6.626 -39.602 44.238 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 8.612 -44.515 43.935 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 8.284 -44.244 43.077 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.764 -45.456 43.847 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.347 -44.599 41.318 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 15.092 -44.011 41.198 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 13.590 -44.017 41.381 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 8.518 -47.926 27.203 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 8.338 -48.080 26.275 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 9.469 -47.818 27.247 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 11.756 -45.805 44.574 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 12.709 -45.721 44.546 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 11.596 -46.516 45.193 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 9.070 -47.112 40.111 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 9.821 -47.268 39.538 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 8.731 -46.260 39.835 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 14.802 -46.508 43.217 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 14.521 -45.799 42.639 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 15.745 -46.581 43.066 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 17.066 -42.959 45.109 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 16.200 -43.064 45.503 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 17.442 -42.200 45.556 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 18.761 -46.649 32.447 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 18.035 -47.128 32.845 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 19.342 -46.443 33.179 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 19.029 -46.748 28.838 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 18.508 -46.391 28.119 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 18.996 -46.073 29.516 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 17.378 -49.508 27.389 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 17.475 -48.841 26.709 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 17.238 -50.324 26.907 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 16.548 -48.128 33.010 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 16.398 -49.073 32.990 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 16.194 -47.847 33.854 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 1.583 -46.050 37.020 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 1.767 -46.132 36.085 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 2.432 -46.174 37.444 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 17.404 -46.158 42.649 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 17.987 -46.892 42.840 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.968 -45.386 42.695 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 18.901 -48.255 43.333 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 18.038 -48.634 43.168 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 19.505 -48.994 43.259 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 16.258 -50.545 31.472 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 16.538 -51.452 31.597 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 17.017 -50.111 31.083 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 16.870 -49.964 36.908 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 17.803 -49.752 36.874 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 16.635 -49.862 37.831 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 16.899 -49.227 39.684 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 16.056 -48.959 40.050 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 17.342 -48.405 39.473 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 3.175 -41.297 43.664 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 2.354 -41.122 43.204 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 2.923 -41.370 44.585 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 18.424 -41.077 46.444 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 18.497 -40.138 46.614 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 19.329 -41.382 46.387 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 10.734 -37.500 50.104 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 10.659 -37.621 49.158 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 10.767 -36.550 50.223 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 13.836 -38.346 47.107 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 14.211 -39.090 46.636 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 13.840 -38.616 48.025 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 13.505 -38.420 49.856 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 12.570 -38.320 50.035 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 13.785 -39.129 50.434 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 11.547 -43.037 47.999 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 11.252 -42.211 48.381 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 10.844 -43.657 48.195 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 17.218 -40.819 48.993 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 16.845 -41.645 49.303 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 17.495 -41.002 48.096 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 14.610 -42.843 46.814 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 14.963 -43.223 47.618 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 13.661 -42.936 46.900 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 8.701 -41.731 45.261 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 8.940 -42.479 44.713 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 8.432 -42.119 46.093 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 10.376 -40.463 48.466 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 9.559 -39.966 48.519 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 10.905 -39.988 47.826 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 7.714 -39.420 48.448 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 7.875 -38.620 47.947 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 7.517 -39.113 49.333 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 4.707 -42.294 47.124 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 5.299 -41.595 47.400 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 5.166 -42.727 46.405 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 10.739 -39.868 45.399 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 10.095 -40.499 45.721 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 11.501 -40.399 45.167 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 11.650 -43.094 45.226 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 11.382 -42.914 46.127 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 11.444 -44.020 45.095 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 17.908 -45.571 45.504 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 17.635 -45.996 44.691 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 17.948 -44.640 45.287 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 8.416 -37.235 47.060 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 9.349 -37.077 47.204 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 8.152 -36.560 46.435 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 1.984 -42.599 46.543 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 2.898 -42.520 46.816 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 1.991 -43.286 45.876 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 15.790 -38.226 51.977 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 16.443 -38.573 51.369 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 16.301 -37.737 52.623 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 2.197 -39.219 48.908 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 1.512 -39.257 48.240 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 2.200 -38.306 49.196 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 11.061 -38.009 47.305 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 11.927 -37.643 47.127 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.814 -38.449 46.492 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 17.770 -38.446 49.985 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 17.576 -39.194 49.420 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 17.731 -37.688 49.401 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.015 -38.299 45.933 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 3.747 -38.012 46.806 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 4.786 -38.845 46.085 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.471 -27.698 -0.984 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 11.433 -28.344 -0.279 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 11.148 -28.164 -1.755 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 3.839 -28.083 0.609 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 3.881 -28.709 1.333 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 4.542 -27.460 0.791 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 15.177 -24.759 -2.682 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 14.736 -25.479 -2.232 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 15.164 -24.038 -2.052 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 4.763 -23.633 -0.856 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 4.393 -24.435 -1.225 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 5.704 -23.802 -0.809 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 12.288 -19.654 -2.470 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 12.908 -20.331 -2.743 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 12.080 -19.872 -1.562 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 9.860 -25.265 -0.578 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 10.164 -25.951 -1.172 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 10.582 -25.147 0.040 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 18.523 -33.664 0.283 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 18.572 -33.054 1.019 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 18.949 -33.203 -0.440 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 13.001 -30.871 -0.250 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 13.144 -31.818 -0.230 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 12.895 -30.664 -1.179 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 18.915 -32.186 2.519 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 18.226 -31.528 2.424 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 18.930 -32.383 3.456 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 7.535 -26.176 1.384 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 6.795 -25.578 1.487 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 8.249 -25.622 1.068 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 15.689 -22.919 -0.334 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 14.747 -22.861 -0.173 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 15.965 -22.013 -0.471 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 15.989 -34.633 1.083 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 15.253 -34.022 1.045 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 16.673 -34.218 0.557 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 13.941 -21.138 -3.709 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 14.366 -21.845 -4.194 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 14.258 -20.337 -4.126 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 18.628 -28.331 1.343 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 17.976 -27.636 1.432 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 19.093 -28.121 0.533 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 7.677 -23.441 -1.435 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 7.582 -24.019 -2.192 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 8.406 -23.812 -0.939 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 6.677 -28.100 -0.483 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.242 -27.979 -1.246 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 6.996 -27.463 0.156 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 4.477 -27.503 3.463 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 4.547 -26.852 4.161 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 3.586 -27.400 3.128 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 11.262 -21.600 -4.879 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 11.736 -21.305 -4.101 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 10.699 -20.862 -5.112 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 1.393 -25.436 2.288 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 0.892 -25.464 1.473 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 1.399 -26.342 2.598 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 1.144 -22.656 -0.828 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 2.090 -22.800 -0.847 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 1.031 -21.872 -0.291 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 19.341 -21.990 4.854 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 19.292 -22.945 4.817 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 18.515 -21.722 5.256 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 10.734 -18.644 -6.464 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 10.659 -18.765 -7.410 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 10.767 -17.694 -6.345 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 4.388 -19.855 -4.683 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 4.540 -20.203 -3.804 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.537 -20.211 -4.938 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 10.924 -35.921 2.701 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 11.344 -36.336 3.454 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 9.991 -36.099 2.818 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 4.102 -30.357 2.289 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 4.064 -29.957 3.157 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 3.611 -31.174 2.379 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 12.153 -28.956 1.636 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 12.477 -29.587 0.993 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 11.713 -29.491 2.297 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 13.336 -33.794 -0.316 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 12.659 -33.663 0.348 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 12.850 -33.949 -1.126 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 16.623 -18.122 5.961 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 16.823 -17.698 5.126 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 17.279 -17.779 6.568 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 8.877 -31.853 0.721 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 8.042 -31.399 0.831 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 9.401 -31.577 1.473 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 4.546 -26.345 -1.825 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 5.291 -26.347 -2.426 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 4.624 -27.169 -1.343 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 1.554 -27.884 3.490 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 1.777 -28.302 4.322 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 0.952 -28.497 3.068 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 14.378 -27.155 -0.553 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 13.450 -27.387 -0.580 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 14.829 -27.932 -0.883 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 6.921 -22.827 -4.420 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 7.448 -22.054 -4.621 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 6.041 -22.602 -4.722 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 8.348 -25.164 -4.844 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 8.107 -24.239 -4.802 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 7.608 -25.623 -4.448 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 7.032 -20.142 -5.299 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 6.082 -20.037 -5.247 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 7.383 -19.322 -4.954 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 12.407 -24.916 1.172 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 11.981 -25.143 1.998 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 12.988 -25.654 0.989 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 2.839 -21.326 1.483 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 3.056 -22.258 1.452 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 3.086 -21.052 2.367 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 11.923 -33.390 1.938 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 12.621 -33.316 2.588 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 11.542 -34.254 2.093 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 10.443 -31.024 3.055 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 10.562 -30.450 3.812 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.098 -31.712 3.170 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 16.647 -33.117 3.890 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 15.731 -32.854 3.802 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 16.983 -33.120 2.993 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.249 -29.366 -2.014 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 14.452 -29.781 -2.343 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 15.694 -30.057 -1.523 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 16.336 -20.110 -0.392 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 16.180 -19.432 -1.049 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 17.268 -20.038 -0.189 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 2.761 -22.052 -5.494 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 1.929 -21.579 -5.467 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 3.307 -21.542 -6.093 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 1.957 -25.629 6.790 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 2.101 -26.531 6.504 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 1.184 -25.343 6.302 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 2.789 -28.429 6.210 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 3.197 -29.286 6.089 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 2.529 -28.414 7.131 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 6.736 -29.420 3.584 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 6.118 -28.745 3.865 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 7.080 -29.099 2.751 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 7.076 -32.065 4.667 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 7.226 -32.794 4.064 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 7.078 -31.288 4.108 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 7.488 -33.695 2.159 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 8.024 -33.244 1.507 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 6.636 -33.803 1.737 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 9.070 -28.256 2.399 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 9.821 -28.412 1.826 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 8.731 -27.404 2.123 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 9.558 -31.917 6.154 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 9.322 -32.137 7.056 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 8.775 -32.124 5.645 