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 14:06:16 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.671 -8.496 8.344 1.00 63.41 ATOM 2 CB MET 1 15.023 -6.515 9.075 1.00 75.42 ATOM 3 HB1 MET 1 15.622 -6.855 9.909 1.00 38.16 ATOM 4 HB2 MET 1 13.996 -6.411 9.400 1.00 62.50 ATOM 5 CG MET 1 15.531 -5.150 8.642 1.00 54.32 ATOM 6 HG1 MET 1 14.902 -4.778 7.848 1.00 38.16 ATOM 7 HG2 MET 1 16.541 -5.254 8.277 1.00 42.00 ATOM 8 SD MET 1 15.544 -3.954 9.991 1.00 15.40 ATOM 9 CE MET 1 14.573 -2.628 9.277 1.00 3.14 ATOM 10 HE1 MET 1 15.056 -2.272 8.379 1.00 22.41 ATOM 11 HE2 MET 1 14.492 -1.819 9.987 1.00 24.41 ATOM 12 HE3 MET 1 13.587 -2.995 9.034 1.00 63.44 ATOM 13 C MET 1 14.277 -7.115 6.763 1.00 14.14 ATOM 14 O MET 1 14.820 -6.557 5.811 1.00 2.13 ATOM 15 N MET 1 16.477 -7.825 7.596 1.00 33.32 ATOM 16 HT1 MET 1 17.042 -8.074 8.436 1.00 38.16 ATOM 17 HT2 MET 1 16.904 -6.990 7.141 1.00 38.16 ATOM 18 HT3 MET 1 16.524 -8.622 6.927 1.00 38.16 ATOM 19 CA MET 1 15.090 -7.572 7.970 1.00 2.41 ATOM 20 N GLY 2 12.970 -7.356 6.810 1.00 32.24 ATOM 21 HN GLY 2 12.580 -7.806 7.593 1.00 38.16 ATOM 22 CA GLY 2 12.103 -6.963 5.715 1.00 61.44 ATOM 23 HA1 GLY 2 12.498 -6.080 5.224 1.00 38.16 ATOM 24 HA2 GLY 2 11.131 -6.721 6.121 1.00 50.14 ATOM 25 C GLY 2 11.931 -8.065 4.688 1.00 61.22 ATOM 26 O GLY 2 12.169 -9.238 4.979 1.00 41.21 ATOM 27 N HIS 3 11.515 -7.689 3.483 1.00 71.23 ATOM 28 HN HIS 3 11.341 -6.737 3.300 1.00 38.16 ATOM 29 CA HIS 3 11.310 -8.655 2.409 1.00 51.11 ATOM 30 HA HIS 3 11.531 -9.650 2.781 1.00 32.31 ATOM 31 CB HIS 3 9.858 -8.617 1.930 1.00 3.24 ATOM 32 HB1 HIS 3 9.718 -7.835 1.195 1.00 38.16 ATOM 33 HB2 HIS 3 9.218 -8.411 2.777 1.00 61.31 ATOM 34 CG HIS 3 9.390 -9.908 1.333 1.00 24.22 ATOM 35 ND1 HIS 3 9.222 -10.093 -0.023 1.00 24.01 ATOM 36 HD1 HIS 3 9.385 -9.421 -0.717 1.00 64.55 ATOM 37 CD2 HIS 3 9.056 -11.083 1.916 1.00 62.32 ATOM 38 HD2 HIS 3 9.071 -11.300 2.975 1.00 43.34 ATOM 39 CE1 HIS 3 8.803 -11.325 -0.248 1.00 63.44 ATOM 40 HE1 HIS 3 8.587 -11.752 -1.216 1.00 73.51 ATOM 41 NE2 HIS 3 8.695 -11.947 0.912 1.00 72.43 ATOM 42 HE2 HIS 3 8.317 -12.842 1.040 1.00 38.16 ATOM 43 C HIS 3 12.251 -8.376 1.241 1.00 54.04 ATOM 44 O HIS 3 11.807 -8.122 0.120 1.00 22.11 ATOM 45 N HIS 4 13.551 -8.424 1.510 1.00 65.12 ATOM 46 HN HIS 4 13.852 -8.645 2.423 1.00 38.16 ATOM 47 CA HIS 4 14.555 -8.176 0.481 1.00 71.44 ATOM 48 HA HIS 4 14.082 -7.715 -0.378 1.00 24.03 ATOM 49 CB HIS 4 15.641 -7.240 1.012 1.00 73.30 ATOM 50 HB1 HIS 4 16.528 -7.320 0.394 1.00 38.16 ATOM 51 HB2 HIS 4 15.891 -7.521 2.024 1.00 35.14 ATOM 52 CG HIS 4 15.235 -5.799 1.025 1.00 12.32 ATOM 53 ND1 HIS 4 15.964 -4.817 1.662 1.00 25.21 ATOM 54 HD1 HIS 4 16.798 -4.954 2.158 1.00 54.24 ATOM 55 CD2 HIS 4 14.169 -5.174 0.473 1.00 75.11 ATOM 56 HD2 HIS 4 13.382 -5.638 -0.105 1.00 55.12 ATOM 57 CE1 HIS 4 15.364 -3.652 1.503 1.00 54.54 ATOM 58 HE1 HIS 4 15.708 -2.705 1.893 1.00 5.24 ATOM 59 NE2 HIS 4 14.272 -3.841 0.784 1.00 14.41 ATOM 60 HE2 HIS 4 13.693 -3.130 0.439 1.00 38.16 ATOM 61 C HIS 4 15.181 -9.484 0.007 1.00 65.33 ATOM 62 O HIS 4 15.239 -9.759 -1.192 1.00 53.45 ATOM 63 N HIS 5 15.651 -10.288 0.956 1.00 41.03 ATOM 64 HN HIS 5 15.591 -10.012 1.901 1.00 38.16 ATOM 65 CA HIS 5 16.274 -11.567 0.635 1.00 71.31 ATOM 66 HA HIS 5 15.960 -11.878 -0.355 1.00 50.11 ATOM 67 CB HIS 5 17.797 -11.435 0.652 1.00 61.51 ATOM 68 HB1 HIS 5 18.254 -12.411 0.561 1.00 38.16 ATOM 69 HB2 HIS 5 18.101 -10.992 1.588 1.00 41.22 ATOM 70 CG HIS 5 18.337 -10.584 -0.455 1.00 51.44 ATOM 71 ND1 HIS 5 18.937 -9.361 -0.240 1.00 62.02 ATOM 72 HD1 HIS 5 19.068 -8.933 0.632 1.00 4.54 ATOM 73 CD2 HIS 5 18.366 -10.785 -1.794 1.00 10.14 ATOM 74 HD2 HIS 5 17.981 -11.647 -2.321 1.00 34.04 ATOM 75 CE1 HIS 5 19.311 -8.846 -1.398 1.00 74.42 ATOM 76 HE1 HIS 5 19.807 -7.897 -1.537 1.00 73.21 ATOM 77 NE2 HIS 5 18.976 -9.691 -2.357 1.00 31.12 ATOM 78 HE2 HIS 5 19.055 -9.515 -3.318 1.00 38.16 ATOM 79 C HIS 5 15.834 -12.648 1.619 1.00 40.55 ATOM 80 O HIS 5 15.081 -12.379 2.555 1.00 21.23 ATOM 81 N HIS 6 16.308 -13.870 1.399 1.00 41.22 ATOM 82 HN HIS 6 16.893 -14.040 0.628 1.00 38.16 ATOM 83 CA HIS 6 15.963 -14.991 2.266 1.00 4.20 ATOM 84 HA HIS 6 16.369 -15.886 1.814 1.00 71.23 ATOM 85 CB HIS 6 16.574 -14.796 3.654 1.00 3.00 ATOM 86 HB1 HIS 6 15.909 -14.209 4.276 1.00 38.16 ATOM 87 HB2 HIS 6 17.513 -14.268 3.555 1.00 33.31 ATOM 88 CG HIS 6 16.863 -16.081 4.367 1.00 1.01 ATOM 89 ND1 HIS 6 16.283 -16.421 5.571 1.00 54.32 ATOM 90 HD1 HIS 6 15.642 -15.875 6.072 1.00 32.44 ATOM 91 CD2 HIS 6 17.676 -17.113 4.039 1.00 55.55 ATOM 92 HD2 HIS 6 18.291 -17.188 3.153 1.00 2.20 ATOM 93 CE1 HIS 6 16.727 -17.605 5.953 1.00 53.32 ATOM 94 HE1 HIS 6 16.445 -18.124 6.857 1.00 72.03 ATOM 95 NE2 HIS 6 17.573 -18.046 5.040 1.00 21.50 ATOM 96 HE2 HIS 6 18.112 -18.861 5.116 1.00 38.16 ATOM 97 C HIS 6 14.450 -15.144 2.380 1.00 14.34 ATOM 98 O HIS 6 13.932 -15.535 3.427 1.00 22.30 ATOM 99 N HIS 7 13.745 -14.831 1.298 1.00 74.54 ATOM 100 HN HIS 7 14.215 -14.572 0.475 1.00 38.16 ATOM 101 CA HIS 7 12.290 -14.934 1.277 1.00 73.13 ATOM 102 HA HIS 7 11.914 -14.826 2.288 1.00 63.52 ATOM 103 CB HIS 7 11.691 -13.817 0.422 1.00 72.14 ATOM 104 HB1 HIS 7 11.878 -12.870 0.907 1.00 38.16 ATOM 105 HB2 HIS 7 10.622 -13.959 0.332 1.00 14.31 ATOM 106 CG HIS 7 12.267 -13.745 -0.959 1.00 4.12 ATOM 107 ND1 HIS 7 12.543 -12.555 -1.598 1.00 53.42 ATOM 108 HD1 HIS 7 12.395 -11.659 -1.229 1.00 34.34 ATOM 109 CD2 HIS 7 12.623 -14.725 -1.822 1.00 54.13 ATOM 110 HD2 HIS 7 12.524 -15.783 -1.681 1.00 11.31 ATOM 111 CE1 HIS 7 13.041 -12.806 -2.796 1.00 13.52 ATOM 112 HE1 HIS 7 13.349 -12.066 -3.520 1.00 72.45 ATOM 113 NE2 HIS 7 13.100 -14.115 -2.956 1.00 70.23 ATOM 114 HE2 HIS 7 13.347 -14.572 -3.787 1.00 38.16 ATOM 115 C HIS 7 11.849 -16.293 0.741 1.00 14.04 ATOM 116 O HIS 7 12.666 -17.076 0.256 1.00 1.31 ATOM 117 N HIS 8 10.551 -16.567 0.834 1.00 62.33 ATOM 118 HN HIS 8 9.938 -15.908 1.231 1.00 38.16 ATOM 119 CA HIS 8 10.001 -17.832 0.359 1.00 64.13 ATOM 120 HA HIS 8 8.968 -17.878 0.676 1.00 41.42 ATOM 121 CB HIS 8 10.065 -17.899 -1.167 1.00 40.14 ATOM 122 HB1 HIS 8 11.088 -18.061 -1.484 1.00 38.16 ATOM 123 HB2 HIS 8 9.719 -16.958 -1.572 1.00 34.34 ATOM 124 CG HIS 8 9.213 -18.981 -1.756 1.00 13.04 ATOM 125 ND1 HIS 8 7.834 -18.943 -1.745 1.00 44.31 ATOM 126 HD1 HIS 8 7.284 -18.228 -1.363 1.00 13.41 ATOM 127 CD2 HIS 8 9.551 -20.135 -2.376 1.00 32.50 ATOM 128 HD2 HIS 8 10.554 -20.492 -2.563 1.00 35.15 ATOM 129 CE1 HIS 8 7.362 -20.028 -2.332 1.00 55.40 ATOM 130 HE1 HIS 8 6.318 -20.268 -2.469 1.00 0.22 ATOM 131 NE2 HIS 8 8.383 -20.768 -2.724 1.00 53.23 ATOM 132 HE2 HIS 8 8.315 -21.670 -3.101 1.00 38.16 ATOM 133 C HIS 8 10.755 -19.013 0.963 1.00 32.13 ATOM 134 O HIS 8 11.035 -19.998 0.281 1.00 71.34 ATOM 135 N SER 9 11.081 -18.906 2.248 1.00 75.25 ATOM 136 HN SER 9 10.831 -18.095 2.751 1.00 38.16 ATOM 137 CA SER 9 11.806 -19.963 2.943 1.00 75.32 ATOM 138 HA SER 9 11.577 -20.913 2.475 1.00 54.11 ATOM 139 CB SER 9 13.313 -19.722 2.851 1.00 5.23 ATOM 140 HB1 SER 9 13.839 -20.518 3.361 1.00 38.16 ATOM 141 HB2 SER 9 13.556 -18.776 3.313 1.00 60.35 ATOM 142 OG SER 9 13.744 -19.689 1.502 1.00 72.45 ATOM 143 HG SER 9 14.654 -19.386 1.464 1.00 63.10 ATOM 144 C SER 9 11.380 -20.043 4.406 1.00 54.34 ATOM 145 O SER 9 10.731 -19.134 4.926 1.00 61.13 ATOM 146 N HIS 10 11.749 -21.137 5.064 1.00 10.44 ATOM 147 HN HIS 10 12.281 -21.827 4.600 1.00 38.16 ATOM 148 CA HIS 10 11.406 -21.336 6.468 1.00 2.01 ATOM 149 HA HIS 10 10.530 -20.734 6.697 1.00 31.03 ATOM 150 CB HIS 10 11.071 -22.805 6.729 1.00 14.43 ATOM 151 HB1 HIS 10 11.983 -23.378 6.846 1.00 38.16 ATOM 152 HB2 HIS 10 10.520 -23.195 5.884 1.00 63.43 ATOM 153 CG HIS 10 10.227 -23.019 7.948 1.00 3.55 ATOM 154 ND1 HIS 10 10.681 -23.678 9.071 1.00 21.31 ATOM 155 HD1 HIS 10 11.574 -24.064 9.186 1.00 45.34 ATOM 156 CD2 HIS 10 8.952 -22.654 8.218 1.00 71.11 ATOM 157 HD2 HIS 10 8.287 -22.114 7.559 1.00 65.22 ATOM 158 CE1 HIS 10 9.721 -23.712 9.978 1.00 53.04 ATOM 159 HE1 HIS 10 9.791 -24.164 10.955 1.00 14.44 ATOM 160 NE2 HIS 10 8.661 -23.097 9.485 1.00 52.23 ATOM 161 HE2 HIS 10 7.780 -23.059 9.913 1.00 38.16 ATOM 162 C HIS 10 12.551 -20.894 7.375 1.00 60.41 ATOM 163 O HIS 10 13.719 -20.957 6.991 1.00 14.32 ATOM 164 N MET 11 12.208 -20.448 8.579 1.00 54.14 ATOM 165 HN MET 11 11.257 -20.431 8.840 1.00 38.16 ATOM 166 CA MET 11 13.207 -19.996 9.540 1.00 62.53 ATOM 167 HA MET 11 14.150 -19.837 9.027 1.00 22.34 ATOM 168 CB MET 11 12.774 -18.674 10.176 1.00 74.42 ATOM 169 HB1 MET 11 13.429 -18.446 11.009 1.00 38.16 ATOM 170 HB2 MET 11 11.766 -18.796 10.549 1.00 53.54 ATOM 171 CG MET 11 12.815 -17.496 9.216 1.00 1.05 ATOM 172 HG1 MET 11 12.574 -17.842 8.219 1.00 38.16 ATOM 173 HG2 MET 11 13.816 -17.089 9.218 1.00 32.31 ATOM 174 SD MET 11 11.666 -16.185 9.676 1.00 34.24 ATOM 175 CE MET 11 10.837 -15.898 8.115 1.00 60.24 ATOM 176 HE1 MET 11 10.349 -16.807 7.794 1.00 2.41 ATOM 177 HE2 MET 11 11.561 -15.597 7.373 1.00 2.10 ATOM 178 HE3 MET 11 10.100 -15.118 8.237 1.00 63.25 ATOM 179 C MET 11 13.432 -21.046 10.623 1.00 3.05 ATOM 180 O MET 11 12.640 -21.975 10.775 1.00 40.21 ATOM 181 N ASN 12 14.518 -20.891 11.375 1.00 71.24 ATOM 182 HN ASN 12 15.116 -20.123 11.205 1.00 38.16 ATOM 183 CA ASN 12 14.847 -21.827 12.444 1.00 41.41 ATOM 184 HA ASN 12 14.994 -22.803 11.994 1.00 4.24 ATOM 185 CB ASN 12 16.144 -21.404 13.138 1.00 73.41 ATOM 186 HB1 ASN 12 16.326 -22.053 13.986 1.00 38.16 ATOM 187 HB2 ASN 12 16.039 -20.389 13.489 1.00 61.22 ATOM 188 CG ASN 12 17.346 -21.487 12.217 1.00 53.21 ATOM 189 OD1 ASN 12 17.818 -22.576 11.890 1.00 55.12 ATOM 190 ND2 ASN 12 17.847 -20.332 11.794 1.00 23.22 ATOM 191 HD21 ASN 12 17.430 -19.490 12.087 1.00 71.31 ATOM 192 HD22 ASN 12 18.624 -20.365 11.198 1.00 21.32 ATOM 193 C ASN 12 13.715 -21.908 13.463 1.00 11.03 ATOM 194 O ASN 12 13.331 -20.903 14.061 1.00 15.10 ATOM 195 N SER 13 13.185 -23.112 13.657 1.00 44.24 ATOM 196 HN SER 13 13.542 -23.884 13.156 1.00 38.16 ATOM 197 CA SER 13 12.095 -23.325 14.601 1.00 0.51 ATOM 198 HA SER 13 11.319 -22.600 14.393 1.00 65.02 ATOM 199 CB SER 13 11.511 -24.728 14.431 1.00 60.33 ATOM 200 HB1 SER 13 11.092 -25.069 15.368 1.00 38.16 ATOM 201 HB2 SER 13 12.290 -25.414 14.126 1.00 1.03 ATOM 202 OG SER 13 10.483 -24.738 13.456 1.00 51.14 ATOM 203 HG SER 13 10.809 -25.134 12.643 1.00 61.20 ATOM 204 C SER 13 12.574 -23.132 16.037 1.00 44.34 ATOM 205 O SER 13 11.841 -22.625 16.885 1.00 51.43 ATOM 206 N ALA 14 13.811 -23.540 16.301 1.00 61.43 ATOM 207 HN ALA 14 14.357 -23.937 15.584 1.00 38.16 ATOM 208 CA ALA 14 14.390 -23.411 17.632 1.00 24.50 ATOM 209 HA ALA 14 13.849 -24.063 18.289 1.00 0.41 ATOM 210 CB ALA 14 15.849 -23.845 17.617 1.00 11.32 ATOM 211 HB1 ALA 14 16.412 -23.203 16.954 1.00 63.43 ATOM 212 HB2 ALA 14 15.915 -24.864 17.268 1.00 24.45 ATOM 213 HB3 ALA 14 16.260 -23.781 18.615 1.00 15.35 ATOM 214 C ALA 14 14.266 -21.982 18.149 1.00 64.14 ATOM 215 O ALA 14 14.026 -21.760 19.335 1.00 60.42 ATOM 216 N GLU 15 14.433 -21.016 17.250 1.00 33.41 ATOM 217 HN GLU 15 14.641 -21.251 16.315 1.00 38.16 ATOM 218 CA GLU 15 14.341 -19.608 17.617 1.00 34.33 ATOM 219 HA GLU 15 15.103 -19.404 18.359 1.00 74.34 ATOM 220 CB GLU 15 14.581 -18.722 16.393 1.00 33.31 ATOM 221 HB1 GLU 15 14.232 -17.719 16.614 1.00 38.16 ATOM 222 HB2 GLU 15 14.015 -19.111 15.562 1.00 34.52 ATOM 223 CG GLU 15 16.040 -18.639 15.979 1.00 63.01 ATOM 224 HG1 GLU 15 16.309 -19.551 15.470 1.00 38.16 ATOM 225 HG2 GLU 15 16.654 -18.527 16.863 1.00 24.24 ATOM 226 CD GLU 15 16.319 -17.467 15.059 1.00 45.44 ATOM 227 OE1 GLU 15 15.811 -16.360 15.337 1.00 32.50 ATOM 228 OE2 GLU 15 17.046 -17.655 14.061 1.00 52.14 ATOM 229 C GLU 15 12.978 -19.293 18.227 1.00 31.14 ATOM 230 O GLU 15 12.888 -18.833 19.365 1.00 30.23 ATOM 231 N GLN 16 11.921 -19.544 17.461 1.00 10.35 ATOM 232 HN GLN 16 12.065 -19.902 16.554 1.00 38.16 ATOM 233 CA GLN 16 10.563 -19.285 17.926 1.00 61.51 ATOM 234 HA GLN 16 10.504 -18.251 18.239 1.00 13.13 ATOM 235 CB GLN 16 9.562 -19.512 16.792 1.00 51.11 ATOM 236 HB1 GLN 16 9.799 -18.837 15.982 1.00 38.16 ATOM 237 HB2 GLN 16 8.566 -19.286 17.153 1.00 14.42 ATOM 238 CG GLN 16 9.572 -20.930 16.245 1.00 25.31 ATOM 239 HG1 GLN 16 9.472 -21.637 17.051 1.00 38.16 ATOM 240 HG2 GLN 16 10.508 -21.089 15.742 1.00 74.30 ATOM 241 CD GLN 16 8.465 -21.177 15.240 1.00 14.31 ATOM 242 OE1 GLN 16 8.389 -20.512 14.206 1.00 4.03 ATOM 243 NE2 GLN 16 7.597 -22.136 15.539 1.00 73.32 ATOM 244 HE21 GLN 16 7.702 -22.637 16.379 1.00 41.12 ATOM 245 HE22 GLN 16 6.874 -22.310 14.900 1.00 62.25 ATOM 246 C GLN 16 10.215 -20.177 19.113 1.00 21.41 ATOM 247 O GLN 16 9.457 -19.782 19.999 1.00 34.54 ATOM 248 N THR 17 10.774 -21.384 19.125 1.00 51.42 ATOM 249 HN THR 17 11.361 -21.659 18.384 1.00 38.16 ATOM 250 CA THR 17 10.522 -22.332 20.202 1.00 73.41 ATOM 251 HA THR 17 9.457 -22.530 20.233 1.00 74.42 ATOM 252 CB THR 17 11.253 -23.666 19.958 1.00 32.15 ATOM 253 HB THR 17 12.300 -23.472 19.930 1.00 70.32 ATOM 254 OG1 THR 17 10.858 -24.218 18.697 1.00 5.13 ATOM 255 HG1 THR 17 9.905 -24.378 18.672 1.00 51.25 ATOM 256 CG2 THR 17 10.950 -24.660 21.070 1.00 71.04 ATOM 257 HG21 THR 17 11.448 -25.590 20.851 1.00 50.44 ATOM 258 HG22 THR 17 9.884 -24.831 21.123 1.00 24.45 ATOM 259 HG23 THR 17 11.298 -24.286 22.015 1.00 51.53 ATOM 260 C THR 17 10.958 -21.765 21.548 1.00 70.12 ATOM 261 O THR 17 10.225 -21.846 22.534 1.00 44.11 ATOM 262 N VAL 18 12.156 -21.190 21.582 1.00 11.11 ATOM 263 HN VAL 18 12.692 -21.150 20.756 1.00 38.16 ATOM 264 CA VAL 18 12.689 -20.607 22.807 1.00 2.15 ATOM 265 HA VAL 18 12.800 -21.402 23.535 1.00 55.33 ATOM 266 CB VAL 18 14.070 -19.968 22.570 1.00 4.11 ATOM 267 HB VAL 18 13.957 -19.151 21.869 1.00 2.23 ATOM 268 CG1 VAL 18 14.629 -19.405 23.868 1.00 15.41 ATOM 269 HG11 VAL 18 15.712 -19.421 23.862 1.00 75.11 ATOM 270 HG12 VAL 18 14.263 -19.976 24.702 1.00 21.35 ATOM 271 HG13 VAL 18 14.296 -18.383 23.975 1.00 15.33 ATOM 272 CG2 VAL 18 15.029 -20.982 21.964 1.00 51.44 ATOM 273 HG21 VAL 18 14.532 -21.922 21.776 1.00 1.31 ATOM 274 HG22 VAL 18 15.867 -21.158 22.617 1.00 23.10 ATOM 275 HG23 VAL 18 15.398 -20.593 21.027 1.00 41.13 ATOM 276 C VAL 18 11.744 -19.552 23.371 1.00 34.42 ATOM 277 O VAL 18 11.386 -19.589 24.549 1.00 14.50 ATOM 278 N THR 19 11.341 -18.612 22.522 1.00 13.02 ATOM 279 HN THR 19 11.658 -18.637 21.587 1.00 38.16 ATOM 280 CA THR 19 10.437 -17.546 22.935 1.00 13.00 ATOM 281 HA THR 19 10.860 -17.057 23.800 1.00 35.53 ATOM 282 CB THR 19 10.267 -16.492 21.825 1.00 43.31 ATOM 283 HB THR 19 9.805 -16.960 20.965 1.00 24.21 ATOM 284 OG1 THR 19 11.546 -15.976 21.440 1.00 3.40 ATOM 285 HG1 THR 19 11.966 -16.581 20.824 1.00 24.02 ATOM 286 CG2 THR 19 9.375 -15.352 22.293 1.00 72.04 ATOM 287 HG21 THR 19 9.703 -14.999 23.262 1.00 1.14 ATOM 288 HG22 THR 19 8.351 -15.689 22.358 1.00 72.44 ATOM 289 HG23 THR 19 9.435 -14.541 21.582 1.00 71.40 ATOM 290 C THR 19 9.066 -18.100 23.307 1.00 24.40 ATOM 291 O THR 19 8.369 -17.540 24.153 1.00 73.44 ATOM 292 N TRP 20 8.687 -19.203 22.671 1.00 3.03 ATOM 293 HN TRP 20 9.275 -19.601 21.989 1.00 38.16 ATOM 294 CA TRP 20 7.399 -19.834 22.937 1.00 41.51 ATOM 295 HA TRP 20 6.624 -19.102 22.759 1.00 15.13 ATOM 296 CB TRP 20 7.181 -21.014 21.989 1.00 30.01 ATOM 297 HB1 TRP 20 7.955 -21.745 22.143 1.00 38.16 ATOM 298 HB2 TRP 20 7.228 -20.659 20.970 1.00 31.43 ATOM 299 CG TRP 20 5.857 -21.691 22.179 1.00 64.24 ATOM 300 CD1 TRP 20 4.633 -21.091 22.255 1.00 41.24 ATOM 301 HD1 TRP 20 4.472 -20.025 22.185 1.00 11.23 ATOM 302 CD2 TRP 20 5.626 -23.097 22.318 1.00 63.31 ATOM 303 NE1 TRP 20 3.655 -22.039 22.433 1.00 73.11 ATOM 304 HE1 TRP 20 2.696 -21.856 22.520 1.00 32.33 ATOM 305 CE2 TRP 20 4.238 -23.278 22.474 1.00 0.21 ATOM 306 CE3 TRP 20 6.456 -24.221 22.324 1.00 64.31 ATOM 307 HE3 TRP 20 7.525 -24.126 22.207 1.00 30.42 ATOM 308 CZ2 TRP 20 3.665 -24.536 22.635 1.00 31.44 ATOM 309 HZ2 TRP 20 2.601 -24.666 22.752 1.00 63.30 ATOM 310 CZ3 TRP 20 5.886 -25.470 22.484 1.00 1.33 ATOM 311 HZ3 TRP 20 6.513 -26.350 22.492 1.00 30.10 ATOM 312 CH2 TRP 20 4.501 -25.619 22.638 1.00 63.45 ATOM 313 HH2 TRP 20 4.111 -26.602 22.761 1.00 35.31 ATOM 314 C TRP 20 7.312 -20.305 24.384 1.00 11.13 ATOM 315 O TRP 20 6.318 -20.059 25.069 1.00 51.21 ATOM 316 N LEU 21 8.357 -20.983 24.845 1.00 1.11 ATOM 317 HN LEU 21 9.125 -21.153 24.249 1.00 38.16 ATOM 318 CA LEU 21 8.398 -21.489 26.213 1.00 44.32 ATOM 319 HA LEU 21 7.511 -22.080 26.384 1.00 21.55 ATOM 320 CB LEU 21 9.633 -22.368 26.415 1.00 24.32 ATOM 321 HB1 LEU 21 9.652 -22.690 27.449 1.00 38.16 ATOM 322 HB2 LEU 21 10.511 -21.761 26.230 1.00 34.50 ATOM 323 CG LEU 21 9.721 -23.615 25.534 1.00 44.21 ATOM 324 HG LEU 21 9.737 -23.314 24.497 1.00 23.45 ATOM 325 CD1 LEU 21 11.004 -24.381 25.819 1.00 11.32 ATOM 326 HD11 LEU 21 11.856 -23.742 25.634 1.00 70.04 ATOM 327 HD12 LEU 21 11.062 -25.245 25.172 1.00 52.22 ATOM 328 HD13 LEU 21 11.015 -24.704 26.851 1.00 73.10 ATOM 329 CD2 LEU 21 8.507 -24.506 25.748 1.00 32.10 ATOM 330 HD21 LEU 21 7.614 -23.988 25.433 1.00 62.32 ATOM 331 HD22 LEU 21 8.423 -24.766 26.794 1.00 22.22 ATOM 332 HD23 LEU 21 8.613 -25.411 25.164 1.00 11.14 ATOM 333 C LEU 21 8.407 -20.341 27.218 1.00 61.23 ATOM 334 O LEU 21 7.896 -20.474 28.330 1.00 13.40 ATOM 335 N ILE 22 8.989 -19.216 26.818 1.00 51.33 ATOM 336 HN ILE 22 9.389 -19.163 25.920 1.00 38.16 ATOM 337 CA ILE 22 9.061 -18.044 27.682 1.00 33.31 ATOM 338 HA ILE 22 9.327 -18.368 28.675 1.00 2.01 ATOM 339 CB ILE 22 10.130 -17.049 27.194 1.00 23.34 ATOM 340 HB ILE 22 9.847 -16.706 26.207 1.00 23.44 ATOM 341 CG1 ILE 22 11.497 -17.733 27.118 1.00 71.14 ATOM 342 HG11 ILE 22 11.400 -18.711 26.682 1.00 38.16 ATOM 343 HG12 ILE 22 11.903 -17.841 28.115 1.00 12.41 ATOM 344 CG2 ILE 22 10.188 -15.840 28.116 1.00 50.04 ATOM 345 HG21 ILE 22 10.457 -16.154 29.115 1.00 21.24 ATOM 346 HG22 ILE 22 9.232 -15.340 28.142 1.00 35.44 ATOM 347 HG23 ILE 22 10.923 -15.146 27.752 1.00 54.43 ATOM 348 CD1 ILE 22 12.510 -16.969 26.294 1.00 14.41 ATOM 349 HD11 ILE 22 12.451 -15.914 26.504 1.00 72.11 ATOM 350 HD12 ILE 22 12.323 -17.137 25.249 1.00 13.45 ATOM 351 HD13 ILE 22 13.496 -17.325 26.535 1.00 2.42 ATOM 352 C ILE 22 7.715 -17.331 27.755 1.00 74.43 ATOM 353 O ILE 22 7.166 -17.124 28.838 1.00 45.53 ATOM 354 N THR 23 7.185 -16.960 26.593 1.00 14.45 ATOM 355 HN THR 23 7.671 -17.153 25.758 1.00 38.16 ATOM 356 CA THR 23 5.902 -16.271 26.524 1.00 2.43 ATOM 357 HA THR 23 6.005 -15.317 27.022 1.00 31.24 ATOM 358 CB THR 23 5.483 -16.008 25.065 1.00 24.24 ATOM 359 HB THR 23 6.293 -15.502 24.559 1.00 1.50 ATOM 360 OG1 THR 23 4.319 -15.176 25.032 1.00 14.13 ATOM 361 HG1 THR 23 4.575 -14.258 25.153 1.00 10.32 ATOM 362 CG2 THR 23 5.200 -17.315 24.340 1.00 32.14 ATOM 363 HG21 THR 23 5.051 -17.112 23.290 1.00 44.02 ATOM 364 HG22 THR 23 4.312 -17.781 24.739 1.00 42.23 ATOM 365 HG23 THR 23 6.032 -17.965 24.457 1.00 40.31 ATOM 366 C THR 23 4.808 -17.074 27.218 1.00 3.15 ATOM 367 O THR 23 3.834 -16.511 27.721 1.00 64.44 ATOM 368 N LEU 24 4.975 -18.392 27.244 1.00 14.42 ATOM 369 HN LEU 24 5.747 -18.799 26.791 1.00 38.16 ATOM 370 CA LEU 24 4.001 -19.273 27.878 1.00 32.54 ATOM 371 HA LEU 24 3.010 -18.979 27.550 1.00 50.34 ATOM 372 CB LEU 24 4.252 -20.724 27.464 1.00 34.52 ATOM 373 HB1 LEU 24 3.877 -21.382 28.242 1.00 38.16 ATOM 374 HB2 LEU 24 5.326 -20.865 27.410 1.00 72.22 ATOM 375 CG LEU 24 3.635 -21.159 26.134 1.00 42.10 ATOM 376 HG LEU 24 3.655 -20.330 25.438 1.00 35.43 ATOM 377 CD1 LEU 24 4.438 -22.295 25.519 1.00 10.05 ATOM 378 HD11 LEU 24 3.776 -23.039 25.101 1.00 21.33 ATOM 379 HD12 LEU 24 5.062 -22.756 26.268 1.00 32.20 ATOM 380 HD13 LEU 24 5.061 -21.911 24.745 1.00 23.22 ATOM 381 CD2 LEU 24 2.184 -21.573 26.329 1.00 70.24 ATOM 382 HD21 LEU 24 1.748 -21.798 25.369 1.00 54.53 ATOM 383 HD22 LEU 24 1.632 -20.763 26.788 1.00 54.35 ATOM 384 HD23 LEU 24 2.133 -22.447 26.963 1.00 51.23 ATOM 385 C LEU 24 4.061 -19.149 29.397 1.00 1.44 ATOM 386 O LEU 24 3.079 -19.407 30.091 1.00 15.42 ATOM 387 N GLY 25 5.222 -18.749 29.908 1.00 40.43 ATOM 388 HN GLY 25 5.990 -18.586 29.331 1.00 38.16 ATOM 389 CA GLY 25 5.388 -18.594 31.341 1.00 24.21 ATOM 390 HA1 GLY 25 4.473 -18.219 31.780 1.00 38.16 ATOM 391 HA2 GLY 25 6.173 -17.873 31.518 1.00 12.21 ATOM 392 C GLY 25 5.767 -19.893 32.024 1.00 34.42 ATOM 393 O GLY 25 5.307 -20.179 33.130 1.00 54.12 ATOM 394 N VAL 26 6.606 -20.685 31.364 1.00 4.31 ATOM 395 HN VAL 26 6.946 -20.402 30.490 1.00 38.16 ATOM 396 CA VAL 26 7.046 -21.961 31.914 1.00 31.42 ATOM 397 HA VAL 26 6.636 -22.087 32.911 1.00 34.11 ATOM 398 CB VAL 26 6.569 -23.141 31.046 1.00 42.34 ATOM 399 HB VAL 26 7.085 -24.041 31.357 1.00 2.33 ATOM 400 CG1 VAL 26 5.079 -23.377 31.237 1.00 52.42 ATOM 401 HG11 VAL 26 4.541 -22.484 30.965 1.00 10.02 ATOM 402 HG12 VAL 26 4.881 -23.613 32.273 1.00 13.14 ATOM 403 HG13 VAL 26 4.756 -24.195 30.620 1.00 1.15 ATOM 404 CG2 VAL 26 6.894 -22.889 29.581 1.00 51.50 ATOM 405 HG21 VAL 26 6.616 -23.759 29.003 1.00 52.52 ATOM 406 HG22 VAL 26 7.948 -22.712 29.453 1.00 1.42 ATOM 407 HG23 VAL 26 6.334 -22.040 29.223 1.00 55.22 ATOM 408 C VAL 26 8.565 -22.014 32.034 1.00 32.43 ATOM 409 O VAL 26 9.105 -22.616 32.964 1.00 14.41 ATOM 410 N LEU 27 9.250 -21.381 31.089 1.00 72.25 ATOM 411 HN LEU 27 8.787 -20.934 30.352 1.00 38.16 ATOM 412 CA LEU 27 10.708 -21.355 31.088 1.00 64.01 ATOM 413 HA LEU 27 11.071 -21.856 31.978 1.00 50.42 ATOM 414 CB LEU 27 11.251 -22.103 29.869 1.00 50.44 ATOM 415 HB1 LEU 27 10.705 -21.750 29.006 1.00 38.16 ATOM 416 HB2 LEU 27 11.040 -23.141 29.998 1.00 5.52 ATOM 417 CG LEU 27 12.745 -21.934 29.588 1.00 74.30 ATOM 418 HG LEU 27 12.996 -20.893 29.562 1.00 61.13 ATOM 419 CD1 LEU 27 13.571 -22.587 30.685 1.00 32.41 ATOM 420 HD11 LEU 27 13.383 -23.646 30.699 1.00 20.13 ATOM 421 HD12 LEU 27 13.306 -22.162 31.643 1.00 11.42 ATOM 422 HD13 LEU 27 14.622 -22.413 30.498 1.00 23.31 ATOM 423 CD2 LEU 27 13.101 -22.519 28.229 1.00 23.32 ATOM 424 HD21 LEU 27 14.155 -22.371 28.035 1.00 34.44 ATOM 425 HD22 LEU 27 12.526 -22.024 27.459 1.00 54.31 ATOM 426 HD23 LEU 27 12.879 -23.578 28.217 1.00 2.24 ATOM 427 C LEU 27 11.227 -19.921 31.092 1.00 43.35 ATOM 428 O LEU 27 10.822 -19.102 30.267 1.00 63.54 ATOM 429 N GLU 28 12.127 -19.625 32.024 1.00 1.42 ATOM 430 HN GLU 28 12.414 -20.324 32.659 1.00 38.16 ATOM 431 CA GLU 28 12.702 -18.289 32.133 1.00 21.04 ATOM 432 HA GLU 28 11.904 -17.601 32.377 1.00 23.31 ATOM 433 CB GLU 28 13.747 -18.249 33.250 1.00 21.24 ATOM 434 HB1 GLU 28 13.302 -18.644 34.153 1.00 38.16 ATOM 435 HB2 GLU 28 14.034 -17.221 33.420 1.00 63.40 ATOM 436 CG GLU 28 14.999 -19.052 32.941 1.00 24.32 ATOM 437 HG1 GLU 28 15.478 -18.642 32.065 1.00 38.16 ATOM 438 HG2 GLU 28 14.718 -20.077 32.749 1.00 12.11 ATOM 439 CD GLU 28 16.002 -19.030 34.078 1.00 22.14 ATOM 440 OE1 GLU 28 16.385 -20.119 34.554 1.00 31.31 ATOM 441 OE2 GLU 28 16.404 -17.922 34.492 1.00 23.54 ATOM 442 C GLU 28 13.336 -17.860 30.813 1.00 22.12 ATOM 443 O GLU 28 13.616 -18.690 29.948 1.00 1.02 ATOM 444 N SER 29 13.559 -16.558 30.666 1.00 22.11 ATOM 445 HN SER 29 13.330 -15.940 31.401 1.00 38.16 ATOM 446 CA SER 29 14.156 -16.017 29.450 1.00 31.34 ATOM 447 HA SER 29 13.960 -16.709 28.641 1.00 22.33 ATOM 448 CB SER 29 13.518 -14.672 29.098 1.00 35.24 ATOM 449 HB1 SER 29 12.957 -14.293 29.942 1.00 38.16 ATOM 450 HB2 SER 29 12.860 -14.800 28.262 1.00 23.02 ATOM 451 OG SER 29 14.503 -13.717 28.746 1.00 52.14 ATOM 452 HG SER 29 14.076 -12.928 28.403 1.00 40.33 ATOM 453 C SER 29 15.664 -15.850 29.613 1.00 34.41 ATOM 454 O SER 29 16.191 -15.793 30.724 1.00 44.31 ATOM 455 N PRO 30 16.375 -15.771 28.479 1.00 60.03 ATOM 456 CA PRO 30 17.832 -15.609 28.468 1.00 71.23 ATOM 457 HA PRO 30 18.320 -16.368 29.063 1.00 11.21 ATOM 458 CB PRO 30 18.199 -15.799 26.994 1.00 53.53 ATOM 459 HB1 PRO 30 18.446 -16.833 26.840 1.00 38.16 ATOM 460 HB2 PRO 30 19.039 -15.182 26.706 1.00 33.52 ATOM 461 CG PRO 30 16.966 -15.425 26.246 1.00 73.24 ATOM 462 HG1 PRO 30 16.922 -15.949 25.307 1.00 38.16 ATOM 463 HG2 PRO 30 16.948 -14.358 26.080 1.00 5.22 ATOM 464 CD PRO 30 15.812 -15.833 27.120 1.00 52.45 ATOM 465 HD1 PRO 30 15.507 -16.839 26.880 1.00 38.16 ATOM 466 HD2 PRO 30 14.996 -15.152 26.985 1.00 30.20 ATOM 467 C PRO 30 18.266 -14.230 28.952 1.00 53.23 ATOM 468 O PRO 30 17.455 -13.455 29.459 1.00 13.04 ATOM 469 N LYS 31 19.550 -13.928 28.791 1.00 73.30 ATOM 470 HN LYS 31 20.167 -14.600 28.419 1.00 38.16 ATOM 471 CA LYS 31 20.092 -12.641 29.210 1.00 61.24 ATOM 472 HA LYS 31 19.333 -12.110 29.764 1.00 21.30 ATOM 473 CB LYS 31 21.326 -12.847 30.091 1.00 10.02 ATOM 474 HB1 LYS 31 22.059 -12.073 29.889 1.00 38.16 ATOM 475 HB2 LYS 31 21.771 -13.805 29.860 1.00 13.04 ATOM 476 CG LYS 31 21.021 -12.822 31.579 1.00 24.50 ATOM 477 HG1 LYS 31 21.926 -13.065 32.119 1.00 38.16 ATOM 478 HG2 LYS 31 20.271 -13.573 31.786 1.00 65.15 ATOM 479 CD LYS 31 20.536 -11.454 32.026 1.00 13.13 ATOM 480 HD1 LYS 31 20.130 -10.895 31.197 1.00 38.16 ATOM 481 HD2 LYS 31 21.378 -10.911 32.429 1.00 2.32 ATOM 482 CE LYS 31 19.466 -11.566 33.101 1.00 34.34 ATOM 483 HE1 LYS 31 18.962 -12.522 33.037 1.00 38.16 ATOM 484 HE2 LYS 31 18.744 -10.780 32.940 1.00 34.20 ATOM 485 NZ LYS 31 20.034 -11.408 34.469 1.00 61.24 ATOM 486 HZ1 LYS 31 20.485 -10.474 34.568 1.00 32.55 ATOM 487 HZ2 LYS 31 20.745 -12.146 34.654 1.00 15.34 ATOM 488 HZ3 LYS 31 19.278 -11.490 35.178 1.00 2.12 ATOM 489 C LYS 31 20.455 -11.785 28.001 1.00 40.41 ATOM 490 O LYS 31 20.511 -10.558 28.090 1.00 4.14 ATOM 491 N LYS 32 20.699 -12.438 26.870 1.00 21.21 ATOM 492 HN LYS 32 20.680 -13.418 26.851 1.00 38.16 ATOM 493 CA LYS 32 21.054 -11.737 25.642 1.00 71.12 ATOM 494 HA LYS 32 20.528 -10.790 25.617 1.00 31.14 ATOM 495 CB LYS 32 22.560 -11.466 25.601 1.00 35.35 ATOM 496 HB1 LYS 32 22.809 -10.821 26.431 1.00 38.16 ATOM 497 HB2 LYS 32 22.814 -10.953 24.684 1.00 30.22 ATOM 498 CG LYS 32 23.407 -12.721 25.720 1.00 33.44 ATOM 499 HG1 LYS 32 23.034 -13.474 25.038 1.00 38.16 ATOM 500 HG2 LYS 32 23.343 -13.089 26.733 1.00 42.25 ATOM 501 CD LYS 32 24.864 -12.443 25.393 1.00 62.53 ATOM 502 HD1 LYS 32 25.281 -11.816 26.169 1.00 38.16 ATOM 503 HD2 LYS 32 24.926 -11.931 24.441 1.00 53.54 ATOM 504 CE LYS 32 25.671 -13.730 25.304 1.00 33.05 ATOM 505 HE1 LYS 32 25.594 -14.118 24.299 1.00 38.16 ATOM 506 HE2 LYS 32 25.275 -14.458 26.001 1.00 63.21 ATOM 507 NZ LYS 32 27.108 -13.507 25.624 1.00 11.32 ATOM 508 HZ1 LYS 32 27.526 -12.825 24.957 1.00 34.41 ATOM 509 HZ2 LYS 32 27.630 -14.403 25.554 1.00 72.00 ATOM 510 HZ3 LYS 32 27.210 -13.137 26.592 1.00 44.52 ATOM 511 C LYS 32 20.639 -12.544 24.416 1.00 53.24 ATOM 512 O LYS 32 19.989 -13.583 24.534 1.00 74.14 ATOM 513 N THR 33 21.020 -12.060 23.237 1.00 15.34 ATOM 514 HN THR 33 21.499 -11.202 23.191 1.00 38.16 ATOM 515 CA THR 33 20.687 -12.736 21.990 1.00 42.42 ATOM 516 HA THR 33 19.613 -12.656 21.859 1.00 3.31 ATOM 517 CB THR 33 21.378 -12.066 20.787 1.00 70.02 ATOM 518 HB THR 33 22.423 -12.352 20.769 1.00 40.14 ATOM 519 OG1 THR 33 21.300 -10.641 20.908 1.00 64.31 ATOM 520 HG1 THR 33 20.380 -10.346 20.941 1.00 65.11 ATOM 521 CG2 THR 33 20.734 -12.505 19.480 1.00 3.31 ATOM 522 HG21 THR 33 20.838 -13.574 19.364 1.00 73.31 ATOM 523 HG22 THR 33 21.223 -12.007 18.656 1.00 10.32 ATOM 524 HG23 THR 33 19.685 -12.243 19.486 1.00 74.12 ATOM 525 C THR 33 21.087 -14.206 22.037 1.00 4.24 ATOM 526 O THR 33 22.213 -14.540 22.408 1.00 60.42 ATOM 527 N ILE 34 20.160 -15.079 21.660 1.00 32.11 ATOM 528 HN ILE 34 19.278 -14.752 21.362 1.00 38.16 ATOM 529 CA ILE 34 20.418 -16.514 21.658 1.00 13.34 ATOM 530 HA ILE 34 20.999 -16.759 22.542 1.00 14.34 ATOM 531 CB ILE 34 19.107 -17.321 21.703 1.00 61.44 ATOM 532 HB ILE 34 18.532 -17.089 20.817 1.00 11.54 ATOM 533 CG1 ILE 34 18.289 -16.941 22.938 1.00 3.54 ATOM 534 HG11 ILE 34 17.364 -17.502 22.938 1.00 38.16 ATOM 535 HG12 ILE 34 18.058 -15.886 22.905 1.00 32.21 ATOM 536 CG2 ILE 34 19.404 -18.813 21.696 1.00 20.54 ATOM 537 HG21 ILE 34 20.202 -19.046 22.387 1.00 63.42 ATOM 538 HG22 ILE 34 19.694 -19.100 20.707 1.00 25.11 ATOM 539 HG23 ILE 34 18.516 -19.364 21.976 1.00 22.23 ATOM 540 CD1 ILE 34 19.001 -17.220 24.244 1.00 72.24 ATOM 541 HD11 ILE 34 19.386 -16.295 24.638 1.00 64.12 ATOM 542 HD12 ILE 34 19.820 -17.911 24.111 1.00 63.22 ATOM 543 HD13 ILE 34 18.297 -17.640 24.942 1.00 54.34 ATOM 544 C ILE 34 21.215 -16.927 20.426 1.00 24.44 ATOM 545 O ILE 34 20.645 -17.273 19.392 1.00 33.20 ATOM 546 N SER 35 22.539 -16.891 20.545 1.00 32.14 ATOM 547 HN SER 35 22.938 -16.616 21.405 1.00 38.16 ATOM 548 CA SER 35 23.416 -17.260 19.441 1.00 70.54 ATOM 549 HA SER 35 23.082 -16.741 18.551 1.00 54.43 ATOM 550 CB SER 35 24.855 -16.837 19.741 1.00 41.34 ATOM 551 HB1 SER 35 24.964 -15.784 19.520 1.00 38.16 ATOM 552 HB2 SER 35 25.548 -17.399 19.127 1.00 3.54 ATOM 553 OG SER 35 25.176 -17.050 21.104 1.00 31.52 ATOM 554 HG SER 35 25.103 -16.224 21.590 1.00 70.44 ATOM 555 C SER 35 23.360 -18.763 19.181 1.00 12.12 ATOM 556 O SER 35 23.639 -19.224 18.074 1.00 15.31 ATOM 557 N ASP 36 22.997 -19.521 20.210 1.00 25.10 ATOM 558 HN ASP 36 22.812 -19.115 21.086 1.00 38.16 ATOM 559 CA ASP 36 22.903 -20.972 20.095 1.00 41.21 ATOM 560 HA ASP 36 22.994 -21.259 19.056 1.00 4.53 ATOM 561 CB ASP 36 24.046 -21.641 20.860 1.00 12.13 ATOM 562 HB1 ASP 36 24.225 -22.620 20.441 1.00 38.16 ATOM 563 HB2 ASP 36 23.789 -21.743 21.907 1.00 73.24 ATOM 564 CG ASP 36 25.336 -20.849 20.783 1.00 64.24 ATOM 565 OD1 ASP 36 25.629 -20.097 21.735 1.00 32.14 ATOM 566 OD2 ASP 36 26.054 -20.981 19.768 1.00 34.05 ATOM 567 C ASP 36 21.561 -21.472 20.620 1.00 61.53 ATOM 568 O ASP 36 21.466 -22.048 21.704 1.00 64.21 ATOM 569 N PRO 37 20.497 -21.248 19.834 1.00 22.02 ATOM 570 CA PRO 37 19.141 -21.668 20.199 1.00 0.14 ATOM 571 HA PRO 37 18.859 -21.317 21.174 1.00 15.31 ATOM 572 CB PRO 37 18.265 -21.005 19.133 1.00 64.41 ATOM 573 HB1 PRO 37 17.914 -20.053 19.502 1.00 38.16 ATOM 574 HB2 PRO 37 17.415 -21.631 18.887 1.00 74.24 ATOM 575 CG PRO 37 19.168 -20.823 17.961 1.00 34.45 ATOM 576 HG1 PRO 37 18.843 -19.973 17.379 1.00 38.16 ATOM 577 HG2 PRO 37 19.169 -21.713 17.352 1.00 14.11 ATOM 578 CD PRO 37 20.536 -20.568 18.529 1.00 45.41 ATOM 579 HD1 PRO 37 20.706 -19.514 18.646 1.00 38.16 ATOM 580 HD2 PRO 37 21.285 -21.002 17.885 1.00 3.03 ATOM 581 C PRO 37 18.973 -23.183 20.161 1.00 41.03 ATOM 582 O PRO 37 18.357 -23.771 21.049 1.00 51.40 ATOM 583 N GLU 38 19.526 -23.809 19.126 1.00 15.11 ATOM 584 HN GLU 38 20.025 -23.296 18.455 1.00 38.16 ATOM 585 CA GLU 38 19.436 -25.256 18.973 1.00 35.20 ATOM 586 HA GLU 38 18.401 -25.502 18.797 1.00 11.53 ATOM 587 CB GLU 38 20.279 -25.719 17.783 1.00 1.12 ATOM 588 HB1 GLU 38 20.456 -26.787 17.870 1.00 38.16 ATOM 589 HB2 GLU 38 21.231 -25.206 17.808 1.00 53.12 ATOM 590 CG GLU 38 19.631 -25.448 16.436 1.00 45.52 ATOM 591 HG1 GLU 38 19.919 -24.460 16.107 1.00 38.16 ATOM 592 HG2 GLU 38 18.554 -25.492 16.537 1.00 52.03 ATOM 593 CD GLU 38 20.046 -26.450 15.377 1.00 65.15 ATOM 594 OE1 GLU 38 19.522 -27.583 15.395 1.00 32.43 ATOM 595 OE2 GLU 38 20.895 -26.102 14.530 1.00 63.15 ATOM 596 C GLU 38 19.894 -25.967 20.243 1.00 63.31 ATOM 597 O GLU 38 19.329 -26.987 20.635 1.00 13.24 ATOM 598 N GLY 39 20.925 -25.421 20.881 1.00 41.32 ATOM 599 HN GLY 39 21.360 -24.615 20.526 1.00 38.16 ATOM 600 CA GLY 39 21.444 -26.016 22.099 1.00 54.52 ATOM 601 HA1 GLY 39 22.490 -25.760 22.185 1.00 38.16 ATOM 602 HA2 GLY 39 21.357 -27.095 22.051 1.00 31.03 ATOM 603 C GLY 39 20.725 -25.519 23.338 1.00 70.42 ATOM 604 O GLY 39 20.512 -26.276 24.286 1.00 41.24 ATOM 605 N PHE 40 20.351 -24.244 23.332 1.00 21.23 ATOM 606 HN PHE 40 20.559 -23.678 22.551 1.00 38.16 ATOM 607 CA PHE 40 19.655 -23.647 24.466 1.00 55.14 ATOM 608 HA PHE 40 20.301 -23.715 25.331 1.00 2.34 ATOM 609 CB PHE 40 19.356 -22.172 24.188 1.00 32.12 ATOM 610 HB1 PHE 40 18.833 -22.095 23.243 1.00 38.16 ATOM 611 HB2 PHE 40 20.293 -21.635 24.111 1.00 20.01 ATOM 612 CG PHE 40 18.519 -21.520 25.251 1.00 55.21 ATOM 613 CD1 PHE 40 19.113 -20.931 26.355 1.00 13.04 ATOM 614 HD1 PHE 40 20.190 -20.941 26.451 1.00 52.32 ATOM 615 CD2 PHE 40 17.137 -21.496 25.146 1.00 61.04 ATOM 616 HD2 PHE 40 16.660 -21.957 24.297 1.00 33.32 ATOM 617 CE1 PHE 40 18.345 -20.329 27.335 1.00 21.50 ATOM 618 HE1 PHE 40 18.820 -19.874 28.191 1.00 3.20 ATOM 619 CE2 PHE 40 16.365 -20.896 26.122 1.00 55.33 ATOM 620 HE2 PHE 40 15.295 -20.898 26.043 1.00 32.33 ATOM 621 CZ PHE 40 16.969 -20.313 27.218 1.00 1.14 ATOM 622 HZ PHE 40 16.367 -19.844 27.982 1.00 14.01 ATOM 623 C PHE 40 18.357 -24.393 24.761 1.00 31.33 ATOM 624 O PHE 40 17.868 -24.388 25.892 1.00 71.12 ATOM 625 N LEU 41 17.804 -25.034 23.737 1.00 32.05 ATOM 626 HN LEU 41 18.209 -24.979 22.843 1.00 38.16 ATOM 627 CA LEU 41 16.562 -25.785 23.886 1.00 61.42 ATOM 628 HA LEU 41 15.943 -25.277 24.610 1.00 23.34 ATOM 629 CB LEU 41 15.826 -25.861 22.547 1.00 32.12 ATOM 630 HB1 LEU 41 15.231 -26.769 22.518 1.00 38.16 ATOM 631 HB2 LEU 41 16.574 -25.927 21.769 1.00 52.14 ATOM 632 CG LEU 41 14.906 -24.684 22.219 1.00 21.35 ATOM 633 HG LEU 41 15.467 -23.767 22.310 1.00 50.15 ATOM 634 CD1 LEU 41 14.398 -24.786 20.790 1.00 73.12 ATOM 635 HD11 LEU 41 13.959 -23.852 20.517 1.00 35.32 ATOM 636 HD12 LEU 41 13.660 -25.573 20.710 1.00 55.53 ATOM 637 HD13 LEU 41 15.221 -24.999 20.120 1.00 3.12 ATOM 638 CD2 LEU 41 13.743 -24.628 23.199 1.00 75.04 ATOM 639 HD21 LEU 41 14.113 -24.532 24.207 1.00 14.31 ATOM 640 HD22 LEU 41 13.152 -25.529 23.119 1.00 22.43 ATOM 641 HD23 LEU 41 13.124 -23.772 22.970 1.00 73.13 ATOM 642 C LEU 41 16.836 -27.192 24.409 1.00 51.12 ATOM 643 O LEU 41 16.231 -27.628 25.387 1.00 31.44 ATOM 644 N GLN 42 17.753 -27.894 23.751 1.00 74.31 ATOM 645 HN GLN 42 18.202 -27.489 22.970 1.00 38.16 ATOM 646 CA GLN 42 18.107 -29.251 24.151 1.00 3.21 ATOM 647 HA GLN 42 17.240 -29.879 23.999 1.00 10.12 ATOM 648 CB GLN 42 19.258 -29.775 23.290 1.00 1.42 ATOM 649 HB1 GLN 42 20.144 -29.179 23.474 1.00 38.16 ATOM 650 HB2 GLN 42 18.979 -29.665 22.251 1.00 33.15 ATOM 651 CG GLN 42 19.581 -31.240 23.533 1.00 24.01 ATOM 652 HG1 GLN 42 19.984 -31.651 22.618 1.00 38.16 ATOM 653 HG2 GLN 42 18.674 -31.775 23.786 1.00 31.22 ATOM 654 CD GLN 42 20.607 -31.437 24.632 1.00 61.01 ATOM 655 OE1 GLN 42 21.767 -31.048 24.491 1.00 12.35 ATOM 656 NE2 GLN 42 20.185 -32.044 25.735 1.00 75.24 ATOM 657 HE21 GLN 42 19.247 -32.335 25.796 1.00 71.43 ATOM 658 HE22 GLN 42 20.835 -32.180 26.456 1.00 24.33 ATOM 659 C GLN 42 18.496 -29.299 25.625 1.00 61.40 ATOM 660 O GLN 42 18.080 -30.197 26.357 1.00 5.23 ATOM 661 N ALA 43 19.296 -28.329 26.053 1.00 4.51 ATOM 662 HN ALA 43 19.607 -27.640 25.418 1.00 38.16 ATOM 663 CA ALA 43 19.740 -28.260 27.440 1.00 51.11 ATOM 664 HA ALA 43 20.247 -29.186 27.680 1.00 22.22 ATOM 665 CB ALA 43 20.734 -27.122 27.620 1.00 14.15 ATOM 666 HB1 ALA 43 21.563 -27.262 26.942 1.00 34.24 ATOM 667 HB2 ALA 43 21.100 -27.116 28.637 1.00 43.22 ATOM 668 HB3 ALA 43 20.251 -26.179 27.405 1.00 62.24 ATOM 669 C ALA 43 18.557 -28.087 28.387 1.00 61.14 ATOM 670 O ALA 43 18.443 -28.794 29.388 1.00 72.01 ATOM 671 N SER 44 17.680 -27.142 28.064 1.00 74.32 ATOM 672 HN SER 44 17.826 -26.608 27.247 1.00 38.16 ATOM 673 CA SER 44 16.507 -26.874 28.888 1.00 4.25 ATOM 674 HA SER 44 16.837 -26.722 29.908 1.00 54.24 ATOM 675 CB SER 44 15.798 -25.607 28.407 1.00 50.15 ATOM 676 HB1 SER 44 14.728 -25.697 28.558 1.00 38.16 ATOM 677 HB2 SER 44 15.991 -25.452 27.355 1.00 71.32 ATOM 678 OG SER 44 16.245 -24.468 29.122 1.00 63.40 ATOM 679 HG SER 44 17.083 -24.168 28.761 1.00 40.03 ATOM 680 C SER 44 15.541 -28.054 28.860 1.00 52.25 ATOM 681 O SER 44 14.768 -28.261 29.796 1.00 74.44 ATOM 682 N LEU 45 15.590 -28.824 27.779 1.00 63.35 ATOM 683 HN LEU 45 16.215 -28.611 27.050 1.00 38.16 ATOM 684 CA LEU 45 14.720 -29.985 27.626 1.00 54.24 ATOM 685 HA LEU 45 13.774 -29.778 28.112 1.00 63.20 ATOM 686 CB LEU 45 14.452 -30.254 26.144 1.00 74.22 ATOM 687 HB1 LEU 45 13.921 -31.189 26.053 1.00 38.16 ATOM 688 HB2 LEU 45 15.416 -30.358 25.668 1.00 12.42 ATOM 689 CG LEU 45 13.666 -29.176 25.397 1.00 41.31 ATOM 690 HG LEU 45 13.999 -28.200 25.714 1.00 1.23 ATOM 691 CD1 LEU 45 13.901 -29.286 23.898 1.00 12.24 ATOM 692 HD11 LEU 45 14.934 -29.538 23.691 1.00 42.10 ATOM 693 HD12 LEU 45 13.672 -28.337 23.436 1.00 33.33 ATOM 694 HD13 LEU 45 13.257 -30.036 23.490 1.00 25.42 ATOM 695 CD2 LEU 45 12.182 -29.280 25.715 1.00 33.22 ATOM 696 HD21 LEU 45 11.653 -28.465 25.247 1.00 44.40 ATOM 697 HD22 LEU 45 12.037 -29.224 26.785 1.00 31.35 ATOM 698 HD23 LEU 45 11.793 -30.220 25.349 1.00 5.31 ATOM 699 C LEU 45 15.338 -31.219 28.275 1.00 51.22 ATOM 700 O LEU 45 14.643 -32.190 28.575 1.00 63.13 ATOM 701 N LYS 46 16.648 -31.173 28.491 1.00 21.33 ATOM 702 HN LYS 46 17.163 -30.392 28.202 1.00 38.16 ATOM 703 CA LYS 46 17.361 -32.285 29.109 1.00 61.35 ATOM 704 HA LYS 46 17.337 -33.115 28.416 1.00 53.51 ATOM 705 CB LYS 46 18.816 -31.897 29.380 1.00 23.11 ATOM 706 HB1 LYS 46 18.856 -31.224 30.229 1.00 38.16 ATOM 707 HB2 LYS 46 19.202 -31.381 28.511 1.00 4.42 ATOM 708 CG LYS 46 19.722 -33.085 29.654 1.00 70.44 ATOM 709 HG1 LYS 46 19.846 -33.651 28.742 1.00 38.16 ATOM 710 HG2 LYS 46 19.251 -33.700 30.400 1.00 62.12 ATOM 711 CD LYS 46 21.086 -32.643 30.156 1.00 41.11 ATOM 712 HD1 LYS 46 20.993 -31.714 30.707 1.00 38.16 ATOM 713 HD2 LYS 46 21.738 -32.494 29.309 1.00 60.22 ATOM 714 CE LYS 46 21.708 -33.686 31.072 1.00 40.13 ATOM 715 HE1 LYS 46 21.804 -34.617 30.530 1.00 38.16 ATOM 716 HE2 LYS 46 21.062 -33.832 31.926 1.00 74.12 ATOM 717 NZ LYS 46 23.054 -33.269 31.554 1.00 14.44 ATOM 718 HZ1 LYS 46 22.987 -32.378 32.089 1.00 34.31 ATOM 719 HZ2 LYS 46 23.700 -33.130 30.750 1.00 22.35 ATOM 720 HZ3 LYS 46 23.450 -34.002 32.176 1.00 71.04 ATOM 721 C LYS 46 16.686 -32.710 30.409 1.00 41.03 ATOM 722 O LYS 46 16.273 -33.860 30.558 1.00 74.03 ATOM 723 N ASP 47 16.577 -31.775 31.346 1.00 53.11 ATOM 724 HN ASP 47 16.894 -30.865 31.141 1.00 38.16 ATOM 725 CA ASP 47 15.949 -32.052 32.633 1.00 41.12 ATOM 726 HA ASP 47 16.511 -32.838 33.119 1.00 54.32 ATOM 727 CB ASP 47 15.980 -30.805 33.518 1.00 21.23 ATOM 728 HB1 ASP 47 15.801 -31.095 34.543 1.00 38.16 ATOM 729 HB2 ASP 47 15.208 -30.113 33.204 1.00 3.32 ATOM 730 CG ASP 47 17.310 -30.081 33.452 1.00 41.45 ATOM 731 OD1 ASP 47 18.237 -30.472 34.191 1.00 2.14 ATOM 732 OD2 ASP 47 17.424 -29.123 32.659 1.00 42.33 ATOM 733 C ASP 47 14.510 -32.522 32.446 1.00 61.34 ATOM 734 O ASP 47 14.077 -33.491 33.069 1.00 52.44 ATOM 735 N GLY 48 13.773 -31.829 31.583 1.00 3.41 ATOM 736 HN GLY 48 14.157 -31.056 31.112 1.00 38.16 ATOM 737 CA GLY 48 12.391 -32.190 31.330 1.00 14.42 ATOM 738 HA1 GLY 48 12.258 -33.253 31.434 1.00 38.16 ATOM 739 HA2 GLY 48 12.157 -31.919 30.310 1.00 2.43 ATOM 740 C GLY 48 11.425 -31.462 32.245 1.00 70.24 ATOM 741 O GLY 48 10.227 -31.395 31.968 1.00 62.31 ATOM 742 N VAL 49 11.946 -30.916 33.339 1.00 32.41 ATOM 743 HN VAL 49 12.901 -30.959 33.489 1.00 38.16 ATOM 744 CA VAL 49 11.122 -30.191 34.298 1.00 15.31 ATOM 745 HA VAL 49 10.458 -30.904 34.770 1.00 50.21 ATOM 746 CB VAL 49 11.982 -29.528 35.390 1.00 44.44 ATOM 747 HB VAL 49 12.604 -28.771 34.929 1.00 2.14 ATOM 748 CG1 VAL 49 11.100 -28.850 36.427 1.00 25.03 ATOM 749 HG11 VAL 49 10.367 -29.551 36.803 1.00 52.24 ATOM 750 HG12 VAL 49 10.600 -28.014 35.978 1.00 0.12 ATOM 751 HG13 VAL 49 11.708 -28.495 37.249 1.00 13.25 ATOM 752 CG2 VAL 49 12.897 -30.553 36.043 1.00 74.13 ATOM 753 HG21 VAL 49 13.635 -30.890 35.334 1.00 2.33 ATOM 754 HG22 VAL 49 12.315 -31.394 36.380 1.00 23.21 ATOM 755 HG23 VAL 49 13.402 -30.106 36.890 1.00 25.13 ATOM 756 C VAL 49 10.286 -29.120 33.605 1.00 32.32 ATOM 757 O VAL 49 9.193 -28.779 34.059 1.00 25.53 ATOM 758 N VAL 50 10.806 -28.593 32.502 1.00 45.04 ATOM 759 HN VAL 50 11.702 -28.862 32.200 1.00 38.16 ATOM 760 CA VAL 50 10.108 -27.562 31.744 1.00 52.31 ATOM 761 HA VAL 50 9.596 -26.906 32.442 1.00 62.21 ATOM 762 CB VAL 50 11.090 -26.709 30.919 1.00 0.11 ATOM 763 HB VAL 50 11.615 -27.358 30.231 1.00 55.44 ATOM 764 CG1 VAL 50 10.339 -25.665 30.107 1.00 0.42 ATOM 765 HG11 VAL 50 11.050 -25.091 29.532 1.00 10.44 ATOM 766 HG12 VAL 50 9.795 -25.006 30.768 1.00 51.24 ATOM 767 HG13 VAL 50 9.650 -26.140 29.426 1.00 52.24 ATOM 768 CG2 VAL 50 12.118 -26.052 31.828 1.00 14.31 ATOM 769 HG21 VAL 50 12.625 -26.806 32.415 1.00 41.00 ATOM 770 HG22 VAL 50 11.628 -25.353 32.490 1.00 21.21 ATOM 771 HG23 VAL 50 12.842 -25.531 31.226 1.00 63.43 ATOM 772 C VAL 50 9.073 -28.174 30.807 1.00 70.32 ATOM 773 O VAL 50 8.004 -27.604 30.586 1.00 11.43 ATOM 774 N LEU 51 9.397 -29.340 30.258 1.00 52.21 ATOM 775 HN LEU 51 10.278 -29.737 30.444 1.00 38.16 ATOM 776 CA LEU 51 8.495 -30.032 29.344 1.00 53.12 ATOM 777 HA LEU 51 8.374 -29.410 28.470 1.00 3.54 ATOM 778 CB LEU 51 9.084 -31.385 28.941 1.00 45.43 ATOM 779 HB1 LEU 51 8.282 -32.090 28.811 1.00 38.16 ATOM 780 HB2 LEU 51 9.702 -31.741 29.748 1.00 22.50 ATOM 781 CG LEU 51 9.926 -31.396 27.664 1.00 74.42 ATOM 782 HG LEU 51 10.735 -30.689 27.770 1.00 62.13 ATOM 783 CD1 LEU 51 10.532 -32.772 27.437 1.00 71.43 ATOM 784 HD11 LEU 51 9.746 -33.497 27.274 1.00 4.43 ATOM 785 HD12 LEU 51 11.100 -33.051 28.307 1.00 32.50 ATOM 786 HD13 LEU 51 11.184 -32.745 26.575 1.00 14.22 ATOM 787 CD2 LEU 51 9.084 -30.978 26.467 1.00 60.11 ATOM 788 HD21 LEU 51 9.218 -31.668 25.643 1.00 55.10 ATOM 789 HD22 LEU 51 9.394 -29.994 26.149 1.00 62.23 ATOM 790 HD23 LEU 51 8.037 -30.943 26.735 1.00 12.44 ATOM 791 C LEU 51 7.123 -30.232 29.980 1.00 52.31 ATOM 792 O LEU 51 6.108 -29.786 29.443 1.00 11.32 ATOM 793 N CYS 52 7.100 -30.902 31.126 1.00 22.23 ATOM 794 HN CYS 52 7.948 -31.237 31.505 1.00 38.16 ATOM 795 CA CYS 52 5.853 -31.160 31.837 1.00 54.21 ATOM 796 HA CYS 52 5.241 -31.800 31.215 1.00 41.53 ATOM 797 CB CYS 52 6.135 -31.858 33.168 1.00 15.11 ATOM 798 HB1 CYS 52 5.330 -31.663 33.867 1.00 38.16 ATOM 799 HB2 CYS 52 7.055 -31.472 33.575 1.00 5.42 ATOM 800 SG CYS 52 6.307 -33.653 33.038 1.00 32.13 ATOM 801 HG CYS 52 7.596 -33.947 33.121 1.00 34.41 ATOM 802 C CYS 52 5.088 -29.863 32.081 1.00 41.22 ATOM 803 O CYS 52 3.881 -29.789 31.849 1.00 63.01 ATOM 804 N ARG 53 5.798 -28.843 32.552 1.00 43.15 ATOM 805 HN ARG 53 6.761 -28.965 32.731 1.00 38.16 ATOM 806 CA ARG 53 5.186 -27.549 32.830 1.00 60.41 ATOM 807 HA ARG 53 4.486 -27.680 33.645 1.00 31.13 ATOM 808 CB ARG 53 6.254 -26.533 33.238 1.00 50.12 ATOM 809 HB1 ARG 53 5.862 -25.529 33.118 1.00 38.16 ATOM 810 HB2 ARG 53 7.110 -26.649 32.592 1.00 74.50 ATOM 811 CG ARG 53 6.714 -26.678 34.679 1.00 21.21 ATOM 812 HG1 ARG 53 7.000 -27.706 34.857 1.00 38.16 ATOM 813 HG2 ARG 53 5.899 -26.414 35.334 1.00 33.41 ATOM 814 CD ARG 53 7.905 -25.781 34.977 1.00 42.22 ATOM 815 HD1 ARG 53 7.592 -24.748 34.930 1.00 38.16 ATOM 816 HD2 ARG 53 8.666 -25.954 34.226 1.00 13.41 ATOM 817 NE ARG 53 8.486 -26.059 36.287 1.00 22.25 ATOM 818 HE ARG 53 9.324 -26.557 36.309 1.00 31.51 ATOM 819 CZ ARG 53 7.940 -25.665 37.432 1.00 33.03 ATOM 820 NH1 ARG 53 6.805 -24.980 37.428 1.00 52.44 ATOM 821 HH11 ARG 53 6.338 -24.742 36.583 1.00 65.15 ATOM 822 HH12 ARG 53 6.402 -24.691 38.299 1.00 32.01 ATOM 823 NH2 ARG 53 8.528 -25.957 38.585 1.00 4.00 ATOM 824 HH21 ARG 53 9.385 -26.475 38.596 1.00 50.25 ATOM 825 HH22 ARG 53 8.117 -25.660 39.450 1.00 54.11 ATOM 826 C ARG 53 4.420 -27.038 31.614 1.00 53.33 ATOM 827 O ARG 53 3.284 -26.576 31.731 1.00 34.42 ATOM 828 N LEU 54 5.048 -27.122 30.447 1.00 44.35 ATOM 829 HN LEU 54 5.963 -27.491 30.415 1.00 38.16 ATOM 830 CA LEU 54 4.426 -26.667 29.208 1.00 44.22 ATOM 831 HA LEU 54 4.260 -25.606 29.280 1.00 12.52 ATOM 832 CB LEU 54 5.351 -26.940 28.020 1.00 54.52 ATOM 833 HB1 LEU 54 5.743 -27.937 28.128 1.00 38.16 ATOM 834 HB2 LEU 54 6.180 -26.247 28.073 1.00 60.13 ATOM 835 CG LEU 54 4.713 -26.830 26.634 1.00 10.44 ATOM 836 HG LEU 54 3.821 -27.431 26.596 1.00 13.41 ATOM 837 CD1 LEU 54 4.319 -25.390 26.341 1.00 73.52 ATOM 838 HD11 LEU 54 5.205 -24.777 26.343 1.00 11.25 ATOM 839 HD12 LEU 54 3.634 -25.037 27.099 1.00 53.50 ATOM 840 HD13 LEU 54 3.842 -25.332 25.373 1.00 0.13 ATOM 841 CD2 LEU 54 5.663 -27.353 25.567 1.00 42.50 ATOM 842 HD21 LEU 54 6.626 -26.870 25.666 1.00 71.34 ATOM 843 HD22 LEU 54 5.270 -27.148 24.594 1.00 72.04 ATOM 844 HD23 LEU 54 5.786 -28.419 25.687 1.00 73.43 ATOM 845 C LEU 54 3.082 -27.354 28.989 1.00 2.13 ATOM 846 O LEU 54 2.062 -26.695 28.782 1.00 3.13 ATOM 847 N LEU 55 3.087 -28.681 29.039 1.00 64.45 ATOM 848 HN LEU 55 3.938 -29.153 29.210 1.00 38.16 ATOM 849 CA LEU 55 1.868 -29.459 28.848 1.00 13.23 ATOM 850 HA LEU 55 1.491 -29.253 27.856 1.00 75.24 ATOM 851 CB LEU 55 2.170 -30.954 28.961 1.00 71.21 ATOM 852 HB1 LEU 55 2.662 -31.122 29.909 1.00 38.16 ATOM 853 HB2 LEU 55 2.849 -31.211 28.176 1.00 31.41 ATOM 854 CG LEU 55 0.965 -31.891 28.869 1.00 30.13 ATOM 855 HG LEU 55 0.240 -31.624 29.624 1.00 65.42 ATOM 856 CD1 LEU 55 0.292 -31.764 27.511 1.00 21.34 ATOM 857 HD11 LEU 55 -0.056 -30.751 27.370 1.00 2.35 ATOM 858 HD12 LEU 55 -0.551 -32.438 27.458 1.00 72.14 ATOM 859 HD13 LEU 55 0.985 -32.008 26.750 1.00 50.55 ATOM 860 CD2 LEU 55 1.388 -33.330 29.125 1.00 60.43 ATOM 861 HD21 LEU 55 2.435 -33.380 29.380 1.00 72.31 ATOM 862 HD22 LEU 55 1.223 -33.931 28.241 1.00 10.41 ATOM 863 HD23 LEU 55 0.804 -33.731 29.939 1.00 52.50 ATOM 864 C LEU 55 0.806 -29.065 29.870 1.00 52.32 ATOM 865 O LEU 55 -0.391 -29.209 29.622 1.00 42.55 ATOM 866 N GLU 56 1.253 -28.565 31.018 1.00 73.22 ATOM 867 HN GLU 56 2.215 -28.520 31.188 1.00 38.16 ATOM 868 CA GLU 56 0.340 -28.149 32.076 1.00 52.11 ATOM 869 HA GLU 56 -0.446 -28.893 32.160 1.00 52.53 ATOM 870 CB GLU 56 1.083 -28.046 33.410 1.00 54.24 ATOM 871 HB1 GLU 56 0.742 -27.176 33.959 1.00 38.16 ATOM 872 HB2 GLU 56 2.138 -27.931 33.224 1.00 52.11 ATOM 873 CG GLU 56 0.915 -29.269 34.296 1.00 42.42 ATOM 874 HG1 GLU 56 1.769 -29.332 34.954 1.00 38.16 ATOM 875 HG2 GLU 56 0.875 -30.159 33.682 1.00 52.33 ATOM 876 CD GLU 56 -0.339 -29.206 35.146 1.00 3.52 ATOM 877 OE1 GLU 56 -1.068 -30.218 35.203 1.00 51.24 ATOM 878 OE2 GLU 56 -0.591 -28.145 35.755 1.00 43.21 ATOM 879 C GLU 56 -0.310 -26.810 31.738 1.00 31.23 ATOM 880 O GLU 56 -1.425 -26.522 32.173 1.00 74.40 ATOM 881 N ARG 57 0.396 -25.996 30.961 1.00 50.31 ATOM 882 HN ARG 57 1.290 -26.263 30.662 1.00 38.16 ATOM 883 CA ARG 57 -0.110 -24.687 30.566 1.00 14.21 ATOM 884 HA ARG 57 -0.483 -24.193 31.452 1.00 73.03 ATOM 885 CB ARG 57 1.007 -23.853 29.937 1.00 52.35 ATOM 886 HB1 ARG 57 0.583 -23.147 29.231 1.00 38.16 ATOM 887 HB2 ARG 57 1.682 -24.499 29.405 1.00 10.54 ATOM 888 CG ARG 57 1.819 -23.061 30.948 1.00 43.42 ATOM 889 HG1 ARG 57 2.605 -22.552 30.417 1.00 38.16 ATOM 890 HG2 ARG 57 2.244 -23.736 31.675 1.00 60.30 ATOM 891 CD ARG 57 0.963 -22.027 31.663 1.00 45.44 ATOM 892 HD1 ARG 57 0.422 -22.514 32.461 1.00 38.16 ATOM 893 HD2 ARG 57 0.259 -21.614 30.951 1.00 73.02 ATOM 894 NE ARG 57 1.768 -20.947 32.228 1.00 11.22 ATOM 895 HE ARG 57 2.725 -21.120 32.387 1.00 60.22 ATOM 896 CZ ARG 57 1.278 -19.753 32.544 1.00 31.45 ATOM 897 NH1 ARG 57 -0.007 -19.488 32.352 1.00 61.41 ATOM 898 HH11 ARG 57 -0.632 -20.166 31.976 1.00 21.43 ATOM 899 HH12 ARG 57 -0.364 -18.582 32.591 1.00 23.31 ATOM 900 NH2 ARG 57 2.073 -18.822 33.055 1.00 24.21 ATOM 901 HH21 ARG 57 3.043 -19.017 33.206 1.00 64.41 ATOM 902 HH22 ARG 57 1.706 -17.920 33.291 1.00 52.54 ATOM 903 C ARG 57 -1.271 -24.826 29.585 1.00 65.13 ATOM 904 O ARG 57 -2.371 -24.331 29.833 1.00 43.01 ATOM 905 N LEU 58 -1.017 -25.502 28.470 1.00 72.24 ATOM 906 HN LEU 58 -0.127 -25.910 28.352 1.00 38.16 ATOM 907 CA LEU 58 -2.040 -25.707 27.450 1.00 51.43 ATOM 908 HA LEU 58 -2.561 -24.770 27.293 1.00 24.50 ATOM 909 CB LEU 58 -1.394 -26.131 26.130 1.00 73.24 ATOM 910 HB1 LEU 58 -2.142 -26.053 25.352 1.00 38.16 