REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:14 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 5.648 -2.398 -3.657 1.00 72.53 ATOM 2 CB MET 1 4.355 -1.217 -2.422 1.00 4.43 ATOM 3 HB1 MET 1 3.871 -1.322 -1.459 1.00 37.26 ATOM 4 HB2 MET 1 3.607 -0.934 -3.153 1.00 21.32 ATOM 5 CG MET 1 5.386 -0.104 -2.322 1.00 64.12 ATOM 6 HG1 MET 1 6.150 -0.252 -3.075 1.00 37.26 ATOM 7 HG2 MET 1 5.839 -0.140 -1.343 1.00 20.32 ATOM 8 SD MET 1 4.668 1.532 -2.560 1.00 54.41 ATOM 9 CE MET 1 3.507 1.594 -1.197 1.00 71.34 ATOM 10 HE1 MET 1 2.792 0.790 -1.296 1.00 73.34 ATOM 11 HE2 MET 1 2.988 2.541 -1.209 1.00 42.30 ATOM 12 HE3 MET 1 4.041 1.488 -0.264 1.00 74.20 ATOM 13 C MET 1 5.676 -3.205 -1.673 1.00 3.22 ATOM 14 O MET 1 5.126 -3.326 -0.579 1.00 61.42 ATOM 15 N MET 1 3.896 -3.440 -3.351 1.00 2.15 ATOM 16 HT1 MET 1 3.268 -3.755 -2.579 1.00 37.26 ATOM 17 HT2 MET 1 4.326 -4.265 -3.797 1.00 37.26 ATOM 18 HT3 MET 1 3.320 -2.949 -4.069 1.00 37.26 ATOM 19 CA MET 1 4.946 -2.562 -2.848 1.00 4.23 ATOM 20 N GLY 2 6.919 -3.615 -1.907 1.00 22.43 ATOM 21 HN GLY 2 7.319 -3.497 -2.798 1.00 37.26 ATOM 22 CA GLY 2 7.703 -4.241 -0.858 1.00 64.22 ATOM 23 HA1 GLY 2 7.435 -3.823 0.105 1.00 37.26 ATOM 24 HA2 GLY 2 8.747 -4.031 -1.041 1.00 40.01 ATOM 25 C GLY 2 7.511 -5.744 -0.809 1.00 12.04 ATOM 26 O GLY 2 6.699 -6.248 -0.032 1.00 53.11 ATOM 27 N HIS 3 8.258 -6.463 -1.641 1.00 1.44 ATOM 28 HN HIS 3 8.868 -6.008 -2.263 1.00 37.26 ATOM 29 CA HIS 3 8.165 -7.917 -1.689 1.00 72.42 ATOM 30 HA HIS 3 7.564 -8.268 -0.857 1.00 75.45 ATOM 31 CB HIS 3 7.506 -8.364 -2.995 1.00 12.04 ATOM 32 HB1 HIS 3 7.627 -9.434 -3.117 1.00 37.26 ATOM 33 HB2 HIS 3 7.981 -7.859 -3.822 1.00 33.31 ATOM 34 CG HIS 3 6.039 -8.065 -3.058 1.00 65.41 ATOM 35 ND1 HIS 3 5.533 -6.880 -3.549 1.00 23.31 ATOM 36 HD1 HIS 3 6.062 -6.132 -3.896 1.00 63.13 ATOM 37 CD2 HIS 3 4.968 -8.807 -2.691 1.00 3.35 ATOM 38 HD2 HIS 3 4.992 -9.800 -2.264 1.00 60.24 ATOM 39 CE1 HIS 3 4.214 -6.905 -3.479 1.00 4.11 ATOM 40 HE1 HIS 3 3.546 -6.127 -3.807 1.00 53.44 ATOM 41 NE2 HIS 3 3.846 -8.063 -2.962 1.00 21.30 ATOM 42 HE2 HIS 3 2.921 -8.378 -2.884 1.00 37.26 ATOM 43 C HIS 3 9.545 -8.555 -1.558 1.00 73.01 ATOM 44 