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 3.735 -32.946 6.283 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 3.946 -33.653 5.672 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 3.623 -33.384 7.127 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 8.869 -35.262 7.316 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 8.738 -35.738 6.495 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 8.270 -34.518 7.260 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 0.633 -18.350 -4.948 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 -0.014 -18.812 -5.481 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 0.988 -19.022 -4.365 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 1.503 -20.269 -3.143 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 1.169 -21.150 -2.971 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 1.725 -19.924 -2.279 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 19.052 -19.460 -0.163 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 19.030 -19.275 0.776 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 19.742 -18.891 -0.504 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 18.615 -19.893 2.759 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 18.128 -20.628 2.388 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 19.164 -20.286 3.437 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 18.520 -25.008 -0.317 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 19.354 -25.386 -0.598 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 18.632 -24.065 -0.436 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 18.901 -29.399 5.621 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 18.038 -29.778 5.456 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 19.505 -30.138 5.547 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 16.870 -31.108 -0.804 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 17.803 -30.896 -0.838 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 16.635 -31.006 0.119 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 16.899 -30.371 1.972 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 16.056 -30.103 2.338 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 17.342 -29.549 1.761 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 1.181 -31.923 5.449 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 2.100 -32.045 5.685 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 0.731 -32.673 5.838 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 19.182 -36.391 7.326 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 19.532 -37.045 6.720 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 19.329 -35.554 6.886 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 18.702 -34.282 5.675 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 17.785 -34.011 5.639 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 18.825 -34.817 4.891 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.785 -18.782 4.414 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.462 -19.414 4.174 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.107 -18.380 5.222 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 17.703 -36.192 3.494 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 16.890 -35.867 3.106 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 17.936 -36.952 2.961 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 15.641 -18.274 1.704 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 15.459 -17.358 1.493 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.817 -18.684 0.857 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 2.946 -19.587 -0.831 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 2.927 -20.012 0.026 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 3.751 -19.905 -1.240 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 5.390 -36.244 6.692 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 6.289 -36.518 6.507 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 5.004 -36.987 7.156 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 13.812 -36.912 6.874 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 13.888 -37.338 7.728 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 14.705 -36.898 6.532 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 10.586 -33.428 8.842 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 10.332 -33.409 9.765 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 10.329 -34.300 8.541 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 7.468 -32.983 7.943 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 7.037 -33.428 8.673 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 6.750 -32.611 7.431 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 1.985 -32.495 10.419 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 2.459 -31.904 9.834 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 1.267 -31.964 10.766 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 18.922 -30.749 10.816 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 18.368 -31.145 10.144 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 19.023 -29.839 10.539 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 2.676 -27.965 9.023 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 3.292 -27.338 9.402 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 1.814 -27.649 9.294 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 3.023 -30.774 8.528 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 2.978 -29.835 8.707 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 2.135 -31.010 8.258 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 18.367 -25.846 11.767 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 19.217 -25.425 11.895 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 18.372 -26.586 12.375 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 19.029 -27.892 9.982 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 18.508 -27.535 9.263 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 18.996 -27.217 10.660 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 18.738 -34.359 9.193 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 19.151 -35.080 8.717 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 19.420 -33.689 9.251 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 1.019 -34.354 12.320 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 0.094 -34.145 12.190 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 1.473 -33.870 11.630 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 2.296 -36.311 10.298 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 2.735 -35.700 9.707 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 1.662 -35.773 10.772 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 4.157 -34.395 8.741 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 4.648 -35.025 8.213 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 4.780 -34.099 9.404 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 3.839 -28.083 38.321 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 3.881 -28.709 39.045 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 4.542 -27.460 38.503 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 15.177 -24.759 35.030 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 14.736 -25.479 35.480 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 15.164 -24.038 35.660 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 16.786 -24.671 40.989 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 16.926 -25.262 40.250 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 16.954 -23.798 40.633 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 18.628 -28.331 39.055 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 17.976 -27.636 39.144 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 19.093 -28.121 38.245 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 12.986 -22.597 37.963 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 12.745 -21.935 38.611 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 12.788 -23.431 38.388 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 7.557 -23.701 41.946 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 7.245 -22.919 42.402 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 6.907 -23.854 41.260 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 4.477 -27.503 41.175 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 4.547 -26.852 41.873 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 3.586 -27.400 40.840 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 5.796 -21.629 42.710 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 5.804 -21.765 41.762 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.880 -21.747 42.962 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 1.393 -25.436 40.000 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 0.892 -25.464 39.185 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 1.399 -26.342 40.310 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 1.144 -22.656 36.884 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 2.090 -22.800 36.865 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 1.031 -21.872 37.421 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 19.341 -21.990 42.566 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 19.292 -22.945 42.529 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 18.515 -21.722 42.968 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 10.320 -22.416 41.442 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 10.407 -21.590 41.917 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 9.456 -22.746 41.691 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 16.493 -30.497 43.046 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 16.086 -30.016 42.326 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 16.534 -31.402 42.739 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 3.642 -24.113 41.043 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 3.859 -24.474 41.903 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 2.787 -24.487 40.833 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 16.623 -18.122 43.673 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 16.823 -17.698 42.838 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 17.279 -17.779 44.280 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 4.221 -25.648 43.281 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 4.954 -25.394 43.842 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 3.441 -25.444 43.796 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 16.571 -26.507 38.904 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 17.213 -26.050 38.361 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 15.741 -26.394 38.442 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 1.554 -27.884 41.202 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 1.777 -28.302 42.034 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 0.952 -28.497 40.780 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 13.191 -22.994 41.305 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 12.290 -22.811 41.037 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 13.225 -22.735 42.226 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 14.378 -27.155 37.159 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 13.450 -27.387 37.132 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 14.829 -27.932 36.829 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 8.863 -21.015 39.183 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 9.226 -20.160 38.950 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 9.395 -21.307 39.924 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 15.066 -20.364 41.353 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 14.464 -20.919 40.858 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 15.347 -19.697 40.727 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 2.839 -21.326 39.195 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 3.056 -22.258 39.164 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 3.086 -21.052 40.079 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 8.612 -25.659 43.935 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 8.284 -25.388 43.077 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 8.764 -26.600 43.847 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 14.347 -25.743 41.318 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 15.092 -25.155 41.198 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 13.590 -25.161 41.381 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 2.789 -28.429 43.922 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 3.197 -29.286 43.801 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 2.529 -28.414 44.843 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 11.756 -26.949 44.574 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 12.709 -26.865 44.546 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 11.596 -27.660 45.193 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 14.802 -27.652 43.217 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 14.521 -26.943 42.639 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 15.745 -27.725 43.066 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 5.554 -30.867 44.290 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 4.787 -31.399 44.080 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 6.233 -31.177 43.691 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 3.735 -32.946 43.995 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 3.946 -33.653 43.384 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 3.623 -33.384 44.839 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 8.516 -36.945 42.974 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 9.228 -37.585 42.960 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 8.415 -36.678 42.060 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 18.615 -19.893 40.471 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 18.128 -20.628 40.100 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 19.164 -20.286 41.149 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 18.520 -25.008 37.395 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 19.354 -25.386 37.114 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 18.632 -24.065 37.276 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 17.007 -22.130 39.702 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 16.359 -21.805 40.327 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 16.489 -22.570 39.027 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 1.583 -27.194 37.020 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 1.767 -27.276 36.085 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 2.432 -27.318 37.444 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 17.404 -27.302 42.649 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 17.987 -28.036 42.840 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 17.968 -26.530 42.695 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 18.901 -29.399 43.333 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 18.038 -29.778 43.168 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 19.505 -30.138 43.259 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 16.899 -30.371 39.684 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 16.056 -30.103 40.050 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 17.342 -29.549 39.473 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 1.181 -31.923 43.161 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 2.100 -32.045 43.397 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 0.731 -32.673 43.550 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 6.129 -21.466 39.923 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 5.704 -20.657 39.640 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 7.034 -21.381 39.621 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 10.440 -20.067 42.882 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 10.625 -20.401 43.760 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 11.287 -19.758 42.560 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 12.785 -18.782 42.126 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 13.462 -19.414 41.886 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 13.107 -18.380 42.934 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 3.531 -18.210 39.970 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 2.811 -17.770 39.519 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 3.165 -18.461 40.819 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 5.998 -18.610 39.000 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 5.133 -18.538 39.404 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.943 -18.063 38.216 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 10.709 -18.722 38.176 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 10.252 -18.193 37.522 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 10.872 -18.119 38.901 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 13.036 -19.844 39.121 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 12.132 -19.679 38.855 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 13.465 -18.991 39.055 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 2.946 -19.587 36.881 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 2.927 -20.012 37.738 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 3.751 -19.905 36.472 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 16.988 -20.839 43.279 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 16.206 -21.025 42.759 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 16.916 -19.910 43.496 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.878 -32.639 51.991 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 14.524 -32.968 52.616 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 14.388 -32.121 51.368 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 11.259 -27.709 49.617 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 10.547 -27.174 49.266 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 11.950 -27.653 48.957 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 14.665 -27.499 50.569 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.933 -27.271 51.142 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 15.112 -28.213 51.024 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 13.536 -28.337 48.254 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 14.115 -28.187 49.001 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 13.950 -27.866 47.531 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 15.013 -27.304 45.884 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 15.055 -27.527 44.954 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 15.862 -26.906 46.074 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 6.349 -30.456 51.902 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 5.456 -30.797 51.843 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 6.800 -30.833 51.146 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 11.885 -30.040 50.719 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 11.476 -29.225 50.427 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 12.605 -30.180 50.104 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 1.985 -32.495 48.131 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 2.459 -31.904 47.546 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 1.267 -31.964 48.478 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 8.931 -33.029 52.988 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 8.020 -32.972 53.277 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 9.436 -33.089 53.799 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 7.412 -31.400 49.471 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 8.344 -31.271 49.649 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 7.197 -30.730 48.822 