ATOM 911 HB2 LEU 58 -1.101 -27.173 26.216 1.00 1.25 ATOM 912 CG LEU 58 -0.163 -25.334 25.698 1.00 53.25 ATOM 913 HG LEU 58 0.594 -25.395 26.463 1.00 13.42 ATOM 914 CD1 LEU 58 0.428 -25.914 24.422 1.00 22.23 ATOM 915 HD11 LEU 58 1.460 -25.610 24.344 1.00 35.32 ATOM 916 HD12 LEU 58 -0.112 -25.545 23.565 1.00 44.45 ATOM 917 HD13 LEU 58 0.378 -26.991 24.444 1.00 31.15 ATOM 918 CD2 LEU 58 -0.519 -23.867 25.503 1.00 32.11 ATOM 919 HD21 LEU 58 0.349 -23.327 25.161 1.00 74.24 ATOM 920 HD22 LEU 58 -0.852 -23.446 26.440 1.00 72.24 ATOM 921 HD23 LEU 58 -1.307 -23.777 24.768 1.00 21.34 ATOM 922 C LEU 58 -3.051 -26.758 27.896 1.00 53.13 ATOM 923 O LEU 58 -4.256 -26.603 27.690 1.00 1.44 ATOM 924 N LEU 59 -2.554 -27.827 28.508 1.00 13.44 ATOM 925 HN LEU 59 -1.582 -27.916 28.635 1.00 38.16 ATOM 926 CA LEU 59 -3.415 -28.904 28.986 1.00 5.43 ATOM 927 HA LEU 59 -4.444 -28.644 28.814 1.00 55.22 ATOM 928 CB LEU 59 -3.107 -30.200 28.235 1.00 21.11 ATOM 929 HB1 LEU 59 -3.516 -31.030 28.799 1.00 38.16 ATOM 930 HB2 LEU 59 -2.035 -30.318 28.196 1.00 13.14 ATOM 931 CG LEU 59 -3.651 -30.295 26.809 1.00 2.11 ATOM 932 HG LEU 59 -3.222 -29.502 26.214 1.00 34.23 ATOM 933 CD1 LEU 59 -3.259 -31.621 26.176 1.00 53.35 ATOM 934 HD11 LEU 59 -3.675 -32.438 26.751 1.00 0.14 ATOM 935 HD12 LEU 59 -2.182 -31.708 26.156 1.00 13.14 ATOM 936 HD13 LEU 59 -3.637 -31.666 25.164 1.00 52.14 ATOM 937 CD2 LEU 59 -5.163 -30.125 26.803 1.00 40.53 ATOM 938 HD21 LEU 59 -5.616 -30.828 27.489 1.00 10.42 ATOM 939 HD22 LEU 59 -5.546 -30.304 25.806 1.00 11.55 ATOM 940 HD23 LEU 59 -5.418 -29.120 27.097 1.00 71.32 ATOM 941 C LEU 59 -3.237 -29.117 30.486 1.00 33.21 ATOM 942 O LEU 59 -2.628 -30.090 30.932 1.00 44.52 ATOM 943 N PRO 60 -3.784 -28.189 31.285 1.00 11.20 ATOM 944 CA PRO 60 -3.702 -28.255 32.747 1.00 11.02 ATOM 945 HA PRO 60 -2.679 -28.356 33.081 1.00 43.52 ATOM 946 CB PRO 60 -4.252 -26.899 33.195 1.00 15.30 ATOM 947 HB1 PRO 60 -3.442 -26.204 33.334 1.00 38.16 ATOM 948 HB2 PRO 60 -4.800 -26.996 34.125 1.00 22.31 ATOM 949 CG PRO 60 -5.144 -26.466 32.083 1.00 53.10 ATOM 950 HG1 PRO 60 -5.190 -25.388 32.048 1.00 38.16 ATOM 951 HG2 PRO 60 -6.132 -26.880 32.222 1.00 65.42 ATOM 952 CD PRO 60 -4.525 -27.003 30.822 1.00 31.35 ATOM 953 HD1 PRO 60 -3.857 -26.270 30.400 1.00 38.16 ATOM 954 HD2 PRO 60 -5.297 -27.269 30.117 1.00 45.13 ATOM 955 C PRO 60 -4.543 -29.388 33.324 1.00 34.23 ATOM 956 O PRO 60 -5.766 -29.400 33.185 1.00 63.22 ATOM 957 N GLY 61 -3.880 -30.340 33.974 1.00 33.10 ATOM 958 HN GLY 61 -2.906 -30.270 34.088 1.00 38.16 ATOM 959 CA GLY 61 -4.584 -31.465 34.563 1.00 42.51 ATOM 960 HA1 GLY 61 -5.656 -31.313 34.524 1.00 38.16 ATOM 961 HA2 GLY 61 -4.291 -31.543 35.599 1.00 41.22 ATOM 962 C GLY 61 -4.257 -32.776 33.878 1.00 64.43 ATOM 963 O GLY 61 -4.999 -33.752 33.999 1.00 43.31 ATOM 964 N THR 62 -3.142 -32.802 33.153 1.00 32.21 ATOM 965 HN THR 62 -2.576 -32.007 33.083 1.00 38.16 ATOM 966 CA THR 62 -2.720 -34.003 32.443 1.00 4.23 ATOM 967 HA THR 62 -3.540 -34.715 32.431 1.00 4.25 ATOM 968 CB THR 62 -2.345 -33.689 30.983 1.00 64.24 ATOM 969 HB THR 62 -1.420 -33.126 30.967 1.00 23.02 ATOM 970 OG1 THR 62 -3.370 -32.898 30.373 1.00 53.34 ATOM 971 HG1 THR 62 -4.218 -33.363 30.382 1.00 71.40 ATOM 972 CG2 THR 62 -2.146 -34.971 30.188 1.00 71.03 ATOM 973 HG21 THR 62 -1.973 -34.723 29.151 1.00 32.02 ATOM 974 HG22 THR 62 -3.029 -35.590 30.264 1.00 1.10 ATOM 975 HG23 THR 62 -1.293 -35.511 30.571 1.00 0.14 ATOM 976 C THR 62 -1.528 -34.658 33.132 1.00 31.24 ATOM 977 O THR 62 -1.429 -35.884 33.188 1.00 20.32 ATOM 978 N ILE 63 -0.627 -33.834 33.656 1.00 22.31 ATOM 979 HN ILE 63 -0.747 -32.862 33.579 1.00 38.16 ATOM 980 CA ILE 63 0.557 -34.335 34.343 1.00 21.12 ATOM 981 HA ILE 63 0.951 -35.172 33.773 1.00 75.54 ATOM 982 CB ILE 63 1.655 -33.258 34.431 1.00 72.42 ATOM 983 HB ILE 63 1.282 -32.434 35.025 1.00 73.23 ATOM 984 CG1 ILE 63 2.006 -32.742 33.034 1.00 15.20 ATOM 985 HG11 ILE 63 2.750 -31.962 33.122 1.00 38.16 ATOM 986 HG12 ILE 63 1.124 -32.331 32.566 1.00 75.51 ATOM 987 CG2 ILE 63 2.890 -33.817 35.121 1.00 45.23 ATOM 988 HG21 ILE 63 2.697 -33.920 36.178 1.00 20.24 ATOM 989 HG22 ILE 63 3.726 -33.142 34.984 1.00 40.32 ATOM 990 HG23 ILE 63 3.143 -34.785 34.710 1.00 51.51 ATOM 991 CD1 ILE 63 2.564 -33.808 32.118 1.00 23.10 ATOM 992 HD11 ILE 63 3.043 -33.328 31.284 1.00 60.13 ATOM 993 HD12 ILE 63 1.762 -34.435 31.762 1.00 23.23 ATOM 994 HD13 ILE 63 3.289 -34.414 32.631 1.00 43.45 ATOM 995 C ILE 63 0.215 -34.812 35.751 1.00 62.34 ATOM 996 O ILE 63 -0.016 -34.006 36.651 1.00 45.44 ATOM 997 N GLU 64 0.186 -36.129 35.933 1.00 43.14 ATOM 998 HN GLU 64 0.385 -36.727 35.173 1.00 38.16 ATOM 999 CA GLU 64 -0.126 -36.713 37.232 1.00 74.15 ATOM 1000 HA GLU 64 -1.046 -36.270 37.591 1.00 13.22 ATOM 1001 CB GLU 64 -0.329 -38.224 37.101 1.00 62.14 ATOM 1002 HB1 GLU 64 0.534 -38.648 36.607 1.00 38.16 ATOM 1003 HB2 GLU 64 -1.202 -38.396 36.486 1.00 10.21 ATOM 1004 CG GLU 64 -0.511 -38.932 38.433 1.00 50.51 ATOM 1005 HG1 GLU 64 -1.053 -38.286 39.113 1.00 38.16 ATOM 1006 HG2 GLU 64 0.463 -39.146 38.846 1.00 2.45 ATOM 1007 CD GLU 64 -1.278 -40.233 38.302 1.00 11.02 ATOM 1008 OE1 GLU 64 -0.789 -41.264 38.809 1.00 61.13 ATOM 1009 OE2 GLU 64 -2.368 -40.220 37.693 1.00 15.43 ATOM 1010 C GLU 64 0.982 -36.423 38.240 1.00 52.23 ATOM 1011 O GLU 64 0.739 -36.358 39.445 1.00 4.10 ATOM 1012 N LYS 65 2.200 -36.250 37.738 1.00 53.55 ATOM 1013 HN LYS 65 2.348 -36.341 36.769 1.00 38.16 ATOM 1014 CA LYS 65 3.347 -35.966 38.592 1.00 52.43 ATOM 1015 HA LYS 65 3.091 -35.129 39.232 1.00 12.31 ATOM 1016 CB LYS 65 3.674 -37.181 39.461 1.00 25.44 ATOM 1017 HB1 LYS 65 4.119 -37.953 38.846 1.00 38.16 ATOM 1018 HB2 LYS 65 2.758 -37.567 39.885 1.00 71.25 ATOM 1019 CG LYS 65 4.629 -36.874 40.602 1.00 43.21 ATOM 1020 HG1 LYS 65 4.292 -35.988 41.124 1.00 38.16 ATOM 1021 HG2 LYS 65 5.609 -36.699 40.187 1.00 72.34 ATOM 1022 CD LYS 65 4.708 -38.026 41.589 1.00 22.03 ATOM 1023 HD1 LYS 65 4.620 -38.967 41.058 1.00 38.16 ATOM 1024 HD2 LYS 65 3.896 -37.938 42.295 1.00 34.54 ATOM 1025 CE LYS 65 6.028 -38.023 42.345 1.00 10.23 ATOM 1026 HE1 LYS 65 6.820 -37.643 41.712 1.00 38.16 ATOM 1027 HE2 LYS 65 6.260 -39.040 42.624 1.00 33.15 ATOM 1028 NZ LYS 65 5.956 -37.198 43.583 1.00 21.11 ATOM 1029 HZ1 LYS 65 5.725 -36.210 43.347 1.00 41.51 ATOM 1030 HZ2 LYS 65 6.872 -37.216 44.075 1.00 23.40 ATOM 1031 HZ3 LYS 65 5.226 -37.571 44.225 1.00 30.42 ATOM 1032 C LYS 65 4.564 -35.581 37.757 1.00 25.04 ATOM 1033 O LYS 65 4.607 -35.828 36.552 1.00 31.21 ATOM 1034 N VAL 66 5.554 -34.976 38.407 1.00 61.12 ATOM 1035 HN VAL 66 5.442 -34.739 39.355 1.00 38.16 ATOM 1036 CA VAL 66 6.774 -34.560 37.725 1.00 11.01 ATOM 1037 HA VAL 66 6.983 -35.275 36.934 1.00 0.33 ATOM 1038 CB VAL 66 6.617 -33.163 37.097 1.00 51.34 ATOM 1039 HB VAL 66 5.655 -33.115 36.607 1.00 20.33 ATOM 1040 CG1 VAL 66 6.657 -32.086 38.171 1.00 73.34 ATOM 1041 HG11 VAL 66 7.678 -31.830 38.405 1.00 33.43 ATOM 1042 HG12 VAL 66 6.158 -32.430 39.068 1.00 62.12 ATOM 1043 HG13 VAL 66 6.150 -31.206 37.803 1.00 1.42 ATOM 1044 CG2 VAL 66 7.696 -32.925 36.051 1.00 2.33 ATOM 1045 HG21 VAL 66 7.422 -32.079 35.458 1.00 11.42 ATOM 1046 HG22 VAL 66 7.808 -33.793 35.423 1.00 30.20 ATOM 1047 HG23 VAL 66 8.640 -32.717 36.534 1.00 45.23 ATOM 1048 C VAL 66 7.960 -34.544 38.682 1.00 23.24 ATOM 1049 O VAL 66 7.788 -34.493 39.901 1.00 71.45 ATOM 1050 N TYR 67 9.165 -34.587 38.124 1.00 74.43 ATOM 1051 HN TYR 67 9.252 -34.670 37.149 1.00 38.16 ATOM 1052 CA TYR 67 10.381 -34.580 38.928 1.00 71.02 ATOM 1053 HA TYR 67 10.129 -34.708 39.966 1.00 42.13 ATOM 1054 CB TYR 67 11.289 -35.744 38.527 1.00 2.24 ATOM 1055 HB1 TYR 67 12.182 -35.724 39.139 1.00 38.16 ATOM 1056 HB2 TYR 67 11.572 -35.631 37.490 1.00 73.03 ATOM 1057 CG TYR 67 10.647 -37.101 38.702 1.00 34.32 ATOM 1058 CD1 TYR 67 10.928 -38.143 37.827 1.00 21.12 ATOM 1059 HD1 TYR 67 11.611 -37.975 37.017 1.00 70.14 ATOM 1060 CD2 TYR 67 9.759 -37.342 39.743 1.00 35.24 ATOM 1061 HD2 TYR 67 9.523 -36.559 40.444 1.00 45.05 ATOM 1062 CE1 TYR 67 10.343 -39.385 37.983 1.00 53.41 ATOM 1063 HE1 TYR 67 10.576 -40.184 37.304 1.00 52.21 ATOM 1064 CE2 TYR 67 9.169 -38.581 39.908 1.00 45.03 ATOM 1065 HE2 TYR 67 8.481 -38.747 40.724 1.00 24.11 ATOM 1066 CZ TYR 67 9.464 -39.599 39.025 1.00 43.34 ATOM 1067 OH TYR 67 8.880 -40.834 39.184 1.00 61.41 ATOM 1068 HH TYR 67 9.528 -41.462 39.518 1.00 54.11 ATOM 1069 C TYR 67 11.129 -33.260 38.772 1.00 50.50 ATOM 1070 O TYR 67 12.063 -33.135 37.979 1.00 33.02 ATOM 1071 N PRO 68 10.710 -32.248 39.547 1.00 21.44 ATOM 1072 CA PRO 68 11.326 -30.919 39.516 1.00 43.32 ATOM 1073 HA PRO 68 11.359 -30.524 38.517 1.00 43.44 ATOM 1074 CB PRO 68 10.385 -30.071 40.376 1.00 65.22 ATOM 1075 HB1 PRO 68 9.657 -29.590 39.740 1.00 38.16 ATOM 1076 HB2 PRO 68 10.937 -29.317 40.925 1.00 44.41 ATOM 1077 CG PRO 68 9.730 -31.045 41.293 1.00 23.22 ATOM 1078 HG1 PRO 68 8.754 -30.682 41.578 1.00 38.16 ATOM 1079 HG2 PRO 68 10.345 -31.197 42.168 1.00 30.03 ATOM 1080 CD PRO 68 9.603 -32.326 40.515 1.00 11.42 ATOM 1081 HD1 PRO 68 8.659 -32.349 40.024 1.00 38.16 ATOM 1082 HD2 PRO 68 9.713 -33.169 41.178 1.00 64.45 ATOM 1083 C PRO 68 12.733 -30.917 40.105 1.00 33.51 ATOM 1084 O PRO 68 13.527 -30.017 39.836 1.00 70.24 ATOM 1085 N GLU 69 13.033 -31.932 40.910 1.00 62.00 ATOM 1086 HN GLU 69 12.357 -32.610 41.129 1.00 38.16 ATOM 1087 CA GLU 69 14.345 -32.046 41.537 1.00 33.21 ATOM 1088 HA GLU 69 15.034 -31.359 41.063 1.00 62.15 ATOM 1089 CB GLU 69 14.260 -31.673 43.019 1.00 44.34 ATOM 1090 HB1 GLU 69 15.256 -31.726 43.441 1.00 38.16 ATOM 1091 HB2 GLU 69 13.623 -32.385 43.527 1.00 22.42 ATOM 1092 CG GLU 69 13.702 -30.281 43.265 1.00 60.23 ATOM 1093 HG1 GLU 69 12.635 -30.300 43.096 1.00 38.16 ATOM 1094 HG2 GLU 69 14.163 -29.586 42.576 1.00 42.00 ATOM 1095 CD GLU 69 13.959 -29.791 44.676 1.00 12.14 ATOM 1096 OE1 GLU 69 13.465 -28.698 45.024 1.00 5.15 ATOM 1097 OE2 GLU 69 14.653 -30.501 45.433 1.00 25.13 ATOM 1098 C GLU 69 14.898 -33.461 41.389 1.00 55.35 ATOM 1099 O GLU 69 14.972 -34.229 42.348 1.00 44.03 ATOM 1100 N PRO 70 15.294 -33.814 40.157 1.00 71.21 ATOM 1101 CA PRO 70 15.847 -35.137 39.852 1.00 33.35 ATOM 1102 HA PRO 70 15.181 -35.925 40.180 1.00 43.20 ATOM 1103 CB PRO 70 15.930 -35.144 38.324 1.00 4.21 ATOM 1104 HB1 PRO 70 15.033 -35.588 37.920 1.00 38.16 ATOM 1105 HB2 PRO 70 16.787 -35.711 38.003 1.00 34.31 ATOM 1106 CG PRO 70 16.035 -33.707 37.944 1.00 13.04 ATOM 1107 HG1 PRO 70 15.622 -33.557 36.958 1.00 38.16 ATOM 1108 HG2 PRO 70 17.069 -33.395 37.971 1.00 24.34 ATOM 1109 CD PRO 70 15.233 -32.949 38.967 1.00 64.34 ATOM 1110 HD1 PRO 70 14.223 -32.819 38.634 1.00 38.16 ATOM 1111 HD2 PRO 70 15.694 -31.992 39.157 1.00 11.15 ATOM 1112 C PRO 70 17.229 -35.342 40.462 1.00 21.45 ATOM 1113 O PRO 70 18.039 -34.417 40.512 1.00 5.11 ATOM 1114 N ARG 71 17.492 -36.560 40.925 1.00 31.23 ATOM 1115 HN ARG 71 16.795 -37.253 40.889 1.00 38.16 ATOM 1116 CA ARG 71 18.777 -36.886 41.533 1.00 54.23 ATOM 1117 HA ARG 71 19.390 -35.992 41.566 1.00 31.33 ATOM 1118 CB ARG 71 18.575 -37.400 42.959 1.00 14.23 ATOM 1119 HB1 ARG 71 18.399 -38.469 42.939 1.00 38.16 ATOM 1120 HB2 ARG 71 17.700 -36.922 43.385 1.00 72.34 ATOM 1121 CG ARG 71 19.759 -37.136 43.875 1.00 32.41 ATOM 1122 HG1 ARG 71 20.674 -37.394 43.362 1.00 38.16 ATOM 1123 HG2 ARG 71 19.657 -37.753 44.756 1.00 1.34 ATOM 1124 CD ARG 71 19.816 -35.679 44.306 1.00 63.20 ATOM 1125 HD1 ARG 71 18.841 -35.387 44.677 1.00 38.16 ATOM 1126 HD2 ARG 71 20.063 -35.065 43.452 1.00 1.53 ATOM 1127 NE ARG 71 20.794 -35.461 45.368 1.00 2.25 ATOM 1128 HE ARG 71 20.448 -35.327 46.278 1.00 5.44 ATOM 1129 CZ ARG 71 22.107 -35.436 45.166 1.00 53.05 ATOM 1130 NH1 ARG 71 22.596 -35.615 43.946 1.00 11.52 ATOM 1131 HH11 ARG 71 22.006 -35.766 43.160 1.00 14.31 ATOM 1132 HH12 ARG 71 23.589 -35.598 43.807 1.00 74.21 ATOM 1133 NH2 ARG 71 22.933 -35.232 46.184 1.00 50.45 ATOM 1134 HH21 ARG 71 22.570 -35.096 47.108 1.00 31.41 ATOM 1135 HH22 ARG 71 23.924 -35.213 46.033 1.00 64.21 ATOM 1136 C ARG 71 19.520 -37.930 40.705 1.00 44.10 ATOM 1137 O ARG 71 20.743 -38.048 40.789 1.00 13.33 ATOM 1138 N SER 72 18.774 -38.686 39.906 1.00 51.51 ATOM 1139 HN SER 72 17.803 -38.583 39.882 1.00 38.16 ATOM 1140 CA SER 72 19.362 -39.723 39.066 1.00 14.32 ATOM 1141 HA SER 72 20.442 -39.671 39.131 1.00 65.50 ATOM 1142 CB SER 72 18.916 -41.107 39.541 1.00 15.13 ATOM 1143 HB1 SER 72 19.319 -41.871 38.894 1.00 38.16 ATOM 1144 HB2 SER 72 17.838 -41.161 39.528 1.00 54.14 ATOM 1145 OG SER 72 19.366 -41.363 40.860 1.00 23.11 ATOM 1146 HG SER 72 18.784 -40.929 41.490 1.00 11.21 ATOM 1147 C SER 72 18.972 -39.524 37.605 1.00 75.14 ATOM 1148 O SER 72 18.293 -38.558 37.259 1.00 51.24 ATOM 1149 N GLU 73 19.406 -40.447 36.752 1.00 43.30 ATOM 1150 HN GLU 73 19.963 -41.192 37.077 1.00 38.16 ATOM 1151 CA GLU 73 19.104 -40.373 35.327 1.00 15.35 ATOM 1152 HA GLU 73 19.153 -39.331 35.026 1.00 70.35 ATOM 1153 CB GLU 73 20.129 -41.174 34.523 1.00 4.30 ATOM 1154 HB1 GLU 73 19.823 -42.212 34.467 1.00 38.16 ATOM 1155 HB2 GLU 73 21.083 -41.124 35.033 1.00 70.15 ATOM 1156 CG GLU 73 20.331 -40.657 33.108 1.00 22.24 ATOM 1157 HG1 GLU 73 20.628 -39.625 33.176 1.00 38.16 ATOM 1158 HG2 GLU 73 19.398 -40.733 32.568 1.00 0.35 ATOM 1159 CD GLU 73 21.402 -41.422 32.355 1.00 23.03 ATOM 1160 OE1 GLU 73 22.572 -41.387 32.791 1.00 44.03 ATOM 1161 OE2 GLU 73 21.071 -42.055 31.331 1.00 0.02 ATOM 1162 C GLU 73 17.698 -40.894 35.042 1.00 30.02 ATOM 1163 O GLU 73 16.953 -40.305 34.259 1.00 63.55 ATOM 1164 N SER 74 17.343 -42.003 35.684 1.00 52.41 ATOM 1165 HN SER 74 17.987 -42.441 36.290 1.00 38.16 ATOM 1166 CA SER 74 16.029 -42.607 35.497 1.00 51.45 ATOM 1167 HA SER 74 15.972 -42.973 34.482 1.00 64.24 ATOM 1168 CB SER 74 15.842 -43.781 36.459 1.00 64.44 ATOM 1169 HB1 SER 74 15.534 -43.423 37.433 1.00 38.16 ATOM 1170 HB2 SER 74 16.778 -44.314 36.559 1.00 10.21 ATOM 1171 OG SER 74 14.865 -44.686 35.975 1.00 34.13 ATOM 1172 HG SER 74 15.254 -45.256 35.307 1.00 32.44 ATOM 1173 C SER 74 14.923 -41.578 35.711 1.00 34.22 ATOM 1174 O SER 74 13.878 -41.631 35.063 1.00 42.43 ATOM 1175 N GLU 75 15.161 -40.644 36.627 1.00 61.14 ATOM 1176 HN GLU 75 16.004 -40.658 37.137 1.00 38.16 ATOM 1177 CA GLU 75 14.185 -39.604 36.928 1.00 53.22 ATOM 1178 HA GLU 75 13.193 -40.043 36.895 1.00 41.24 ATOM 1179 CB GLU 75 14.429 -39.033 38.326 1.00 22.33 ATOM 1180 HB1 GLU 75 13.970 -38.055 38.394 1.00 38.16 ATOM 1181 HB2 GLU 75 15.497 -38.918 38.468 1.00 61.52 ATOM 1182 CG GLU 75 13.900 -39.916 39.445 1.00 44.44 ATOM 1183 HG1 GLU 75 14.708 -40.116 40.134 1.00 38.16 ATOM 1184 HG2 GLU 75 13.541 -40.853 39.039 1.00 23.02 ATOM 1185 CD GLU 75 12.769 -39.264 40.216 1.00 73.52 ATOM 1186 OE1 GLU 75 11.842 -39.989 40.636 1.00 45.20 ATOM 1187 OE2 GLU 75 12.810 -38.030 40.399 1.00 1.23 ATOM 1188 C GLU 75 14.245 -38.485 35.892 1.00 3.52 ATOM 1189 O GLU 75 13.218 -38.055 35.366 1.00 71.21 ATOM 1190 N CYS 76 15.455 -38.017 35.606 1.00 50.31 ATOM 1191 HN CYS 76 16.241 -38.393 36.070 1.00 38.16 ATOM 1192 CA CYS 76 15.651 -36.946 34.634 1.00 34.25 ATOM 1193 HA CYS 76 15.197 -36.050 35.035 1.00 31.43 ATOM 1194 CB CYS 76 17.143 -36.710 34.399 1.00 40.42 ATOM 1195 HB1 CYS 76 17.314 -36.421 33.368 1.00 38.16 ATOM 1196 HB2 CYS 76 17.690 -37.620 34.599 1.00 43.14 ATOM 1197 SG CYS 76 17.857 -35.411 35.435 1.00 63.31 ATOM 1198 HG CYS 76 17.339 -34.253 35.053 1.00 70.33 ATOM 1199 C CYS 76 14.961 -37.277 33.315 1.00 40.11 ATOM 1200 O CYS 76 14.338 -36.414 32.694 1.00 33.44 ATOM 1201 N LEU 77 15.078 -38.530 32.890 1.00 21.11 ATOM 1202 HN LEU 77 15.593 -39.180 33.425 1.00 38.16 ATOM 1203 CA LEU 77 14.467 -38.975 31.642 1.00 23.24 ATOM 1204 HA LEU 77 14.687 -38.244 30.873 1.00 63.04 ATOM 1205 CB LEU 77 15.052 -40.323 31.218 1.00 63.33 ATOM 1206 HB1 LEU 77 14.449 -40.728 30.411 1.00 38.16 ATOM 1207 HB2 LEU 77 14.963 -40.991 32.066 1.00 12.11 ATOM 1208 CG LEU 77 16.513 -40.308 30.764 1.00 34.45 ATOM 1209 HG LEU 77 17.095 -39.711 31.453 1.00 20.45 ATOM 1210 CD1 LEU 77 17.088 -41.716 30.770 1.00 33.22 ATOM 1211 HD11 LEU 77 18.126 -41.685 30.469 1.00 20.31 ATOM 1212 HD12 LEU 77 16.534 -42.340 30.082 1.00 2.04 ATOM 1213 HD13 LEU 77 17.019 -42.131 31.766 1.00 62.40 ATOM 1214 CD2 LEU 77 16.635 -39.686 29.381 1.00 5.34 ATOM 1215 HD21 LEU 77 16.358 -38.644 29.432 1.00 25.25 ATOM 1216 HD22 LEU 77 15.980 -40.200 28.689 1.00 72.24 ATOM 1217 HD23 LEU 77 17.653 -39.773 29.037 1.00 13.12 ATOM 1218 C LEU 77 12.953 -39.088 31.787 1.00 20.23 ATOM 1219 O LEU 77 12.210 -38.867 30.831 1.00 13.04 ATOM 1220 N SER 78 12.503 -39.432 32.990 1.00 52.22 ATOM 1221 HN SER 78 13.141 -39.630 33.709 1.00 38.16 ATOM 1222 CA SER 78 11.077 -39.576 33.260 1.00 40.51 ATOM 1223 HA SER 78 10.691 -40.353 32.617 1.00 13.33 ATOM 1224 CB SER 78 10.851 -39.985 34.716 1.00 21.15 ATOM 1225 HB1 SER 78 10.775 -39.107 35.332 1.00 38.16 ATOM 1226 HB2 SER 78 11.679 -40.587 35.057 1.00 53.53 ATOM 1227 OG SER 78 9.664 -40.747 34.854 1.00 63.33 ATOM 1228 HG SER 78 8.904 -40.160 34.875 1.00 64.23 ATOM 1229 C SER 78 10.334 -38.276 32.964 1.00 64.00 ATOM 1230 O SER 78 9.230 -38.289 32.423 1.00 73.20 ATOM 1231 N ASN 79 10.951 -37.155 33.324 1.00 53.34 ATOM 1232 HN ASN 79 11.828 -37.204 33.773 1.00 38.16 ATOM 1233 CA ASN 79 10.349 -35.846 33.098 1.00 52.42 ATOM 1234 HA ASN 79 9.471 -35.771 33.724 1.00 53.24 ATOM 1235 CB ASN 79 11.338 -34.737 33.463 1.00 15.43 ATOM 1236 HB1 ASN 79 11.035 -33.836 32.979 1.00 38.16 ATOM 1237 HB2 ASN 79 12.322 -35.015 33.129 1.00 14.43 ATOM 1238 CG ASN 79 11.374 -34.463 34.954 1.00 12.44 ATOM 1239 OD1 ASN 79 10.360 -34.578 35.643 1.00 72.42 ATOM 1240 ND2 ASN 79 12.546 -34.097 35.460 1.00 12.42 ATOM 1241 HD21 ASN 79 13.323 -34.020 34.861 1.00 51.23 ATOM 1242 HD22 ASN 79 12.591 -33.919 36.421 1.00 53.15 ATOM 1243 C ASN 79 9.910 -35.692 31.645 1.00 75.12 ATOM 1244 O ASN 79 8.898 -35.052 31.356 1.00 33.41 ATOM 1245 N ILE 80 10.676 -36.283 30.735 1.00 25.41 ATOM 1246 HN ILE 80 11.488 -36.766 31.014 1.00 38.16 ATOM 1247 CA ILE 80 10.365 -36.214 29.313 1.00 45.12 ATOM 1248 HA ILE 80 9.943 -35.236 29.098 1.00 71.05 ATOM 1249 CB ILE 80 11.630 -36.388 28.451 1.00 71.31 ATOM 1250 HB ILE 80 12.047 -37.360 28.668 1.00 23.53 ATOM 1251 CG1 ILE 80 12.659 -35.309 28.792 1.00 1.21 ATOM 1252 HG11 ILE 80 12.679 -35.133 29.858 1.00 38.16 ATOM 1253 HG12 ILE 80 12.415 -34.397 28.295 1.00 20.41 ATOM 1254 CG2 ILE 80 11.274 -36.340 26.973 1.00 71.15 ATOM 1255 HG21 ILE 80 10.782 -35.407 26.744 1.00 21.32 ATOM 1256 HG22 ILE 80 10.622 -37.161 26.719 1.00 10.20 ATOM 1257 HG23 ILE 80 12.168 -36.423 26.385 1.00 63.42 ATOM 1258 CD1 ILE 80 14.070 -35.667 28.379 1.00 14.34 ATOM 1259 HD11 ILE 80 14.678 -34.775 28.372 1.00 43.31 ATOM 1260 HD12 ILE 80 14.073 -36.111 27.395 1.00 40.42 ATOM 1261 HD13 ILE 80 14.481 -36.370 29.088 1.00 1.31 ATOM 1262 C ILE 80 9.346 -37.278 28.920 1.00 13.54 ATOM 1263 O ILE 80 8.392 -36.999 28.193 1.00 63.52 ATOM 1264 N ARG 81 9.552 -38.496 29.409 1.00 62.23 ATOM 1265 HN ARG 81 10.341 -38.662 29.978 1.00 38.16 ATOM 1266 CA ARG 81 8.650 -39.602 29.110 1.00 64.03 ATOM 1267 HA ARG 81 8.667 -39.772 28.047 1.00 33.44 ATOM 1268 CB ARG 81 9.107 -40.870 29.833 1.00 61.31 ATOM 1269 HB1 ARG 81 8.240 -41.454 30.124 1.00 38.16 ATOM 1270 HB2 ARG 81 9.649 -40.593 30.726 1.00 52.34 ATOM 1271 CG ARG 81 10.001 -41.765 28.989 1.00 55.41 ATOM 1272 HG1 ARG 81 10.862 -41.198 28.666 1.00 38.16 ATOM 1273 HG2 ARG 81 9.446 -42.102 28.126 1.00 72.34 ATOM 1274 CD ARG 81 10.475 -42.978 29.773 1.00 11.24 ATOM 1275 HD1 ARG 81 9.606 -43.470 30.194 1.00 38.16 ATOM 1276 HD2 ARG 81 11.123 -42.646 30.571 1.00 23.32 ATOM 1277 NE ARG 81 11.202 -43.924 28.931 1.00 5.35 ATOM 1278 HE ARG 81 11.533 -43.605 28.059 1.00 3.52 ATOM 1279 CZ ARG 81 11.444 -45.183 29.280 1.00 43.51 ATOM 1280 NH1 ARG 81 11.018 -45.644 30.448 1.00 64.24 ATOM 1281 HH11 ARG 81 10.516 -45.067 31.087 1.00 3.14 ATOM 1282 HH12 ARG 81 11.203 -46.597 30.699 1.00 12.11 ATOM 1283 NH2 ARG 81 12.113 -45.983 28.459 1.00 2.44 ATOM 1284 HH21 ARG 81 12.437 -45.640 27.575 1.00 33.13 ATOM 1285 HH22 ARG 81 12.297 -46.933 28.720 1.00 71.54 ATOM 1286 C ARG 81 7.219 -39.261 29.514 1.00 41.35 ATOM 1287 O ARG 81 6.266 -39.635 28.831 1.00 30.54 ATOM 1288 N GLU 82 7.078 -38.548 30.627 1.00 74.22 ATOM 1289 HN GLU 82 7.876 -38.281 31.141 1.00 38.16 ATOM 1290 CA GLU 82 5.762 -38.158 31.121 1.00 24.24 ATOM 1291 HA GLU 82 5.134 -39.040 31.151 1.00 61.22 ATOM 1292 CB GLU 82 5.874 -37.590 32.538 1.00 54.44 ATOM 1293 HB1 GLU 82 6.620 -36.807 32.534 1.00 38.16 ATOM 1294 HB2 GLU 82 6.212 -38.382 33.189 1.00 4.12 ATOM 1295 CG GLU 82 4.574 -37.003 33.062 1.00 74.12 ATOM 1296 HG1 GLU 82 3.764 -37.195 32.374 1.00 38.16 ATOM 1297 HG2 GLU 82 4.691 -35.948 33.178 1.00 62.21 ATOM 1298 CD GLU 82 4.173 -37.581 34.405 1.00 33.02 ATOM 1299 OE1 GLU 82 5.073 -37.980 35.173 1.00 42.13 ATOM 1300 OE2 GLU 82 2.958 -37.634 34.689 1.00 55.13 ATOM 1301 C GLU 82 5.117 -37.129 30.198 1.00 70.23 ATOM 1302 O GLU 82 3.914 -37.176 29.942 1.00 35.41 ATOM 1303 N PHE 83 5.926 -36.199 29.700 1.00 31.54 ATOM 1304 HN PHE 83 6.882 -36.203 29.945 1.00 38.16 ATOM 1305 CA PHE 83 5.435 -35.157 28.806 1.00 34.44 ATOM 1306 HA PHE 83 4.588 -34.676 29.278 1.00 30.31 ATOM 1307 CB PHE 83 6.522 -34.108 28.566 1.00 14.32 ATOM 1308 HB1 PHE 83 7.439 -34.613 28.290 1.00 38.16 ATOM 1309 HB2 PHE 83 6.689 -33.563 29.486 1.00 23.03 ATOM 1310 CG PHE 83 6.174 -33.121 27.488 1.00 3.04 ATOM 1311 CD1 PHE 83 6.655 -33.286 26.199 1.00 14.22 ATOM 1312 HD1 PHE 83 7.286 -34.134 25.967 1.00 23.52 ATOM 1313 CD2 PHE 83 5.367 -32.029 27.764 1.00 23.11 ATOM 1314 HD2 PHE 83 4.984 -31.888 28.765 1.00 51.24 ATOM 1315 CE1 PHE 83 6.337 -32.379 25.206 1.00 42.22 ATOM 1316 HE1 PHE 83 6.718 -32.518 24.205 1.00 44.42 ATOM 1317 CE2 PHE 83 5.046 -31.119 26.775 1.00 41.14 ATOM 1318 HE2 PHE 83 4.418 -30.271 27.002 1.00 5.43 ATOM 1319 CZ PHE 83 5.531 -31.295 25.494 1.00 50.25 ATOM 1320 HZ PHE 83 5.289 -30.589 24.721 1.00 11.32 ATOM 1321 C PHE 83 4.982 -35.751 27.476 1.00 64.35 ATOM 1322 O PHE 83 4.120 -35.194 26.795 1.00 33.51 ATOM 1323 N LEU 84 5.571 -36.885 27.110 1.00 2.30 ATOM 1324 HN LEU 84 6.262 -37.288 27.684 1.00 38.16 ATOM 1325 CA LEU 84 5.230 -37.555 25.860 1.00 23.42 ATOM 1326 HA LEU 84 5.077 -36.803 25.095 1.00 74.10 ATOM 1327 CB LEU 84 6.376 -38.469 25.420 1.00 53.32 ATOM 1328 HB1 LEU 84 6.077 -38.988 24.516 1.00 38.16 ATOM 1329 HB2 LEU 84 6.513 -39.210 26.201 1.00 20.21 ATOM 1330 CG LEU 84 7.720 -37.785 25.167 1.00 72.25 ATOM 1331 HG LEU 84 7.899 -37.052 25.934 1.00 33.41 ATOM 1332 CD1 LEU 84 8.852 -38.799 25.215 1.00 71.43 ATOM 1333 HD11 LEU 84 9.034 -39.074 26.235 1.00 12.52 ATOM 1334 HD12 LEU 84 9.757 -38.372 24.801 1.00 43.20 ATOM 1335 HD13 LEU 84 8.582 -39.682 24.654 1.00 64.04 ATOM 1336 CD2 LEU 84 7.706 -37.061 23.828 1.00 62.51 ATOM 1337 HD21 LEU 84 6.890 -37.403 23.218 1.00 60.24 ATOM 1338 HD22 LEU 84 8.632 -37.235 23.312 1.00 10.53 ATOM 1339 HD23 LEU 84 7.591 -36.003 24.006 1.00 44.21 ATOM 1340 C LEU 84 3.947 -38.366 26.010 1.00 70.23 ATOM 1341 O LEU 84 3.238 -38.610 25.033 1.00 13.24 ATOM 1342 N ARG 85 3.654 -38.779 27.238 1.00 30.44 ATOM 1343 HN ARG 85 4.259 -38.566 27.985 1.00 38.16 ATOM 1344 CA ARG 85 2.455 -39.562 27.516 1.00 44.31 ATOM 1345 HA ARG 85 2.381 -40.339 26.763 1.00 1.44 ATOM 1346 CB ARG 85 2.552 -40.210 28.898 1.00 4.22 ATOM 1347 HB1 ARG 85 2.186 -39.524 29.653 1.00 38.16 ATOM 1348 HB2 ARG 85 3.596 -40.419 29.103 1.00 62.31 ATOM 1349 CG ARG 85 1.773 -41.509 29.017 1.00 21.35 ATOM 1350 HG1 ARG 85 1.856 -42.066 28.092 1.00 38.16 ATOM 1351 HG2 ARG 85 0.735 -41.279 29.206 1.00 11.32 ATOM 1352 CD ARG 85 2.300 -42.373 30.153 1.00 44.13 ATOM 1353 HD1 ARG 85 3.382 -42.404 30.111 1.00 38.16 ATOM 1354 HD2 ARG 85 1.912 -43.374 30.027 1.00 64.32 ATOM 1355 NE ARG 85 1.886 -41.871 31.460 1.00 20.11 ATOM 1356 HE ARG 85 1.325 -41.060 31.487 1.00 23.44 ATOM 1357 CZ ARG 85 2.223 -42.447 32.609 1.00 74.12 ATOM 1358 NH1 ARG 85 2.975 -43.539 32.611 1.00 2.43 ATOM 1359 HH11 ARG 85 3.300 -43.947 31.759 1.00 71.22 ATOM 1360 HH12 ARG 85 3.225 -43.967 33.482 1.00 43.32 ATOM 1361 NH2 ARG 85 1.807 -41.931 33.758 1.00 13.22 ATOM 1362 HH21 ARG 85 1.238 -41.106 33.763 1.00 4.12 ATOM 1363 HH22 ARG 85 2.060 -42.364 34.626 1.00 43.01 ATOM 1364 C ARG 85 1.206 -38.689 27.438 1.00 3.30 ATOM 1365 O ARG 85 0.195 -39.085 26.861 1.00 54.10 ATOM 1366 N GLY 86 1.285 -37.498 28.024 1.00 2.22 ATOM 1367 HN GLY 86 2.111 -37.225 28.483 1.00 38.16 ATOM 1368 CA GLY 86 0.155 -36.588 28.011 1.00 53.05 ATOM 1369 HA1 GLY 86 0.365 -35.766 28.664 1.00 38.16 ATOM 1370 HA2 GLY 86 -0.721 -37.105 28.384 1.00 3.13 ATOM 1371 C GLY 86 -0.147 -36.058 26.623 1.00 65.35 ATOM 1372 O GLY 86 -1.264 -36.203 26.125 1.00 43.14 ATOM 1373 N CYS 87 0.850 -35.442 25.997 1.00 23.31 ATOM 1374 HN CYS 87 1.723 -35.356 26.450 1.00 38.16 ATOM 1375 CA CYS 87 0.686 -34.887 24.659 1.00 51.45 ATOM 1376 HA CYS 87 -0.045 -34.091 24.716 1.00 74.15 ATOM 1377 CB CYS 87 2.014 -34.325 24.150 1.00 4.23 ATOM 1378 HB1 CYS 87 2.004 -34.284 23.067 1.00 38.16 ATOM 1379 HB2 CYS 87 2.821 -34.969 24.468 1.00 41.35 ATOM 1380 SG CYS 87 2.384 -32.656 24.740 1.00 23.13 ATOM 1381 HG CYS 87 1.302 -31.912 24.565 1.00 63.04 ATOM 1382 C CYS 87 0.164 -35.944 23.691 1.00 14.13 ATOM 1383 O CYS 87 -0.638 -35.648 22.806 1.00 32.43 ATOM 1384 N GLY 88 0.626 -37.178 23.866 1.00 73.41 ATOM 1385 HN GLY 88 1.279 -37.370 24.575 1.00 38.16 ATOM 1386 CA GLY 88 0.196 -38.261 23.000 1.00 12.21 ATOM 1387 HA1 GLY 88 0.976 -39.007 22.977 1.00 38.16 ATOM 1388 HA2 GLY 88 0.049 -37.890 21.996 1.00 2.41 ATOM 1389 C GLY 88 -1.081 -38.919 23.485 1.00 43.10 ATOM 1390 O GLY 88 -1.647 -39.770 22.800 1.00 23.52 ATOM 1391 N ALA 89 -1.534 -38.525 24.670 1.00 14.14 ATOM 1392 HN ALA 89 -1.051 -37.860 25.178 1.00 38.16 ATOM 1393 CA ALA 89 -2.752 -39.082 25.246 1.00 71.10 ATOM 1394 HA ALA 89 -2.814 -40.132 24.980 1.00 33.22 ATOM 1395 CB ALA 89 -2.707 -38.994 26.764 1.00 2.52 ATOM 1396 HB1 ALA 89 -2.380 -38.016 27.068 1.00 64.41 ATOM 1397 HB2 ALA 89 -2.027 -39.737 27.145 1.00 64.53 ATOM 1398 HB3 ALA 89 -3.691 -39.184 27.174 1.00 14.12 ATOM 1399 C ALA 89 -3.989 -38.370 24.709 1.00 0.33 ATOM 1400 O ALA 89 -4.832 -38.980 24.051 1.00 2.43 ATOM 1401 N SER 90 -4.092 -37.076 24.995 1.00 4.32 ATOM 1402 HN SER 90 -3.374 -36.635 25.510 1.00 38.16 ATOM 1403 CA SER 90 -5.228 -36.281 24.545 1.00 74.21 ATOM 1404 HA SER 90 -6.118 -36.898 24.583 1.00 32.32 ATOM 1405 CB SER 90 -5.433 -35.077 25.466 1.00 44.43 ATOM 1406 HB1 SER 90 -4.561 -34.440 25.439 1.00 38.16 ATOM 1407 HB2 SER 90 -5.586 -35.428 26.476 1.00 72.14 ATOM 1408 OG SER 90 -6.567 -34.323 25.076 1.00 54.15 ATOM 1409 HG SER 90 -6.325 -33.714 24.374 1.00 54.45 ATOM 1410 C SER 90 -5.026 -35.809 23.108 1.00 11.13 ATOM 1411 O SER 90 -5.773 -36.190 22.206 1.00 14.41 ATOM 1412 N LEU 91 -4.011 -34.977 22.903 1.00 23.33 ATOM 1413 HN LEU 91 -3.433 -34.724 23.660 1.00 38.16 ATOM 1414 CA LEU 91 -3.708 -34.452 21.576 1.00 12.35 ATOM 1415 HA LEU 91 -4.599 -33.968 21.194 1.00 74.42 ATOM 1416 CB LEU 91 -2.575 -33.428 21.658 1.00 2.33 ATOM 1417 HB1 LEU 91 -1.988 -33.492 20.751 1.00 38.16 ATOM 1418 HB2 LEU 91 -1.935 -33.706 22.483 1.00 34.22 ATOM 1419 CG LEU 91 -2.999 -31.971 21.848 1.00 2.12 ATOM 1420 HG LEU 91 -3.874 -31.930 22.483 1.00 30.21 ATOM 1421 CD1 LEU 91 -1.896 -31.179 22.533 1.00 43.23 ATOM 1422 HD11 LEU 91 -1.045 -31.087 21.880 1.00 12.11 ATOM 1423 HD12 LEU 91 -1.597 -31.679 23.445 1.00 31.20 ATOM 1424 HD13 LEU 91 -2.265 -30.193 22.776 1.00 63.42 ATOM 1425 CD2 LEU 91 -3.358 -31.341 20.510 1.00 35.33 ATOM 1426 HD21 LEU 91 -3.530 -30.279 20.632 1.00 72.14 ATOM 1427 HD22 LEU 91 -4.255 -31.805 20.128 1.00 31.13 ATOM 1428 HD23 LEU 91 -2.553 -31.500 19.813 1.00 31.34 ATOM 1429 C LEU 91 -3.325 -35.576 20.620 1.00 61.13 ATOM 1430 O LEU 91 -3.662 -35.539 19.436 1.00 30.32 ATOM 1431 N ARG 92 -2.620 -36.575 21.141 1.00 74.21 ATOM 1432 HN ARG 92 -2.357 -36.556 22.088 1.00 38.16 ATOM 1433 CA ARG 92 -2.192 -37.711 20.333 1.00 14.02 ATOM 1434 HA ARG 92 -1.636 -38.376 20.949 1.00 3.41 ATOM 1435 CB ARG 92 -3.408 -38.456 19.778 1.00 24.33 ATOM 1436 HB1 ARG 92 -3.063 -39.334 19.248 1.00 38.16 ATOM 1437 HB2 ARG 92 -3.935 -37.817 19.084 1.00 10.31 ATOM 1438 CG ARG 92 -4.383 -38.913 20.850 1.00 34.43 ATOM 1439 HG1 ARG 92 -4.650 -38.079 21.470 1.00 38.16 ATOM 1440 HG2 ARG 92 -3.906 -39.670 21.454 1.00 63.21 ATOM 1441 CD ARG 92 -5.647 -39.499 20.240 1.00 71.30 ATOM 1442 HD1 ARG 92 -5.377 -40.327 19.599 1.00 38.16 ATOM 1443 HD2 ARG 92 -6.134 -38.733 19.652 1.00 71.14 ATOM 1444 NE ARG 92 -6.577 -39.977 21.260 1.00 40.41 ATOM 1445 HE ARG 92 -6.278 -39.966 22.199 1.00 64.12 ATOM 1446 CZ ARG 92 -7.798 -40.425 20.989 1.00 24.33 ATOM 1447 NH1 ARG 92 -8.233 -40.458 19.737 1.00 30.24 ATOM 1448 HH11 ARG 92 -7.660 -40.152 18.979 1.00 73.12 ATOM 1449 HH12 ARG 92 -9.156 -40.797 19.542 1.00 12.42 ATOM 1450 NH2 ARG 92 -8.585 -40.843 21.972 1.00 13.11 ATOM 1451 HH21 ARG 92 -8.261 -40.822 22.920 1.00 14.21 ATOM 1452 HH22 ARG 92 -9.507 -41.181 21.771 1.00 64.25 ATOM 1453 C ARG 92 -1.295 -37.255 19.187 1.00 63.14 ATOM 1454 O ARG 92 -1.228 -37.903 18.141 1.00 3.20 ATOM 1455 N LEU 93 -0.607 -36.137 19.389 1.00 2.14 ATOM 1456 HN LEU 93 -0.677 -35.678 20.251 1.00 38.16 ATOM 1457 CA LEU 93 0.287 -35.593 18.373 1.00 70.33 ATOM 1458 HA LEU 93 -0.238 -35.585 17.426 1.00 40.22 ATOM 1459 CB LEU 93 0.679 -34.157 18.725 1.00 72.31 ATOM 1460 HB1 LEU 93 -0.234 -33.576 18.698 1.00 38.16 ATOM 1461 HB2 LEU 93 1.328 -33.769 17.950 1.00 3.03 ATOM 1462 CG LEU 93 1.335 -33.957 20.091 1.00 2.43 ATOM 1463 HG LEU 93 1.060 -34.758 20.760 1.00 43.31 ATOM 1464 CD1 LEU 93 2.851 -33.978 19.964 1.00 75.31 ATOM 1465 HD11 LEU 93 3.167 -34.998 19.899 1.00 53.24 ATOM 1466 HD12 LEU 93 3.305 -33.528 20.839 1.00 33.55 ATOM 1467 HD13 LEU 93 3.169 -33.440 19.080 1.00 70.43 ATOM 1468 CD2 LEU 93 0.870 -32.651 20.720 1.00 33.41 ATOM 1469 HD21 LEU 93 1.254 -32.577 21.727 1.00 30.44 ATOM 1470 HD22 LEU 93 -0.197 -32.620 20.742 1.00 11.23 ATOM 1471 HD23 LEU 93 1.235 -31.820 20.137 1.00 54.45 ATOM 1472 C LEU 93 1.538 -36.454 18.231 1.00 4.14 ATOM 1473 O LEU 93 1.684 -37.470 18.910 1.00 74.21 ATOM 1474 N GLU 94 2.440 -36.038 17.347 1.00 12.03 ATOM 1475 HN GLU 94 2.274 -35.211 16.842 1.00 38.16 ATOM 1476 CA GLU 94 3.680 -36.771 17.119 1.00 54.10 ATOM 1477 HA GLU 94 3.432 -37.819 16.989 1.00 64.05 ATOM 1478 CB GLU 94 4.366 -36.271 15.846 1.00 24.32 ATOM 1479 HB1 GLU 94 5.176 -36.942 15.601 1.00 38.16 ATOM 1480 HB2 GLU 94 4.769 -35.282 16.022 1.00 34.11 ATOM 1481 CG GLU 94 3.438 -36.188 14.646 1.00 21.22 ATOM 1482 HG1 GLU 94 4.034 -36.015 13.762 1.00 38.16 ATOM 1483 HG2 GLU 94 2.758 -35.362 14.783 1.00 65.31 ATOM 1484 CD GLU 94 2.634 -37.457 14.442 1.00 73.21 ATOM 1485 OE1 GLU 94 1.399 -37.357 14.282 1.00 41.03 ATOM 1486 OE2 GLU 94 3.238 -38.550 14.442 1.00 11.13 ATOM 1487 C GLU 94 4.624 -36.627 18.309 1.00 34.33 ATOM 1488 O GLU 94 4.971 -35.516 18.712 1.00 74.25 ATOM 1489 N THR 95 5.036 -37.760 18.870 1.00 1.01 ATOM 1490 HN THR 95 4.738 -38.625 18.504 1.00 38.16 ATOM 1491 CA THR 95 5.938 -37.762 20.015 1.00 51.10 ATOM 1492 HA THR 95 5.973 -36.768 20.448 1.00 4.22 ATOM 1493 CB THR 95 5.454 -38.731 21.110 1.00 14.21 ATOM 1494 HB THR 95 6.113 -38.677 21.956 1.00 41.12 ATOM 1495 OG1 THR 95 5.457 -40.074 20.613 1.00 41.43 ATOM 1496 HG1 THR 95 5.530 -40.691 21.346 1.00 1.44 ATOM 1497 CG2 THR 95 4.054 -38.362 21.579 1.00 41.14 ATOM 1498 HG21 THR 95 3.365 -38.424 20.749 1.00 34.31 ATOM 1499 HG22 THR 95 4.056 -37.355 21.971 1.00 71.34 ATOM 1500 HG23 THR 95 3.744 -39.047 22.354 1.00 14.53 ATOM 1501 C THR 95 7.353 -38.149 19.600 1.00 53.43 ATOM 1502 O THR 95 7.630 -38.351 18.417 1.00 20.03 ATOM 1503 N PHE 96 8.245 -38.250 20.579 1.00 31.53 ATOM 1504 HN PHE 96 7.986 -38.051 21.488 1.00 38.16 ATOM 1505 CA PHE 96 9.632 -38.613 20.315 1.00 24.10 ATOM 1506 HA PHE 96 9.665 -39.265 19.451 1.00 34.35 ATOM 1507 CB PHE 96 10.461 -37.362 20.019 1.00 43.44 ATOM 1508 HB1 PHE 96 10.010 -36.839 19.186 1.00 38.16 ATOM 1509 HB2 PHE 96 11.463 -37.656 19.736 1.00 63.34 ATOM 1510 CG PHE 96 10.543 -36.408 21.177 1.00 72.54 ATOM 1511 CD1 PHE 96 9.457 -35.619 21.518 1.00 11.45 ATOM 1512 HD1 PHE 96 8.542 -35.695 20.949 1.00 44.22 ATOM 1513 CD2 PHE 96 11.705 -36.303 21.923 1.00 10.35 ATOM 1514 HD2 PHE 96 12.559 -36.903 21.661 1.00 63.35 ATOM 1515 CE1 PHE 96 9.530 -34.740 22.583 1.00 33.30 ATOM 1516 HE1 PHE 96 8.678 -34.134 22.844 1.00 43.52 ATOM 1517 CE2 PHE 96 11.783 -35.426 22.989 1.00 25.35 ATOM 1518 HE2 PHE 96 12.681 -35.357 23.565 1.00 44.55 ATOM 1519 CZ PHE 96 10.694 -34.645 23.320 1.00 11.12 ATOM 1520 HZ PHE 96 10.753 -33.959 24.152 1.00 23.11 ATOM 1521 C PHE 96 10.233 -39.366 21.499 1.00 53.12 ATOM 1522 O PHE 96 9.570 -39.577 22.515 1.00 40.14 ATOM 1523 N ASP 97 11.491 -39.769 21.359 1.00 11.32 ATOM 1524 HN ASP 97 11.976 -39.576 20.522 1.00 38.16 ATOM 1525 CA ASP 97 12.182 -40.498 22.416 1.00 0.34 ATOM 1526 HA ASP 97 11.432 -41.026 22.997 1.00 23.33 ATOM 1527 CB ASP 97 13.154 -41.513 21.813 1.00 33.55 ATOM 1528 HB1 ASP 97 14.134 -41.075 21.696 1.00 38.16 ATOM 1529 HB2 ASP 97 12.792 -41.824 20.843 1.00 73.34 ATOM 1530 CG ASP 97 13.300 -42.755 22.672 1.00 53.25 ATOM 1531 OD1 ASP 97 13.899 -43.741 22.192 1.00 11.55 ATOM 1532 OD2 ASP 97 12.816 -42.740 23.822 1.00 35.33 ATOM 1533 C ASP 97 12.934 -39.540 23.335 1.00 14.33 ATOM 1534 O ASP 97 13.565 -38.589 22.875 1.00 55.24 ATOM 1535 N ALA 98 12.860 -39.797 24.637 1.00 4.21 ATOM 1536 HN ALA 98 12.344 -40.580 24.946 1.00 38.16 ATOM 1537 CA ALA 98 13.534 -38.958 25.621 1.00 64.15 ATOM 1538 HA ALA 98 13.293 -37.926 25.411 1.00 71.22 ATOM 1539 CB ALA 98 13.035 -39.281 27.021 1.00 72.41 ATOM 1540 HB1 ALA 98 11.971 -39.102 27.072 1.00 11.40 ATOM 1541 HB2 ALA 98 13.539 -38.653 27.743 1.00 34.34 ATOM 1542 HB3 ALA 98 13.235 -40.319 27.245 1.00 24.13 ATOM 1543 C ALA 98 15.048 -39.130 25.544 1.00 74.12 ATOM 1544 O ALA 98 15.803 -38.236 25.921 1.00 1.34 ATOM 1545 N ASN 99 15.483 -40.286 25.053 1.00 20.12 ATOM 1546 HN ASN 99 14.834 -40.965 24.762 1.00 38.16 ATOM 1547 CA ASN 99 16.907 -40.576 24.928 1.00 10.55 ATOM 1548 HA ASN 99 17.365 -40.452 25.898 1.00 61.42 ATOM 1549 CB ASN 99 17.116 -42.016 24.458 1.00 25.32 ATOM 1550 HB1 ASN 99 18.172 -42.246 24.476 1.00 38.16 ATOM 1551 HB2 ASN 99 16.746 -42.123 23.447 1.00 71.11 ATOM 1552 CG ASN 99 16.393 -43.021 25.333 1.00 35.24 ATOM 1553 OD1 ASN 99 15.724 -43.927 24.835 1.00 25.41 ATOM 1554 ND2 ASN 99 16.522 -42.864 26.646 1.00 62.44 ATOM 1555 HD21 ASN 99 17.070 -42.134 27.003 1.00 0.33 ATOM 1556 HD22 ASN 99 16.051 -43.502 27.222 1.00 63.43 ATOM 1557 C ASN 99 17.575 -39.609 23.956 1.00 44.14 ATOM 1558 O ASN 99 18.571 -38.966 24.289 1.00 62.32 ATOM 1559 N ASP 100 17.020 -39.511 22.753 1.00 65.24 ATOM 1560 HN ASP 100 16.226 -40.060 22.545 1.00 38.16 ATOM 1561 CA ASP 100 17.561 -38.622 21.731 1.00 2.21 ATOM 1562 HA ASP 100 18.569 -38.943 21.507 1.00 72.45 ATOM 1563 CB ASP 100 16.722 -38.706 20.455 1.00 11.23 ATOM 1564 HB1 ASP 100 16.734 -39.723 20.090 1.00 38.16 ATOM 1565 HB2 ASP 100 17.139 -38.058 19.709 1.00 33.31 ATOM 1566 CG ASP 100 15.281 -38.293 20.682 1.00 31.11 ATOM 1567 OD1 ASP 100 14.382 -39.134 20.469 1.00 0.05 ATOM 1568 OD2 ASP 100 15.052 -37.130 21.073 1.00 51.40 ATOM 1569 C ASP 100 17.605 -37.182 22.232 1.00 12.43 ATOM 1570 O ASP 100 18.387 -36.366 21.743 1.00 42.05 ATOM 1571 N LEU 101 16.759 -36.875 23.210 1.00 64.20 ATOM 1572 HN LEU 101 16.117 -37.541 23.538 1.00 38.16 ATOM 1573 CA LEU 101 16.700 -35.533 23.777 1.00 2.55 ATOM 1574 HA LEU 101 16.956 -34.821 23.005 1.00 4.43 ATOM 1575 CB LEU 101 15.285 -35.229 24.274 1.00 64.24 ATOM 1576 HB1 LEU 101 14.920 -36.107 24.793 1.00 38.16 ATOM 1577 HB2 LEU 101 14.665 -35.065 23.419 1.00 13.23 ATOM 1578 CG LEU 101 15.146 -34.032 25.214 1.00 3.24 ATOM 1579 HG LEU 101 15.753 -34.187 26.094 1.00 52.54 ATOM 1580 CD1 LEU 101 15.622 -32.759 24.532 1.00 3.30 ATOM 1581 HD11 LEU 101 16.109 -32.968 23.593 1.00 24.45 ATOM 1582 HD12 LEU 101 16.326 -32.261 25.179 1.00 1.04 ATOM 1583 HD13 LEU 101 14.794 -32.104 24.354 1.00 74.44 ATOM 1584 CD2 LEU 101 13.705 -33.883 25.679 1.00 31.10 ATOM 1585 HD21 LEU 101 13.676 -33.270 26.565 1.00 31.10 ATOM 1586 HD22 LEU 101 13.292 -34.845 25.902 1.00 31.13 ATOM 1587 HD23 LEU 101 13.110 -33.418 24.904 1.00 11.43 ATOM 1588 C LEU 101 17.696 -35.381 24.923 1.00 44.15 ATOM 1589 O LEU 101 18.285 -34.316 25.110 1.00 44.05 ATOM 1590 N TYR 102 17.881 -36.453 25.685 1.00 63.15 ATOM 1591 HN TYR 102 17.379 -37.280 25.496 1.00 38.16 ATOM 1592 CA TYR 102 18.806 -36.439 26.812 1.00 63.44 ATOM 1593 HA TYR 102 18.648 -35.517 27.360 1.00 32.21 ATOM 1594 CB TYR 102 18.535 -37.628 27.735 1.00 23.13 ATOM 1595 HB1 TYR 102 18.945 -38.534 27.301 1.00 38.16 ATOM 1596 HB2 TYR 102 17.468 -37.737 27.826 1.00 4.14 ATOM 1597 CG TYR 102 19.095 -37.452 29.129 1.00 52.02 ATOM 1598 CD1 TYR 102 18.724 -36.369 29.916 1.00 31.12 ATOM 1599 HD1 TYR 102 18.025 -35.644 29.522 1.00 43.20 ATOM 1600 CD2 TYR 102 19.994 -38.370 29.658 1.00 10.55 ATOM 1601 HD2 TYR 102 20.295 -39.220 29.061 1.00 61.03 ATOM 1602 CE1 TYR 102 19.233 -36.204 31.190 1.00 44.05 ATOM 1603 HE1 TYR 102 18.931 -35.357 31.788 1.00 23.10 ATOM 1604 CE2 TYR 102 20.507 -38.213 30.931 1.00 24.25 ATOM 1605 HE2 TYR 102 21.216 -38.922 31.309 1.00 5.10 ATOM 1606 CZ TYR 102 20.125 -37.129 31.693 1.00 55.32 ATOM 1607 OH TYR 102 20.633 -36.969 32.961 1.00 2.53 ATOM 1608 HH TYR 102 21.553 -36.692 32.912 1.00 21.30 ATOM 1609 C TYR 102 20.253 -36.475 26.329 1.00 22.33 ATOM 1610 O TYR 102 21.073 -35.651 26.733 1.00 62.04 ATOM 1611 N GLN 103 20.558 -37.436 25.463 1.00 33.31 ATOM 1612 HN GLN 103 19.856 -38.063 25.170 1.00 38.16 ATOM 1613 CA GLN 103 21.905 -37.580 24.925 1.00 23.32 ATOM 1614 HA GLN 103 22.616 -37.415 25.728 1.00 3.21 ATOM 1615 CB GLN 103 22.108 -38.992 24.371 1.00 12.32 ATOM 1616 HB1 GLN 103 23.027 -39.032 23.796 1.00 38.16 ATOM 1617 HB2 GLN 103 21.280 -39.221 23.720 1.00 73.23 ATOM 1618 CG GLN 103 22.155 -40.066 25.446 1.00 73.14 ATOM 1619 HG1 GLN 103 21.839 -41.000 25.003 1.00 38.16 ATOM 1620 HG2 GLN 103 21.469 -39.808 26.243 1.00 71.42 ATOM 1621 CD GLN 103 23.545 -40.259 26.017 1.00 24.52 ATOM 1622 OE1 GLN 103 24.492 -40.560 25.289 1.00 1.03 ATOM 1623 NE2 GLN 103 23.676 -40.088 27.327 1.00 4.54 ATOM 1624 HE21 GLN 103 22.887 -39.849 27.863 1.00 51.03 ATOM 1625 HE22 GLN 103 24.568 -40.209 27.714 1.00 32.05 ATOM 1626 C GLN 103 22.168 -36.550 23.832 1.00 2.32 ATOM 1627 O GLN 103 23.317 -36.273 23.490 1.00 51.34 ATOM 1628 N GLY 104 21.095 -35.985 23.288 1.00 52.44 ATOM 1629 HN GLY 104 20.193 -36.243 23.570 1.00 38.16 ATOM 1630 CA GLY 104 21.231 -34.991 22.239 1.00 61.14 ATOM 1631 HA1 GLY 104 21.982 -34.264 22.522 1.00 38.16 ATOM 1632 HA2 GLY 104 20.285 -34.483 22.122 1.00 61.32 ATOM 1633 C GLY 104 21.618 -35.603 20.907 1.00 23.41 ATOM 1634 O GLY 104 22.347 -34.993 20.125 1.00 15.11 ATOM 1635 N GLN 105 21.132 -36.813 20.650 1.00 74.21 ATOM 1636 HN GLN 105 20.504 -37.227 21.286 1.00 38.16 ATOM 1637 CA GLN 105 21.434 -37.509 19.404 1.00 13.45 ATOM 1638 HA GLN 105 22.488 -37.381 19.186 1.00 11.53 ATOM 1639 CB GLN 105 21.145 -39.004 19.548 1.00 41.02 ATOM 1640 HB1 GLN 105 21.549 -39.523 18.690 1.00 38.16 ATOM 1641 HB2 GLN 105 20.074 -39.161 19.578 1.00 12.14 ATOM 1642 CG GLN 105 21.735 -39.620 20.806 1.00 1.54 ATOM 1643 HG1 GLN 105 21.370 -40.634 20.892 1.00 38.16 ATOM 1644 HG2 GLN 105 21.414 -39.061 21.664 1.00 52.34 ATOM 1645 CD GLN 105 23.251 -39.650 20.786 1.00 14.11 ATOM 1646 OE1 GLN 105 23.907 -38.669 21.135 1.00 4.43 ATOM 1647 NE2 GLN 105 23.815 -40.780 20.376 1.00 51.20 ATOM 1648 HE21 GLN 105 23.241 -41.533 20.108 1.00 74.13 ATOM 1649 HE22 GLN 105 24.794 -40.819 20.356 1.00 15.11 ATOM 1650 C GLN 105 20.624 -36.931 18.248 1.00 20.12 ATOM 1651 O GLN 105 21.185 -36.442 17.269 1.00 72.14 ATOM 1652 N ASN 106 19.302 -36.992 18.370 1.00 51.33 ATOM 1653 HN ASN 106 18.908 -37.373 19.180 1.00 38.16 ATOM 1654 CA ASN 106 18.415 -36.475 17.334 1.00 73.32 ATOM 1655 HA ASN 106 19.009 -36.096 16.510 1.00 13.10 ATOM 1656 CB ASN 106 17.495 -37.585 16.821 1.00 34.24 ATOM 1657 HB1 ASN 106 16.567 -37.159 16.473 1.00 38.16 ATOM 1658 HB2 ASN 106 17.284 -38.281 17.617 1.00 70.40 ATOM 1659 CG ASN 106 18.107 -38.357 15.669 1.00 74.34 ATOM 1660 OD1 ASN 106 19.121 -37.949 15.103 1.00 71.43 ATOM 1661 ND2 ASN 106 17.491 -39.479 15.315 1.00 34.41 ATOM 1662 HD21 ASN 106 16.683 -39.756 15.803 1.00 40.22 ATOM 1663 HD22 ASN 106 17.871 -39.993 14.572 1.00 3.33 ATOM 1664 C ASN 106 17.581 -35.312 17.862 1.00 42.31 ATOM 1665 O ASN 106 16.464 -35.502 18.343 1.00 72.24 ATOM 1666 N PHE 107 18.132 -34.106 17.768 1.00 2.04 ATOM 1667 HN PHE 107 19.028 -34.015 17.363 1.00 38.16 ATOM 1668 CA PHE 107 17.440 -32.911 18.237 1.00 42.12 ATOM 1669 HA PHE 107 17.069 -33.110 19.234 1.00 44.40 ATOM 1670 CB PHE 107 18.406 -31.725 18.292 1.00 20.44 ATOM 1671 HB1 PHE 107 18.765 -31.513 17.292 1.00 38.16 ATOM 1672 HB2 PHE 107 19.247 -31.993 18.917 1.00 75.10 ATOM 1673 CG PHE 107 17.793 -30.479 18.863 1.00 11.15 ATOM 1674 CD1 PHE 107 17.119 -30.514 20.074 1.00 70.24 ATOM 1675 HD1 PHE 107 17.035 -31.446 20.614 1.00 53.54 ATOM 1676 CD2 PHE 107 17.891 -29.272 18.191 1.00 52.35 ATOM 1677 HD2 PHE 107 18.413 -29.228 17.245 1.00 4.35 ATOM 1678 CE1 PHE 107 16.553 -29.369 20.601 1.00 42.22 ATOM 1679 HE1 PHE 107 16.030 -29.410 21.545 1.00 21.32 ATOM 1680 CE2 PHE 107 17.327 -28.123 18.713 1.00 3.20 ATOM 1681 HE2 PHE 107 17.406 -27.194 18.175 1.00 33.42 ATOM 1682 CZ PHE 107 16.659 -28.171 19.920 1.00 34.44 ATOM 1683 HZ PHE 107 16.213 -27.284 20.317 1.00 21.21 ATOM 1684 C PHE 107 16.258 -32.577 17.331 1.00 4.53 ATOM 1685 O PHE 107 15.292 -31.948 17.761 1.00 31.51 ATOM 1686 N ASN 108 16.345 -33.001 16.075 1.00 72.12 ATOM 1687 HN ASN 108 17.170 -33.442 15.774 1.00 38.16 ATOM 1688 CA ASN 108 15.284 -32.746 15.107 1.00 33.23 ATOM 1689 HA ASN 108 15.240 -31.681 14.933 1.00 72.35 ATOM 1690 CB ASN 108 15.591 -33.452 13.785 1.00 53.42 ATOM 1691 HB1 ASN 108 16.361 -32.895 13.271 1.00 38.16 ATOM 1692 HB2 ASN 108 14.705 -33.472 13.161 1.00 31.22 ATOM 1693 CG ASN 108 16.094 -34.868 13.988 1.00 52.30 ATOM 1694 OD1 ASN 108 17.221 -35.080 14.436 1.00 14.44 ATOM 1695 ND2 ASN 108 15.258 -35.845 13.658 1.00 61.43 ATOM 1696 HD21 ASN 108 14.368 -35.618 13.304 1.00 20.03 ATOM 1697 HD22 ASN 108 15.565 -36.767 13.782 1.00 55.55 ATOM 1698 C ASN 108 13.934 -33.213 15.644 1.00 22.24 ATOM 1699 O ASN 108 12.962 -32.458 15.654 1.00 72.14 ATOM 1700 N LYS 109 13.882 -34.463 16.092 1.00 63.20 ATOM 1701 HN LYS 109 14.706 -34.992 16.123 1.00 38.16 ATOM 1702 CA LYS 109 12.654 -35.032 16.633 1.00 73.31 ATOM 1703 HA LYS 109 11.901 -35.007 15.857 1.00 71.30 ATOM 1704 CB LYS 109 12.882 -36.486 17.053 1.00 63.13 ATOM 1705 HB1 LYS 109 11.924 -36.921 17.309 1.00 38.16 ATOM 1706 HB2 LYS 109 13.524 -36.508 17.925 1.00 44.53 ATOM 1707 CG LYS 109 13.531 -37.336 15.974 1.00 40.12 ATOM 1708 HG1 LYS 109 14.581 -37.109 15.928 1.00 38.16 ATOM 1709 HG2 LYS 109 13.073 -37.112 15.020 1.00 3.34 ATOM 1710 CD LYS 109 13.356 -38.819 16.252 1.00 74.44 ATOM 1711 HD1 LYS 109 13.815 -39.380 15.451 1.00 38.16 ATOM 1712 HD2 LYS 109 12.301 -39.050 16.295 1.00 52.34 ATOM 1713 CE LYS 109 14.004 -39.220 17.568 1.00 70.42 ATOM 1714 HE1 LYS 109 13.391 -38.847 18.371 1.00 38.16 ATOM 1715 HE2 LYS 109 14.993 -38.784 17.633 1.00 60.41 ATOM 1716 NZ LYS 109 14.124 -40.699 17.699 1.00 14.13 ATOM 1717 HZ1 LYS 109 13.183 -41.144 17.662 1.00 12.22 ATOM 1718 HZ2 LYS 109 14.569 -40.940 18.607 1.00 74.51 ATOM 1719 HZ3 LYS 109 14.710 -41.084 16.929 1.00 40.53 ATOM 1720 C LYS 109 12.157 -34.220 17.825 1.00 75.24 ATOM 1721 O LYS 109 10.955 -34.002 17.982 1.00 43.31 ATOM 1722 N VAL 110 13.088 -33.774 18.661 1.00 23.11 ATOM 1723 HN VAL 110 14.033 -33.954 18.463 1.00 38.16 ATOM 1724 CA VAL 110 12.745 -32.984 19.837 1.00 12.32 ATOM 1725 HA VAL 110 12.016 -33.541 20.415 1.00 42.20 ATOM 1726 CB VAL 110 13.978 -32.734 20.725 1.00 0.14 ATOM 1727 HB VAL 110 14.660 -32.079 20.198 1.00 10.34 ATOM 1728 CG1 VAL 110 13.573 -32.051 22.023 1.00 55.35 ATOM 1729 HG11 VAL 110 13.206 -32.779 22.734 1.00 64.21 ATOM 1730 HG12 VAL 110 12.806 -31.311 21.847 1.00 35.13 ATOM 1731 HG13 VAL 110 14.437 -31.559 22.429 1.00 22.31 ATOM 1732 CG2 VAL 110 14.706 -34.040 21.006 1.00 75.11 ATOM 1733 HG21 VAL 110 14.011 -34.769 21.400 1.00 22.44 ATOM 1734 HG22 VAL 110 15.492 -33.871 21.725 1.00 42.22 ATOM 1735 HG23 VAL 110 15.142 -34.417 20.098 1.00 4.02 ATOM 1736 C VAL 110 12.138 -31.643 19.440 1.00 40.30 ATOM 1737 O VAL 110 11.105 -31.234 19.973 1.00 45.33 ATOM 1738 N LEU 111 12.785 -30.962 18.501 1.00 43.04 ATOM 1739 HN LEU 111 13.608 -31.340 18.112 1.00 38.16 ATOM 1740 CA LEU 111 12.309 -29.666 18.030 1.00 4.42 ATOM 1741 HA LEU 111 12.229 -29.010 18.888 1.00 2.43 ATOM 1742 CB LEU 111 13.302 -29.068 17.031 1.00 13.12 ATOM 1743 HB1 LEU 111 13.050 -29.431 16.039 1.00 38.16 ATOM 1744 HB2 LEU 111 14.293 -29.439 17.272 1.00 23.34 ATOM 1745 CG LEU 111 13.368 -27.541 16.983 1.00 72.04 ATOM 1746 HG LEU 111 12.363 -27.141 16.966 1.00 41.25 ATOM 1747 CD1 LEU 111 14.067 -26.997 18.219 1.00 35.31 ATOM 1748 HD11 LEU 111 15.104 -26.786 18.007 1.00 53.30 ATOM 1749 HD12 LEU 111 14.010 -27.709 19.033 1.00 54.22 ATOM 1750 HD13 LEU 111 13.576 -26.090 18.520 1.00 74.24 ATOM 1751 CD2 LEU 111 14.078 -27.078 15.719 1.00 4.12 ATOM 1752 HD21 LEU 111 13.559 -27.462 14.851 1.00 54.02 ATOM 1753 HD22 LEU 111 15.096 -27.442 15.717 1.00 32.32 ATOM 1754 HD23 LEU 111 14.083 -26.005 15.681 1.00 1.43 ATOM 1755 C LEU 111 10.934 -29.792 17.384 1.00 74.31 ATOM 1756 O LEU 111 10.003 -29.067 17.735 1.00 71.13 ATOM 1757 N SER 112 10.812 -30.720 16.440 1.00 43.24 ATOM 1758 HN SER 112 11.596 -31.271 16.201 1.00 38.16 ATOM 1759 CA SER 112 9.550 -30.941 15.743 1.00 44.10 ATOM 1760 HA SER 112 9.340 -30.064 15.148 1.00 24.53 ATOM 1761 CB SER 112 9.660 -32.154 14.817 1.00 3.03 ATOM 1762 HB1 SER 112 9.708 -33.063 15.403 1.00 38.16 ATOM 1763 HB2 SER 112 10.558 -32.066 14.223 1.00 44.14 ATOM 1764 OG SER 112 8.548 -32.230 13.942 1.00 23.12 ATOM 1765 HG SER 112 8.589 -33.048 13.441 1.00 60.14 ATOM 1766 C SER 112 8.410 -31.146 16.736 1.00 64.30 ATOM 1767 O SER 112 7.308 -30.632 16.547 1.00 1.04 ATOM 1768 N SER 113 8.685 -31.902 17.794 1.00 31.13 ATOM 1769 HN SER 113 9.583 -32.301 17.887 1.00 38.16 ATOM 1770 CA SER 113 7.682 -32.180 18.816 1.00 3.31 ATOM 1771 HA SER 113 6.881 -32.742 18.356 1.00 24.52 ATOM 1772 CB SER 113 8.290 -33.018 19.943 1.00 50.24 ATOM 1773 HB1 SER 113 9.319 -32.743 20.096 1.00 38.16 ATOM 1774 HB2 SER 113 8.236 -34.055 19.663 1.00 12.43 ATOM 1775 OG SER 113 7.577 -32.837 21.154 1.00 61.51 ATOM 1776 HG SER 113 8.002 -32.158 21.683 1.00 71.50 ATOM 1777 C SER 113 7.111 -30.884 19.383 1.00 52.52 ATOM 1778 O SER 113 5.895 -30.693 19.424 1.00 35.33 ATOM 1779 N LEU 114 7.997 -29.995 19.818 1.00 13.35 ATOM 1780 HN LEU 114 8.957 -30.196 19.726 1.00 38.16 ATOM 1781 CA LEU 114 7.582 -28.715 20.383 1.00 23.14 ATOM 1782 HA LEU 114 6.869 -28.908 21.174 1.00 61.42 ATOM 1783 CB LEU 114 8.788 -27.982 20.975 1.00 74.02 ATOM 1784 HB1 LEU 114 8.417 -27.128 21.527 1.00 38.16 ATOM 1785 HB2 LEU 114 9.403 -27.620 20.159 1.00 0.53 ATOM 1786 CG LEU 114 9.682 -28.803 21.905 1.00 42.54 ATOM 1787 HG LEU 114 10.164 -29.578 21.342 1.00 64.34 ATOM 1788 CD1 LEU 114 10.770 -27.928 22.508 1.00 43.35 ATOM 1789 HD11 LEU 114 10.323 -27.123 23.076 1.00 13.23 ATOM 1790 HD12 LEU 114 11.380 -27.518 21.719 1.00 71.41 ATOM 1791 HD13 LEU 114 11.389 -28.524 23.156 1.00 11.45 ATOM 1792 CD2 LEU 114 8.854 -29.458 23.000 1.00 0.22 ATOM 1793 HD21 LEU 114 8.146 -30.147 22.564 1.00 75.41 ATOM 1794 HD22 LEU 114 8.321 -28.701 23.558 1.00 10.31 ATOM 