O HIS 3 10.018 -9.230 -2.473 1.00 54.23 ATOM 45 N HIS 4 10.186 -8.336 -0.415 1.00 22.14 ATOM 46 HN HIS 4 9.766 -7.782 0.283 1.00 37.26 ATOM 47 CA HIS 4 11.512 -8.889 -0.164 1.00 64.30 ATOM 48 HA HIS 4 11.776 -9.571 -0.964 1.00 40.44 ATOM 49 CB HIS 4 12.553 -7.771 -0.112 1.00 43.43 ATOM 50 HB1 HIS 4 13.502 -8.170 0.227 1.00 37.26 ATOM 51 HB2 HIS 4 12.221 -7.012 0.580 1.00 42.40 ATOM 52 CG HIS 4 12.790 -7.111 -1.436 1.00 65.52 ATOM 53 ND1 HIS 4 14.009 -7.136 -2.081 1.00 52.25 ATOM 54 HD1 HIS 4 14.822 -7.572 -1.752 1.00 61.22 ATOM 55 CD2 HIS 4 11.956 -6.408 -2.237 1.00 61.31 ATOM 56 HD2 HIS 4 10.922 -6.184 -2.040 1.00 51.51 ATOM 57 CE1 HIS 4 13.914 -6.475 -3.221 1.00 41.42 ATOM 58 HE1 HIS 4 14.711 -6.330 -3.935 1.00 54.12 ATOM 59 NE2 HIS 4 12.678 -6.023 -3.340 1.00 24.52 ATOM 60 HE2 HIS 4 12.311 -5.586 -4.137 1.00 37.26 ATOM 61 C HIS 4 11.533 -9.681 1.140 1.00 4.53 ATOM 62 O HIS 4 12.491 -9.601 1.911 1.00 35.22 ATOM 63 N HIS 5 10.472 -10.443 1.382 1.00 55.13 ATOM 64 HN HIS 5 9.745 -10.491 0.717 1.00 37.26 ATOM 65 CA HIS 5 10.368 -11.249 2.593 1.00 3.52 ATOM 66 HA HIS 5 10.775 -10.678 3.422 1.00 73.43 ATOM 67 CB HIS 5 8.904 -11.568 2.895 1.00 31.30 ATOM 68 HB1 HIS 5 8.849 -12.230 3.750 1.00 37.26 ATOM 69 HB2 HIS 5 8.467 -12.060 2.038 1.00 70.13 ATOM 70 CG HIS 5 8.078 -10.358 3.206 1.00 24.13 ATOM 71 ND1 HIS 5 8.516 -9.339 4.026 1.00 34.44 ATOM 72 HD1 HIS 5 9.385 -9.300 4.478 1.00 54.42 ATOM 73 CD2 HIS 5 6.836 -10.006 2.801 1.00 40.42 ATOM 74 HD2 HIS 5 6.191 -10.574 2.145 1.00 60.42 ATOM 75 CE1 HIS 5 7.577 -8.414 4.113 1.00 2.43 ATOM 76 HE1 HIS 5 7.641 -7.501 4.687 1.00 55.02 ATOM 77 NE2 HIS 5 6.548 -8.794 3.378 1.00 13.53 ATOM 78 HE2 HIS 5 5.682 -8.336 3.339 1.00 37.26 ATOM 79 C HIS 5 11.166 -12.542 2.455 1.00 13.12 ATOM 80 O HIS 5 10.622 -13.582 2.082 1.00 51.23 ATOM 81 N HIS 6 12.458 -12.470 2.758 1.00 0.12 ATOM 82 HN HIS 6 12.841 -11.605 3.039 1.00 37.26 ATOM 83 CA HIS 6 13.331 -13.635 2.668 1.00 74.34 ATOM 84 HA HIS 6 12.772 -14.508 2.988 1.00 10.14 ATOM 85 CB HIS 6 13.786 -13.846 1.224 1.00 64.54 ATOM 86 HB1 HIS 6 12.917 -14.028 0.607 1.00 37.26 ATOM 87 HB2 HIS 6 14.439 -14.706 1.174 1.00 4.13 ATOM 88 CG HIS 6 14.521 -12.674 0.650 1.00 72.03 ATOM 89 ND1 HIS 6 13.994 -11.865 -0.335 1.00 3.44 ATOM 90 HD1 HIS 6 13.113 -11.969 -0.751 1.00 64.43 ATOM 91 CD2 HIS 6 15.748 -12.175 0.929 1.00 72.24 ATOM 92 HD2 HIS 6 16.447 -12.562 1.657 1.00 70.33 ATOM 93 CE1 HIS 6 14.866 -10.920 -0.638 1.00 3.33 ATOM 94 HE1 HIS 6 14.725 -10.143 -1.375 1.00 33.22 ATOM 95 NE2 HIS 6 15.939 -11.085 0.115 1.00 32.51 ATOM 96 HE2 HIS 6 16.775 -10.581 0.026 1.00 37.26 ATOM 97 C HIS 6 14.544 -13.477 3.579 1.00 62.43 ATOM 98 O HIS 6 14.984 -12.361 3.856 1.00 30.12 ATOM 99 N HIS 7 15.081 -14.602 4.042 1.00 53.11 ATOM 100 HN HIS 7 14.686 -15.470 3.795 1.00 37.26 ATOM 101 CA HIS 7 16.244 -14.588 4.922 1.00 33.12 ATOM 102 HA HIS 7 16.629 -13.578 4.994 1.00 35.40 ATOM 103 CB HIS 7 15.854 -15.057 6.324 1.00 11.24 ATOM 104 HB1 HIS 7 16.725 -15.026 6.966 1.00 37.26 ATOM 105 HB2 HIS 7 15.489 -16.073 6.270 1.00 45.12 ATOM 106 CG HIS 7 14.782 -14.224 6.958 1.00 62.31 ATOM 107 ND1 HIS 7 13.486 -14.181 6.488 1.00 5.10 ATOM 108 HD1 HIS 7 13.137 -14.680 5.720 1.00 14.23 ATOM 109 CD2 HIS 7 14.819 -13.401 8.032 1.00 62.22 ATOM 110 HD2 HIS 7 15.681 -13.193 8.651 1.00 64.21 ATOM 111 CE1 HIS 7 12.773 -13.366 7.244 1.00 3.25 ATOM 112 HE1 HIS 7 11.726 -13.137 7.113 1.00 5.20 ATOM 113 NE2 HIS 7 13.558 -12.880 8.189 1.00 45.11 ATOM 114 HE2 HIS 7 13.307 -12.180 8.827 1.00 37.26 ATOM 115 C HIS 7 17.355 -15.474 4.368 1.00 44.24 ATOM 116 O HIS 7 17.121 -16.307 3.491 1.00 13.25 ATOM 117 N HIS 8 18.566 -15.288 4.883 1.00 45.30 ATOM 118 HN HIS 8 18.692 -14.601 5.581 1.00 37.26 ATOM 119 CA HIS 8 19.715 -16.070 4.439 1.00 52.11 ATOM 120 HA HIS 8 19.916 -15.807 3.410 1.00 41.24 ATOM 121 CB HIS 8 20.943 -15.739 5.288 1.00 73.32 ATOM 122 HB1 HIS 8 20.771 -16.055 6.309 1.00 37.26 ATOM 123 HB2 HIS 8 21.102 -14.671 5.272 1.00 20.03 ATOM 124 CG HIS 8 22.200 -16.394 4.803 1.00 13.22 ATOM 125 ND1 HIS 8 23.078 -17.048 5.640 1.00 24.43 ATOM 126 HD1 HIS 8 22.976 -17.150 6.609 1.00 4.14 ATOM 127 CD2 HIS 8 22.723 -16.493 3.559 1.00 71.52 ATOM 128 HD2 HIS 8 22.296 -16.092 2.650 1.00 11.15 ATOM 129 CE1 HIS 8 24.089 -17.521 4.932 1.00 15.11 ATOM 130 HE1 HIS 8 24.928 -18.078 5.322 1.00 2.13 ATOM 131 NE2 HIS 8 23.897 -17.198 