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 6.086 -30.205 47.038 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 5.544 -30.585 46.347 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 6.920 -30.011 46.609 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 9.421 -25.640 48.974 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 8.677 -26.147 48.651 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 9.287 -25.591 49.920 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 14.037 -30.959 48.834 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 14.929 -31.096 49.153 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 14.094 -30.168 48.297 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 18.922 -30.749 48.528 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 18.368 -31.145 47.856 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 19.023 -29.839 48.251 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 8.701 -22.875 45.261 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 8.940 -23.623 44.713 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 8.432 -23.263 46.093 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 12.707 -33.738 49.603 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 12.927 -33.266 48.800 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 13.265 -33.343 50.274 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 9.907 -32.010 50.438 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 10.719 -31.506 50.484 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 9.662 -32.155 51.352 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 10.791 -34.929 51.376 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 10.444 -34.311 52.021 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 11.449 -34.428 50.895 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 6.448 -33.866 48.064 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 6.365 -32.977 48.410 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 7.338 -34.131 48.295 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 3.023 -30.774 46.240 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 2.978 -29.835 46.419 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 2.135 -31.010 45.970 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 6.298 -25.285 45.490 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 6.362 -26.079 46.021 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 6.951 -25.404 44.801 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 11.650 -24.238 45.226 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 11.382 -24.058 46.127 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 11.444 -25.164 45.095 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 7.447 -27.313 47.796 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 6.988 -27.797 48.482 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 7.702 -27.981 47.160 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 17.908 -26.715 45.504 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 17.635 -27.140 44.691 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 17.948 -25.784 45.287 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 19.029 -27.892 47.694 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 18.508 -27.535 46.975 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 18.996 -27.217 48.372 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 16.548 -29.272 51.866 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 16.398 -30.217 51.846 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 16.194 -28.991 52.710 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 16.258 -31.689 50.328 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 16.538 -32.596 50.453 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 17.017 -31.255 49.939 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 16.872 -34.426 50.377 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 17.054 -34.875 51.202 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 16.272 -35.011 49.913 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 18.002 -35.497 52.831 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 18.614 -36.011 52.304 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 18.385 -34.619 52.854 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 2.296 -36.311 48.010 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 2.735 -35.700 47.419 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 1.662 -35.773 48.484 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 14.949 -36.126 49.362 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 14.246 -35.512 49.152 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 14.504 -36.964 49.493 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 4.157 -34.395 46.453 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 4.648 -35.025 45.925 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 4.780 -34.099 47.116 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 9.183 -34.102 48.910 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 9.361 -34.748 49.593 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 9.129 -33.268 49.377 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 3.839 -9.227 0.609 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 3.881 -9.853 1.333 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 4.542 -8.604 0.791 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 6.156 -13.914 -2.978 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 6.199 -13.054 -3.396 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 5.698 -14.466 -3.611 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 2.776 -11.517 -2.216 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 3.430 -12.067 -1.784 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 2.800 -11.791 -3.132 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 7.535 -7.320 1.384 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 6.795 -6.722 1.487 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 8.249 -6.766 1.068 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 4.560 -13.104 -0.951 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 5.173 -12.471 -0.578 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 5.072 -13.576 -1.608 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 5.943 -5.356 2.171 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 5.937 -4.477 1.793 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 5.089 -5.439 2.596 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 6.677 -9.244 -0.483 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 7.242 -9.123 -1.246 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 6.996 -8.607 0.156 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 4.477 -8.647 3.463 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 4.547 -7.996 4.161 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 3.586 -8.544 3.128 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 1.393 -6.580 2.288 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 0.892 -6.608 1.473 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 1.399 -7.486 2.598 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 3.642 -5.257 3.331 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 3.859 -5.618 4.191 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 2.787 -5.631 3.121 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 10.924 -17.065 2.701 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 11.344 -17.480 3.454 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 9.991 -17.243 2.818 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 6.352 -11.821 0.422 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 5.710 -11.862 1.131 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 6.389 -10.895 0.184 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 6.349 -11.600 -4.666 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 5.456 -11.941 -4.725 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 6.800 -11.977 -5.422 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.987 -11.009 5.639 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 10.424 -11.713 5.959 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.813 -11.129 6.106 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 0.710 -14.385 -3.861 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 1.341 -14.414 -3.141 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 1.160 -14.810 -4.591 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 8.931 -14.173 -3.580 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 8.020 -14.116 -3.291 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 9.436 -14.233 -2.769 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 3.759 -12.544 -4.753 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 2.870 -12.444 -5.093 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 4.055 -13.386 -5.099 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 13.336 -14.938 -0.316 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 12.659 -14.807 0.348 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 12.850 -15.093 -1.126 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.221 -6.792 5.569 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 4.954 -6.538 6.130 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 3.441 -6.588 6.084 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 10.251 -11.385 -1.693 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 10.815 -11.932 -2.240 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 10.103 -11.907 -0.904 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 5.253 -15.249 -5.275 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 4.936 -16.151 -5.310 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 6.034 -15.247 -5.827 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 8.877 -12.997 0.721 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 8.042 -12.543 0.831 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 9.401 -12.721 1.473 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 1.554 -9.028 3.490 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 1.777 -9.446 4.322 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 0.952 -9.641 3.068 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 8.571 -9.511 5.703 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.275 -9.677 4.808 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 9.502 -9.731 5.693 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.923 -14.534 1.938 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 12.621 -14.460 2.588 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.542 -15.398 2.093 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 10.443 -12.168 3.055 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 10.562 -11.594 3.812 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 11.098 -12.856 3.170 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 10.791 -16.073 -5.192 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 10.444 -15.455 -4.547 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 11.449 -15.572 -5.673 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 16.647 -14.261 3.890 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 15.731 -13.998 3.802 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 16.983 -14.264 2.993 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 1.957 -6.773 6.790 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 2.101 -7.675 6.504 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 1.184 -6.487 6.302 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 8.612 -6.803 6.223 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 8.284 -6.532 5.365 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 8.764 -7.744 6.135 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 9.070 -9.400 2.399 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 9.821 -9.556 1.826 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 8.731 -8.548 2.123 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 13.486 -11.585 7.427 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 13.678 -12.516 7.316 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 14.343 -11.160 7.417 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 9.558 -13.061 6.154 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 9.322 -13.281 7.056 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.775 -13.268 5.645 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 12.274 -13.934 5.230 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 11.326 -13.902 5.362 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 12.586 -14.559 5.884 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 13.908 -15.300 7.235 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 13.811 -16.252 7.229 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 13.586 -15.031 8.096 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 8.869 -16.406 7.316 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 8.738 -16.882 6.495 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 8.270 -15.662 7.260 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 1.583 -8.338 -0.692 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 1.767 -8.420 -1.627 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 2.432 -8.462 -0.268 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 19.182 -17.535 7.326 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 19.532 -18.189 6.720 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 19.329 -16.698 6.886 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.402 -14.755 -1.660 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.847 -15.547 -1.358 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 2.868 -14.039 -1.229 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 0.706 -11.756 -0.591 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 1.198 -11.977 -1.381 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 1.068 -10.915 -0.310 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 18.702 -15.426 5.675 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 17.785 -15.155 5.639 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 18.825 -15.961 4.891 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 17.703 -17.336 3.494 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 16.890 -17.011 3.106 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 17.936 -18.096 2.961 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 11.133 -15.887 -2.183 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 10.458 -16.516 -1.928 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 11.697 -16.371 -2.786 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 3.459 -17.253 -4.361 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 2.682 -17.487 -4.869 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 3.990 -18.050 -4.353 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 8.039 -17.326 -4.548 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 8.913 -16.938 -4.578 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 7.903 -17.541 -3.625 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 13.596 -17.296 -2.899 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 13.672 -17.201 -3.848 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 13.320 -18.204 -2.770 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 11.471 -8.842 17.872 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 11.433 -9.488 18.577 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 11.148 -9.308 17.101 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.839 -9.227 19.465 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 3.881 -9.853 20.189 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.542 -8.604 19.647 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 1.373 -11.117 13.393 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 0.925 -10.271 13.375 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 0.812 -11.697 12.878 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 2.083 -8.955 15.519 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 2.297 -9.725 16.046 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 2.821 -8.866 14.916 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 18.523 -14.808 19.139 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 18.572 -14.198 19.875 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 18.949 -14.347 18.416 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 13.001 -12.015 18.606 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 13.144 -12.962 18.626 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 12.895 -11.808 17.677 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 6.156 -13.914 15.878 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.199 -13.054 15.460 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 5.698 -14.466 15.245 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 13.878 -13.783 14.279 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 14.524 -14.112 14.904 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 14.388 -13.265 13.656 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 7.932 -9.967 15.856 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 8.548 -10.493 16.365 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.346 -10.607 15.452 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 18.915 -13.330 21.375 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 18.226 -12.672 21.280 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 18.930 -13.527 22.312 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 4.966 -14.996 19.952 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 4.747 -14.466 19.186 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 4.298 -14.769 20.600 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 11.313 -10.395 8.944 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 12.014 -10.373 9.595 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 11.615 -11.023 8.288 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 18.628 -9.475 20.199 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 17.976 -8.780 20.288 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 19.093 -9.265 19.389 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 14.562 -10.469 21.925 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 14.642 -9.706 22.497 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 13.961 -10.190 21.234 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 6.677 -9.244 18.373 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 7.242 -9.123 17.610 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 6.996 -8.607 19.012 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 13.536 -9.481 10.542 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 14.115 -9.331 11.289 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 13.950 -9.010 9.819 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 4.477 -8.647 22.319 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 4.547 -7.996 23.017 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 3.586 -8.544 21.984 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 5.300 -8.943 12.329 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 5.008 -8.175 11.838 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 4.626 -9.603 12.166 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 16.493 -11.641 24.190 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 16.086 -11.160 23.470 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 16.534 -12.546 23.883 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 6.261 -16.787 18.183 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 5.400 -16.874 17.775 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 6.239 -15.931 18.610 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 6.352 -11.821 19.278 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 5.710 -11.862 19.987 