1795 HD23 LEU 114 9.506 -30.001 23.672 1.00 3.24 ATOM 1796 C LEU 114 6.912 -27.844 19.325 1.00 20.35 ATOM 1797 O LEU 114 6.057 -27.016 19.639 1.00 42.32 ATOM 1798 N VAL 115 7.304 -28.039 18.070 1.00 23.44 ATOM 1799 HN VAL 115 8.004 -28.700 17.874 1.00 38.16 ATOM 1800 CA VAL 115 6.739 -27.274 16.965 1.00 23.52 ATOM 1801 HA VAL 115 6.711 -26.228 17.252 1.00 75.44 ATOM 1802 CB VAL 115 7.602 -27.401 15.696 1.00 65.22 ATOM 1803 HB VAL 115 7.620 -28.440 15.393 1.00 54.20 ATOM 1804 CG1 VAL 115 7.005 -26.585 14.560 1.00 73.32 ATOM 1805 HG11 VAL 115 7.701 -26.551 13.731 1.00 60.23 ATOM 1806 HG12 VAL 115 6.804 -25.577 14.895 1.00 55.51 ATOM 1807 HG13 VAL 115 6.087 -27.041 14.223 1.00 13.24 ATOM 1808 CG2 VAL 115 9.033 -26.968 15.979 1.00 11.03 ATOM 1809 HG21 VAL 115 9.711 -27.674 15.524 1.00 70.01 ATOM 1810 HG22 VAL 115 9.228 -26.924 17.040 1.00 25.21 ATOM 1811 HG23 VAL 115 9.214 -25.990 15.557 1.00 61.44 ATOM 1812 C VAL 115 5.320 -27.732 16.649 1.00 31.22 ATOM 1813 O VAL 115 4.511 -26.967 16.123 1.00 11.13 ATOM 1814 N THR 116 5.022 -28.987 16.974 1.00 42.42 ATOM 1815 HN THR 116 5.703 -29.564 17.388 1.00 38.16 ATOM 1816 CA THR 116 3.700 -29.548 16.724 1.00 5.52 ATOM 1817 HA THR 116 3.326 -29.150 15.786 1.00 63.25 ATOM 1818 CB THR 116 3.756 -31.082 16.598 1.00 40.32 ATOM 1819 HB THR 116 4.159 -31.492 17.514 1.00 1.11 ATOM 1820 OG1 THR 116 4.607 -31.453 15.508 1.00 50.14 ATOM 1821 HG1 THR 116 5.525 -31.414 15.788 1.00 51.53 ATOM 1822 CG2 THR 116 2.365 -31.657 16.381 1.00 72.54 ATOM 1823 HG21 THR 116 1.812 -31.639 17.308 1.00 12.13 ATOM 1824 HG22 THR 116 2.454 -32.679 16.042 1.00 60.13 ATOM 1825 HG23 THR 116 1.836 -31.080 15.633 1.00 35.40 ATOM 1826 C THR 116 2.726 -29.176 17.836 1.00 4.33 ATOM 1827 O THR 116 1.602 -28.748 17.573 1.00 13.22 ATOM 1828 N LEU 117 3.165 -29.340 19.080 1.00 75.45 ATOM 1829 HN LEU 117 4.073 -29.697 19.230 1.00 38.16 ATOM 1830 CA LEU 117 2.331 -29.021 20.233 1.00 12.12 ATOM 1831 HA LEU 117 1.509 -29.711 20.250 1.00 25.42 ATOM 1832 CB LEU 117 3.132 -29.182 21.526 1.00 33.34 ATOM 1833 HB1 LEU 117 4.075 -28.666 21.400 1.00 38.16 ATOM 1834 HB2 LEU 117 3.337 -30.236 21.658 1.00 1.33 ATOM 1835 CG LEU 117 2.466 -28.655 22.798 1.00 22.53 ATOM 1836 HG LEU 117 2.322 -27.590 22.719 1.00 0.50 ATOM 1837 CD1 LEU 117 1.097 -29.290 22.986 1.00 13.50 ATOM 1838 HD11 LEU 117 1.196 -30.367 22.992 1.00 25.21 ATOM 1839 HD12 LEU 117 0.439 -29.000 22.187 1.00 10.53 ATOM 1840 HD13 LEU 117 0.671 -28.974 23.926 1.00 51.43 ATOM 1841 CD2 LEU 117 3.348 -28.918 24.010 1.00 23.50 ATOM 1842 HD21 LEU 117 3.189 -29.917 24.380 1.00 51.31 ATOM 1843 HD22 LEU 117 3.107 -28.210 24.783 1.00 22.11 ATOM 1844 HD23 LEU 117 4.386 -28.808 23.733 1.00 2.32 ATOM 1845 C LEU 117 1.785 -27.600 20.134 1.00 71.13 ATOM 1846 O LEU 117 0.704 -27.303 20.641 1.00 4.03 ATOM 1847 N ASN 118 2.539 -26.727 19.474 1.00 0.32 ATOM 1848 HN ASN 118 3.416 -26.999 19.122 1.00 38.16 ATOM 1849 CA ASN 118 2.130 -25.337 19.306 1.00 12.03 ATOM 1850 HA ASN 118 1.690 -24.993 20.235 1.00 70.34 ATOM 1851 CB ASN 118 3.344 -24.461 18.990 1.00 55.13 ATOM 1852 HB1 ASN 118 3.886 -24.895 18.162 1.00 38.16 ATOM 1853 HB2 ASN 118 3.989 -24.423 19.856 1.00 13.15 ATOM 1854 CG ASN 118 2.952 -23.044 18.616 1.00 62.33 ATOM 1855 OD1 ASN 118 2.902 -22.693 17.437 1.00 41.02 ATOM 1856 ND2 ASN 118 2.673 -22.223 19.621 1.00 52.20 ATOM 1857 HD21 ASN 118 2.710 -22.565 20.516 1.00 51.30 ATOM 1858 HD22 ASN 118 2.439 -21.296 19.406 1.00 63.44 ATOM 1859 C ASN 118 1.091 -25.206 18.197 1.00 72.11 ATOM 1860 O ASN 118 0.076 -24.527 18.358 1.00 64.03 ATOM 1861 N LYS 119 1.350 -25.861 17.071 1.00 62.45 ATOM 1862 HN LYS 119 2.183 -26.385 16.996 1.00 38.16 ATOM 1863 CA LYS 119 0.438 -25.821 15.934 1.00 60.12 ATOM 1864 HA LYS 119 0.262 -24.783 15.678 1.00 43.41 ATOM 1865 CB LYS 119 1.056 -26.539 14.732 1.00 42.22 ATOM 1866 HB1 LYS 119 0.270 -26.844 14.050 1.00 38.16 ATOM 1867 HB2 LYS 119 1.567 -27.426 15.086 1.00 64.13 ATOM 1868 CG LYS 119 2.036 -25.681 13.949 1.00 33.42 ATOM 1869 HG1 LYS 119 2.565 -25.025 14.630 1.00 38.16 ATOM 1870 HG2 LYS 119 1.488 -25.085 13.234 1.00 22.23 ATOM 1871 CD LYS 119 3.055 -26.532 13.211 1.00 64.21 ATOM 1872 HD1 LYS 119 3.562 -27.175 13.915 1.00 38.16 ATOM 1873 HD2 LYS 119 3.775 -25.878 12.741 1.00 5.24 ATOM 1874 CE LYS 119 2.396 -27.393 12.145 1.00 75.51 ATOM 1875 HE1 LYS 119 1.510 -26.895 11.768 1.00 38.16 ATOM 1876 HE2 LYS 119 2.113 -28.335 12.589 1.00 30.04 ATOM 1877 NZ LYS 119 3.311 -27.658 11.000 1.00 12.43 ATOM 1878 HZ1 LYS 119 4.164 -28.158 11.327 1.00 3.41 ATOM 1879 HZ2 LYS 119 3.597 -26.764 10.550 1.00 21.32 ATOM 1880 HZ3 LYS 119 2.830 -28.248 10.291 1.00 70.51 ATOM 1881 C LYS 119 -0.901 -26.461 16.288 1.00 42.43 ATOM 1882 O LYS 119 -1.957 -25.855 16.105 1.00 0.14 ATOM 1883 N VAL 120 -0.849 -27.688 16.796 1.00 55.12 ATOM 1884 HN VAL 120 0.027 -28.123 16.901 1.00 38.16 ATOM 1885 CA VAL 120 -2.058 -28.408 17.178 1.00 71.32 ATOM 1886 HA VAL 120 -2.625 -28.614 16.279 1.00 2.52 ATOM 1887 CB VAL 120 -1.721 -29.747 17.861 1.00 12.25 ATOM 1888 HB VAL 120 -2.643 -30.219 18.157 1.00 43.33 ATOM 1889 CG1 VAL 120 -1.014 -30.680 16.890 1.00 11.42 ATOM 1890 HG11 VAL 120 -0.083 -30.240 16.566 1.00 45.41 ATOM 1891 HG12 VAL 120 -1.646 -30.853 16.030 1.00 14.43 ATOM 1892 HG13 VAL 120 -0.813 -31.624 17.377 1.00 3.32 ATOM 1893 CG2 VAL 120 -0.872 -29.512 19.102 1.00 75.21 ATOM 1894 HG21 VAL 120 -0.457 -30.450 19.449 1.00 51.43 ATOM 1895 HG22 VAL 120 -1.491 -29.098 19.881 1.00 50.33 ATOM 1896 HG23 VAL 120 -0.085 -28.835 18.889 1.00 34.34 ATOM 1897 C VAL 120 -2.922 -27.574 18.117 1.00 43.21 ATOM 1898 O VAL 120 -4.150 -27.651 18.082 1.00 14.34 ATOM 1899 N THR 121 -2.271 -26.774 18.957 1.00 72.42 ATOM 1900 HN THR 121 -1.286 -26.760 18.961 1.00 38.16 ATOM 1901 CA THR 121 -2.979 -25.925 19.907 1.00 61.25 ATOM 1902 HA THR 121 -3.865 -26.443 20.242 1.00 11.44 ATOM 1903 CB THR 121 -2.108 -25.612 21.138 1.00 61.31 ATOM 1904 HB THR 121 -2.599 -24.854 21.739 1.00 70.34 ATOM 1905 OG1 THR 121 -0.829 -25.120 20.721 1.00 33.33 ATOM 1906 HG1 THR 121 -0.899 -24.188 20.500 1.00 25.32 ATOM 1907 CG2 THR 121 -1.924 -26.852 22.000 1.00 64.45 ATOM 1908 HG21 THR 121 -2.551 -26.770 22.875 1.00 51.41 ATOM 1909 HG22 THR 121 -0.901 -26.938 22.307 1.00 40.32 ATOM 1910 HG23 THR 121 -2.200 -27.743 21.451 1.00 34.02 ATOM 1911 C THR 121 -3.410 -24.615 19.257 1.00 32.13 ATOM 1912 O THR 121 -4.375 -23.985 19.690 1.00 71.53 ATOM 1913 N ALA 122 -2.690 -24.210 18.217 1.00 64.55 ATOM 1914 HN ALA 122 -1.903 -24.720 17.945 1.00 38.16 ATOM 1915 CA ALA 122 -3.000 -22.976 17.506 1.00 72.20 ATOM 1916 HA ALA 122 -2.911 -22.161 18.206 1.00 11.34 ATOM 1917 CB ALA 122 -1.996 -22.745 16.386 1.00 12.13 ATOM 1918 HB1 ALA 122 -0.994 -22.821 16.782 1.00 1.23 ATOM 1919 HB2 ALA 122 -2.142 -21.758 15.971 1.00 1.23 ATOM 1920 HB3 ALA 122 -2.131 -23.483 15.609 1.00 72.52 ATOM 1921 C ALA 122 -4.419 -23.006 16.949 1.00 53.22 ATOM 1922 O ALA 122 -5.082 -21.972 16.856 1.00 24.12 ATOM 1923 N ASP 123 -4.880 -24.196 16.579 1.00 42.55 ATOM 1924 HN ASP 123 -4.306 -24.993 16.665 1.00 38.16 ATOM 1925 CA ASP 123 -6.221 -24.360 16.030 1.00 11.54 ATOM 1926 HA ASP 123 -6.416 -23.530 15.359 1.00 32.22 ATOM 1927 CB ASP 123 -6.316 -25.666 15.241 1.00 34.11 ATOM 1928 HB1 ASP 123 -6.305 -26.507 15.922 1.00 38.16 ATOM 1929 HB2 ASP 123 -5.464 -25.738 14.580 1.00 63.15 ATOM 1930 CG ASP 123 -7.574 -25.742 14.397 1.00 24.43 ATOM 1931 OD1 ASP 123 -8.517 -26.456 14.800 1.00 45.21 ATOM 1932 OD2 ASP 123 -7.615 -25.088 13.335 1.00 70.03 ATOM 1933 C ASP 123 -7.267 -24.344 17.140 1.00 14.14 ATOM 1934 O ASP 123 -8.414 -23.952 16.921 1.00 42.44 ATOM 1935 N ILE 124 -6.865 -24.774 18.332 1.00 52.34 ATOM 1936 HN ILE 124 -5.937 -25.052 18.453 1.00 38.16 ATOM 1937 CA ILE 124 -7.768 -24.809 19.475 1.00 11.24 ATOM 1938 HA ILE 124 -8.671 -25.331 19.175 1.00 54.34 ATOM 1939 CB ILE 124 -7.144 -25.566 20.662 1.00 20.23 ATOM 1940 HB ILE 124 -6.316 -24.985 21.047 1.00 2.35 ATOM 1941 CG1 ILE 124 -6.618 -26.929 20.206 1.00 0.32 ATOM 1942 HG11 ILE 124 -5.890 -26.796 19.430 1.00 38.16 ATOM 1943 HG12 ILE 124 -7.437 -27.521 19.824 1.00 22.41 ATOM 1944 CG2 ILE 124 -8.163 -25.733 21.779 1.00 14.23 ATOM 1945 HG21 ILE 124 -7.708 -26.233 22.621 1.00 2.50 ATOM 1946 HG22 ILE 124 -8.998 -26.320 21.425 1.00 4.44 ATOM 1947 HG23 ILE 124 -8.521 -24.767 22.104 1.00 72.03 ATOM 1948 CD1 ILE 124 -5.955 -27.721 21.311 1.00 44.01 ATOM 1949 HD11 ILE 124 -5.442 -28.569 20.883 1.00 71.44 ATOM 1950 HD12 ILE 124 -6.705 -28.072 22.004 1.00 3.11 ATOM 1951 HD13 ILE 124 -5.243 -27.098 21.834 1.00 13.41 ATOM 1952 C ILE 124 -8.141 -23.400 19.925 1.00 22.20 ATOM 1953 O ILE 124 -9.275 -23.146 20.329 1.00 43.35 ATOM 1954 N GLY 125 -7.177 -22.487 19.851 1.00 54.32 ATOM 1955 HN GLY 125 -6.277 -22.745 19.541 1.00 38.16 ATOM 1956 CA GLY 125 -7.424 -21.114 20.252 1.00 53.02 ATOM 1957 HA1 GLY 125 -7.626 -21.089 21.314 1.00 38.16 ATOM 1958 HA2 GLY 125 -8.290 -20.737 19.722 1.00 41.33 ATOM 1959 C GLY 125 -6.247 -20.204 19.961 1.00 30.43 ATOM 1960 O GLY 125 -6.381 -19.214 19.241 1.00 63.21 ATOM 1961 N LEU 126 -5.091 -20.538 20.524 1.00 62.44 ATOM 1962 HN LEU 126 -5.049 -21.348 21.085 1.00 38.16 ATOM 1963 HA LEU 126 -4.049 -18.767 20.750 1.00 4.22 ATOM 1964 CB LEU 126 -2.692 -20.405 21.016 1.00 12.22 ATOM 1965 HB1 LEU 126 -1.818 -19.788 20.843 1.00 38.16 ATOM 1966 HB2 LEU 126 -2.525 -21.370 20.553 1.00 74.45 ATOM 1967 CG LEU 126 -2.829 -20.622 22.524 1.00 44.24 ATOM 1968 HG LEU 126 -3.624 -21.328 22.711 1.00 60.44 ATOM 1969 CD1 LEU 126 -1.546 -21.202 23.098 1.00 65.34 ATOM 1970 HD11 LEU 126 -1.667 -21.371 24.159 1.00 14.01 ATOM 1971 HD12 LEU 126 -0.728 -20.513 22.935 1.00 43.25 ATOM 1972 HD13 LEU 126 -1.324 -22.142 22.612 1.00 41.24 ATOM 1973 CD2 LEU 126 -3.184 -19.316 23.220 1.00 21.44 ATOM 1974 HD21 LEU 126 -4.160 -18.985 22.899 1.00 72.45 ATOM 1975 HD22 LEU 126 -2.450 -18.560 22.979 1.00 12.02 ATOM 1976 HD23 LEU 126 -3.199 -19.468 24.292 1.00 50.23 ATOM 1977 CA LEU 126 -3.884 -19.743 20.322 1.00 33.25 ATOM 1978 C LEU 126 -3.589 -19.568 18.836 1.00 12.23 ATOM 1979 OT1 LEU 126 -4.226 -20.188 17.983 1.00 38.16 ATOM 1980 OT2 LEU 126 -2.688 -18.756 18.527 1.00 38.16 ATOM 1981 OH2 TIP3 1 -8.198 -40.010 13.553 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -7.578 -40.687 13.280 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.406 -40.228 14.461 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -10.626 -45.621 15.445 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -10.322 -46.307 14.851 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -9.904 -45.503 16.063 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -14.543 -44.568 18.194 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -14.549 -43.689 17.816 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -15.397 -44.651 18.619 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -4.797 -43.275 15.689 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -5.739 -43.217 15.850 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -4.521 -42.369 15.552 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -6.545 -41.494 12.314 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -6.120 -42.201 11.829 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -6.228 -40.693 11.897 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -3.700 -45.027 19.300 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.560 -45.618 18.561 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -3.532 -44.154 18.944 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -12.809 -43.797 14.588 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -12.904 -44.375 13.831 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -12.080 -44.168 15.084 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -7.500 -42.953 16.274 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -7.741 -42.291 16.922 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -7.698 -43.787 16.699 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -12.929 -44.057 20.257 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -13.241 -43.275 20.713 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -13.579 -44.210 19.571 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -14.690 -41.985 21.021 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -14.682 -42.121 20.073 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -15.606 -42.103 21.273 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -9.545 -45.812 19.666 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -9.891 -46.193 20.472 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -9.745 -44.878 19.737 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -1.600 -45.305 20.820 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -2.452 -45.067 20.453 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -1.010 -45.322 20.067 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -11.623 -41.371 17.494 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -11.260 -40.516 17.261 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -11.091 -41.663 18.235 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -8.079 -45.272 17.195 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -8.505 -45.499 18.021 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.498 -46.010 17.012 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -4.150 -40.466 15.631 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -4.306 -39.788 14.974 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -3.218 -40.394 15.834 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -13.839 -40.876 23.479 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -13.071 -41.335 23.820 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -13.860 -41.102 22.549 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -11.874 -46.015 22.246 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -12.202 -45.744 21.388 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -11.722 -46.956 22.158 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -6.139 -46.099 19.629 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -5.394 -45.511 19.509 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -6.896 -45.517 19.692 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -8.730 -47.305 22.885 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -7.777 -47.221 22.857 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -8.890 -48.016 23.504 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -5.684 -48.008 21.528 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -5.965 -47.299 20.950 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -4.741 -48.081 21.377 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -3.420 -44.459 23.420 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -4.286 -44.564 23.814 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -3.044 -43.700 23.867 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -1.966 -45.364 15.706 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -1.132 -45.742 15.425 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -1.854 -44.421 15.587 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -3.479 -42.486 18.013 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.127 -42.161 18.638 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -3.997 -42.926 17.338 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -4.696 -39.726 11.432 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -4.043 -40.073 10.824 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -4.185 -39.237 12.078 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -14.357 -41.822 18.234 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -14.782 -41.013 17.951 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -13.452 -41.737 17.932 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -14.488 -38.966 17.311 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -15.353 -38.894 17.715 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -14.543 -38.419 16.527 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -12.862 -40.763 14.695 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -12.649 -41.651 14.408 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -12.797 -40.797 15.650 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -2.716 -39.946 9.440 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -2.910 -40.694 8.875 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -2.755 -39.188 8.856 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -5.309 -45.115 32.197 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -5.750 -45.835 32.647 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -5.322 -44.394 32.827 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -8.198 -40.010 32.409 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -7.578 -40.687 32.136 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -8.406 -40.228 33.317 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -4.797 -43.275 34.545 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -5.739 -43.217 34.706 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -4.521 -42.369 34.408 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -6.545 -41.494 31.170 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -6.120 -42.201 30.685 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -6.228 -40.693 30.753 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -5.386 -43.593 29.679 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -5.643 -44.283 29.067 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -5.315 -44.036 30.524 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -3.700 -45.027 38.156 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -3.560 -45.618 37.417 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -3.532 -44.154 37.800 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -1.858 -48.687 36.222 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -2.510 -47.992 36.311 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -1.393 -48.477 35.412 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -7.500 -42.953 35.130 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -7.741 -42.291 35.778 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -7.698 -43.787 35.555 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -9.224 -41.956 30.000 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -8.750 -41.661 30.778 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -9.787 -41.218 29.767 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -9.752 -39.000 28.415 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -9.827 -39.121 27.469 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -9.719 -38.050 28.534 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -6.981 -39.920 28.167 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -7.916 -39.820 28.346 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -6.701 -40.629 28.745 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.473 -47.660 24.195 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.431 -47.883 23.265 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -4.624 -47.262 24.385 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -11.065 -45.996 27.285 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -11.809 -46.503 26.962 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -11.199 -45.947 28.231 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -3.915 -46.863 36.071 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -3.273 -46.406 35.528 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.745 -46.750 35.609 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -8.939 -44.537 26.310 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.234 -43.711 26.692 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -9.642 -45.157 26.506 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -7.295 -43.350 38.472 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -8.196 -43.167 38.204 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -7.261 -43.091 39.393 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -1.600 -45.305 39.676 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -2.452 -45.067 39.309 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -1.010 -45.322 38.923 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.079 -45.272 36.051 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.505 -45.499 36.877 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -7.498 -46.010 35.868 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.876 -44.343 25.125 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -5.523 -44.723 25.929 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -6.825 -44.436 25.211 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -5.010 -45.670 27.351 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -5.287 -46.398 27.907 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -4.083 -45.551 27.557 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -11.785 -43.231 23.572 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -11.546 -43.979 23.024 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -12.054 -43.619 24.404 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -12.848 -43.661 26.028 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -12.701 -44.181 26.818 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -12.851 -42.754 26.334 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -10.110 -41.963 26.777 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -10.927 -41.466 26.830 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -9.581 -41.488 26.137 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -12.772 -40.920 26.759 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -12.611 -40.120 26.258 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -12.969 -40.613 27.644 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -7.262 -42.496 41.064 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -7.613 -43.352 41.307 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -6.536 -42.353 41.671 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -14.188 -45.641 23.801 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -14.124 -46.435 24.332 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -13.535 -45.760 23.112 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -8.836 -44.594 23.537 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -9.104 -44.414 24.438 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -9.042 -45.520 23.406 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -6.139 -46.099 38.485 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -5.394 -45.511 38.365 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -6.896 -45.517 38.548 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -2.578 -47.071 23.815 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -2.851 -47.496 23.002 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -2.538 -46.140 23.598 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -12.070 -38.735 25.371 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -11.137 -38.577 25.515 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -12.334 -38.060 24.746 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -3.420 -44.459 42.276 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -4.286 -44.564 42.670 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -3.044 -43.700 42.723 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -2.119 -46.202 27.790 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -1.269 -45.781 27.918 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -2.114 -46.942 28.398 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -1.725 -48.149 29.614 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -2.451 -48.628 30.012 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -1.144 -47.943 30.346 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -1.966 -45.364 34.562 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -1.132 -45.742 34.281 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -1.854 -44.421 34.443 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -3.082 -47.658 39.816 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.499 -48.392 40.007 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -2.518 -46.886 39.862 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.696 -39.726 30.288 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -4.043 -40.073 29.680 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.185 -39.237 30.934 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -7.701 -39.138 39.293 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -7.024 -39.770 39.053 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.379 -38.736 40.101 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -9.777 -39.078 35.343 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -10.234 -38.549 34.689 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -9.614 -38.475 36.068 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -7.450 -40.200 36.288 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -8.354 -40.035 36.022 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -7.021 -39.347 36.222 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -2.062 -42.577 43.611 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -1.989 -41.638 43.781 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -1.157 -42.882 43.554 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -6.650 -39.846 44.274 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -6.275 -40.590 43.803 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -6.646 -40.116 45.192 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -3.268 -42.319 46.160 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -3.641 -43.145 46.470 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -2.991 -42.502 45.263 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -5.876 -44.343 43.981 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -5.523 -44.723 44.785 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -6.825 -44.436 44.067 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -1.372 -39.863 44.182 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -0.629 -39.277 44.042 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -2.067 -39.295 44.515 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -5.143 -41.551 42.800 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -4.860 -42.345 43.253 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -4.403 -41.318 42.239 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -2.578 -47.071 42.671 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -2.851 -47.496 41.858 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -2.538 -46.140 42.454 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -15.723 -25.133 15.167 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -16.093 -25.935 14.798 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -14.782 -25.302 15.214 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -7.485 -32.371 15.773 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -7.342 -33.318 15.793 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -7.591 -32.164 14.844 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -12.554 -30.323 13.023 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -11.938 -30.849 13.532 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -13.140 -30.963 12.619 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -12.951 -27.676 17.407 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -13.691 -27.078 17.510 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -12.237 -27.122 17.091 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -4.844 -34.848 13.427 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.059 -35.614 13.959 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.188 -34.376 13.940 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -14.543 -25.712 18.194 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -14.549 -24.833 17.816 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -15.397 -25.795 18.619 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -11.494 -38.046 14.572 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -11.611 -38.995 14.518 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -12.349 -37.714 14.845 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -9.227 -29.209 9.072 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -9.939 -28.674 8.721 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -8.536 -29.153 8.412 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -5.821 -28.999 10.024 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -6.553 -28.771 10.597 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -5.374 -29.713 10.479 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -14.176 -28.369 11.907 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -14.506 -28.739 11.088 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -13.588 -29.039 12.253 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -12.809 -24.941 14.588 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -12.904 -25.519 13.831 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -12.080 -25.312 15.084 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -13.809 -29.600 15.540 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -13.244 -29.479 14.777 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -13.490 -28.963 16.179 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -12.929 -25.201 20.257 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -13.241 -24.419 20.713 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -13.579 -25.354 19.571 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.950 -29.837 7.709 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -6.371 -29.687 8.456 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.536 -29.366 6.986 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -14.690 -23.129 21.021 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -14.682 -23.265 20.073 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -15.606 -23.247 21.273 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -9.752 -20.144 9.559 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -9.827 -20.265 8.613 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -9.719 -19.194 9.678 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -6.650 -20.990 6.562 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -6.275 -21.734 6.091 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -6.646 -21.260 7.480 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -6.981 -21.064 9.311 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -7.916 -20.964 9.490 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -6.701 -21.773 9.889 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -8.601 -31.540 10.174 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -9.010 -30.725 9.882 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -7.881 -31.680 9.559 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -9.499 -31.365 21.662 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -10.062 -32.069 21.982 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -8.673 -31.485 22.129 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -7.597 -32.094 12.988 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -7.792 -31.489 12.273 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -7.415 -32.928 12.553 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -8.333 -30.456 17.659 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -8.009 -31.087 17.016 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -8.773 -30.991 18.320 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -7.150 -35.294 15.707 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -7.827 -35.163 16.371 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -7.636 -35.449 14.897 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -10.235 -31.741 14.330 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -9.671 -32.288 13.783 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -10.383 -32.263 15.119 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -11.609 -33.353 16.744 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -12.444 -32.899 16.854 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -11.085 -33.077 17.496 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -11.065 -27.140 8.429 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -11.809 -27.647 8.106 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -11.199 -27.091 9.375 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -15.940 -27.845 14.198 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -15.195 -27.847 13.597 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -15.862 -28.669 14.680 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.939 -25.681 7.454 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.234 -24.855 7.836 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -9.642 -26.301 7.650 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -11.915 -29.867 21.726 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -12.211 -30.033 20.831 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -10.984 -30.087 21.716 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -1.564 -32.249 7.983 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -2.118 -32.645 7.311 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -1.463 -31.339 7.706 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.268 -23.463 8.448 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.641 -24.289 8.758 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -2.991 -23.646 7.551 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -13.565 -24.327 11.603 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -13.038 -23.554 11.402 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -14.445 -24.102 11.301 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -12.138 -26.664 11.179 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -12.379 -25.739 11.221 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -12.878 -27.123 11.575 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -13.454 -21.642 10.724 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -14.404 -21.537 10.776 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -13.103 -20.822 11.069 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -5.876 -25.487 6.269 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -5.523 -25.867 7.073 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -6.825 -25.580 6.355 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -5.010 -26.814 8.495 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -5.287 -27.542 9.051 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -4.083 -26.695 8.701 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -8.563 -34.890 17.961 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -7.865 -34.816 18.611 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -8.944 -35.754 18.116 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -10.110 -23.107 7.921 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -10.927 -22.610 7.974 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -9.581 -22.632 7.281 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -10.043 -32.524 19.078 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -9.924 -31.950 19.835 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -9.388 -33.212 19.193 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -5.237 -30.866 14.009 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -6.034 -31.281 13.680 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -4.792 -31.557 14.500 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -13.839 -22.020 23.479 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -13.071 -22.479 23.820 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -13.860 -22.246 22.549 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -11.874 -27.159 22.246 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -12.202 -26.888 21.388 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -11.722 -28.100 22.158 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -13.750 -30.920 19.607 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -14.368 -30.245 19.888 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -13.406 -30.599 18.774 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -12.998 -35.195 18.182 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -12.462 -34.744 17.530 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -13.850 -35.303 17.760 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -11.416 -29.756 18.422 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.665 -29.912 17.849 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -11.755 -28.904 18.146 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -12.192 -37.739 18.614 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -12.290 -36.792 18.508 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -12.935 -38.111 18.138 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -10.928 -33.417 22.177 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -11.164 -33.637 23.079 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -11.711 -33.624 21.668 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -11.970 -38.445 21.285 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -11.258 -39.085 21.271 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -12.071 -38.178 20.371 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -11.617 -36.762 23.339 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -11.748 -37.238 22.518 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -12.216 -36.018 23.283 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -2.119 -27.346 8.934 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -1.269 -26.925 9.062 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -2.114 -28.086 9.542 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -1.725 -29.293 10.758 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -2.451 -29.772 11.156 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -1.144 -29.087 11.490 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -1.457 -29.392 7.149 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -1.978 -29.035 6.430 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -1.490 -28.717 7.827 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -3.938 -30.772 11.321 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -4.088 -31.717 11.301 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -4.292 -30.491 12.165 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -3.614 -35.926 9.832 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -3.432 -36.375 10.657 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -4.214 -36.511 9.368 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -4.696 -20.870 11.432 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -4.043 -21.217 10.824 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -4.185 -20.381 12.078 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -14.357 -22.966 18.234 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -14.782 -22.157 17.951 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -13.452 -22.881 17.932 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -14.488 -20.110 17.311 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -15.353 -20.038 17.715 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -14.543 -19.563 16.527 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -15.399 -22.377 13.847 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -15.618 -23.293 14.016 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -14.575 -22.237 14.313 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.862 -21.907 14.695 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -12.649 -22.795 14.408 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -12.797 -21.941 15.650 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -9.353 -36.243 13.840 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -10.028 -36.872 14.095 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -8.789 -36.727 13.237 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -4.211 -38.136 13.952 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -3.607 -37.588 13.451 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -5.080 -37.816 13.712 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -2.484 -36.997 12.286 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -1.872 -37.511 11.759 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -2.101 -36.119 12.309 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -6.890 -37.652 13.124 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -6.814 -37.557 12.175 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -7.166 -38.560 13.253 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -2.716 -21.090 9.440 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -2.910 -21.838 8.875 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -2.755 -20.332 8.856 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -15.096 -37.744 22.715 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -14.197 -38.018 22.530 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -15.482 -38.487 23.179 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -8.198 -21.154 32.409 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -7.578 -21.831 32.136 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -8.406 -21.372 33.317 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -10.626 -26.765 34.301 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -10.322 -27.451 33.707 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -9.904 -26.647 34.919 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -12.554 -30.323 31.879 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -11.938 -30.849 32.388 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -13.140 -30.963 31.475 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -11.494 -38.046 33.428 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -11.611 -38.995 33.374 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -12.349 -37.714 33.701 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -6.545 -22.638 31.170 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -6.120 -23.345 30.685 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -6.228 -21.837 30.753 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -3.700 -26.171 38.156 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -3.560 -26.762 37.417 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -3.532 -25.298 37.800 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -9.227 -29.209 27.928 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -9.939 -28.674 27.577 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -8.536 -29.153 27.268 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -9.173 -30.751 24.967 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -8.472 -30.729 25.618 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -8.871 -31.379 24.311 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -12.809 -24.941 33.444 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -12.904 -25.519 32.687 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -12.080 -25.312 33.940 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -7.500 -24.097 35.130 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.741 -23.435 35.778 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -7.698 -24.931 35.555 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -9.224 -23.100 30.000 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -8.750 -22.805 30.778 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -9.787 -22.362 29.767 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -1.145 -23.490 39.733 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -1.194 -24.445 39.696 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -1.971 -23.222 40.135 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -6.650 -20.990 25.418 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -6.275 -21.734 24.947 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -6.646 -21.260 26.336 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -6.981 -21.064 28.167 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -7.916 -20.964 28.346 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -6.701 -21.773 28.745 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -3.993 -31.997 40.213 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -4.400 -31.516 39.493 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -3.952 -32.902 39.906 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.562 -37.421 37.580 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -9.142 -37.836 38.333 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -10.495 -37.599 37.697 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.236 -33.665 38.434 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -6.750 -33.791 39.231 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -6.391 -32.753 38.189 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -8.601 -31.540 29.030 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -9.010 -30.725 28.738 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -7.881 -31.680 28.415 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -9.499 -31.365 40.518 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -10.062 -32.069 40.838 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -8.673 -31.485 40.985 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.018 -34.483 23.966 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -13.449 -34.928 24.696 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -13.736 -34.111 23.454 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -8.333 -30.456 36.515 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -8.009 -31.087 35.872 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -8.773 -30.991 37.176 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -11.555 -34.529 31.299 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -12.466 -34.472 31.588 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -11.050 -34.589 32.110 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -13.074 -32.900 27.782 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -12.142 -32.771 27.960 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -13.289 -32.230 27.133 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -10.235 -31.741 33.186 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -9.671 -32.288 32.639 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -10.383 -32.263 33.975 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -11.609 -33.353 35.600 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -12.444 -32.899 35.710 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.085 -33.077 36.352 