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 6.389 -10.895 19.040 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 6.349 -11.600 14.190 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 5.456 -11.941 14.131 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 6.800 -11.977 13.434 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 11.885 -11.184 13.007 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 11.476 -10.369 12.715 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 12.605 -11.324 12.392 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 10.987 -11.009 24.495 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 10.424 -11.713 24.815 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 11.813 -11.129 24.962 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.889 -11.738 15.821 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 12.694 -11.133 15.106 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 13.071 -12.572 15.386 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 4.102 -11.501 21.145 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 4.064 -11.101 22.013 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 3.611 -12.318 21.235 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 7.468 -14.127 7.943 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 7.037 -14.572 8.673 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 6.750 -13.755 7.431 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 12.153 -10.100 20.492 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 12.477 -10.731 19.849 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 11.713 -10.635 21.153 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 8.931 -14.173 15.276 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 8.020 -14.116 15.565 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 9.436 -14.233 16.087 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 7.412 -12.544 11.759 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 8.344 -12.415 11.937 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 7.197 -11.874 11.110 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 6.086 -11.349 9.326 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 5.544 -11.729 8.635 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.920 -11.155 8.897 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 4.221 -6.792 24.425 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 4.954 -6.538 24.986 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 3.441 -6.588 24.940 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 10.251 -11.385 17.163 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 10.815 -11.932 16.616 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 10.103 -11.907 17.952 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 5.253 -15.249 13.581 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 4.936 -16.151 13.546 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 6.034 -15.247 13.029 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 8.877 -12.997 19.577 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 8.042 -12.543 19.687 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 9.401 -12.721 20.329 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 13.319 -13.970 9.461 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 12.381 -13.858 9.310 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 13.616 -13.113 9.767 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 14.037 -12.103 11.122 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 14.929 -12.240 11.441 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 14.094 -11.312 10.585 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 4.546 -7.489 17.031 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 5.291 -7.491 16.430 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 4.624 -8.313 17.513 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 1.554 -9.028 22.346 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 1.777 -9.446 23.178 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 0.952 -9.641 21.924 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 8.571 -9.511 24.559 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 8.275 -9.677 23.664 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 9.502 -9.731 24.549 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 18.922 -11.893 10.816 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 18.368 -12.289 10.144 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 19.023 -10.983 10.539 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 18.886 -6.093 23.653 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 18.034 -5.855 23.286 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 19.476 -6.110 22.900 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 2.676 -9.109 9.023 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 3.292 -8.482 9.402 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 1.814 -8.793 9.294 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 3.188 -14.275 21.904 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 2.295 -13.936 21.837 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 3.089 -15.130 22.322 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 4.091 -7.196 10.515 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 3.405 -6.844 11.082 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 4.614 -6.433 10.269 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 9.907 -13.154 12.726 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 10.719 -12.650 12.772 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 9.662 -13.299 13.640 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 6.448 -15.010 10.352 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 6.365 -14.121 10.698 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 7.338 -15.275 10.583 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 15.249 -10.510 16.842 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 14.452 -10.925 16.513 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 15.694 -11.201 17.333 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 6.298 -6.429 7.778 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 6.362 -7.223 8.309 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 6.951 -6.548 7.089 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 8.612 -6.803 25.079 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 8.284 -6.532 24.221 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 8.764 -7.744 24.991 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 2.789 -9.573 25.066 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 3.197 -10.430 24.945 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 2.529 -9.558 25.987 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 7.447 -8.457 10.084 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 6.988 -8.941 10.770 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 7.702 -9.125 9.448 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 6.736 -10.564 22.440 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 6.118 -9.889 22.721 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 7.080 -10.243 21.607 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 8.518 -10.214 8.347 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 8.338 -10.368 7.419 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 9.469 -10.106 8.391 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 11.756 -8.093 25.718 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 12.709 -8.009 25.690 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 11.596 -8.804 26.337 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 9.070 -9.400 21.255 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 9.821 -9.556 20.682 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 8.731 -8.548 20.979 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 13.486 -11.585 26.283 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 13.678 -12.516 26.172 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 14.343 -11.160 26.273 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 14.802 -8.796 24.361 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 14.521 -8.087 23.783 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 15.745 -8.869 24.210 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 17.378 -11.796 8.533 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 17.475 -11.129 7.853 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 17.238 -12.612 8.051 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 16.548 -10.416 14.154 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 16.398 -11.361 14.134 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 16.194 -10.135 14.998 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 1.583 -8.338 18.164 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 1.767 -8.420 17.229 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 2.432 -8.462 18.588 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 17.404 -8.446 23.793 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 17.987 -9.180 23.984 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 17.968 -7.674 23.839 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 18.901 -10.543 24.477 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 18.038 -10.922 24.312 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 19.505 -11.282 24.403 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 16.626 -14.388 7.650 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.236 -14.760 8.287 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 15.789 -14.810 7.846 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 16.258 -12.833 12.616 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 16.538 -13.740 12.741 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 17.017 -12.399 12.227 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 16.870 -12.252 18.052 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 17.803 -12.040 18.018 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 16.635 -12.150 18.975 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 16.899 -11.515 20.828 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 16.056 -11.247 21.194 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 17.342 -10.693 20.617 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 1.181 -13.067 24.305 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 2.100 -13.189 24.541 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 0.731 -13.817 24.694 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 0.706 -11.756 18.265 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 1.198 -11.977 17.475 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 1.068 -10.915 18.546 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 18.738 -15.503 9.193 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 19.151 -16.224 8.717 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 19.420 -14.833 9.251 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 12.538 -8.097 33.309 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 12.627 -7.153 33.177 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 11.899 -8.372 32.651 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 1.373 -11.117 32.249 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 0.925 -10.271 32.231 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 0.812 -11.697 31.734 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 18.523 -14.808 37.995 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 18.572 -14.198 38.731 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 18.949 -14.347 37.272 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 13.001 -12.015 37.462 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 13.144 -12.962 37.482 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 12.895 -11.808 36.533 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 6.156 -13.914 34.734 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 6.199 -13.054 34.316 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 5.698 -14.466 34.101 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 18.915 -13.330 40.231 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 18.226 -12.672 40.136 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 18.930 -13.527 41.168 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 4.966 -14.996 38.808 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 4.747 -14.466 38.042 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 4.298 -14.769 39.456 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 4.560 -13.104 36.761 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 5.173 -12.471 37.134 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 5.072 -13.576 36.104 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 8.992 -17.690 36.261 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 8.875 -18.639 36.207 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 8.137 -17.358 36.534 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 11.259 -8.853 30.761 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 10.547 -8.318 30.410 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 11.950 -8.797 30.101 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 11.313 -10.395 27.800 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 12.014 -10.373 28.451 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 11.615 -11.023 27.144 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 14.665 -8.643 31.713 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 13.933 -8.415 32.286 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 15.112 -9.357 32.168 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 13.536 -9.481 29.398 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 14.115 -9.331 30.145 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 13.950 -9.010 28.675 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 5.300 -8.943 31.185 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 5.008 -8.175 30.694 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 4.626 -9.603 31.022 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 6.261 -16.787 37.039 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 5.400 -16.874 36.631 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 6.239 -15.931 37.466 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 10.924 -17.065 40.413 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 11.344 -17.480 41.166 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 9.991 -17.243 40.530 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 14.250 -13.309 41.267 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 13.736 -13.435 42.064 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 14.095 -12.397 41.022 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 15.013 -8.448 27.028 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 15.055 -8.671 26.098 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 15.862 -8.050 27.218 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 6.349 -11.600 33.046 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 5.456 -11.941 32.987 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 6.800 -11.977 32.290 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 11.885 -11.184 31.863 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 11.476 -10.369 31.571 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 12.605 -11.324 31.248 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 12.889 -11.738 34.677 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 12.694 -11.133 33.962 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 13.071 -12.572 34.242 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 0.710 -14.385 33.851 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 1.341 -14.414 34.571 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 1.160 -14.810 33.121 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 1.985 -13.639 29.275 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 2.459 -13.048 28.690 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 1.267 -13.108 29.622 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 8.931 -14.173 34.132 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 8.020 -14.116 34.421 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 9.436 -14.233 34.943 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 3.759 -12.544 32.959 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 2.870 -12.444 32.619 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 4.055 -13.386 32.613 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 7.412 -12.544 30.615 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 8.344 -12.415 30.793 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 7.197 -11.874 29.966 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 13.336 -14.938 37.396 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 12.659 -14.807 38.060 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 12.850 -15.093 36.586 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 2.676 -9.109 27.879 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 3.292 -8.482 28.258 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 1.814 -8.793 28.150 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 15.476 -6.458 30.184 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 15.199 -7.186 30.740 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 16.403 -6.339 30.390 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 11.923 -14.534 39.650 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 12.621 -14.460 40.300 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 11.542 -15.398 39.805 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 16.647 -14.261 41.602 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.731 -13.998 41.514 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 16.983 -14.264 40.705 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 15.249 -10.510 35.698 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 14.452 -10.925 35.369 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 15.694 -11.201 36.189 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 3.023 -11.918 27.384 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 2.978 -10.979 27.563 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 2.135 -12.154 27.114 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 3.831 -17.136 36.057 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 3.602 -17.077 35.130 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 3.388 -17.928 36.364 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 6.298 -6.429 26.634 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 6.362 -7.223 27.165 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 6.951 -6.548 25.945 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 7.447 -8.457 28.940 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 6.988 -8.941 29.626 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 7.702 -9.125 28.304 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 8.518 -10.214 27.203 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 8.338 -10.368 26.275 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 9.469 -10.106 27.247 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 17.908 -7.859 26.648 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 17.635 -8.284 25.835 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 17.948 -6.928 26.431 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 8.294 -17.383 40.303 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 8.196 -16.436 40.197 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 7.551 -17.755 39.827 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 18.367 -6.990 30.623 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 19.217 -6.569 30.751 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 18.372 -7.730 31.231 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 18.761 -8.937 32.447 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 18.035 -9.416 32.845 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 19.342 -8.731 33.179 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 19.029 -9.036 28.838 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 18.508 -8.679 28.119 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 18.996 -8.361 29.516 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 16.548 -10.416 33.010 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 16.398 -11.361 32.990 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 16.194 -10.135 33.854 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 16.870 -12.252 36.908 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 17.803 -12.040 36.874 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 16.635 -12.150 37.831 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 16.899 -11.515 39.684 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 16.056 -11.247 40.050 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 17.342 -10.693 39.473 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 2.402 -14.755 36.052 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 2.847 -15.547 36.354 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 2.868 -14.039 36.483 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 17.703 -17.336 41.206 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 16.890 -17.011 40.818 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.936 -18.096 40.673 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 11.133 -15.887 35.529 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 10.458 -16.516 35.784 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 11.697 -16.371 34.926 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 22.695 -46.939 19.465 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 22.737 -47.565 20.189 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 23.398 -46.316 19.647 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 20.939 -46.667 15.519 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 21.153 -47.437 16.046 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 21.677 -46.578 14.916 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 28.716 -44.121 18.278 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 29.020 -44.807 17.684 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 29.438 -44.003 18.896 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 26.391 -45.032 20.240 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 25.651 -44.434 20.343 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 27.105 -44.478 19.924 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 20.920 -43.397 11.809 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 20.648 -43.168 10.920 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 20.965 -42.559 12.269 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 25.166 -45.725 14.740 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 24.836 -46.095 13.921 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 25.754 -46.395 15.086 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 25.533 -46.956 18.373 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 26.098 -46.835 17.610 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 25.852 -46.319 19.012 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 31.842 -41.453 19.107 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 31.601 -40.791 19.755 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 31.644 -42.287 19.532 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 26.413 -42.557 23.090 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 26.101 -41.775 23.546 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 25.763 -42.710 22.404 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 23.333 -46.359 22.319 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 23.403 -45.708 23.017 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 22.442 -46.256 21.984 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 20.249 -44.292 21.144 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 19.748 -44.320 20.329 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 20.255 -45.198 21.454 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 29.176 -41.272 22.586 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 29.263 -40.446 23.061 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 28.312 -41.602 22.835 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 23.244 -38.711 14.173 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 23.396 -39.059 15.052 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 22.393 -39.067 13.918 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 29.797 -44.312 22.499 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 29.451 -44.693 23.305 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 29.597 -43.378 22.570 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 23.402 -45.201 17.031 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 24.147 -45.203 16.430 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 23.480 -46.025 17.513 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 20.410 -46.740 22.346 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 20.633 -47.158 23.178 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 19.808 -47.353 21.924 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 27.427 -47.223 24.559 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 27.131 -47.389 23.664 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 28.358 -47.443 24.549 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 25.777 -41.683 14.436 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 26.304 -40.910 14.235 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 24.897 -41.458 14.134 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 27.204 -44.020 14.012 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 26.963 -43.095 14.054 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 26.464 -44.479 14.408 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 25.888 -38.998 13.557 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 24.938 -38.893 13.609 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 26.239 -38.178 13.902 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 31.263 -43.772 20.028 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 30.837 -43.999 20.854 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 31.844 -44.510 19.845 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 21.617 -40.908 13.362 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 20.785 -40.435 13.389 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 22.163 -40.398 12.763 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 20.813 -44.485 25.646 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 20.957 -45.387 25.360 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 20.040 -44.199 25.158 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 27.468 -44.515 25.079 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 27.140 -44.244 24.221 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 27.620 -45.456 24.991 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 21.645 -47.285 25.066 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 22.053 -48.142 24.945 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 21.385 -47.270 25.987 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 27.926 -47.112 21.255 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 28.677 -47.268 20.682 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 27.587 -46.260 20.979 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 20.439 -46.050 18.164 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 20.623 -46.132 17.229 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 21.288 -46.174 18.588 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 29.296 -38.923 24.026 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 29.481 -39.257 24.904 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 30.143 -38.614 23.704 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 29.565 -37.578 19.320 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 29.108 -37.049 18.666 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 29.728 -36.975 20.045 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 31.892 -38.700 20.265 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 30.988 -38.535 19.999 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 32.321 -37.847 20.199 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 21.053 -39.219 11.196 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 20.368 -39.257 10.528 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 21.056 -38.306 11.484 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 22.871 -38.299 8.221 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 22.603 -38.012 9.094 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 23.642 -38.845 8.373 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 22.695 -46.939 38.321 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 22.737 -47.565 39.045 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 23.398 -46.316 38.503 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 23.619 -42.489 36.856 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 23.249 -43.291 36.487 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 24.560 -42.658 36.903 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 20.229 -48.829 32.249 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 19.781 -47.983 32.231 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 19.668 -49.409 31.734 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 20.939 -46.667 34.375 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 21.153 -47.437 34.902 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 21.677 -46.578 33.772 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 21.632 -49.229 35.496 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 22.286 -49.779 35.928 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 21.656 -49.503 34.580 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 26.788 -47.679 34.712 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 27.404 -48.205 35.221 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 26.202 -48.319 34.308 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 24.799 -43.068 39.883 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 24.793 -42.189 39.505 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 23.945 -43.151 40.308 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 25.166 -45.725 33.596 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 24.836 -46.095 32.777 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 25.754 -46.395 33.942 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 26.533 -42.297 36.277 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 26.438 -42.875 35.520 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 27.262 -42.668 36.773 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 25.533 -46.956 37.229 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 26.098 -46.835 36.466 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 25.852 -46.319 37.868 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 23.333 -46.359 41.175 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 23.403 -45.708 41.873 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 22.442 -46.256 40.840 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 24.652 -40.485 42.710 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 24.660 -40.621 41.762 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 23.736 -40.603 42.962 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 24.156 -46.655 31.185 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 23.864 -45.887 30.694 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 23.482 -47.315 31.022 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 22.498 -42.969 41.043 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 22.715 -43.330 41.903 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 21.643 -43.343 40.833 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 23.077 -44.504 43.281 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 23.810 -44.250 43.842 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 22.297 -44.300 43.796 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 28.277 -44.496 30.118 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 27.533 -45.003 29.795 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 28.143 -44.447 31.064 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 23.402 -45.201 35.887 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 24.147 -45.203 35.286 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 23.480 -46.025 36.369 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 30.403 -43.037 29.143 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 30.108 -42.211 29.525 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 29.700 -43.657 29.339 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 20.410 -46.740 41.202 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 20.633 -47.158 42.034 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 19.808 -47.353 40.780 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 25.777 -41.683 33.292 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 26.304 -40.910 33.091 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 24.897 -41.458 32.990 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 21.532 -46.821 27.879 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 22.148 -46.194 28.258 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 20.670 -46.505 28.150 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 27.204 -44.020 32.868 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 26.963 -43.095 32.910 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 26.464 -44.479 33.264 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 25.888 -38.998 32.413 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 24.938 -38.893 32.465 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 26.239 -38.178 32.758 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 26.494 -42.161 28.861 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 26.641 -42.681 29.651 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 26.491 -41.254 29.167 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 22.947 -44.908 29.371 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 22.261 -44.556 29.938 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 23.470 -44.145 29.125 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 29.232 -40.463 29.610 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 28.415 -39.966 29.663 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 29.761 -39.988 28.970 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 26.570 -39.420 29.592 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 26.731 -38.620 29.091 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 26.373 -39.113 30.477 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 25.503 -39.376 45.168 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 26.271 -39.835 45.509 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 25.482 -39.602 44.238 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 29.595 -39.868 26.543 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 28.951 -40.499 26.865 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 30.357 -40.399 26.311 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 20.813 -44.485 44.502 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 20.957 -45.387 44.216 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 20.040 -44.199 44.014 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 30.506 -43.094 26.370 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 30.238 -42.914 27.271 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 30.300 -44.020 26.239 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 21.645 -47.285 43.922 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.053 -48.142 43.801 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 21.385 -47.270 44.843 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 26.303 -46.169 28.940 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 25.844 -46.653 29.626 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.558 -46.837 28.304 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 27.272 -37.235 28.204 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 28.205 -37.077 28.348 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 27.008 -36.560 27.579 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 20.439 -46.050 37.020 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 20.623 -46.132 36.085 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 21.288 -46.174 37.444 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 19.562 -49.468 37.121 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 20.054 -49.689 36.331 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 19.924 -48.627 37.402 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 22.031 -41.297 43.664 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 21.210 -41.122 43.204 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 21.779 -41.370 44.585 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 24.985 -40.322 39.923 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 24.560 -39.513 39.640 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 25.890 -40.237 39.621 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 22.387 -37.066 39.970 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 21.667 -36.626 39.519 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 22.021 -37.317 40.819 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 24.854 -37.466 39.000 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 23.989 -37.394 39.404 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 24.799 -36.919 38.216 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 21.802 -38.443 36.881 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 21.783 -38.868 37.738 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 22.607 -38.761 36.472 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 23.943 -39.733 35.536 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 23.724 -40.649 35.705 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 24.767 -39.593 36.002 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 26.480 -39.263 36.384 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 26.693 -40.151 36.097 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 26.545 -39.297 37.339 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 29.917 -38.009 28.449 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 30.783 -37.643 28.271 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 29.670 -38.449 27.636 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 23.244 -38.711 51.885 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 23.396 -39.059 52.764 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 22.393 -39.067 51.630 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 25.888 -38.998 51.269 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 24.938 -38.893 51.321 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 26.239 -38.178 51.614 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 26.570 -39.420 48.448 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 26.731 -38.620 47.947 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 26.373 -39.113 49.333 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 23.563 -42.294 47.124 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 24.155 -41.595 47.400 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 24.022 -42.727 46.405 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 21.617 -40.908 