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -11.065 -27.140 27.285 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -11.809 -27.647 26.962 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -11.199 -27.091 28.231 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -9.545 -26.956 38.522 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -9.891 -27.337 39.328 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -9.745 -26.022 38.593 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -8.939 -25.681 26.310 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -9.234 -24.855 26.692 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -9.642 -26.301 26.506 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -7.295 -24.494 38.472 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -8.196 -24.311 38.204 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -7.261 -24.235 39.393 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -1.600 -26.449 39.676 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -2.452 -26.211 39.309 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -1.010 -26.466 38.923 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -12.138 -26.664 30.035 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -12.379 -25.739 30.077 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -12.878 -27.123 30.431 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -8.079 -26.416 36.051 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -8.505 -26.643 36.877 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -7.498 -27.154 35.868 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -5.420 -21.864 38.520 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -6.022 -22.419 38.025 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -5.139 -21.197 37.894 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -11.785 -24.375 23.572 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.546 -25.123 23.024 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -12.054 -24.763 24.404 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -12.848 -24.805 26.028 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -12.701 -25.325 26.818 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -12.851 -23.898 26.334 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -8.563 -34.890 36.817 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -7.865 -34.816 37.467 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -8.944 -35.754 36.972 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -10.110 -23.107 26.777 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -10.927 -22.610 26.830 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.581 -22.632 26.137 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.579 -33.510 28.749 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -9.767 -33.006 28.795 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -10.824 -33.655 29.663 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.043 -32.524 37.934 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -9.924 -31.950 38.691 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -9.388 -33.212 38.049 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -9.695 -36.429 29.687 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -10.042 -35.811 30.332 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -9.037 -35.928 29.206 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -12.772 -22.064 26.759 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -12.611 -21.264 26.258 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -12.969 -21.757 27.644 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -14.038 -35.366 26.375 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -14.121 -34.477 26.721 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -13.148 -35.631 26.606 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -3.839 -34.617 38.769 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -4.755 -34.354 38.681 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -3.503 -34.620 37.872 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -4.150 -21.610 34.487 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -4.306 -20.932 33.830 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -3.218 -21.538 34.690 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -14.188 -26.785 23.801 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -14.124 -27.579 24.332 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -13.535 -26.904 23.112 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -6.139 -27.243 38.485 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -5.394 -26.655 38.365 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -6.896 -26.661 38.548 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -13.039 -28.813 26.107 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -13.498 -29.297 26.793 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -12.784 -29.481 25.471 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -11.968 -30.570 24.370 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -12.148 -30.724 23.442 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -11.017 -30.462 24.414 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -11.416 -29.756 37.278 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -10.665 -29.912 36.705 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -11.755 -28.904 37.002 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -5.684 -29.152 40.384 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -5.965 -28.443 39.806 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -4.741 -29.225 40.233 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -8.212 -34.290 40.109 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -9.160 -34.258 40.241 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -7.900 -34.915 40.763 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -6.578 -35.656 42.114 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -6.675 -36.608 42.108 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -6.900 -35.387 42.975 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -12.070 -19.879 25.371 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -11.137 -19.721 25.515 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.334 -19.204 24.746 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -1.871 -21.393 37.638 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -2.358 -22.128 37.267 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -1.322 -21.786 38.316 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -3.420 -25.603 42.276 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -4.286 -25.708 42.670 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -3.044 -24.844 42.723 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -3.479 -23.630 36.869 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -4.127 -23.305 37.494 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -3.997 -24.070 36.194 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -3.082 -28.802 39.816 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -2.499 -29.536 40.007 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -2.518 -28.030 39.862 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -1.585 -30.899 40.500 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -2.448 -31.278 40.335 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -0.981 -31.638 40.426 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -4.696 -20.870 30.288 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -4.043 -21.217 29.680 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.185 -20.381 30.934 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -7.450 -21.344 36.288 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -8.354 -21.179 36.022 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -7.021 -20.491 36.222 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -4.845 -19.774 36.583 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -5.027 -18.858 36.372 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -4.669 -20.184 35.736 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -9.353 -36.243 32.696 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -10.028 -36.872 32.951 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -8.789 -36.727 32.093 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -6.890 -37.652 31.980 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -6.814 -37.557 31.031 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -7.166 -38.560 32.109 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -11.303 -35.602 27.221 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -11.125 -36.248 27.904 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -11.357 -34.768 27.688 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -9.425 -20.653 25.616 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -8.559 -20.287 25.438 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -9.672 -21.093 24.803 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -6.674 -38.412 41.753 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -6.598 -38.838 42.607 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -5.781 -38.398 41.411 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -3.252 -38.087 45.234 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -4.151 -37.948 45.529 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.000 -37.256 44.832 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -1.564 -32.249 45.695 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -2.118 -32.645 45.023 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -1.463 -31.339 45.418 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -2.578 -28.215 42.671 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -2.851 -28.640 41.858 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -2.538 -27.284 42.454 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -3.108 -32.152 43.412 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -3.011 -31.485 42.732 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -3.248 -32.968 42.930 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -3.860 -34.744 42.529 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -3.250 -35.116 43.166 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -4.697 -35.166 42.725 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -1.748 -35.859 44.072 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -1.335 -36.580 43.596 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -1.066 -35.189 44.130 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -7.485 -13.515 15.773 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -7.342 -14.462 15.793 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -7.591 -13.308 14.844 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -1.571 -14.830 18.542 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -2.260 -14.172 18.447 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -1.556 -15.027 19.479 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -4.844 -15.992 13.427 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -5.059 -16.758 13.959 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -4.188 -15.520 13.940 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -11.494 -19.190 14.572 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -11.611 -20.139 14.518 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -12.349 -18.858 14.845 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -1.858 -10.975 17.366 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -2.510 -10.280 17.455 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -1.393 -10.765 16.556 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -5.924 -11.969 19.092 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -5.844 -11.206 19.664 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -6.525 -11.690 18.401 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -3.993 -13.141 21.357 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -4.400 -12.660 20.637 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -3.952 -14.046 21.050 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -6.236 -14.809 19.578 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -6.750 -14.935 20.375 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -6.391 -13.897 19.333 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -9.499 -12.509 21.662 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -10.062 -13.213 21.982 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -8.673 -12.629 22.129 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -7.150 -16.438 15.707 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -7.827 -16.307 16.371 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -7.636 -16.593 14.897 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -11.609 -14.497 16.744 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -12.444 -14.043 16.854 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -11.085 -14.221 17.496 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -8.563 -16.034 17.961 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -7.865 -15.960 18.611 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -8.944 -16.898 18.116 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -10.043 -13.668 19.078 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -9.924 -13.094 19.835 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -9.388 -14.356 19.193 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -12.998 -16.339 18.182 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -12.462 -15.888 17.530 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -13.850 -16.447 17.760 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -7.000 -13.085 23.450 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -6.808 -14.016 23.339 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -6.143 -12.660 23.440 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -12.192 -18.883 18.614 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -12.290 -17.936 18.508 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -12.935 -19.255 18.138 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -10.928 -14.561 22.177 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -11.164 -14.781 23.079 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -11.711 -14.768 21.668 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -8.212 -15.434 21.253 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.160 -15.402 21.385 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -7.900 -16.059 21.907 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -6.578 -16.800 23.258 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -6.675 -17.752 23.252 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -6.900 -16.531 24.119 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -11.970 -19.589 21.285 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -11.258 -20.229 21.271 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -12.071 -19.322 20.371 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -11.617 -17.906 23.339 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -11.748 -18.382 22.518 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -12.216 -17.162 23.283 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -1.585 -12.043 21.644 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -2.448 -12.422 21.479 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -0.981 -12.782 21.570 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -3.616 -13.752 15.219 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -2.683 -13.540 15.185 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -3.851 -13.650 16.142 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -3.587 -13.015 17.995 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -4.430 -12.747 18.361 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -3.144 -12.193 17.784 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -9.353 -17.387 13.840 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -10.028 -18.016 14.095 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -8.789 -17.871 13.237 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -4.211 -19.280 13.952 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -3.607 -18.732 13.451 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -5.080 -18.960 13.712 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -2.484 -18.141 12.286 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -1.872 -18.655 11.759 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -2.101 -17.263 12.309 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -6.890 -18.796 13.124 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -6.814 -18.701 12.175 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -7.166 -19.704 13.253 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -15.096 -18.888 22.715 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -14.197 -19.162 22.530 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -15.482 -19.631 23.179 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -1.963 -16.308 35.162 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.914 -15.698 35.898 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -1.537 -15.847 34.439 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -1.571 -14.830 37.398 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -2.260 -14.172 37.303 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -1.556 -15.027 38.335 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -4.844 -15.992 32.283 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -5.059 -16.758 32.815 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -4.188 -15.520 32.796 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -4.497 -17.277 35.962 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -5.233 -16.666 35.924 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -3.813 -16.862 35.436 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.900 -16.072 24.865 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -10.154 -16.053 25.788 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.157 -16.944 24.564 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -7.167 -15.470 25.484 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -8.105 -15.358 25.333 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -6.870 -14.613 25.790 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -6.449 -13.603 27.145 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -5.557 -13.740 27.464 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.392 -12.812 26.608 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -1.564 -13.393 26.839 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -2.118 -13.789 26.167 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -1.463 -12.483 26.562 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -7.779 -16.382 27.914 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -7.559 -15.910 27.111 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -7.221 -15.987 28.585 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -1.457 -10.536 26.005 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -1.978 -10.179 25.286 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -1.490 -9.861 26.683 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -3.108 -13.296 24.556 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -3.011 -12.629 23.876 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -3.248 -14.112 24.074 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -4.228 -14.333 28.639 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -3.948 -15.240 28.764 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -3.469 -13.899 28.250 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -3.616 -13.752 34.075 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -2.683 -13.540 34.041 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -3.851 -13.650 34.998 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -3.614 -17.070 28.688 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -3.432 -17.519 29.513 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -4.214 -17.655 28.224 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -2.783 -18.836 38.373 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -3.596 -18.511 37.985 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -2.550 -19.596 37.840 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -4.211 -19.280 32.808 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -3.607 -18.732 32.307 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -5.080 -18.960 32.568 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -6.890 -18.796 31.980 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.814 -18.701 31.031 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -7.166 -19.704 32.109 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -5.537 -18.770 27.673 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -6.240 -18.156 27.463 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -5.982 -19.608 27.804 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 13.547 -45.115 13.341 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 13.106 -45.835 13.791 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 13.534 -44.394 13.971 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 3.133 -43.989 15.167 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 2.763 -44.791 14.798 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 4.074 -44.158 15.214 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 8.230 -45.621 15.445 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 8.534 -46.307 14.851 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 8.952 -45.503 16.063 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 5.905 -46.532 17.407 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 5.165 -45.934 17.510 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 6.619 -45.978 17.091 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 4.313 -44.568 18.194 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 4.307 -43.689 17.816 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 3.459 -44.651 18.619 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 12.311 -41.494 12.314 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 12.736 -42.201 11.829 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 12.628 -40.693 11.897 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 13.470 -43.593 10.823 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 13.213 -44.283 10.211 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 13.541 -44.036 11.668 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 16.998 -48.687 17.366 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 16.346 -47.992 17.455 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 17.463 -48.477 16.556 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 12.932 -49.681 19.092 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 13.012 -48.918 19.664 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 12.331 -49.402 18.401 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 6.047 -43.797 14.588 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 5.952 -44.375 13.831 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 6.776 -44.168 15.084 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 5.927 -44.057 20.257 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 5.615 -43.275 20.713 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 5.277 -44.210 19.571 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 9.632 -41.956 11.144 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 10.106 -41.661 11.922 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 9.069 -41.218 10.911 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -0.237 -45.792 18.311 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -0.738 -45.820 17.496 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -0.231 -46.698 18.621 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -0.486 -43.012 15.195 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 0.460 -43.156 15.176 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.599 -42.228 15.732 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 8.690 -42.772 19.753 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 8.777 -41.946 20.228 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 7.826 -43.102 20.002 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 9.104 -39.000 9.559 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 9.029 -39.121 8.613 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 9.137 -38.050 9.678 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 11.875 -39.920 9.311 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 10.940 -39.820 9.490 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 12.155 -40.629 9.889 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 14.863 -50.853 21.357 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 14.456 -50.372 20.637 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 14.904 -51.758 21.050 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 2.012 -44.469 19.354 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 2.229 -44.830 20.214 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 1.157 -44.843 19.144 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 9.357 -50.221 21.662 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 8.794 -50.925 21.982 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 10.183 -50.341 22.129 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 10.523 -49.312 17.659 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 10.847 -49.943 17.016 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 10.083 -49.847 18.320 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 2.591 -46.004 21.592 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 3.324 -45.750 22.153 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 1.811 -45.800 22.107 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 14.941 -46.863 17.215 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 15.583 -46.406 16.672 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 14.111 -46.750 16.753 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 9.311 -45.812 19.666 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 8.965 -46.193 20.472 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 9.111 -44.878 19.737 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 15.588 -42.319 8.448 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 15.215 -43.145 8.758 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 15.865 -42.502 7.551 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 12.748 -47.511 15.470 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 11.820 -47.743 15.443 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 13.199 -48.288 15.140 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 5.291 -43.183 11.603 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 5.818 -42.410 11.402 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 4.411 -42.958 11.301 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 5.402 -40.498 10.724 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 4.452 -40.393 10.776 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 5.753 -39.678 11.069 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 10.777 -45.272 17.195 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 10.351 -45.499 18.021 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 11.358 -46.010 17.012 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 1.209 -41.682 17.506 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 1.426 -42.614 17.475 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 1.456 -41.408 18.390 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 6.084 -40.920 7.903 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 6.245 -40.120 7.402 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 5.887 -40.613 8.788 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 1.131 -42.408 10.529 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 0.299 -41.935 10.556 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 1.677 -41.898 9.930 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 0.327 -45.985 22.813 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 0.471 -46.887 22.527 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.446 -45.699 22.325 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 6.982 -46.015 22.246 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 6.654 -45.744 21.388 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 7.134 -46.956 22.158 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 10.126 -47.305 22.885 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 11.079 -47.221 22.857 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 9.966 -48.016 23.504 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 11.856 -50.797 23.450 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 12.048 -51.728 23.339 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 12.713 -50.372 23.440 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 13.172 -48.008 21.528 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 12.891 -47.299 20.950 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 14.115 -48.081 21.377 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -0.997 -38.706 11.075 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -1.644 -39.168 10.542 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -0.642 -39.378 11.658 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 16.890 -45.364 15.706 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 17.724 -45.742 15.425 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 17.002 -44.421 15.587 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 15.774 -47.658 20.960 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 16.357 -48.392 21.151 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 16.338 -46.886 21.006 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 17.271 -49.755 21.644 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 16.408 -50.134 21.479 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 17.875 -50.494 21.570 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 14.160 -39.726 11.432 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 14.813 -40.073 10.824 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 14.671 -39.237 12.078 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 1.545 -42.797 21.975 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 0.724 -42.622 21.515 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 1.293 -42.870 22.896 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 0.567 -40.719 8.363 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -0.118 -40.757 7.695 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 0.570 -39.806 8.651 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 16.140 -39.946 9.440 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 15.946 -40.694 8.875 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 16.101 -39.188 8.856 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 9.841 -48.054 33.895 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 9.803 -48.700 34.600 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 9.518 -48.520 33.124 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 2.209 -48.439 35.488 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 2.251 -49.065 36.212 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 2.912 -47.816 35.670 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 0.453 -48.167 31.542 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 0.667 -48.937 32.069 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 1.191 -48.078 30.939 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 8.230 -45.621 34.301 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 8.534 -46.307 33.707 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 8.952 -45.503 34.919 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 11.371 -51.227 34.629 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 11.514 -52.174 34.649 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 11.265 -51.020 33.700 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 12.248 -52.995 30.302 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 12.894 -53.324 30.927 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 12.758 -52.477 29.679 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 1.146 -50.729 32.663 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 1.800 -51.279 33.095 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 1.170 -51.003 31.747 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 6.302 -49.179 31.879 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 6.918 -49.705 32.388 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 5.716 -49.819 31.475 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 5.905 -46.532 36.263 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 5.165 -45.934 36.366 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 6.619 -45.978 35.947 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 4.313 -44.568 37.050 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 4.307 -43.689 36.672 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 3.459 -44.651 37.475 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 9.683 -49.607 24.967 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 10.384 -49.585 25.618 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 9.985 -50.235 24.311 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 16.998 -48.687 36.222 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 16.346 -47.992 36.311 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 17.463 -48.477 35.412 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 12.932 -49.681 37.948 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 13.012 -48.918 38.520 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 12.331 -49.402 37.257 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 4.680 -47.225 30.763 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 4.350 -47.595 29.944 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 5.268 -47.895 31.109 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 5.047 -48.456 34.396 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 5.612 -48.335 33.633 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.366 -47.819 35.035 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 5.927 -44.057 39.113 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.615 -43.275 39.569 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 5.277 -44.210 38.427 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 2.847 -47.859 38.342 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 2.917 -47.208 39.040 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 1.956 -47.756 38.007 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 4.166 -41.985 39.877 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 4.174 -42.121 38.929 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 3.250 -42.103 40.129 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 3.670 -48.155 28.352 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 3.378 -47.387 27.861 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 2.996 -48.815 28.189 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 -0.237 -45.792 37.167 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 -0.738 -45.820 36.352 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 -0.231 -46.698 37.477 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 14.863 -50.853 40.213 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 14.456 -50.372 39.493 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 14.904 -51.758 39.906 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 2.012 -44.469 38.210 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 2.229 -44.830 39.070 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 1.157 -44.843 38.000 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 13.383 -47.660 24.195 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 13.425 -47.883 23.265 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 14.232 -47.262 24.385 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 4.719 -50.812 30.213 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 3.826 -51.153 30.154 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 5.170 -51.189 29.457 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 10.255 -50.396 29.030 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 9.846 -49.581 28.738 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 10.975 -50.536 28.415 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 11.259 -50.950 31.844 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 11.064 -50.345 31.129 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 11.441 -51.784 31.409 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 10.523 -49.312 36.515 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 10.847 -49.943 35.872 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 10.083 -49.847 37.176 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 2.591 -46.004 40.448 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 3.324 -45.750 41.009 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 1.811 -45.800 40.963 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 8.621 -50.597 33.186 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 9.185 -51.144 32.639 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 8.473 -51.119 33.975 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 7.791 -45.996 27.285 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 7.047 -46.503 26.962 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 7.657 -45.947 28.231 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 11.689 -53.182 25.484 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 10.751 -53.070 25.333 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 11.986 -52.325 25.790 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 9.311 -45.812 38.522 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 8.965 -46.193 39.328 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 9.111 -44.878 38.593 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 12.407 -51.315 27.145 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 13.299 -51.452 27.464 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 12.464 -50.524 26.608 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 -0.076 -48.240 38.369 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 0.147 -48.658 39.201 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 -0.678 -48.853 37.947 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 17.292 -51.105 26.839 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 16.738 -51.501 26.167 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 17.393 -50.195 26.562 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 1.046 -48.321 25.046 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 1.662 -47.694 25.425 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 0.184 -48.005 25.317 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 6.718 -45.520 30.035 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 6.477 -44.595 30.077 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 5.978 -45.979 30.431 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 10.777 -45.272 36.051 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 10.351 -45.499 36.877 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 11.358 -46.010 35.868 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 7.071 -43.231 23.572 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 7.310 -43.979 23.024 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 6.802 -43.619 24.404 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 6.008 -43.661 26.028 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 6.155 -44.181 26.818 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 6.005 -42.754 26.334 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 2.461 -46.408 26.538 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 1.775 -46.056 27.105 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 2.984 -45.645 26.292 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 8.277 -52.366 28.749 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 9.089 -51.862 28.795 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 8.032 -52.511 29.663 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 13.619 -49.722 32.865 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.822 -50.137 32.536 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 14.064 -50.413 33.356 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 3.077 -43.794 25.435 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 3.669 -43.095 25.711 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 3.536 -44.227 24.716 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 0.327 -45.985 41.669 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 0.471 -46.887 41.383 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 -0.446 -45.699 41.181 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 4.668 -45.641 23.801 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 4.732 -46.435 24.332 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 5.321 -45.760 23.112 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 6.982 -46.015 41.102 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 6.654 -45.744 40.244 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 7.134 -46.956 41.014 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 5.817 -47.669 26.107 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 5.358 -48.153 26.793 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 6.072 -48.337 25.471 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 6.888 -49.426 24.370 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 6.708 -49.580 23.442 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 7.839 -49.318 24.414 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 10.126 -47.305 41.741 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 11.079 -47.221 41.713 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 9.966 -48.016 42.360 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 13.172 -48.008 40.384 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 12.891 -47.299 39.806 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 14.115 -48.081 40.233 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 0.354 -44.099 24.854 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 1.268 -44.020 25.127 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 0.361 -44.786 24.187 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 15.436 -44.459 42.276 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 14.570 -44.564 42.670 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 15.812 -43.700 42.723 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 17.131 -48.149 29.614 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 16.405 -48.628 30.012 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 17.712 -47.943 30.346 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.399 -48.248 26.005 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 16.878 -47.891 25.286 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 17.366 -47.573 26.683 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 15.748 -51.008 24.556 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 15.845 -50.341 23.876 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 15.608 -51.824 24.074 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 14.918 -49.628 30.177 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 14.768 -50.573 30.157 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 14.564 -49.347 31.021 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -0.047 -47.550 34.187 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 0.137 -47.632 33.252 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 0.802 -47.674 34.611 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 15.774 -47.658 39.816 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 16.357 -48.392 40.007 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 16.338 -46.886 39.862 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 17.271 -49.755 40.500 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 16.408 -50.134 40.335 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 17.875 -50.494 40.426 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 14.628 -52.045 28.639 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 14.908 -52.952 28.764 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 15.387 -51.611 28.250 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 15.240 -51.464 34.075 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 16.173 -51.252 34.041 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 15.005 -51.362 34.998 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 15.269 -50.727 36.851 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 14.426 -50.459 37.217 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 15.712 -49.905 36.640 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 4.499 -41.822 37.090 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 4.074 -41.013 36.807 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 5.404 -41.737 36.788 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 9.632 -41.956 48.856 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 10.106 -41.661 49.634 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 9.069 -41.218 48.623 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 9.104 -39.000 47.271 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 9.029 -39.121 46.325 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 9.137 -38.050 47.390 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 2.758 -40.211 49.052 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 2.910 -40.559 49.931 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 1.907 -40.567 48.797 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 11.875 -39.920 47.023 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 10.940 -39.820 47.202 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 12.155 -40.629 47.601 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 13.383 -47.660 43.051 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 13.425 -47.883 42.121 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 14.232 -47.262 43.241 