51.074 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 20.785 -40.435 51.101 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 22.163 -40.398 50.475 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 27.272 -37.235 47.060 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 28.205 -37.077 47.204 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 27.008 -36.560 46.435 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 20.840 -42.599 46.543 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 21.754 -42.520 46.816 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 20.847 -43.286 45.876 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 19.489 -37.206 51.620 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 18.842 -37.668 51.087 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 19.844 -37.878 52.203 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 20.359 -39.125 53.425 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 20.025 -40.006 53.597 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 20.581 -38.780 54.289 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 21.053 -39.219 48.908 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 20.368 -39.257 48.240 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 21.056 -38.306 49.196 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 22.871 -38.299 45.933 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 22.603 -38.012 46.806 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 23.642 -38.845 46.085 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 22.695 -28.083 0.609 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 22.737 -28.709 1.333 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 23.398 -27.460 0.791 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 23.333 -27.503 3.463 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 23.403 -26.852 4.161 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 22.442 -27.400 3.128 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 20.249 -25.436 2.288 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 19.748 -25.464 1.473 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 20.255 -26.342 2.598 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 20.000 -22.656 -0.828 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 20.946 -22.800 -0.847 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 19.887 -21.872 -0.291 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 22.498 -24.113 3.331 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 22.715 -24.474 4.191 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 21.643 -24.487 3.121 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 23.077 -25.648 5.569 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 23.810 -25.394 6.130 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 22.297 -25.444 6.084 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 20.410 -27.884 3.490 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 20.633 -28.302 4.322 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 19.808 -28.497 3.068 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 21.695 -21.326 1.483 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 21.912 -22.258 1.452 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 21.942 -21.052 2.367 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 20.906 -19.439 5.836 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 21.446 -19.656 6.595 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.425 -20.245 5.646 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 20.813 -25.629 6.790 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 20.957 -26.531 6.504 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 20.040 -25.343 6.302 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 21.645 -28.429 6.210 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 22.053 -29.286 6.089 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.385 -28.414 7.131 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 22.591 -32.946 6.283 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 22.802 -33.653 5.672 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 22.479 -33.384 7.127 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 20.439 -27.194 -0.692 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 20.623 -27.276 -1.627 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 21.288 -27.318 -0.268 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 20.037 -31.923 5.449 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 20.956 -32.045 5.685 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 19.587 -32.673 5.838 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 19.562 -30.612 -0.591 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 20.054 -30.833 -1.381 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.924 -29.771 -0.310 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 22.031 -22.441 5.952 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 21.210 -22.266 5.492 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 21.779 -22.514 6.873 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 31.394 -26.953 14.453 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 31.483 -26.009 14.321 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 30.755 -27.228 13.795 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 30.327 -27.698 17.872 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 30.289 -28.344 18.577 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 30.004 -28.164 17.101 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 34.033 -24.759 16.174 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 33.592 -25.479 16.624 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 34.020 -24.038 16.804 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 20.229 -29.973 13.393 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.781 -29.127 13.375 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 19.668 -30.553 12.878 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 31.144 -19.654 16.386 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 31.764 -20.331 16.113 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 30.936 -19.872 17.294 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 25.012 -32.770 15.878 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 25.055 -31.910 15.460 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 24.554 -33.322 15.245 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 26.788 -28.823 15.856 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 27.404 -29.349 16.365 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 26.202 -29.463 15.452 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 31.191 -24.352 13.496 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 30.895 -24.674 12.645 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 30.867 -23.452 13.538 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.416 -31.960 17.905 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 24.029 -31.327 18.278 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 23.928 -32.432 17.248 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 34.545 -22.919 18.522 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 33.603 -22.861 18.683 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 34.821 -22.013 18.385 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 27.848 -36.546 17.405 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 27.731 -37.495 17.351 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 26.993 -36.214 17.678 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 32.797 -21.138 15.147 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 33.222 -21.845 14.662 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 33.114 -20.337 14.730 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 25.533 -28.100 18.373 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 26.098 -27.979 17.610 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 25.852 -27.463 19.012 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 31.842 -22.597 19.107 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 31.601 -21.935 19.755 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 31.644 -23.431 19.532 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 30.118 -21.600 13.977 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 30.592 -21.305 14.755 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 29.555 -20.862 13.744 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 24.156 -27.799 12.329 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 23.864 -27.031 11.838 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 23.482 -28.459 12.166 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 29.590 -18.644 12.392 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 29.515 -18.765 11.446 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 29.623 -17.694 12.511 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 29.780 -35.921 21.557 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 30.200 -36.336 22.310 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 28.847 -36.099 21.674 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 25.208 -30.677 19.278 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 24.566 -30.718 19.987 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 25.245 -29.751 19.040 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 25.205 -30.456 14.190 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 24.312 -30.797 14.131 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 25.656 -30.833 13.434 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 29.843 -29.865 24.495 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 29.280 -30.569 24.815 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 30.669 -29.985 24.962 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 20.841 -32.495 10.419 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 21.315 -31.904 9.834 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 20.123 -31.964 10.766 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 31.009 -28.956 20.492 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 31.333 -29.587 19.849 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 30.569 -29.491 21.153 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 27.787 -33.029 15.276 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 26.876 -32.972 15.565 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 28.292 -33.089 16.087 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 22.615 -31.400 14.103 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 21.726 -31.300 13.763 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 22.911 -32.242 13.757 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 26.268 -31.400 11.759 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 27.200 -31.271 11.937 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 26.053 -30.730 11.110 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 24.942 -30.205 9.326 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 24.400 -30.585 8.635 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 25.776 -30.011 8.897 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 35.479 -18.122 24.817 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 35.679 -17.698 23.982 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 36.135 -17.779 25.424 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 29.107 -30.241 17.163 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 29.671 -30.788 16.616 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.959 -30.763 17.952 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 24.109 -34.105 13.581 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.792 -35.007 13.546 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 24.890 -34.103 13.029 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 27.733 -31.853 19.577 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 26.898 -31.399 19.687 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.257 -31.577 20.329 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 28.277 -25.640 11.262 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 27.533 -26.147 10.939 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 28.143 -25.591 12.208 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 29.797 -25.456 22.499 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 29.451 -25.837 23.305 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 29.597 -24.522 22.570 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 27.427 -28.367 24.559 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 27.131 -28.533 23.664 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 28.358 -28.587 24.549 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 32.047 -22.994 22.449 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 31.146 -22.811 22.181 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 32.081 -22.735 23.370 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 33.234 -27.155 18.303 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 32.306 -27.387 18.276 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 33.685 -27.932 17.973 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 21.532 -27.965 9.023 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 22.148 -27.338 9.402 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 20.670 -27.649 9.294 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 27.204 -25.164 14.012 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 26.963 -24.239 14.054 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 26.464 -25.623 14.408 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 25.888 -20.142 13.557 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 24.938 -20.037 13.609 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 26.239 -19.322 13.902 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 31.263 -24.916 20.028 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 30.837 -25.143 20.854 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 31.844 -25.654 19.845 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 33.922 -20.364 22.497 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 33.320 -20.919 22.002 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 34.203 -19.697 21.871 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 26.494 -23.305 10.005 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 26.641 -23.825 10.795 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 26.491 -22.398 10.311 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 22.947 -26.052 10.515 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 22.261 -25.700 11.082 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 23.470 -25.289 10.269 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 29.232 -21.607 10.754 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 28.415 -21.110 10.807 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 29.761 -21.132 10.114 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 29.299 -31.024 21.911 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 29.418 -30.450 22.668 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 29.954 -31.712 22.026 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 26.570 -20.564 10.736 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.731 -19.764 10.235 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 26.373 -20.257 11.621 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 23.563 -23.438 9.412 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 24.155 -22.739 9.688 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 24.022 -23.871 8.693 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 21.879 -30.774 8.528 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 21.834 -29.835 8.707 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 20.991 -31.010 8.258 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 25.503 -20.520 26.312 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 26.271 -20.979 26.653 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 25.482 -20.746 25.382 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 32.080 -22.140 25.041 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 31.729 -22.996 25.284 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 32.806 -21.997 25.648 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 27.468 -25.659 25.079 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 27.140 -25.388 24.221 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 27.620 -26.600 24.991 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 33.203 -25.743 22.462 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 33.948 -25.155 22.342 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 32.446 -25.161 22.525 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 26.303 -27.313 10.084 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 25.844 -27.797 10.770 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 26.558 -27.981 9.448 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.932 -32.065 23.523 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 26.082 -32.794 22.920 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 25.934 -31.288 22.964 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 26.344 -33.695 21.015 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 26.880 -33.244 20.363 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.492 -33.803 20.593 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 27.926 -28.256 21.255 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 28.677 -28.412 20.682 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 27.587 -27.404 20.979 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 27.150 -36.239 21.447 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 27.052 -35.292 21.341 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 26.407 -36.611 20.971 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 28.414 -31.917 25.010 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 28.178 -32.137 25.912 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 27.631 -32.124 24.501 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 27.372 -36.945 24.118 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 28.084 -37.585 24.104 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 27.271 -36.678 23.204 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 27.725 -35.262 26.172 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 27.594 -35.738 25.351 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 27.126 -34.518 26.116 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 20.840 -23.743 8.831 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 21.754 -23.664 9.104 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.847 -24.430 8.164 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 29.296 -20.067 24.026 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 29.481 -20.401 24.904 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 30.143 -19.758 23.704 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 31.641 -18.782 23.270 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 32.318 -19.414 23.030 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 31.963 -18.380 24.078 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 31.892 -19.844 20.265 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 30.988 -19.679 19.999 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 32.321 -18.991 20.199 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 21.152 -36.311 10.298 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 21.591 -35.700 9.707 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 20.518 -35.773 10.772 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 26.895 -36.182 14.308 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 27.769 -35.794 14.278 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 26.759 -36.397 15.231 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 23.013 -34.395 8.741 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 23.504 -35.025 8.213 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 23.636 -34.099 9.404 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.871 -19.443 8.221 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 22.603 -19.156 9.094 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 23.642 -19.989 8.373 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 22.695 -28.083 38.321 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 22.737 -28.709 39.045 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 23.398 -27.460 38.503 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 23.619 -23.633 36.856 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 23.249 -24.435 36.487 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 24.560 -23.802 36.903 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 20.939 -27.811 34.375 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 21.153 -28.581 34.902 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 21.677 -27.722 33.772 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 31.144 -19.654 35.242 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 31.764 -20.331 34.969 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 30.936 -19.872 36.150 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 25.012 -32.770 34.734 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 25.055 -31.910 34.316 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 24.554 -33.322 34.101 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 26.788 -28.823 34.712 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 27.404 -29.349 35.221 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 26.202 -29.463 34.308 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 23.822 -33.852 38.808 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 23.603 -33.322 38.042 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 23.154 -33.625 39.456 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 23.416 -31.960 36.761 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 24.029 -31.327 37.134 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 23.928 -32.432 36.104 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 27.848 -36.546 36.261 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 27.731 -37.495 36.207 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 26.993 -36.214 36.534 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 25.166 -26.869 33.596 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 24.836 -27.239 32.777 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 25.754 -27.539 33.942 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 26.533 -23.441 36.277 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 26.438 -24.019 35.520 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 27.262 -23.812 36.773 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 25.533 -28.100 37.229 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 26.098 -27.979 36.466 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 25.852 -27.463 37.868 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 30.118 -21.600 32.833 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 30.592 -21.305 33.611 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 29.555 -20.862 32.600 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 20.249 -25.436 40.000 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 19.748 -25.464 39.185 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.255 -26.342 40.310 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 20.000 -22.656 36.884 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 20.946 -22.800 36.865 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 19.887 -21.872 37.421 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 29.590 -18.644 31.248 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 29.515 -18.765 30.302 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 29.623 -17.694 31.367 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 23.244 -19.855 33.029 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 23.396 -20.203 33.908 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 22.393 -20.211 32.774 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 32.692 -19.490 28.251 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 33.067 -20.234 27.780 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 32.696 -19.760 29.169 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 32.361 -19.564 31.000 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 31.426 -19.464 31.179 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 32.641 -20.273 31.578 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 25.117 -35.643 37.039 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 24.256 -35.730 36.631 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 25.095 -34.787 37.466 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 29.442 -33.428 27.698 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 29.188 -33.409 28.621 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 29.185 -34.300 27.397 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 25.208 -30.677 38.134 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 24.566 -30.718 38.843 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 25.245 -29.751 37.896 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 25.205 -30.456 33.046 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.312 -30.797 32.987 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 25.656 -30.833 32.290 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 22.958 -30.357 40.001 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 22.920 -29.957 40.869 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 22.467 -31.174 40.091 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 26.324 -32.983 26.799 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.893 -33.428 27.529 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 25.606 -32.611 26.287 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 27.787 -33.029 34.132 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 26.876 -32.972 34.421 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 28.292 -33.089 34.943 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 26.268 -31.400 30.615 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 27.200 -31.271 30.793 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 26.053 -30.730 29.966 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.942 -30.205 28.182 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 24.400 -30.585 27.491 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 25.776 -30.011 27.753 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 28.277 -25.640 30.118 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 27.533 -26.147 29.795 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 28.143 -25.591 31.064 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 23.402 -26.345 35.887 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 24.147 -26.347 35.286 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 23.480 -27.169 36.369 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 25.777 -22.827 33.292 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 26.304 -22.054 33.091 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.897 -22.602 32.990 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 27.204 -25.164 32.868 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 26.963 -24.239 32.910 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 26.464 -25.623 33.264 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 27.719 -21.015 39.183 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 28.082 -20.160 38.950 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 28.251 -21.307 39.924 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 25.888 -20.142 32.413 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 24.938 -20.037 32.465 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.239 -19.322 32.758 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 22.044 -33.131 40.760 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 21.151 -32.792 40.693 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 21.945 -33.986 41.178 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 21.695 -21.326 39.195 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 21.912 -22.258 39.164 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 21.942 -21.052 40.079 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 27.557 -22.875 26.405 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 27.796 -23.623 25.857 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 27.288 -23.263 27.237 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 26.494 -23.305 28.861 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 26.641 -23.825 29.651 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 26.491 -22.398 29.167 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 29.232 -21.607 29.610 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 28.415 -21.110 29.663 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 29.761 -21.132 28.970 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 28.763 -32.010 31.582 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 29.575 -31.506 31.628 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 28.518 -32.155 32.496 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 26.570 -20.564 29.592 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 26.731 -19.764 29.091 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 26.373 -20.257 30.477 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 25.304 -33.866 29.208 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 25.221 -32.977 29.554 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 26.194 -34.131 29.439 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 22.687 -35.992 36.057 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 22.458 -35.933 35.130 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.244 -36.784 36.364 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 29.595 -21.012 26.543 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 28.951 -21.643 26.865 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 30.357 -21.543 26.311 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 34.199 -21.195 26.777 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 34.482 -21.989 27.230 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 34.939 -20.962 26.216 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 25.154 -25.285 26.634 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 25.218 -26.079 27.165 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 25.807 -25.404 25.945 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 21.645 -28.429 43.922 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 22.053 -29.286 43.801 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 21.385 -28.414 44.843 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 26.303 -27.313 28.940 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 25.844 -27.797 29.626 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 26.558 -27.981 28.304 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 27.374 -29.070 27.203 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 27.194 -29.224 26.275 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 28.325 -28.962 27.247 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 24.410 -30.867 44.290 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 23.643 -31.399 44.080 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.089 -31.177 43.691 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 22.591 -32.946 43.995 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 22.802 -33.653 43.384 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 22.479 -33.384 44.839 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 20.439 -27.194 37.020 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 20.623 -27.276 36.085 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 21.288 -27.318 37.444 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 20.037 -31.923 43.161 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 20.956 -32.045 43.397 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 19.587 -32.673 43.550 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 24.985 -21.466 39.923 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 24.560 -20.657 39.640 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 25.890 -21.381 39.621 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 22.387 -18.210 39.970 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 21.667 -17.770 39.519 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 22.021 -18.461 40.819 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 29.565 -18.722 38.176 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 29.108 -18.193 37.522 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 29.728 -18.119 38.901 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.943 -20.877 35.536 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 23.724 -21.793 35.705 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 24.767 -20.737 36.002 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 26.480 -20.407 36.384 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 26.693 -21.295 36.097 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 26.545 -20.441 37.339 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 26.895 -36.182 33.164 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 27.769 -35.794 33.134 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 26.759 -36.397 34.087 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 28.039 -34.102 30.054 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 28.217 -34.748 30.737 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 27.985 -33.268 30.521 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 22.273 -35.595 42.868 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 21.907 -36.360 43.311 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 23.186 -35.566 43.155 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 24.246 -36.244 44.404 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 25.145 -36.518 44.219 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 23.860 -36.987 44.868 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 20.229 -29.973 51.105 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 19.781 -29.127 51.087 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 19.668 -30.553 50.590 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 26.324 -32.983 45.655 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 25.893 -33.428 46.385 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.606 -32.611 45.143 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 19.566 -33.241 52.707 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 20.197 -33.270 53.427 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 20.016 -33.666 51.977 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 22.615 -31.400 51.815 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 21.726 -31.300 51.475 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 22.911 -32.242 51.469 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 26.268 -31.400 49.471 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 27.200 -31.271 49.649 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 26.053 -30.730 48.822 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 24.942 -30.205 47.038 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 24.400 -30.585 46.347 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 25.776 -30.011 46.609 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 24.109 -34.105 51.293 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.792 -35.007 51.258 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 24.890 -34.103 50.741 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 21.532 -27.965 46.735 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 22.148 -27.338 47.114 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 20.670 -27.649 47.006 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 25.304 -33.866 48.064 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 25.221 -32.977 48.410 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 26.194 -34.131 48.295 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 21.879 -30.774 46.240 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 21.834 -29.835 46.419 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 20.991 -31.010 45.970 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 21.258 -33.611 54.908 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 21.703 -34.403 55.210 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 21.724 -32.895 55.339 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 22.315 -36.109 52.207 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 21.538 -36.343 51.699 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 22.846 -36.906 52.215 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 24.246 -17.388 6.692 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 25.145 -17.662 6.507 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 23.860 -18.131 7.156 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 22.695 -9.227 19.465 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 22.737 -9.853 20.189 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 23.398 -8.604 19.647 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 20.229 -11.117 13.393 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 19.781 -10.271 13.375 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 19.668 -11.697 12.878 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 20.939 -8.955 15.519 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 21.153 -9.725 16.046 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 21.677 -8.866 14.916 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 31.857 -12.015 18.606 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 32.000 -12.962 18.626 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 31.751 -11.808 17.677 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.632 -11.517 16.640 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 22.286 -12.067 17.072 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.656 -11.791 15.724 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 26.788 -9.967 15.856 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 27.404 -10.493 16.365 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.202 -10.607 15.452 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 26.391 -7.320 20.240 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 25.651 -6.722 20.343 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 27.105 -6.766 19.924 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 23.416 -13.104 17.905 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 24.029 -12.471 18.278 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 23.928 -13.576 17.248 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 24.799 -5.356 21.027 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 24.793 -4.477 20.649 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 23.945 -5.439 21.452 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.533 -9.244 18.373 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.098 -9.123 17.610 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.852 -8.607 19.012 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 26.413 -4.845 23.090 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 26.101 -4.063 23.546 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 25.763 -4.998 22.404 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 20.249 -6.580 21.144 