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 9.917 -44.537 45.166 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 9.622 -43.711 45.548 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 9.214 -45.157 45.362 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 15.588 -42.319 46.160 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 15.215 -43.145 46.470 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 15.865 -42.502 45.263 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 5.402 -40.498 48.436 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 4.452 -40.393 48.488 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 5.753 -39.678 48.781 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 12.980 -44.343 43.981 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 13.333 -44.723 44.785 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 12.031 -44.436 44.067 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 7.071 -43.231 42.428 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 7.310 -43.979 41.880 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 6.802 -43.619 43.260 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 6.008 -43.661 44.884 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 6.155 -44.181 45.674 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 6.005 -42.754 45.190 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 8.746 -41.963 45.633 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 7.929 -41.466 45.686 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 9.275 -41.488 44.993 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 6.084 -40.920 45.615 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 6.245 -40.120 45.114 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 5.887 -40.613 46.500 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 3.077 -43.794 44.291 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 3.669 -43.095 44.567 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.536 -44.227 43.572 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 4.668 -45.641 42.657 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 4.732 -46.435 43.188 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 5.321 -45.760 41.968 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 10.020 -44.594 42.393 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 9.752 -44.414 43.294 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 9.814 -45.520 42.262 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 16.278 -47.071 42.671 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 16.005 -47.496 41.858 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 16.318 -46.140 42.454 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 0.354 -44.099 43.710 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 1.268 -44.020 43.983 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 0.361 -44.786 43.043 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 16.737 -46.202 46.646 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 17.587 -45.781 46.774 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 16.742 -46.942 47.254 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 14.160 -39.726 49.144 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 14.813 -40.073 48.536 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 14.671 -39.237 49.790 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 0.567 -40.719 46.075 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 -0.118 -40.757 45.407 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 0.570 -39.806 46.363 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 9.431 -39.509 44.472 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 10.297 -39.143 44.294 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 9.184 -39.949 43.659 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 16.140 -39.946 47.152 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 15.946 -40.694 46.587 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 16.101 -39.188 46.568 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 13.547 -26.259 -5.515 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 13.106 -26.979 -5.065 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 13.534 -25.538 -4.885 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 3.133 -25.133 -3.689 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 2.763 -25.935 -4.058 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 4.074 -25.302 -3.642 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 8.230 -26.765 -3.411 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 8.534 -27.451 -4.005 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 8.952 -26.647 -2.793 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 10.705 -25.852 -8.193 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 10.409 -26.174 -9.044 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 10.381 -24.952 -8.151 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 5.905 -27.676 -1.449 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 5.165 -27.078 -1.346 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 6.619 -27.122 -1.765 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 4.313 -25.712 -0.662 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 4.307 -24.833 -1.040 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 3.459 -25.795 -0.237 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 14.059 -24.419 -3.167 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 13.117 -24.361 -3.006 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 14.335 -23.513 -3.304 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 12.311 -22.638 -6.542 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 12.736 -23.345 -7.027 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 12.628 -21.837 -6.959 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 15.156 -26.171 0.444 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 15.296 -26.762 -0.295 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 15.324 -25.298 0.088 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 6.047 -24.941 -4.268 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 5.952 -25.519 -5.025 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 6.776 -25.312 -3.772 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 11.356 -24.097 -2.582 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 11.115 -23.435 -1.934 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 11.158 -24.931 -2.157 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 5.927 -25.201 1.401 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 5.615 -24.419 1.857 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 5.277 -25.354 0.715 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 9.632 -23.100 -7.712 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 10.106 -22.805 -6.934 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 9.069 -22.362 -7.945 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 4.166 -23.129 2.165 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 4.174 -23.265 1.217 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 3.250 -23.247 2.417 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 17.711 -23.490 2.021 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 17.662 -24.445 1.984 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 16.885 -23.222 2.423 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 8.690 -23.916 0.897 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 8.777 -23.090 1.372 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 7.826 -24.246 1.146 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 9.104 -20.144 -9.297 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 9.029 -20.265 -10.243 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 9.137 -19.194 -9.178 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 2.758 -21.355 -7.516 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 2.910 -21.703 -6.637 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 1.907 -21.711 -7.771 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 11.875 -21.064 -9.545 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 10.940 -20.964 -9.366 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 12.155 -21.773 -8.967 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 9.311 -26.956 0.810 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 8.965 -27.337 1.616 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 9.111 -26.022 0.881 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 11.561 -24.494 0.760 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 10.660 -24.311 0.492 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 11.595 -24.235 1.681 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 17.256 -26.449 1.964 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 16.404 -26.211 1.597 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 17.846 -26.466 1.211 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 5.291 -24.327 -7.253 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 5.818 -23.554 -7.454 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 4.411 -24.102 -7.555 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 6.718 -26.664 -7.677 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 6.477 -25.739 -7.635 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 5.978 -27.123 -7.281 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 5.402 -21.642 -8.132 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 4.452 -21.537 -8.080 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 5.753 -20.822 -7.787 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 10.777 -26.416 -1.661 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 10.351 -26.643 -0.835 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 11.358 -27.154 -1.844 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 1.209 -22.826 -1.350 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 1.426 -23.758 -1.381 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 1.456 -22.552 -0.466 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 14.706 -21.610 -3.225 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 14.550 -20.932 -3.882 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 15.638 -21.538 -3.022 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 5.017 -22.020 4.623 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 5.785 -22.479 4.964 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 4.996 -22.246 3.693 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 0.327 -27.129 3.957 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 0.471 -28.031 3.671 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 -0.446 -26.843 3.469 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 6.982 -27.159 3.390 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 6.654 -26.888 2.532 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 7.134 -28.100 3.302 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 12.717 -27.243 0.773 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.462 -26.655 0.653 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 11.960 -26.661 0.836 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 10.126 -28.449 4.029 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 11.079 -28.365 4.001 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 9.966 -29.160 4.648 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 13.172 -29.152 2.672 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 12.891 -28.443 2.094 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 14.115 -29.225 2.521 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 17.422 -20.960 -2.996 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 17.400 -20.775 -2.057 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 18.112 -20.391 -3.337 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 15.436 -25.603 4.564 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 14.570 -25.708 4.958 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 15.812 -24.844 5.011 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 15.377 -23.630 -0.843 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 14.729 -23.305 -0.218 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 14.859 -24.070 -1.518 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 14.160 -20.870 -7.424 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 14.813 -21.217 -8.032 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 14.671 -20.381 -6.778 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 4.499 -22.966 -0.622 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 4.074 -22.157 -0.905 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 5.404 -22.881 -0.924 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 1.901 -19.710 -0.575 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 1.181 -19.270 -1.026 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 1.535 -19.961 0.274 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 1.316 -21.087 -3.664 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 1.297 -21.512 -2.807 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 2.121 -21.405 -4.073 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 3.457 -22.377 -5.009 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 3.238 -23.293 -4.840 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 4.281 -22.237 -4.543 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 10.908 -28.453 11.620 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 10.997 -27.509 11.488 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 10.269 -28.728 10.962 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 -0.257 -31.473 10.560 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 -0.705 -30.627 10.542 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 -0.818 -32.053 10.045 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 12.248 -34.139 11.446 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 12.894 -34.468 12.071 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 12.758 -33.621 10.823 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 9.629 -29.209 9.072 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 8.917 -28.674 8.721 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.320 -29.153 8.412 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 9.683 -30.751 6.111 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 10.384 -30.729 6.762 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 9.985 -31.379 5.455 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 13.035 -28.999 10.024 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 12.303 -28.771 10.597 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 13.482 -29.713 10.479 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 11.906 -29.837 7.709 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 12.485 -29.687 8.456 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 12.320 -29.366 6.986 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 15.604 -38.087 7.522 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 14.705 -37.948 7.817 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 15.856 -37.256 7.120 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 16.794 -23.721 5.899 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 16.867 -22.782 6.069 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 17.699 -24.026 5.842 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 2.758 -21.355 11.340 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 2.910 -21.703 12.219 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 1.907 -21.711 11.085 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 13.383 -28.804 5.339 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 13.425 -29.027 4.409 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 14.232 -28.406 5.529 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 4.719 -31.956 11.357 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 3.826 -32.297 11.298 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 5.170 -32.333 10.601 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 10.255 -31.540 10.174 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 9.846 -30.725 9.882 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 10.975 -31.680 9.559 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 -0.920 -34.741 12.162 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 -0.289 -34.770 12.882 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 -0.470 -35.166 11.432 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 0.355 -33.995 7.586 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 0.829 -33.404 7.001 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 -0.363 -33.464 7.933 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.129 -32.900 11.270 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 1.240 -32.800 10.930 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 2.425 -33.742 10.924 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 5.782 -32.900 8.926 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 6.714 -32.771 9.104 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 5.567 -32.230 8.277 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 4.456 -31.705 6.493 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 3.914 -32.085 5.802 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 5.290 -31.511 6.064 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 7.791 -27.140 8.429 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 7.047 -27.647 8.106 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 7.657 -27.091 9.375 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 12.407 -32.459 8.289 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 13.299 -32.596 8.608 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 12.464 -31.668 7.752 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 17.292 -32.249 7.983 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 16.738 -32.645 7.311 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 17.393 -31.339 7.706 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 1.046 -29.465 6.190 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 1.662 -28.838 6.569 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 0.184 -29.149 6.461 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 13.846 -26.814 8.495 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 13.569 -27.542 9.051 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 14.773 -26.695 8.701 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 7.071 -24.375 4.716 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 7.310 -25.123 4.168 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 6.802 -24.763 5.548 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 11.077 -35.238 9.058 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 11.297 -34.766 8.255 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 11.635 -34.843 9.729 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 8.277 -33.510 9.893 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 9.089 -33.006 9.939 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 8.032 -33.655 10.807 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 9.161 -36.429 10.831 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 8.814 -35.811 11.476 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 9.819 -35.928 10.350 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 4.818 -35.366 7.519 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 4.735 -34.477 7.865 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 5.708 -35.631 7.750 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 3.077 -24.938 6.579 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 3.669 -24.239 6.855 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 3.536 -25.371 5.860 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 1.393 -32.274 5.695 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 1.348 -31.335 5.874 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 0.505 -32.510 5.425 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 1.131 -23.552 10.529 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 0.299 -23.079 10.556 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 1.677 -23.042 9.930 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 4.668 -26.785 4.945 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 4.732 -27.579 5.476 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 5.321 -26.904 4.256 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 5.817 -28.813 7.251 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 5.358 -29.297 7.937 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 6.072 -29.481 6.615 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 6.888 -30.570 5.514 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 6.708 -30.724 4.586 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 7.839 -30.462 5.558 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 16.278 -28.215 4.959 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 16.005 -28.640 4.146 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 16.318 -27.284 4.742 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 0.354 -25.243 5.998 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 1.268 -25.164 6.271 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 0.361 -25.930 5.331 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 -0.997 -19.850 11.075 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 -1.644 -20.312 10.542 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 -0.642 -20.522 11.658 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 -0.127 -21.769 12.880 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 -0.461 -22.650 13.052 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 0.095 -21.424 13.744 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 16.737 -27.346 8.934 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 17.587 -26.925 9.062 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 16.742 -28.086 9.542 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 17.131 -29.293 10.758 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 16.405 -29.772 11.156 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 17.712 -29.087 11.490 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 17.399 -29.392 7.149 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 16.878 -29.035 6.430 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 17.366 -28.717 7.827 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 14.628 -33.189 9.783 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 14.908 -34.096 9.908 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 15.387 -32.755 9.394 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 17.108 -35.859 6.360 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 17.521 -36.580 5.884 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 17.790 -35.189 6.418 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 -0.611 -35.854 9.487 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 -1.536 -35.645 9.357 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 -0.157 -35.370 8.797 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 9.503 -36.243 13.840 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 8.828 -36.872 14.095 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 10.067 -36.727 13.237 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 0.666 -37.811 7.465 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 1.105 -37.200 6.874 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 0.032 -37.273 7.939 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 6.409 -37.682 11.475 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 7.283 -37.294 11.445 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 6.273 -37.897 12.398 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 13.319 -37.626 8.817 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 12.616 -37.012 8.607 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 12.874 -38.464 8.948 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 0.567 -21.863 8.363 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 -0.118 -21.901 7.695 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 0.570 -20.950 8.651 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 7.553 -35.602 8.365 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 7.731 -36.248 9.048 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 7.499 -34.768 8.832 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 2.385 -20.943 5.388 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 2.117 -20.656 6.261 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 3.156 -21.489 5.540 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 15.156 -26.171 38.156 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 15.296 -26.762 37.417 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 15.324 -25.298 37.800 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 2.847 -29.003 38.342 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 2.917 -28.352 39.040 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 1.956 -28.900 38.007 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 4.166 -23.129 39.877 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 4.174 -23.265 38.929 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 3.250 -23.247 40.129 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 17.711 -23.490 39.733 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 17.662 -24.445 39.696 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 16.885 -23.222 40.135 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 2.012 -25.613 38.210 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 2.229 -25.974 39.070 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 1.157 -25.987 38.000 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 14.993 -19.622 40.840 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 15.193 -19.198 40.005 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 15.649 -19.279 41.447 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 2.591 -27.148 40.448 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 3.324 -26.894 41.009 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 1.811 -26.944 40.963 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 17.256 -26.449 39.676 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 16.404 -26.211 39.309 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 17.846 -26.466 38.923 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 13.436 -21.864 38.520 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 12.834 -22.419 38.025 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 13.717 -21.197 37.894 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 1.209 -22.826 36.362 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 1.426 -23.758 36.331 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 1.456 -22.552 37.246 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 5.017 -22.020 42.335 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 5.785 -22.479 42.676 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 4.996 -22.246 41.405 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 11.594 -23.640 41.064 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 11.243 -24.496 41.307 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 12.320 -23.497 41.671 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 0.327 -27.129 41.669 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 0.471 -28.031 41.383 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 -0.446 -26.843 41.181 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.159 -29.929 41.089 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 1.567 -30.786 40.968 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 0.899 -29.914 42.010 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 3.924 -32.367 41.457 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.157 -32.899 41.247 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 4.603 -32.677 40.858 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 15.436 -25.603 42.276 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 14.570 -25.708 42.670 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 15.812 -24.844 42.723 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 15.377 -23.630 36.869 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 14.729 -23.305 37.494 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 14.859 -24.070 36.194 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 1.545 -23.941 40.831 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 0.724 -23.766 40.371 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 1.293 -24.014 41.752 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 8.810 -21.567 40.049 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 8.995 -21.901 40.927 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 9.657 -21.258 39.727 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.155 -20.282 39.293 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 11.832 -20.914 39.053 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 11.477 -19.880 40.101 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 1.901 -19.710 37.137 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 1.181 -19.270 36.686 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 1.535 -19.961 37.986 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 11.406 -21.344 36.288 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 10.502 -21.179 36.022 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 11.835 -20.491 36.222 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 15.358 -22.339 40.446 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 14.576 -22.525 39.926 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 15.286 -21.410 40.663 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 10.908 -28.453 49.332 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 10.997 -27.509 49.200 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 10.269 -28.728 48.674 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 13.547 -26.259 51.053 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 13.106 -26.979 51.503 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 13.534 -25.538 51.683 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 4.526 -34.270 50.757 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.569 -33.410 50.339 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 4.068 -34.822 50.124 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 12.248 -34.139 49.158 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 12.894 -34.468 49.783 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 12.758 -33.621 48.535 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 10.705 -25.852 48.375 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 10.409 -26.174 47.524 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 10.381 -24.952 48.417 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 14.012 -34.848 51.139 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 13.797 -35.614 51.671 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 14.668 -34.376 51.652 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 12.311 -22.638 50.026 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 12.736 -23.345 49.541 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 12.628 -21.837 49.609 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 13.470 -24.737 48.535 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 13.213 -25.427 47.923 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 13.541 -25.180 49.380 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 9.629 -29.209 46.784 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 8.917 -28.674 46.433 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 10.320 -29.153 46.124 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 9.632 -23.100 48.856 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 10.106 -22.805 49.634 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 9.069 -22.362 48.623 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 16.794 -23.721 43.611 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 16.867 -22.782 43.781 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 17.699 -24.026 43.554 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 12.206 -20.990 44.274 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 12.581 -21.734 43.803 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 12.210 -21.260 45.192 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 4.719 -31.956 49.069 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 3.826 -32.297 49.010 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 5.170 -32.333 48.313 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 10.255 -31.540 47.886 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 9.846 -30.725 47.594 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 10.975 -31.680 47.271 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 11.259 -32.094 50.700 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 11.064 -31.489 49.985 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 11.441 -32.928 50.265 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 0.355 -33.995 45.298 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 0.829 -33.404 44.713 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 -0.363 -33.464 45.645 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 7.301 -34.529 50.155 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 6.390 -34.472 50.444 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 7.806 -34.589 50.966 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 2.129 -32.900 48.982 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 1.240 -32.800 48.642 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 2.425 -33.742 48.636 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 5.782 -32.900 46.638 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 6.714 -32.771 46.816 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 5.567 -32.230 45.989 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 4.456 -31.705 44.205 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 3.914 -32.085 43.514 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 5.290 -31.511 43.776 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 3.623 -35.605 48.460 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 3.306 -36.507 48.425 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 4.404 -35.603 47.908 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 7.791 -27.140 46.141 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 7.047 -27.647 45.818 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 7.657 -27.091 47.087 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 9.917 -25.681 45.166 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 9.622 -24.855 45.548 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 9.214 -26.301 45.362 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 15.588 -23.463 46.160 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 15.215 -24.289 46.470 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 15.865 -23.646 45.263 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 7.071 -24.375 42.428 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 7.310 -25.123 41.880 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 6.802 -24.763 43.260 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 6.008 -24.805 44.884 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 6.155 -25.325 45.674 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 6.005 -23.898 45.190 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 11.077 -35.238 46.770 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 11.297 -34.766 45.967 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 11.635 -34.843 47.441 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 8.746 -23.107 45.633 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 7.929 -22.610 45.686 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 9.275 -22.632 44.993 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 8.277 -33.510 47.605 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 9.089 -33.006 47.651 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 8.032 -33.655 48.519 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 9.161 -36.429 48.543 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 8.814 -35.811 49.188 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 9.819 -35.928 48.062 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 13.619 -30.866 51.721 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 12.822 -31.281 51.392 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 14.064 -31.557 52.212 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 3.077 -24.938 44.291 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 3.669 -24.239 44.567 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 3.536 -25.371 43.572 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 1.393 -32.274 43.407 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 1.348 -31.335 43.586 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 0.505 -32.510 43.137 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 9.109 -22.512 42.566 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.465 -23.143 42.888 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 9.871 -23.043 42.334 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 13.713 -22.695 42.800 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 13.996 -23.489 43.253 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 14.453 -22.462 42.239 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 4.668 -26.785 42.657 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 4.732 -27.579 43.188 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 5.321 -26.904 41.968 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 10.020 -25.738 42.393 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 9.752 -25.558 43.294 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 9.814 -26.664 42.262 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 5.817 -28.813 44.963 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 5.358 -29.297 45.649 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 6.072 -29.481 44.327 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 17.131 -29.293 48.470 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 16.405 -29.772 48.868 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 17.712 -29.087 49.202 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 15.240 -32.608 52.931 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 16.173 -32.396 52.897 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 15.005 -32.506 53.854 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 15.242 -35.926 47.544 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 15.424 -36.375 48.369 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 14.642 -36.511 47.080 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 -0.611 -35.854 47.199 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 -1.536 -35.645 47.069 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 -0.157 -35.370 46.509 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 16.372 -36.997 49.998 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 16.984 -37.511 49.471 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 16.755 -36.119 50.021 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 1.829 -37.609 49.374 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 1.052 -37.843 48.866 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 2.360 -38.406 49.382 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 0.666 -37.811 45.177 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 1.105 -37.200 44.586 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 0.032 -37.273 45.651 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 6.409 -37.682 49.187 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 7.283 -37.294 49.157 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 6.273 -37.897 50.110 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 13.319 -37.626 46.529 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.616 -37.012 46.319 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.874 -38.464 46.660 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 9.431 -20.653 44.472 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 10.297 -20.287 44.294 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 9.184 -21.093 43.659 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 10.908 -9.597 -7.236 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 10.997 -8.653 -7.368 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 10.269 -9.872 -7.894 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 2.209 -10.727 -2.224 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 2.251 -11.353 -1.500 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 2.912 -10.104 -2.042 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 13.547 -7.403 -5.515 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 13.106 -8.123 -5.065 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 13.534 -6.682 -4.885 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 10.658 -2.298 -5.303 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 11.278 -2.975 -5.576 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 10.450 -2.516 -4.395 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 8.230 -7.909 -3.411 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 8.534 -8.595 -4.005 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 8.952 -7.791 -2.793 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 16.893 -16.308 -2.550 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 16.942 -15.698 -1.814 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 17.319 -15.847 -3.273 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 4.526 -15.414 -5.811 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 4.569 -14.554 -6.229 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 4.068 -15.966 -6.444 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.248 -15.283 -7.410 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 12.894 -15.612 -6.785 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 12.758 -14.765 -8.033 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 6.302 -11.467 -5.833 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 6.918 -11.993 -5.324 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 5.716 -12.107 -6.237 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 3.336 -16.496 -1.737 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 3.117 -15.966 -2.503 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 2.668 -16.269 -1.089 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 2.930 -14.604 -3.784 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 3.543 -13.971 -3.411 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 3.442 -15.076 -4.441 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 4.313 -6.856 -0.662 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 4.307 -5.977 -1.040 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 3.459 -6.939 -0.237 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 12.311 -3.782 -6.542 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 12.736 -4.489 -7.027 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 12.628 -2.981 -6.959 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 13.035 -10.143 -8.832 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 12.303 -9.915 -8.259 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 13.482 -10.857 -8.377 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 6.047 -6.085 -4.268 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 5.952 -6.663 -5.025 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 6.776 -6.456 -3.772 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 5.047 -10.744 -3.316 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 5.612 -10.623 -4.079 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 5.366 -10.107 -2.677 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 5.927 -6.345 1.401 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 5.615 -5.563 1.857 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 5.277 -6.498 0.715 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 2.847 -10.147 0.630 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 2.917 -9.496 1.328 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 1.956 -10.044 0.295 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 4.166 -4.273 2.165 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 4.174 -4.409 1.217 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 3.250 -4.391 2.417 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 2.012 -6.757 0.498 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 2.229 -7.118 1.358 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 1.157 -7.131 0.288 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 4.722 -13.321 -2.411 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 4.080 -13.362 -1.702 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 4.759 -12.395 -2.649 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 10.255 -12.684 -8.682 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 9.846 -11.869 -8.974 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 10.975 -12.824 -9.297 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 2.472 -13.001 -0.544 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 2.434 -12.601 0.324 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 1.981 -13.818 -0.454 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 7.301 -15.673 -6.413 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 6.390 -15.616 -6.124 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 7.806 -15.733 -5.602 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 2.591 -8.292 2.736 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 3.324 -8.038 3.297 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 1.811 -8.088 3.251 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 8.621 -12.885 -4.526 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 9.185 -13.432 -5.073 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 8.473 -13.407 -3.737 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 3.623 -16.749 -8.108 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 3.306 -17.651 -8.143 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 4.404 -16.747 -8.660 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 12.407 -13.603 -10.567 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 13.299 -13.740 -10.248 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 12.464 -12.812 -11.104 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 2.916 -8.989 -4.658 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 3.661 -8.991 -5.259 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 2.994 -9.813 -4.176 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 7.233 -3.659 -1.362 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 7.596 -2.804 -1.595 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 7.765 -3.951 -0.621 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 1.558 -15.775 0.215 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 0.665 -15.436 0.148 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 1.459 -16.630 0.633 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 11.077 -16.382 -9.798 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 11.297 -15.910 -10.601 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 11.635 -15.987 -9.127 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 8.277 -14.654 -8.963 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 9.089 -14.150 -8.917 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 8.032 -14.799 -8.049 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 9.161 -17.573 -8.025 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 8.814 -16.955 -7.380 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 9.819 -17.072 -8.506 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 14.706 -2.754 -3.225 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 14.550 -2.076 -3.882 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 15.638 -2.682 -3.022 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 2.201 -18.636 -4.488 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 1.972 -18.577 -5.415 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 1.758 -19.428 -4.181 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 5.017 -3.164 4.623 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 5.785 -3.623 4.964 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 4.996 -3.390 3.693 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 1.159 -11.073 3.377 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 1.567 -11.930 3.256 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 0.899 -11.058 4.298 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 5.446 -14.709 1.834 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 5.596 -15.438 1.231 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 5.448 -13.932 1.275 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 3.924 -13.511 3.745 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 3.157 -14.043 3.535 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 4.603 -13.821 3.146 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 2.105 -15.590 3.450 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 2.316 -16.297 2.839 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 1.993 -16.028 4.294 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 6.886 -19.589 2.429 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 7.598 -20.229 2.415 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 6.785 -19.322 1.515 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 17.422 -2.104 -2.996 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 17.400 -1.919 -2.057 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 18.112 -1.535 -3.337 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 16.737 -8.490 -9.922 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 17.587 -8.069 -9.794 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 16.742 -9.230 -9.314 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 17.131 -10.437 -8.098 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 16.405 -10.916 -7.700 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 17.712 -10.231 -7.366 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 14.918 -11.916 -7.535 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 14.768 -12.861 -7.555 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 14.564 -11.635 -6.691 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 14.628 -14.333 -9.073 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 14.908 -15.240 -8.948 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 15.387 -13.899 -9.462 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 15.242 -17.070 -9.024 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 15.424 -17.519 -8.199 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 14.642 -17.655 -9.488 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 0.772 -16.255 -4.493 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 1.217 -17.047 -4.191 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 1.238 -15.539 -4.062 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 4.499 -4.110 -0.622 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 4.074 -3.301 -0.905 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 5.404 -4.025 -0.924 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 8.810 -2.711 2.337 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 8.995 -3.045 3.215 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 9.657 -2.402 2.015 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 11.155 -1.426 1.581 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 11.832 -2.058 1.341 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 11.477 -1.024 2.389 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 9.079 -1.366 -2.369 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 8.622 -0.837 -3.023 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 9.242 -0.763 -1.644 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.645 -19.280 -4.904 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 15.249 -18.732 -5.405 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 13.776 -18.960 -5.144 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 16.372 -18.141 -6.570 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 16.984 -18.655 -7.097 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 16.755 -17.263 -6.547 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 1.829 -18.753 -7.194 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 1.052 -18.987 -7.702 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 2.360 -19.550 -7.186 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 6.409 -18.826 -7.381 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 7.283 -18.438 -7.411 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 6.273 -19.041 -6.458 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 11.966 -18.796 -5.732 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 12.042 -18.701 -6.681 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 11.690 -19.704 -5.603 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 1.787 -18.239 2.323 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 1.421 -19.004 2.766 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 2.700 -18.210 2.610 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 3.760 -18.888 3.859 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 4.659 -19.162 3.674 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 3.374 -19.631 4.323 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 10.908 -9.597 11.620 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 10.997 -8.653 11.488 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 10.269 -9.872 10.962 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 13.547 -7.403 13.341 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 13.106 -8.123 13.791 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 13.534 -6.682 13.971 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 10.658 -2.298 13.553 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 11.278 -2.975 13.280 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 10.450 -2.516 14.461 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 11.371 -13.515 15.773 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 11.514 -14.462 15.793 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 11.265 -13.308 14.844 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 4.526 -15.414 13.045 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 4.569 -14.554 12.627 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 4.068 -15.966 12.412 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 6.302 -11.467 13.023 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 6.918 -11.993 13.532 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.716 -12.107 12.619 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 3.336 -16.496 17.119 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 3.117 -15.966 16.353 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 2.668 -16.269 17.767 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 10.705 -6.996 10.663 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 10.409 -7.318 9.812 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 10.381 -6.096 10.705 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 2.930 -14.604 15.072 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 3.543 -13.971 15.445 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 3.442 -15.076 14.415 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 14.059 -5.563 15.689 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 13.117 -5.505 15.850 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 14.335 -4.657 15.552 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 15.156 -7.315 19.300 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 15.296 -7.906 18.561 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 15.324 -6.442 18.944 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 9.629 -10.353 9.072 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 8.917 -9.818 8.721 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 10.320 -10.297 8.412 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 16.998 -10.975 17.366 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 16.346 -10.280 17.455 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 17.463 -10.765 16.556 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 12.932 -11.969 19.092 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 13.012 -11.206 19.664 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 12.331 -11.690 18.401 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 11.356 -5.241 16.274 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 11.115 -4.579 16.922 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 11.158 -6.075 16.699 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 2.847 -10.147 19.486 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 2.917 -9.496 20.184 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 1.956 -10.044 19.151 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 9.632 -4.244 11.144 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 10.106 -3.949 11.922 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 9.069 -3.506 10.911 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 17.711 -4.634 20.877 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 17.662 -5.589 20.840 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 16.885 -4.366 21.279 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 9.104 -1.288 9.559 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 9.029 -1.409 8.613 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 9.137 -0.338 9.678 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 14.863 -13.141 21.357 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 14.456 -12.660 20.637 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 14.904 -14.046 21.050 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 4.631 -18.287 15.350 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 3.770 -18.374 14.942 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 4.609 -17.431 15.777 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 4.722 -13.321 16.445 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 4.080 -13.362 17.154 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 4.759 -12.395 16.207 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 4.719 -13.100 11.357 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 3.826 -13.441 11.298 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 5.170 -13.477 10.601 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 11.259 -13.238 12.988 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 11.064 -12.633 12.273 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 11.441 -14.072 12.553 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 2.472 -13.001 18.312 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 2.434 -12.601 19.180 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 1.981 -13.818 18.402 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 5.838 -15.627 5.110 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 5.407 -16.072 5.840 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 5.120 -15.255 4.598 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 -0.920 -15.885 12.162 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 -0.289 -15.914 12.882 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 -0.470 -16.310 11.432 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 10.523 -11.600 17.659 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 10.847 -12.231 17.016 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 10.083 -12.135 18.320 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 7.301 -15.673 12.443 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 6.390 -15.616 12.732 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 7.806 -15.733 13.254 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 5.782 -14.044 8.926 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 6.714 -13.915 9.104 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 5.567 -13.374 8.277 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 4.456 -12.849 6.493 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 3.914 -13.229 5.802 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 5.290 -12.655 6.064 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 2.591 -8.292 21.592 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 3.324 -8.038 22.153 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 1.811 -8.088 22.107 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 8.621 -12.885 14.330 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 9.185 -13.432 13.783 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 8.473 -13.407 15.119 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 3.623 -16.749 10.748 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 3.306 -17.651 10.713 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 4.404 -16.747 10.196 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 7.247 -14.497 16.744 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 6.412 -14.043 16.854 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 7.771 -14.221 17.496 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 7.791 -8.284 8.429 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 7.047 -8.791 8.106 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 7.657 -8.235 9.375 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 14.941 -9.151 17.215 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 15.583 -8.694 16.672 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 14.111 -9.038 16.753 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 9.311 -8.100 19.666 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 8.965 -8.481 20.472 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 9.111 -7.166 19.737 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 6.941 -11.011 21.726 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 6.645 -11.177 20.831 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 7.872 -11.231 21.716 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 17.292 -13.393 7.983 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 16.738 -13.789 7.311 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 17.393 -12.483 7.706 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 17.256 -7.593 20.820 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 16.404 -7.355 20.453 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 17.846 -7.610 20.067 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 12.748 -9.799 15.470 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 11.820 -10.031 15.443 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 13.199 -10.576 15.140 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 6.718 -7.808 11.179 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 6.477 -6.883 11.221 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 5.978 -8.267 11.575 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 17.484 -2.151 6.470 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 18.227 -1.565 6.330 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 16.789 -1.583 6.803 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 1.558 -15.775 19.071 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 0.665 -15.436 19.004 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 1.459 -16.630 19.489 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 7.071 -5.519 4.716 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 7.310 -6.267 4.168 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 6.802 -5.907 5.548 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 6.008 -5.949 7.172 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 6.155 -6.469 7.962 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 6.005 -5.042 7.478 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 8.746 -4.251 7.921 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 7.929 -3.754 7.974 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 9.275 -3.776 7.281 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 6.084 -3.208 7.903 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 6.245 -2.408 7.402 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.887 -2.901 8.788 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 4.818 -16.510 7.519 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 4.735 -15.621 7.865 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 5.708 -16.775 7.750 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 13.619 -12.010 14.009 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 12.822 -12.425 13.680 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 14.064 -12.701 14.500 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 14.706 -2.754 15.631 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 14.550 -2.076 14.974 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 15.638 -2.682 15.834 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 2.201 -18.636 14.368 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 1.972 -18.577 13.441 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 1.758 -19.428 14.675 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 9.109 -3.656 4.854 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 8.465 -4.287 5.176 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 9.871 -4.187 4.622 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 4.668 -7.929 4.945 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 4.732 -8.723 5.476 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 5.321 -8.048 4.256 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 6.982 -8.303 22.246 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 6.654 -8.032 21.388 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 7.134 -9.244 22.158 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 12.717 -8.387 19.629 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 13.462 -7.799 19.509 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 11.960 -7.805 19.692 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 1.159 -11.073 22.233 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 1.567 -11.930 22.112 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 0.899 -11.058 23.154 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 5.817 -9.957 7.251 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 5.358 -10.441 7.937 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 6.072 -10.625 6.615 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 5.106 -12.064 19.607 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 4.488 -11.389 19.888 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 5.450 -11.743 18.774 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 6.888 -11.714 5.514 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.708 -11.868 4.586 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 7.839 -11.606 5.558 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 10.126 -9.593 22.885 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 11.079 -9.509 22.857 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 9.966 -10.304 23.504 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 5.446 -14.709 20.690 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 5.596 -15.438 20.087 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 5.448 -13.932 20.131 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 5.858 -16.339 18.182 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 6.394 -15.888 17.530 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 5.006 -16.447 17.760 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 7.440 -10.900 18.422 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 8.191 -11.056 17.849 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 7.101 -10.048 18.146 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 13.172 -10.296 21.528 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 12.891 -9.587 20.950 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 14.115 -10.369 21.377 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 17.422 -2.104 15.860 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 17.400 -1.919 16.799 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 18.112 -1.535 15.519 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 15.436 -6.747 23.420 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 14.570 -6.852 23.814 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 15.812 -5.988 23.867 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 17.131 -10.437 10.758 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 16.405 -10.916 11.156 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 17.712 -10.231 11.490 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 16.890 -7.652 15.706 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 17.724 -8.030 15.425 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 17.002 -6.709 15.587 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 14.918 -11.916 11.321 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 14.768 -12.861 11.301 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 14.564 -11.635 12.165 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 15.774 -9.946 20.960 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 16.357 -10.680 21.151 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 16.338 -9.174 21.006 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 15.269 -13.015 17.995 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 14.426 -12.747 18.361 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 15.712 -12.193 17.784 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 -0.449 -14.567 21.472 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 0.470 -14.689 21.708 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 -0.899 -15.317 21.861 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 0.772 -16.255 14.363 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 1.217 -17.047 14.665 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 1.238 -15.539 14.794 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 -0.924 -13.256 15.432 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 -0.432 -13.477 14.642 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 -0.562 -12.415 15.713 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 1.829 -18.753 11.662 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 1.052 -18.987 11.154 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 2.360 -19.550 11.670 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 9.431 -1.797 6.760 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 10.297 -1.431 6.582 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 9.184 -2.237 5.947 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 1.787 -18.239 21.179 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 1.421 -19.004 21.622 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 2.700 -18.210 21.466 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 10.908 -9.597 30.476 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 10.997 -8.653 30.344 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 10.269 -9.872 29.818 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 9.841 -10.342 33.895 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 9.803 -10.988 34.600 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 9.518 -10.808 33.124 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 13.547 -7.403 32.197 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 13.106 -8.123 32.647 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 13.534 -6.682 32.827 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 -0.257 -12.617 29.416 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 -0.705 -11.771 29.398 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 -0.818 -13.197 28.901 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 0.453 -10.455 31.542 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 0.667 -11.225 32.069 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 1.191 -10.366 30.939 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 11.371 -13.515 34.629 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 11.514 -14.462 34.649 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 11.265 -13.308 33.700 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 1.146 -13.017 32.663 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 1.800 -13.567 33.095 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 1.170 -13.291 31.747 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 6.302 -11.467 31.879 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 6.918 -11.993 32.388 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 5.716 -12.107 31.475 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 17.285 -14.830 37.398 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 16.596 -14.172 37.303 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 17.300 -15.027 38.335 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 10.705 -6.996 29.519 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 10.409 -7.318 28.668 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 10.381 -6.096 29.561 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 2.930 -14.604 33.928 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 3.543 -13.971 34.301 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 3.442 -15.076 33.271 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 13.470 -5.881 29.679 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 13.213 -6.571 29.067 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 13.541 -6.324 30.524 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.156 -7.315 38.156 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 15.296 -7.906 37.417 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 15.324 -6.442 37.800 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 9.629 -10.353 27.928 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 8.917 -9.818 27.577 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 10.320 -10.297 27.268 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 9.683 -11.895 24.967 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 10.384 -11.873 25.618 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 9.985 -12.523 24.311 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 12.932 -11.969 37.948 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 13.012 -11.206 38.520 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 12.331 -11.690 37.257 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 4.680 -9.513 30.763 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 4.350 -9.883 29.944 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 5.268 -10.183 31.109 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 11.906 -10.981 26.565 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 12.485 -10.831 27.312 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 12.320 -10.510 25.842 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 3.670 -10.443 28.352 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 3.378 -9.675 27.861 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 2.996 -11.103 28.189 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 16.794 -4.865 24.755 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 16.867 -3.926 24.925 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 17.699 -5.170 24.698 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 14.863 -13.141 40.213 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 14.456 -12.660 39.493 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 14.904 -14.046 39.906 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 9.294 -18.565 37.580 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 9.714 -18.980 38.333 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 8.361 -18.743 37.697 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 12.620 -14.809 38.434 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 12.106 -14.935 39.231 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 12.465 -13.897 38.189 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 13.383 -9.948 24.195 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 13.425 -10.171 23.265 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 14.232 -9.550 24.385 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 4.722 -13.321 35.301 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 4.080 -13.362 36.010 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 4.759 -12.395 35.063 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 4.719 -13.100 30.213 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 3.826 -13.441 30.154 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 5.170 -13.477 29.457 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 2.472 -13.001 37.168 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 2.434 -12.601 38.036 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 1.981 -13.818 37.258 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 8.621 -12.885 33.186 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 9.185 -13.432 32.639 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 8.473 -13.407 33.975 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 7.247 -14.497 35.600 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 6.412 -14.043 35.710 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 7.771 -14.221 36.352 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 7.791 -8.284 27.285 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 7.047 -8.791 26.962 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 7.657 -8.235 28.231 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 14.941 -9.151 36.071 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 15.583 -8.694 35.528 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 14.111 -9.038 35.609 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 17.256 -7.593 39.676 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 16.404 -7.355 39.309 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 17.846 -7.610 38.923 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 15.588 -4.607 27.304 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 15.215 -5.433 27.614 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 15.865 -4.790 26.407 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 12.748 -9.799 34.326 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 11.820 -10.031 34.299 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 13.199 -10.576 33.996 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 1.046 -10.609 25.046 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 1.662 -9.982 25.425 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 0.184 -10.293 25.317 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 1.558 -15.775 37.927 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 0.665 -15.436 37.860 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 1.459 -16.630 38.345 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 13.846 -7.958 27.351 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 13.569 -8.686 27.907 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 14.773 -7.839 27.557 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 2.461 -8.696 26.538 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 1.775 -8.344 27.105 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 2.984 -7.933 26.292 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 10.293 -16.034 36.817 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.991 -15.960 37.467 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 9.912 -16.898 36.972 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 15.017 -15.761 38.769 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 14.101 -15.498 38.681 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 15.353 -15.764 37.872 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 13.619 -12.010 32.865 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 12.822 -12.425 32.536 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 14.064 -12.701 33.356 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 4.668 -7.929 23.801 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 4.732 -8.723 24.332 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 5.321 -8.048 23.112 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 5.817 -9.957 26.107 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 5.358 -10.441 26.793 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 6.072 -10.625 25.471 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 6.888 -11.714 24.370 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 6.708 -11.868 23.442 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 7.839 -11.606 24.414 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 16.278 -9.359 23.815 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 16.005 -9.784 23.002 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 16.318 -8.428 23.598 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 5.858 -16.339 37.038 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 6.394 -15.888 36.386 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 5.006 -16.447 36.616 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 6.664 -18.883 37.470 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 6.566 -17.936 37.364 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 5.921 -19.255 36.994 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 6.886 -19.589 40.141 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 7.598 -20.229 40.127 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 6.785 -19.322 39.227 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 16.737 -8.490 27.790 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 17.587 -8.069 27.918 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 16.742 -9.230 28.398 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 16.890 -7.652 34.562 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 17.724 -8.030 34.281 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 17.002 -6.709 34.443 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 15.774 -9.946 39.816 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 16.357 -10.680 40.007 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 16.338 -9.174 39.862 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 17.271 -12.043 40.500 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 16.408 -12.422 40.335 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 17.875 -12.782 40.426 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 15.240 -13.752 34.075 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 16.173 -13.540 34.041 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 15.005 -13.650 34.998 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 15.269 -13.015 36.851 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 14.426 -12.747 37.217 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 15.712 -12.193 36.640 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 17.552 -19.035 42.205 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 17.902 -19.689 41.599 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 17.699 -18.198 41.765 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 -0.924 -13.256 34.288 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 -0.432 -13.477 33.498 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 -0.562 -12.415 34.569 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 17.072 -16.926 40.554 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 16.155 -16.655 40.518 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 17.195 -17.461 39.770 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 -0.611 -16.998 28.343 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 -1.536 -16.789 28.213 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 -0.157 -16.514 27.653 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 -0.647 -18.260 36.687 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 -1.312 -18.506 37.330 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 -1.090 -17.638 36.110 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 16.073 -18.836 38.373 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 15.260 -18.511 37.985 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 16.306 -19.596 37.840 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 1.787 -18.239 40.035 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 1.421 -19.004 40.478 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 2.700 -18.210 40.322 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 3.760 -18.888 41.571 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 4.659 -19.162 41.386 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 3.374 -19.631 42.035 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 16.893 2.548 -2.550 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 16.942 3.158 -1.814 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 17.319 3.009 -3.273 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 14.359 1.579 -1.750 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 13.623 2.190 -1.788 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 15.043 1.994 -2.276 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 9.294 0.291 -0.132 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 9.714 -0.124 0.621 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 8.361 0.113 -0.015 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 11.706 2.418 -3.149 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 11.029 2.549 -2.485 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 11.220 2.263 -3.959 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 10.293 2.822 -0.895 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 10.991 2.896 -0.245 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 9.912 1.958 -0.740 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 15.017 3.095 1.057 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 14.101 3.358 0.969 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 15.353 3.092 0.160 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 12.278 2.056 4.402 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 12.181 1.104 4.396 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 11.956 2.325 5.263 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 17.552 -0.179 4.493 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 17.902 -0.833 3.887 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.699 0.658 4.053 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 17.072 1.930 2.842 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 16.155 2.201 2.806 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 17.195 1.395 2.058 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 14.645 -0.424 -4.904 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 15.249 0.124 -5.405 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 13.776 -0.104 -5.144 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 11.966 0.060 -5.732 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 12.042 0.155 -6.681 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 11.690 -0.848 -5.603 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 12.182 -0.700 4.041 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 12.258 -1.126 4.895 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 13.075 -0.686 3.699 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 12.248 3.573 11.446 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 12.894 3.244 12.071 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 12.758 4.091 10.823 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 14.012 2.864 13.427 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 13.797 2.098 13.959 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 14.668 3.336 13.940 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 11.689 3.386 6.628 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 10.751 3.498 6.477 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 11.986 4.243 6.934 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 11.077 2.474 9.058 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 11.297 2.946 8.255 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 11.635 2.869 9.729 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 9.161 1.283 10.831 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 8.814 1.901 11.476 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 9.819 1.784 10.350 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 14.996 2.968 4.817 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 15.606 2.596 5.454 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 14.159 2.546 5.013 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 14.628 4.523 9.783 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 14.908 3.616 9.908 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 15.387 4.957 9.394 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 15.242 1.786 9.832 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 15.424 1.337 10.657 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 14.642 1.201 9.368 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 17.108 1.853 6.360 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 17.521 1.132 5.884 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 17.790 2.523 6.418 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 9.503 1.469 13.840 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 8.828 0.840 14.095 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 10.067 0.985 13.237 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 14.645 -0.424 13.952 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 15.249 0.124 13.451 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 13.776 -0.104 13.712 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 16.372 0.715 12.286 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 16.984 0.201 11.759 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 16.755 1.593 12.309 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 11.966 0.060 13.124 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 12.042 0.155 12.175 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 11.690 -0.848 13.253 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 21.989 -43.989 15.167 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 21.619 -44.791 14.798 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 22.930 -44.158 15.214 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 27.086 -45.621 15.445 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 27.390 -46.307 14.851 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 27.808 -45.503 16.063 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 24.761 -46.532 17.407 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 24.021 -45.934 17.510 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 25.475 -45.978 17.091 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 23.169 -44.568 18.194 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 23.163 -43.689 17.816 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 22.315 -44.651 18.619 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 24.903 -43.797 14.588 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 24.808 -44.375 13.831 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 25.632 -44.168 15.084 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 30.212 -42.953 16.274 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 29.971 -42.291 16.922 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 30.014 -43.787 16.699 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 21.703 -47.859 19.486 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 21.773 -47.208 20.184 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 20.812 -47.756 19.151 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 18.619 -45.792 18.311 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 18.118 -45.820 17.496 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 18.625 -46.698 18.621 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 27.546 -42.772 19.753 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 27.633 -41.946 20.228 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 26.682 -43.102 20.002 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 21.614 -40.211 11.340 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 21.766 -40.559 12.219 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 