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 19.748 -6.608 20.329 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 20.255 -7.486 21.454 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 22.498 -5.257 22.187 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 22.715 -5.618 23.047 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 21.643 -5.631 21.977 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 29.780 -17.065 21.557 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 30.200 -17.480 22.310 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 28.847 -17.243 21.674 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 33.106 -13.309 22.411 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 32.592 -13.435 23.208 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 32.951 -12.397 22.166 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 25.205 -11.600 14.190 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 24.312 -11.941 14.131 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 25.656 -11.977 13.434 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 29.843 -11.009 24.495 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 29.280 -11.713 24.815 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 30.669 -11.129 24.962 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 31.745 -11.738 15.821 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 31.550 -11.133 15.106 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 31.927 -12.572 15.386 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 20.841 -13.639 10.419 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 21.315 -13.048 9.834 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 20.123 -13.108 10.766 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 31.009 -10.100 20.492 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 31.333 -10.731 19.849 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 30.569 -10.635 21.153 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 27.787 -14.173 15.276 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 26.876 -14.116 15.565 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 28.292 -14.233 16.087 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 22.615 -12.544 14.103 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 21.726 -12.444 13.763 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 22.911 -13.386 13.757 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.268 -12.544 11.759 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 27.200 -12.415 11.937 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 26.053 -11.874 11.110 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 32.192 -14.938 18.540 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 31.515 -14.807 19.204 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 31.706 -15.093 17.730 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 23.077 -6.792 24.425 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 23.810 -6.538 24.986 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 22.297 -6.588 24.940 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 29.107 -11.385 17.163 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 29.671 -11.932 16.616 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 28.959 -11.907 17.952 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 24.109 -15.249 13.581 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 23.792 -16.151 13.546 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 24.890 -15.247 13.029 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 29.797 -6.600 22.499 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 29.451 -6.981 23.305 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 29.597 -5.666 22.570 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 23.402 -7.489 17.031 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 24.147 -7.491 16.430 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 23.480 -8.313 17.513 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 27.427 -9.511 24.559 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 27.131 -9.677 23.664 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 28.358 -9.731 24.549 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 30.779 -14.534 20.794 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 31.477 -14.460 21.444 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 30.398 -15.398 20.949 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 28.763 -13.154 12.726 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 29.575 -12.650 12.772 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 28.518 -13.299 13.640 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 29.299 -12.168 21.911 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 29.418 -11.594 22.668 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 29.954 -12.856 22.026 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 29.647 -16.073 13.664 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 29.300 -15.455 14.309 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 30.305 -15.572 13.183 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 25.304 -15.010 10.352 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 25.221 -14.121 10.698 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 26.194 -15.275 10.583 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 20.813 -6.773 25.646 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 20.957 -7.675 25.360 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 20.040 -6.487 25.158 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 27.468 -6.803 25.079 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.140 -6.532 24.221 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 27.620 -7.744 24.991 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 30.612 -8.093 25.718 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 31.565 -8.009 25.690 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 30.452 -8.804 26.337 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 27.926 -9.400 21.255 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 28.677 -9.556 20.682 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 27.587 -8.548 20.979 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 32.342 -11.585 26.283 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 32.534 -12.516 26.172 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 33.199 -11.160 26.273 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 31.130 -13.934 24.086 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 30.182 -13.902 24.218 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 31.442 -14.559 24.740 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 32.764 -15.300 26.091 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 32.667 -16.252 26.085 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 32.442 -15.031 26.952 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 27.372 -18.089 24.118 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 28.084 -18.729 24.104 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 27.271 -17.822 23.204 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.439 -8.338 18.164 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.623 -8.420 17.229 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 21.288 -8.462 18.588 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 19.562 -11.756 18.265 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 20.054 -11.977 17.475 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 19.924 -10.915 18.546 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 22.031 -3.585 24.808 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 21.210 -3.410 24.348 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 21.779 -3.658 25.729 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 29.989 -15.887 16.673 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 29.314 -16.516 16.928 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 30.553 -16.371 16.070 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 26.895 -17.326 14.308 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 27.769 -16.938 14.278 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 26.759 -17.541 15.231 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 32.452 -17.296 15.957 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 32.528 -17.201 15.008 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 32.176 -18.204 16.086 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 23.013 -15.539 8.741 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 23.504 -16.169 8.213 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 23.636 -15.243 9.404 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 32.668 -18.056 25.730 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 32.744 -18.482 26.584 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 33.561 -18.042 25.388 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 22.695 -9.227 38.321 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 22.737 -9.853 39.045 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.398 -8.604 38.503 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 20.939 -8.955 34.375 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 21.153 -9.725 34.902 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 21.677 -8.866 33.772 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 32.734 -13.783 33.135 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 33.380 -14.112 33.760 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 33.244 -13.265 32.512 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 26.788 -9.967 34.712 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 27.404 -10.493 35.221 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 26.202 -10.607 34.308 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.920 -5.685 30.665 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 20.648 -5.456 29.776 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.965 -4.847 31.125 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 30.115 -8.853 30.761 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 29.403 -8.318 30.410 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 30.806 -8.797 30.101 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 30.169 -10.395 27.800 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 30.870 -10.373 28.451 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 30.471 -11.023 27.144 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 25.166 -8.013 33.596 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 24.836 -8.383 32.777 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 25.754 -8.683 33.942 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 25.533 -9.244 37.229 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 26.098 -9.123 36.466 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 25.852 -8.607 37.868 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 32.392 -9.481 29.398 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 32.971 -9.331 30.145 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 32.806 -9.010 28.675 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 36.090 -17.731 29.211 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 35.191 -17.592 29.506 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 36.342 -16.900 28.809 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 29.780 -17.065 40.413 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 30.200 -17.480 41.166 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 28.847 -17.243 40.530 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 25.208 -11.821 38.134 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 24.566 -11.862 38.843 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 25.245 -10.895 37.896 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 30.741 -11.184 31.863 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 30.332 -10.369 31.571 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 31.461 -11.324 31.248 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 31.745 -11.738 34.677 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 31.550 -11.133 33.962 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 31.927 -12.572 34.242 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.958 -11.501 40.001 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 22.920 -11.101 40.869 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 22.467 -12.318 40.091 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 27.787 -14.173 34.132 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 26.876 -14.116 34.421 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 28.292 -14.233 34.943 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 32.192 -14.938 37.396 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 31.515 -14.807 38.060 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 31.706 -15.093 36.586 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 29.107 -11.385 36.019 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 29.671 -11.932 35.472 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 28.959 -11.907 36.808 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 27.733 -12.997 38.433 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 26.898 -12.543 38.543 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 28.257 -12.721 39.185 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 28.277 -6.784 30.118 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 27.533 -7.291 29.795 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 28.143 -6.735 31.064 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 32.893 -12.103 29.978 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 33.785 -12.240 30.297 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 32.950 -11.312 29.441 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 23.402 -7.489 35.887 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 24.147 -7.491 35.286 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 23.480 -8.313 36.369 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 21.532 -9.109 27.879 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 22.148 -8.482 28.258 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 20.670 -8.793 28.150 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 27.204 -6.308 32.868 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 26.963 -5.383 32.910 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 26.464 -6.767 33.264 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 22.044 -14.275 40.760 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 21.151 -13.936 40.693 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 21.945 -15.130 41.178 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 22.947 -7.196 29.371 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 22.261 -6.844 29.938 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 23.470 -6.433 29.125 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 30.779 -14.534 39.650 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 31.477 -14.460 40.300 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 30.398 -15.398 39.805 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 29.299 -12.168 40.767 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 29.418 -11.594 41.524 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 29.954 -12.856 40.882 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 29.647 -16.073 32.520 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 29.300 -15.455 33.165 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 30.305 -15.572 32.039 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 23.563 -4.582 28.268 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 24.155 -3.883 28.544 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 24.022 -5.015 27.549 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 25.154 -6.429 26.634 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 25.218 -7.223 27.165 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 25.807 -6.548 25.945 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 26.303 -8.457 28.940 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 25.844 -8.941 29.626 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 26.558 -9.125 28.304 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 25.592 -10.564 41.296 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 24.974 -9.889 41.577 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 25.936 -10.243 40.463 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 25.932 -13.209 42.379 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 26.082 -13.938 41.776 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 25.934 -12.432 41.820 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.344 -14.839 39.871 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 26.880 -14.388 39.219 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 25.492 -14.947 39.449 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 27.150 -17.383 40.303 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 27.052 -16.436 40.197 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 26.407 -17.755 39.827 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 27.372 -18.089 42.974 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 28.084 -18.729 42.960 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 27.271 -17.822 42.060 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 20.840 -4.887 27.687 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 21.754 -4.808 27.960 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 20.847 -5.574 27.020 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 20.439 -8.338 37.020 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 20.623 -8.420 36.085 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 21.288 -8.462 37.444 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 35.482 -14.388 26.506 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 36.092 -14.760 27.143 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 34.645 -14.810 26.702 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 35.114 -12.833 31.472 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 35.394 -13.740 31.597 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 35.873 -12.399 31.083 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 35.728 -15.570 31.521 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 35.910 -16.019 32.346 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 35.128 -16.155 31.057 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 19.562 -11.756 37.121 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 20.054 -11.977 36.331 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 19.924 -10.915 37.402 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 19.839 -16.760 39.520 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 19.174 -17.006 40.163 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 19.396 -16.138 38.943 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 29.989 -15.887 35.529 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 29.314 -16.516 35.784 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 30.553 -16.371 34.926 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 32.452 -17.296 34.813 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 32.528 -17.201 33.864 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 32.176 -18.204 34.942 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 33.805 -17.270 30.506 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 33.102 -16.656 30.296 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 33.360 -18.108 30.637 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 22.273 -16.739 42.868 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.907 -17.504 43.311 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 23.186 -16.710 43.155 0.00 0.00 WAT1 END