20.763 -40.567 11.085 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 20.868 -44.469 19.354 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 21.085 -44.830 20.214 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 20.013 -44.843 19.144 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 21.447 -46.004 21.592 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 22.180 -45.750 22.153 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 20.667 -45.800 22.107 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 28.167 -45.812 19.666 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 27.821 -46.193 20.472 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 27.967 -44.878 19.737 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 18.780 -48.240 19.513 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 19.003 -48.658 20.345 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 18.178 -48.853 19.091 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 30.417 -43.350 19.616 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 29.516 -43.167 19.348 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 30.451 -43.091 20.537 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 24.258 -40.498 10.724 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 23.308 -40.393 10.776 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 24.609 -39.678 11.069 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 19.987 -42.408 10.529 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 19.155 -41.935 10.556 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 20.533 -41.898 9.930 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 30.450 -42.496 22.208 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 30.099 -43.352 22.451 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 31.176 -42.353 22.815 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 19.183 -45.985 22.813 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 19.327 -46.887 22.527 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 18.410 -45.699 22.325 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 25.838 -46.015 22.246 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 25.510 -45.744 21.388 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 25.990 -46.956 22.158 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 20.015 -48.785 22.233 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 20.423 -49.642 22.112 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 19.755 -48.770 23.154 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 17.859 -38.706 11.075 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 17.212 -39.168 10.542 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 18.214 -39.378 11.658 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 30.011 -39.138 20.437 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 30.688 -39.770 20.197 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 30.333 -38.736 21.245 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 27.935 -39.078 16.487 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 27.478 -38.549 15.833 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 28.098 -38.475 17.212 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 30.262 -40.200 17.432 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 29.358 -40.035 17.166 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 30.691 -39.347 17.366 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 22.313 -41.233 13.847 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 22.094 -42.149 14.016 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 23.137 -41.093 14.313 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 24.850 -40.763 14.695 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 25.063 -41.651 14.408 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 24.915 -40.797 15.650 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 19.423 -40.719 8.363 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 18.738 -40.757 7.695 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 19.426 -39.806 8.651 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 21.065 -48.439 35.488 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 21.107 -49.065 36.212 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 21.768 -47.816 35.670 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 18.599 -50.329 29.416 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 18.151 -49.483 29.398 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 18.038 -50.909 28.901 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 19.309 -48.167 31.542 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 19.523 -48.937 32.069 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 20.047 -48.078 30.939 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 29.514 -40.010 32.409 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 30.134 -40.687 32.136 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 29.306 -40.228 33.317 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 27.086 -45.621 34.301 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 27.390 -46.307 33.707 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 27.808 -45.503 34.919 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 29.561 -44.708 29.519 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 29.265 -45.030 28.668 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 29.237 -43.808 29.561 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 24.761 -46.532 36.263 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 24.021 -45.934 36.366 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 25.475 -45.978 35.947 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 23.169 -44.568 37.050 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 23.163 -43.689 36.672 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 22.315 -44.651 37.475 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 23.536 -47.225 30.763 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 23.206 -47.595 29.944 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 24.124 -47.895 31.109 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 23.903 -48.456 34.396 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 24.468 -48.335 33.633 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 24.222 -47.819 35.035 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 24.783 -44.057 39.113 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 24.471 -43.275 39.569 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 24.133 -44.210 38.427 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 21.703 -47.859 38.342 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 21.773 -47.208 39.040 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 20.812 -47.756 38.007 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 28.488 -41.956 30.000 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 28.962 -41.661 30.778 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 27.925 -41.218 29.767 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 22.526 -48.155 28.352 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 22.234 -47.387 27.861 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 21.852 -48.815 28.189 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 27.546 -42.772 38.609 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 27.633 -41.946 39.084 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 26.682 -43.102 38.858 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 27.960 -39.000 28.415 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 27.885 -39.121 27.469 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 27.993 -38.050 28.534 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 31.062 -39.846 25.418 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 31.437 -40.590 24.947 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 31.066 -40.116 26.336 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 30.731 -39.920 28.167 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 29.796 -39.820 28.346 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 31.011 -40.629 28.745 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 20.868 -44.469 38.210 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 21.085 -44.830 39.070 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 20.013 -44.843 38.000 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 21.447 -46.004 40.448 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 22.180 -45.750 41.009 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 20.667 -45.800 40.963 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 26.647 -45.996 27.285 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 25.903 -46.503 26.962 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 26.513 -45.947 28.231 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 21.772 -46.701 33.054 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 22.517 -46.703 32.453 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 21.850 -47.525 33.536 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 28.773 -44.537 26.310 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 28.478 -43.711 26.692 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 28.070 -45.157 26.506 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 18.780 -48.240 38.369 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 19.003 -48.658 39.201 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 18.178 -48.853 37.947 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 19.902 -48.321 25.046 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 20.518 -47.694 25.425 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 19.040 -48.005 25.317 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 25.574 -45.520 30.035 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 25.333 -44.595 30.077 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 24.834 -45.979 30.431 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 26.089 -41.371 36.350 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 26.452 -40.516 36.117 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 26.621 -41.663 37.091 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 21.317 -46.408 26.538 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 20.631 -46.056 27.105 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 21.840 -45.645 26.292 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 23.873 -40.876 42.335 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 24.641 -41.335 42.676 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 23.852 -41.102 41.405 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 19.183 -45.985 41.669 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 19.327 -46.887 41.383 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 18.410 -45.699 41.181 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 23.524 -45.641 23.801 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 23.588 -46.435 24.332 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 24.177 -45.760 23.112 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 25.838 -46.015 41.102 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 25.510 -45.744 40.244 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 25.990 -46.956 41.014 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 28.876 -44.594 23.537 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 28.608 -44.414 24.438 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 28.670 -45.520 23.406 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 20.015 -48.785 41.089 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 20.423 -49.642 40.968 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 19.755 -48.770 42.010 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 24.673 -47.669 26.107 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 24.214 -48.153 26.793 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 24.928 -48.337 25.471 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 18.809 -47.550 34.187 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.993 -47.632 33.252 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 19.658 -47.674 34.611 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 17.932 -50.968 34.288 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 18.424 -51.189 33.498 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 18.294 -50.127 34.569 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 23.355 -41.822 37.090 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 22.930 -41.013 36.807 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 24.260 -41.737 36.788 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 27.666 -40.423 40.049 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 27.851 -40.757 40.927 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 28.513 -40.114 39.727 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 23.224 -38.966 36.167 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 22.359 -38.894 36.571 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 23.169 -38.419 35.383 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 27.935 -39.078 35.343 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 27.478 -38.549 34.689 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 28.098 -38.475 36.068 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 19.290 -44.897 46.688 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 19.018 -44.668 45.799 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 19.335 -44.059 47.148 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 27.960 -39.000 47.271 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 27.885 -39.121 46.325 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 27.993 -38.050 47.390 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 21.614 -40.211 49.052 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 21.766 -40.559 49.931 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 20.763 -40.567 48.797 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 19.902 -48.321 43.902 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 20.518 -47.694 44.281 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 19.040 -48.005 44.173 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 24.258 -40.498 48.436 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 23.308 -40.393 48.488 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 24.609 -39.678 48.781 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 25.927 -43.231 42.428 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 26.166 -43.979 41.880 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 25.658 -43.619 43.260 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 24.864 -43.661 44.884 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 25.011 -44.181 45.674 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 24.861 -42.754 45.190 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 21.317 -46.408 45.394 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 20.631 -46.056 45.961 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 21.840 -45.645 45.148 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 24.940 -40.920 45.615 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 25.101 -40.120 45.114 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 24.743 -40.613 46.500 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 21.933 -43.794 44.291 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.525 -43.095 44.567 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 22.392 -44.227 43.572 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 19.987 -42.408 48.241 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 19.155 -41.935 48.268 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 20.533 -41.898 47.642 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 27.965 -41.368 42.566 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 27.321 -41.999 42.888 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 28.727 -41.899 42.334 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 23.524 -45.641 42.657 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 23.588 -46.435 43.188 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 24.177 -45.760 41.968 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 25.642 -38.735 44.227 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 26.575 -38.577 44.371 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 25.378 -38.060 43.602 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 17.859 -38.706 48.787 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 17.212 -39.168 48.254 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 18.214 -39.378 49.370 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 18.729 -40.625 50.592 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 18.395 -41.506 50.764 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 18.951 -40.280 51.456 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 19.423 -40.719 46.075 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 18.738 -40.757 45.407 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 19.426 -39.806 46.363 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 28.287 -39.509 44.472 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 29.153 -39.143 44.294 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 28.040 -39.949 43.659 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 23.022 -23.129 2.165 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 23.030 -23.265 1.217 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 22.106 -23.247 2.417 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 20.065 -22.826 -1.350 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 20.282 -23.758 -1.381 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 20.312 -22.552 -0.466 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 23.873 -22.020 4.623 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 24.641 -22.479 4.964 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 23.852 -22.246 3.693 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 20.401 -23.941 3.119 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 19.580 -23.766 2.659 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 20.149 -24.014 4.040 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 20.757 -19.710 -0.575 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 20.037 -19.270 -1.026 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 20.391 -19.961 0.274 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 18.599 -31.473 10.560 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 18.151 -30.627 10.542 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 18.038 -32.053 10.045 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 29.514 -21.154 13.553 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 30.134 -21.831 13.280 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 29.306 -21.372 14.461 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 27.086 -26.765 15.445 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 27.390 -27.451 14.851 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 27.808 -26.647 16.063 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 23.382 -34.270 13.045 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 23.425 -33.410 12.627 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 22.924 -34.822 12.412 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 20.002 -31.873 13.807 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 20.656 -32.423 14.239 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 20.026 -32.147 12.891 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 25.158 -30.323 13.023 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 25.774 -30.849 13.532 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 24.572 -30.963 12.619 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.761 -27.676 17.407 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 24.021 -27.078 17.510 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 25.475 -27.122 17.091 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 19.290 -26.041 8.976 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 19.018 -25.812 8.087 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 19.335 -25.203 9.436 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 26.218 -38.046 14.572 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 26.101 -38.995 14.518 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 25.363 -37.714 14.845 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.536 -28.369 11.907 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 23.206 -28.739 11.088 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 24.124 -29.039 12.253 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 24.903 -24.941 14.588 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 24.808 -25.519 13.831 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 25.632 -25.312 15.084 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 23.903 -29.600 15.540 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 24.468 -29.479 14.777 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 24.222 -28.963 16.179 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 30.212 -24.097 16.274 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 29.971 -23.435 16.922 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 30.014 -24.931 16.699 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 22.526 -29.299 9.496 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 22.234 -28.531 9.005 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 21.852 -29.959 9.333 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 28.150 -37.421 18.724 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 28.570 -37.836 19.477 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 27.217 -37.599 18.841 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 23.578 -32.177 16.445 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 22.936 -32.218 17.154 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 23.615 -31.251 16.207 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 23.575 -31.956 11.357 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 22.682 -32.297 11.298 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 24.026 -32.333 10.601 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 28.213 -31.365 21.662 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 27.650 -32.069 21.982 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 29.039 -31.485 22.129 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 19.211 -33.995 7.586 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 19.685 -33.404 7.001 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 18.493 -33.464 7.933 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 26.157 -34.529 12.443 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 25.246 -34.472 12.732 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 26.662 -34.589 13.254 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 20.985 -32.900 11.270 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 20.096 -32.800 10.930 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 21.281 -33.742 10.924 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.479 -35.605 10.748 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.162 -36.507 10.713 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 23.260 -35.603 10.196 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 26.103 -33.353 16.744 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 25.268 -32.899 16.854 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 26.627 -33.077 17.496 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 28.167 -26.956 19.666 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 27.821 -27.337 20.472 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 27.967 -26.022 19.737 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 25.797 -29.867 21.726 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 25.501 -30.033 20.831 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 26.728 -30.087 21.716 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 30.417 -24.494 19.616 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 29.516 -24.311 19.348 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 30.451 -24.235 20.537 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 24.147 -24.327 11.603 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 24.674 -23.554 11.402 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 23.267 -24.102 11.301 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 25.574 -26.664 11.179 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 25.333 -25.739 11.221 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 24.834 -27.123 11.575 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 24.258 -21.642 10.724 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 23.308 -21.537 10.776 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 24.609 -20.822 11.069 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 29.633 -26.416 17.195 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 29.207 -26.643 18.021 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 30.214 -27.154 17.012 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 32.292 -21.864 19.664 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 31.690 -22.419 19.169 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 32.573 -21.197 19.038 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 21.317 -27.552 7.682 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 20.631 -27.200 8.249 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 21.840 -26.789 7.436 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 29.149 -34.890 17.961 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.847 -34.816 18.611 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.768 -35.754 18.116 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 27.669 -32.524 19.078 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 27.788 -31.950 19.835 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 28.324 -33.212 19.193 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 21.933 -24.938 6.579 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 22.525 -24.239 6.855 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 22.392 -25.371 5.860 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 30.450 -23.640 22.208 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 30.099 -24.496 22.451 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 31.176 -23.497 22.815 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 25.838 -27.159 22.246 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 25.510 -26.888 21.388 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 25.990 -28.100 22.158 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 23.962 -30.920 19.607 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 23.344 -30.245 19.888 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 24.306 -30.599 18.774 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 28.982 -28.449 22.885 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 29.935 -28.365 22.857 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 28.822 -29.160 23.504 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 26.296 -29.756 18.422 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 27.047 -29.912 17.849 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 25.957 -28.904 18.146 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 26.784 -33.417 22.177 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 26.548 -33.637 23.079 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 26.001 -33.624 21.668 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 29.500 -34.290 21.253 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.552 -34.258 21.385 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 29.812 -34.915 21.907 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 31.134 -35.656 23.258 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 31.037 -36.608 23.252 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 30.812 -35.387 24.119 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 19.210 -25.243 5.998 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 20.124 -25.164 6.271 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 19.217 -25.930 5.331 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 18.245 -35.854 9.487 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 17.320 -35.645 9.357 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.699 -35.370 8.797 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 30.011 -20.282 20.437 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 30.688 -20.914 20.197 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 30.333 -19.880 21.245 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 30.262 -21.344 17.432 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 29.358 -21.179 17.166 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 30.691 -20.491 17.366 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 32.867 -19.774 17.727 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 32.685 -18.858 17.516 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 33.043 -20.184 16.880 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 22.313 -22.377 13.847 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 22.094 -23.293 14.016 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 23.137 -22.237 14.313 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 24.850 -21.907 14.695 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 25.063 -22.795 14.408 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 24.915 -21.941 15.650 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 28.359 -36.243 13.840 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 27.684 -36.872 14.095 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 28.923 -36.727 13.237 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 19.522 -37.811 7.465 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 19.961 -37.200 6.874 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 18.888 -37.273 7.939 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 25.265 -37.682 11.475 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 26.139 -37.294 11.445 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 25.129 -37.897 12.398 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 21.241 -20.943 5.388 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 20.973 -20.656 6.261 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 22.012 -21.489 5.540 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 31.038 -38.412 22.897 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 31.114 -38.838 23.751 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 31.931 -38.398 22.555 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 28.697 -29.198 33.895 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 28.659 -29.844 34.600 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 28.374 -29.664 33.124 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 21.989 -25.133 34.023 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 21.619 -25.935 33.654 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 22.930 -25.302 34.070 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 30.227 -32.371 34.629 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 30.370 -33.318 34.649 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 30.121 -32.164 33.700 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 24.761 -27.676 36.263 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 24.021 -27.078 36.366 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 25.475 -27.122 35.947 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 23.169 -25.712 37.050 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 23.163 -24.833 36.672 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 22.315 -25.795 37.475 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 26.218 -38.046 33.428 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 26.101 -38.995 33.374 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 25.363 -37.714 33.701 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 28.485 -29.209 27.928 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 27.773 -28.674 27.577 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 29.176 -29.153 27.268 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 28.539 -30.751 24.967 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 29.240 -30.729 25.618 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 28.841 -31.379 24.311 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 23.536 -28.369 30.763 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 23.206 -28.739 29.944 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 24.124 -29.039 31.109 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 24.903 -24.941 33.444 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 24.808 -25.519 32.687 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 25.632 -25.312 33.940 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.903 -29.600 34.396 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 24.468 -29.479 33.633 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 24.222 -28.963 35.035 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 21.703 -29.003 38.342 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 21.773 -28.352 39.040 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 20.812 -28.900 38.007 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 18.619 -26.936 37.167 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.118 -26.964 36.352 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 18.625 -27.842 37.477 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 18.370 -24.156 34.051 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 19.316 -24.300 34.032 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 18.257 -23.372 34.588 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 27.960 -20.144 28.415 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 27.885 -20.265 27.469 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 27.993 -19.194 28.534 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 21.614 -21.355 30.196 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.766 -21.703 31.075 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 20.763 -21.711 29.941 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 31.062 -20.990 25.418 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 31.437 -21.734 24.947 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 31.066 -21.260 26.336 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 20.868 -25.613 38.210 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 21.085 -25.974 39.070 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 20.013 -25.987 38.000 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 27.812 -34.928 24.865 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 27.558 -34.909 25.788 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 27.555 -35.800 24.564 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 29.111 -31.540 29.030 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 28.702 -30.725 28.738 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 29.831 -31.680 28.415 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 28.213 -31.365 40.518 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 27.650 -32.069 40.838 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 29.039 -31.485 40.985 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 30.115 -32.094 31.844 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 29.920 -31.489 31.129 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 30.297 -32.928 31.409 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 21.328 -31.857 37.168 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 21.290 -31.457 38.036 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 20.837 -32.674 37.258 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 24.638 -32.900 27.782 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 25.570 -32.771 27.960 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 24.423 -32.230 27.133 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 21.447 -27.148 40.448 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 22.180 -26.894 41.009 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 20.667 -26.944 40.963 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 27.477 -31.741 33.186 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 28.041 -32.288 32.639 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 27.329 -32.263 33.975 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 26.103 -33.353 35.600 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 25.268 -32.899 35.710 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 26.627 -33.077 36.352 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 26.647 -27.140 27.285 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 25.903 -27.647 26.962 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 26.513 -27.091 28.231 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 30.545 -34.326 25.484 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 29.607 -34.214 25.333 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 30.842 -33.469 25.790 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 21.772 -27.845 33.054 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 22.517 -27.847 32.453 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 21.850 -28.669 33.536 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 28.773 -25.681 26.310 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 28.478 -24.855 26.692 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 28.070 -26.301 26.506 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 18.780 -29.384 38.369 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 19.003 -29.802 39.201 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 18.178 -29.997 37.947 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.797 -29.867 40.582 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 25.501 -30.033 39.687 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 26.728 -30.087 40.572 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 24.147 -24.327 30.459 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 24.674 -23.554 30.258 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 23.267 -24.102 30.157 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 25.574 -26.664 30.035 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 25.333 -25.739 30.077 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 24.834 -27.123 30.431 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 24.258 -21.642 29.580 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 23.308 -21.537 29.632 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.609 -20.822 29.925 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 20.065 -22.826 36.362 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 20.282 -23.758 36.331 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 20.312 -22.552 37.246 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 25.927 -24.375 23.572 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 26.166 -25.123 23.024 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 25.658 -24.763 24.404 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 24.864 -24.805 26.028 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 25.011 -25.325 26.818 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 24.861 -23.898 26.334 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 29.933 -35.238 27.914 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 30.153 -34.766 27.111 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 30.491 -34.843 28.585 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 27.602 -23.107 26.777 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 26.785 -22.610 26.830 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 28.131 -22.632 26.137 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 27.133 -33.510 28.749 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 27.945 -33.006 28.795 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 26.888 -33.655 29.663 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 27.669 -32.524 37.934 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 27.788 -31.950 38.691 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.324 -33.212 38.049 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 28.017 -36.429 29.687 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 27.670 -35.811 30.332 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 28.675 -35.928 29.206 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.940 -22.064 26.759 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 25.101 -21.264 26.258 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.743 -21.757 27.644 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 19.276 -20.939 40.715 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 19.816 -21.156 41.474 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 18.795 -21.745 40.525 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 32.569 -22.695 23.944 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 32.852 -23.489 24.397 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 33.309 -22.462 23.383 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 19.183 -27.129 41.669 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 19.327 -28.031 41.383 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 18.410 -26.843 41.181 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 28.876 -25.738 23.537 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 28.608 -25.558 24.438 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 28.670 -26.664 23.406 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 20.015 -29.929 41.089 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 20.423 -30.786 40.968 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 19.755 -29.914 42.010 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 24.673 -28.813 26.107 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 24.214 -29.297 26.793 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 24.928 -29.481 25.471 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 23.962 -30.920 38.463 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 23.344 -30.245 38.744 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 24.306 -30.599 37.630 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 25.744 -30.570 24.370 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 25.564 -30.724 23.442 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 26.695 -30.462 24.414 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.302 -33.565 39.546 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 24.452 -34.294 38.943 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.304 -32.788 38.987 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 24.714 -35.195 37.038 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 25.250 -34.744 36.386 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 23.862 -35.303 36.616 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 26.296 -29.756 37.278 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 27.047 -29.912 36.705 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 25.957 -28.904 37.002 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 22.780 -32.367 41.457 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 22.013 -32.899 41.247 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 23.459 -32.677 40.858 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 25.520 -37.739 37.470 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 25.422 -36.792 37.364 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 24.777 -38.111 36.994 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.784 -33.417 41.033 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.548 -33.637 41.935 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 26.001 -33.624 40.524 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 25.742 -38.445 40.141 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 26.454 -39.085 40.127 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.641 -38.178 39.227 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 26.095 -36.762 42.195 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 25.964 -37.238 41.374 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 25.496 -36.018 42.139 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 18.729 -21.769 31.736 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 18.395 -22.650 31.908 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 18.951 -21.424 32.600 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 23.355 -22.966 37.090 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 22.930 -22.157 36.807 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 24.260 -22.881 36.788 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 20.757 -19.710 37.137 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 20.037 -19.270 36.686 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 20.391 -19.961 37.986 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.224 -20.110 36.167 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 22.359 -20.038 36.571 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 23.169 -19.563 35.383 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 22.313 -22.377 32.703 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 22.094 -23.293 32.872 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 23.137 -22.237 33.169 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 28.359 -36.243 32.696 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 27.684 -36.872 32.951 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 28.923 -36.727 32.093 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 25.265 -37.682 30.331 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 26.139 -37.294 30.301 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 25.129 -37.897 31.254 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 26.409 -35.602 27.221 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 26.587 -36.248 27.904 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 26.355 -34.768 27.688 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.287 -20.653 25.616 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 29.153 -20.287 25.438 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 28.040 -21.093 24.803 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 18.599 -31.473 48.272 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 18.151 -30.627 48.254 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 18.038 -32.053 47.757 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 19.309 -29.311 50.398 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 19.523 -30.081 50.925 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 20.047 -29.222 49.795 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 23.382 -34.270 50.757 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 23.425 -33.410 50.339 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 22.924 -34.822 50.124 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 20.002 -31.873 51.519 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 20.656 -32.423 51.951 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 20.026 -32.147 50.603 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 25.158 -30.323 50.735 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 25.774 -30.849 51.244 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.572 -30.963 50.331 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 21.786 -33.460 52.784 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 22.399 -32.827 53.157 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 22.298 -33.932 52.127 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 19.290 -26.041 46.688 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 19.018 -25.812 45.799 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 19.335 -25.203 47.148 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 26.218 -38.046 52.284 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 26.101 -38.995 52.230 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 25.363 -37.714 52.557 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 28.539 -30.751 43.823 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 29.240 -30.729 44.474 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 28.841 -31.379 43.167 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 23.536 -28.369 49.619 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 23.206 -28.739 48.800 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 24.124 -29.039 49.965 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 22.526 -29.299 47.208 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 22.234 -28.531 46.717 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 21.852 -29.959 47.045 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 23.487 -37.143 53.062 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 22.626 -37.230 52.654 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 23.465 -36.287 53.489 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 27.812 -34.928 43.721 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 27.558 -34.909 44.644 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 27.555 -35.800 43.420 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 23.575 -31.956 49.069 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 22.682 -32.297 49.010 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 24.026 -32.333 48.313 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 29.111 -31.540 47.886 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 28.702 -30.725 47.594 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 29.831 -31.680 47.271 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 17.936 -34.741 49.874 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 18.567 -34.770 50.594 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 18.386 -35.166 49.144 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 26.157 -34.529 50.155 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 25.246 -34.472 50.444 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 26.662 -34.589 50.966 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 20.985 -32.900 48.982 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 20.096 -32.800 48.642 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.281 -33.742 48.636 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 30.545 -34.326 44.340 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 29.607 -34.214 44.189 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 30.842 -33.469 44.646 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 19.902 -29.465 43.902 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 20.518 -28.838 44.281 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 19.040 -29.149 44.173 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 21.317 -27.552 45.394 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 20.631 -27.200 45.961 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 21.840 -26.789 45.148 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 29.933 -35.238 46.770 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 30.153 -34.766 45.967 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 30.491 -34.843 47.441 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 27.133 -33.510 47.605 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 27.945 -33.006 47.651 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 26.888 -33.655 48.519 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 28.017 -36.429 48.543 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 27.670 -35.811 49.188 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 28.675 -35.928 48.062 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 21.057 -37.492 52.080 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 20.828 -37.433 51.153 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 20.614 -38.284 52.387 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 24.673 -28.813 44.963 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 24.214 -29.297 45.649 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 24.928 -29.481 44.327 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 25.744 -30.570 43.226 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 25.564 -30.724 42.298 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 26.695 -30.462 43.270 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 19.210 -25.243 43.710 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 20.124 -25.164 43.983 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 19.217 -25.930 43.043 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.628 -35.111 52.075 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 20.073 -35.903 52.377 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 20.094 -34.395 52.506 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 28.359 -36.243 51.552 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 27.684 -36.872 51.807 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 28.923 -36.727 50.949 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 20.685 -37.609 49.374 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 19.908 -37.843 48.866 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 21.216 -38.406 49.382 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 25.265 -37.682 49.187 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 26.139 -37.294 49.157 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 25.129 -37.897 50.110 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 21.989 -6.277 -3.689 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 21.619 -7.079 -4.058 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 22.930 -6.446 -3.642 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 18.599 -12.617 -8.296 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 18.151 -11.771 -8.314 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 18.038 -13.197 -8.811 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 23.382 -15.414 -5.811 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 23.425 -14.554 -6.229 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 22.924 -15.966 -6.444 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 20.002 -13.017 -5.049 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 20.656 -13.567 -4.617 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 20.026 -13.291 -5.965 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 25.158 -11.467 -5.833 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 25.774 -11.993 -5.324 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 24.572 -12.107 -6.237 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 22.192 -16.496 -1.737 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 21.973 -15.966 -2.503 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 21.524 -16.269 -1.089 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 24.761 -8.820 -1.449 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 24.021 -8.222 -1.346 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 25.475 -8.266 -1.765 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 21.786 -14.604 -3.784 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 22.399 -13.971 -3.411 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 22.298 -15.076 -4.441 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 23.169 -6.856 -0.662 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 23.163 -5.977 -1.040 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 22.315 -6.939 -0.237 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 19.290 -7.185 -9.880 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 19.018 -6.956 -10.769 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 19.335 -6.347 -9.420 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 23.536 -9.513 -6.949 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 23.206 -9.883 -7.768 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 24.124 -10.183 -6.603 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 24.903 -6.085 -4.268 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 24.808 -6.663 -5.025 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.632 -6.456 -3.772 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 23.903 -10.744 -3.316 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 24.468 -10.623 -4.079 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 24.222 -10.107 -2.677 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 24.783 -6.345 1.401 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 24.471 -5.563 1.857 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 24.133 -6.498 0.715 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 23.022 -4.273 2.165 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 23.030 -4.409 1.217 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 22.106 -4.391 2.417 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 22.526 -10.443 -9.360 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 22.234 -9.675 -9.851 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 21.852 -11.103 -9.523 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 18.370 -5.300 -3.661 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 19.316 -5.444 -3.680 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 18.257 -4.516 -3.124 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 23.578 -13.321 -2.411 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 22.936 -13.362 -1.702 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 23.615 -12.395 -2.649 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 23.575 -13.100 -7.499 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 22.682 -13.441 -7.558 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 24.026 -13.477 -8.255 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 17.936 -15.885 -6.694 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 18.567 -15.914 -5.974 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 18.386 -16.310 -7.424 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 20.985 -14.044 -7.586 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 20.096 -13.944 -7.926 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 21.281 -14.886 -7.932 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 21.447 -8.292 2.736 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 22.180 -8.038 3.297 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 20.667 -8.088 3.251 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 25.797 -11.011 2.870 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 25.501 -11.177 1.975 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 26.728 -11.231 2.860 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 20.414 -15.775 0.215 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 19.521 -15.436 0.148 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 20.315 -16.630 0.633 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 20.065 -3.970 -1.350 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 20.282 -4.902 -1.381 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 20.312 -3.696 -0.466 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 19.987 -4.696 -8.327 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 19.155 -4.223 -8.300 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 20.533 -4.186 -8.926 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 19.276 -2.083 3.003 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 19.816 -2.300 3.762 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 18.795 -2.889 2.813 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 19.183 -8.273 3.957 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 19.327 -9.175 3.671 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 18.410 -7.987 3.469 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 25.838 -8.303 3.390 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 25.510 -8.032 2.532 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 25.990 -9.244 3.302 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 23.962 -12.064 0.751 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 23.344 -11.389 1.032 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 24.306 -11.743 -0.082 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 24.302 -14.709 1.834 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 24.452 -15.438 1.231 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 24.304 -13.932 1.275 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.296 -10.900 -0.434 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 27.047 -11.056 -1.007 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 25.957 -10.048 -0.710 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 22.780 -13.511 3.745 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 22.013 -14.043 3.535 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 23.459 -13.821 3.146 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 18.729 -2.913 -5.976 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 18.395 -3.794 -5.804 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 18.951 -2.568 -5.112 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 19.628 -16.255 -4.493 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 20.073 -17.047 -4.191 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 20.094 -15.539 -4.062 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 18.209 -18.260 -1.025 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 17.544 -18.506 -0.382 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 17.766 -17.638 -1.602 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 20.401 -5.085 3.119 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 19.580 -4.910 2.659 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 20.149 -5.158 4.040 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 23.355 -4.110 -0.622 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 22.930 -3.301 -0.905 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 24.260 -4.025 -0.924 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 20.757 -0.854 -0.575 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 20.037 -0.414 -1.026 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 20.391 -1.105 0.274 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 20.172 -2.231 -3.664 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 20.153 -2.656 -2.807 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 20.977 -2.549 -4.073 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 22.313 -3.521 -5.009 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 22.094 -4.437 -4.840 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 23.137 -3.381 -4.543 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 22.616 -18.888 3.859 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 23.515 -19.162 3.674 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 22.230 -19.631 4.323 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 21.989 -6.277 15.167 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 21.619 -7.079 14.798 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 22.930 -6.446 15.214 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 18.599 -12.617 10.560 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 18.151 -11.771 10.542 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 18.038 -13.197 10.045 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 19.309 -10.455 12.686 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 19.523 -11.225 13.213 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 20.047 -10.366 12.083 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 30.227 -13.515 15.773 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 30.370 -14.462 15.793 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 30.121 -13.308 14.844 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 23.382 -15.414 13.045 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 23.425 -14.554 12.627 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 22.924 -15.966 12.412 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 20.002 -13.017 13.807 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 20.656 -13.567 14.239 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 20.026 -13.291 12.891 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 25.158 -11.467 13.023 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 25.774 -11.993 13.532 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 24.572 -12.107 12.619 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 24.761 -8.820 17.407 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 24.021 -8.222 17.510 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 25.475 -8.266 17.091 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 21.786 -14.604 15.072 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 22.399 -13.971 15.445 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 22.298 -15.076 14.415 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 23.169 -6.856 18.194 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 23.163 -5.977 17.816 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.315 -6.939 18.619 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 26.218 -19.190 14.572 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.101 -20.139 14.518 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.363 -18.858 14.845 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 23.903 -10.744 15.540 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 24.468 -10.623 14.777 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 24.222 -10.107 16.179 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 24.783 -6.345 20.257 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 24.471 -5.563 20.713 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 24.133 -6.498 19.571 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 23.022 -4.273 21.021 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 23.030 -4.409 20.073 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 22.106 -4.391 21.273 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.526 -10.443 9.496 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 22.234 -9.675 9.005 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 21.852 -11.103 9.333 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 18.619 -8.080 18.311 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 18.118 -8.108 17.496 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 18.625 -8.986 18.621 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 18.370 -5.300 15.195 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 19.316 -5.444 15.176 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 18.257 -4.516 15.732 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 21.614 -2.499 11.340 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 21.766 -2.847 12.219 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 20.763 -2.855 11.085 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 33.719 -13.141 21.357 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 33.312 -12.660 20.637 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 33.760 -14.046 21.050 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 20.868 -6.757 19.354 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 21.085 -7.118 20.214 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 20.013 -7.131 19.144 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 31.476 -14.809 19.578 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 30.962 -14.935 20.375 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 31.321 -13.897 19.333 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 23.578 -13.321 16.445 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 22.936 -13.362 17.154 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 23.615 -12.395 16.207 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 28.213 -12.509 21.662 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 27.650 -13.213 21.982 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 29.039 -12.629 22.129 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 24.694 -15.627 5.110 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 24.263 -16.072 5.840 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 23.976 -15.255 4.598 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 29.379 -11.600 17.659 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 29.703 -12.231 17.016 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 28.939 -12.135 18.320 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 26.157 -15.673 12.443 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 25.246 -15.616 12.732 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 26.662 -15.733 13.254 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 20.985 -14.044 11.270 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 20.096 -13.944 10.930 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 21.281 -14.886 10.924 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 30.562 -16.438 15.707 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 29.885 -16.307 16.371 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 30.076 -16.593 14.897 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 23.312 -12.849 6.493 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 22.770 -13.229 5.802 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 24.146 -12.655 6.064 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 27.477 -12.885 14.330 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 28.041 -13.432 13.783 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 27.329 -13.407 15.119 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 22.479 -16.749 10.748 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 22.162 -17.651 10.713 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 23.260 -16.747 10.196 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 26.103 -14.497 16.744 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 25.268 -14.043 16.854 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 26.627 -14.221 17.496 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 28.167 -8.100 19.666 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 27.821 -8.481 20.472 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 27.967 -7.166 19.737 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 21.772 -8.989 14.198 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 22.517 -8.991 13.597 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 21.850 -9.813 14.680 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 25.797 -11.011 21.726 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 25.501 -11.177 20.831 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 26.728 -11.231 21.716 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 19.902 -10.609 6.190 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 20.518 -9.982 6.569 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 19.040 -10.293 6.461 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 20.065 -3.970 17.506 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 20.282 -4.902 17.475 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 20.312 -3.696 18.390 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 21.317 -8.696 7.682 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.631 -8.344 8.249 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 21.840 -7.933 7.436 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 29.149 -16.034 17.961 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 29.847 -15.960 18.611 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 28.768 -16.898 18.116 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 27.669 -13.668 19.078 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 27.788 -13.094 19.835 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 28.324 -14.356 19.193 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 23.674 -16.510 7.519 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 23.591 -15.621 7.865 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 24.564 -16.775 7.750 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 21.933 -6.082 6.579 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 22.525 -5.383 6.855 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 22.392 -6.515 5.860 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 20.249 -13.418 5.695 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 20.204 -12.479 5.874 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 19.361 -13.654 5.425 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 21.057 -18.636 14.368 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 20.828 -18.577 13.441 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 20.614 -19.428 14.675 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 19.987 -4.696 10.529 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 19.155 -4.223 10.556 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 20.533 -4.186 9.930 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 23.524 -7.929 4.945 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 23.588 -8.723 5.476 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 24.177 -8.048 4.256 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 25.838 -8.303 22.246 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 25.510 -8.032 21.388 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 25.990 -9.244 22.158 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 28.982 -9.593 22.885 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 29.935 -9.509 22.857 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 28.822 -10.304 23.504 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 26.296 -10.900 18.422 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 27.047 -11.056 17.849 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 25.957 -10.048 18.146 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 30.712 -13.085 23.450 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 30.904 -14.016 23.339 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 31.569 -12.660 23.440 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 32.028 -10.296 21.528 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 31.747 -9.587 20.950 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 32.971 -10.369 21.377 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 29.500 -15.434 21.253 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 28.552 -15.402 21.385 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 29.812 -16.059 21.907 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 31.134 -16.800 23.258 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 31.037 -17.752 23.252 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 30.812 -16.531 24.119 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 18.729 -2.913 12.880 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 18.395 -3.794 13.052 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 18.951 -2.568 13.744 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 18.809 -9.838 15.331 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 18.993 -9.920 14.396 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 19.658 -9.962 15.755 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 20.401 -5.085 21.975 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 19.580 -4.910 21.515 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 20.149 -5.158 22.896 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 23.355 -4.110 18.234 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 22.930 -3.301 17.951 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.260 -4.025 17.932 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 20.172 -2.231 15.192 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 20.153 -2.656 16.049 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 20.977 -2.549 14.783 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 22.313 -3.521 13.847 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 22.094 -4.437 14.016 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.137 -3.381 14.313 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 28.359 -17.387 13.840 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 27.684 -18.016 14.095 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 28.923 -17.871 13.237 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.265 -18.826 11.475 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 26.139 -18.438 11.445 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 25.129 -19.041 12.398 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 19.423 -3.007 8.363 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 18.738 -3.045 7.695 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 19.426 -2.094 8.651 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 21.383 -17.039 5.908 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 21.874 -17.669 5.380 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 22.006 -16.743 6.571 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 21.241 -2.087 5.388 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 20.973 -1.800 6.261 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 22.012 -2.633 5.540 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 31.038 -19.556 22.897 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 31.114 -19.982 23.751 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 31.931 -19.542 22.555 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 29.764 -9.597 30.476 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 29.853 -8.653 30.344 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 29.125 -9.872 29.818 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 21.989 -6.277 34.023 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 21.619 -7.079 33.654 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 22.930 -6.446 34.070 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 27.086 -7.909 34.301 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 27.390 -8.595 33.707 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 27.808 -7.791 34.919 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 31.104 -15.283 30.302 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 31.750 -15.612 30.927 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 31.614 -14.765 29.679 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 25.158 -11.467 31.879 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 25.774 -11.993 32.388 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 24.572 -12.107 31.475 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 22.192 -16.496 35.975 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.973 -15.966 35.209 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 21.524 -16.269 36.623 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 29.561 -6.996 29.519 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 29.265 -7.318 28.668 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 29.237 -6.096 29.561 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 24.761 -8.820 36.263 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 24.021 -8.222 36.366 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 25.475 -8.266 35.947 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 23.169 -6.856 37.050 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 23.163 -5.977 36.672 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 22.315 -6.939 37.475 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 28.485 -10.353 27.928 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 27.773 -9.818 27.577 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 29.176 -10.297 27.268 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 31.891 -10.143 28.880 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 31.159 -9.915 29.453 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 32.338 -10.857 29.335 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 24.903 -6.085 33.444 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 24.808 -6.663 32.687 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 25.632 -6.456 33.940 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 30.762 -10.981 26.565 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 31.341 -10.831 27.312 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 31.176 -10.510 25.842 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 21.703 -10.147 38.342 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 21.773 -9.496 39.040 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 20.812 -10.044 38.007 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 18.619 -8.080 37.167 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 18.118 -8.108 36.352 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 18.625 -8.986 37.477 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 18.370 -5.300 34.051 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 19.316 -5.444 34.032 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 18.257 -4.516 34.588 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 20.868 -6.757 38.210 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 21.085 -7.118 39.070 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 20.013 -7.131 38.000 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 23.487 -18.287 34.206 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 22.626 -18.374 33.798 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 23.465 -17.431 34.633 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 32.239 -9.948 24.195 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 32.281 -10.171 23.265 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 33.088 -9.550 24.385 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 23.578 -13.321 35.301 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.936 -13.362 36.010 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 23.615 -12.395 35.063 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 29.111 -12.684 29.030 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 28.702 -11.869 28.738 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 29.831 -12.824 28.415 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 30.115 -13.238 31.844 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 29.920 -12.633 31.129 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 30.297 -14.072 31.409 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 26.157 -15.673 31.299 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 25.246 -15.616 31.588 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 26.662 -15.733 32.110 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 21.447 -8.292 40.448 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 22.180 -8.038 41.009 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 20.667 -8.088 40.963 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 27.477 -12.885 33.186 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 28.041 -13.432 32.639 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 27.329 -13.407 33.975 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 22.479 -16.749 29.604 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 22.162 -17.651 29.569 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 23.260 -16.747 29.052 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 26.103 -14.497 35.600 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 25.268 -14.043 35.710 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 26.627 -14.221 36.352 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 26.647 -8.284 27.285 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 25.903 -8.791 26.962 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 26.513 -8.235 28.231 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 31.263 -13.603 27.145 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 32.155 -13.740 27.464 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 31.320 -12.812 26.608 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 28.773 -6.825 26.310 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 28.478 -5.999 26.692 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 28.070 -7.445 26.506 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 18.780 -10.528 38.369 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 19.003 -10.946 39.201 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 18.178 -11.141 37.947 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 24.147 -5.471 30.459 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 24.674 -4.698 30.258 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 23.267 -5.246 30.157 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 25.574 -7.808 30.035 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 25.333 -6.883 30.077 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 24.834 -8.267 30.431 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 20.414 -15.775 37.927 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 19.521 -15.436 37.860 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 20.315 -16.630 38.345 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 20.065 -3.970 36.362 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 20.282 -4.902 36.331 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 20.312 -3.696 37.246 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 25.927 -5.519 23.572 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 26.166 -6.267 23.024 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 25.658 -5.907 24.404 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 24.864 -5.949 26.028 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 25.011 -6.469 26.818 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 24.861 -5.042 26.334 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 29.933 -16.382 27.914 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 30.153 -15.910 27.111 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 30.491 -15.987 28.585 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 28.017 -17.573 29.687 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 27.670 -16.955 30.332 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 28.675 -17.072 29.206 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 21.933 -6.082 25.435 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 22.525 -5.383 25.711 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 22.392 -6.515 24.716 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 21.057 -18.636 33.224 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 20.828 -18.577 32.297 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 20.614 -19.428 33.531 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 19.987 -4.696 29.385 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 19.155 -4.223 29.412 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 20.533 -4.186 28.786 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 19.183 -8.273 41.669 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 19.327 -9.175 41.383 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 18.410 -7.987 41.181 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 23.524 -7.929 23.801 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 23.588 -8.723 24.332 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 24.177 -8.048 23.112 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 28.876 -6.882 23.537 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 28.608 -6.702 24.438 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 28.670 -7.808 23.406 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 20.015 -11.073 41.089 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 20.423 -11.930 40.968 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 19.755 -11.058 42.010 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 23.962 -12.064 38.463 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 23.344 -11.389 38.744 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 24.306 -11.743 37.630 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 24.302 -14.709 39.546 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 24.452 -15.438 38.943 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 24.304 -13.932 38.987 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 24.714 -16.339 37.038 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 25.250 -15.888 36.386 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 23.862 -16.447 36.616 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 26.296 -10.900 37.278 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 27.047 -11.056 36.705 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 25.957 -10.048 37.002 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 22.780 -13.511 41.457 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 22.013 -14.043 41.247 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 23.459 -13.821 40.858 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 20.961 -15.590 41.162 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 21.172 -16.297 40.551 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 20.849 -16.028 42.006 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 19.210 -6.387 24.854 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 20.124 -6.308 25.127 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 19.217 -7.074 24.187 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 34.604 -13.296 24.556 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 34.701 -12.629 23.876 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 34.464 -14.112 24.074 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 33.852 -15.888 23.673 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 34.462 -16.260 24.310 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 33.015 -16.310 23.869 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 33.484 -14.333 28.639 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 33.764 -15.240 28.764 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 34.243 -13.899 28.250 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 18.407 -14.567 40.328 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 19.326 -14.689 40.564 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 17.957 -15.317 40.717 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 20.685 -18.753 30.518 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 19.908 -18.987 30.010 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 21.216 -19.550 30.526 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 25.265 -18.826 30.331 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 26.139 -18.438 30.301 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 25.129 -19.041 31.254 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 32.175 -18.770 27.673 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 31.472 -18.156 27.463 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 31.730 -19.608 27.804 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 19.423 -3.007 27.219 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 18.738 -3.045 26.551 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 19.426 -2.094 27.507 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 20.643 -18.239 40.035 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 20.277 -19.004 40.478 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 21.556 -18.210 40.322 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 18.209 0.596 -1.025 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 17.544 0.350 -0.382 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 17.766 1.218 -1.602 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 20.643 0.617 2.323 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 20.277 -0.148 2.766 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 21.556 0.646 2.610 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 17.936 2.971 12.162 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 18.567 2.942 12.882 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 18.386 2.546 11.432 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 18.245 1.858 9.487 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 17.320 2.067 9.357 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 18.699 2.342 8.797 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 20.685 0.103 11.662 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 19.908 -0.131 11.154 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 21.216 -0.694 11.670 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 19.522 -0.099 7.465 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 19.961 0.512 6.874 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 18.888 0.439 7.939 0.00 0.00 WAT1 END