3.666 1.00 74.12 ATOM 132 HE2 HIS 8 24.447 -17.504 2.915 1.00 37.26 ATOM 133 C HIS 8 19.416 -17.564 4.515 1.00 64.21 ATOM 134 O HIS 8 19.949 -18.354 3.735 1.00 52.21 ATOM 135 N SER 9 18.563 -17.945 5.460 1.00 74.02 ATOM 136 HN SER 9 18.211 -17.288 6.102 1.00 37.26 ATOM 137 CA SER 9 18.197 -19.345 5.641 1.00 61.14 ATOM 138 HA SER 9 18.235 -19.842 4.678 1.00 25.04 ATOM 139 CB SER 9 19.182 -20.033 6.588 1.00 14.24 ATOM 140 HB1 SER 9 18.861 -21.051 6.772 1.00 37.26 ATOM 141 HB2 SER 9 19.216 -19.494 7.523 1.00 33.41 ATOM 142 OG SER 9 20.485 -20.067 6.033 1.00 72.51 ATOM 143 HG SER 9 20.916 -19.219 6.168 1.00 60.50 ATOM 144 C SER 9 16.778 -19.470 6.185 1.00 15.13 ATOM 145 O SER 9 16.227 -18.518 6.740 1.00 21.34 ATOM 146 N HIS 10 16.190 -20.651 6.022 1.00 34.04 ATOM 147 HN HIS 10 16.681 -21.375 5.564 1.00 37.26 ATOM 148 CA HIS 10 14.834 -20.902 6.498 1.00 72.21 ATOM 149 HA HIS 10 14.161 -20.284 5.914 1.00 21.35 ATOM 150 CB HIS 10 14.466 -22.373 6.300 1.00 14.11 ATOM 151 HB1 HIS 10 13.585 -22.611 6.884 1.00 37.26 ATOM 152 HB2 HIS 10 15.286 -22.992 6.632 1.00 52.44 ATOM 153 CG HIS 10 14.170 -22.730 4.876 1.00 53.10 ATOM 154 ND1 HIS 10 14.593 -21.970 3.806 1.00 14.20 ATOM 155 HD1 HIS 10 15.110 -21.143 3.851 1.00 41.14 ATOM 156 CD2 HIS 10 13.490 -23.774 4.348 1.00 33.51 ATOM 157 HD2 HIS 10 13.017 -24.575 4.899 1.00 52.40 ATOM 158 CE1 HIS 10 14.184 -22.530 2.682 1.00 61.43 ATOM 159 HE1 HIS 10 14.368 -22.155 1.686 1.00 52.54 ATOM 160 NE2 HIS 10 13.513 -23.627 2.983 1.00 71.30 ATOM 161 HE2 HIS 10 13.184 -24.284 2.334 1.00 37.26 ATOM 162 C HIS 10 14.696 -20.524 7.970 1.00 75.43 ATOM 163 O HIS 10 15.620 -20.717 8.759 1.00 13.00 ATOM 164 N MET 11 13.536 -19.985 8.331 1.00 73.23 ATOM 165 HN MET 11 12.833 -19.855 7.650 1.00 37.26 ATOM 166 CA MET 11 13.277 -19.581 9.708 1.00 42.11 ATOM 167 HA MET 11 13.935 -18.748 9.930 1.00 74.24 ATOM 168 CB MET 11 11.823 -19.132 9.866 1.00 61.32 ATOM 169 HB1 MET 11 11.509 -19.296 10.891 1.00 37.26 ATOM 170 HB2 MET 11 11.191 -19.730 9.223 1.00 64.14 ATOM 171 CG MET 11 11.605 -17.659 9.562 1.00 44.12 ATOM 172 HG1 MET 11 12.489 -17.097 9.836 1.00 37.26 ATOM 173 HG2 MET 11 10.775 -17.314 10.160 1.00 33.43 ATOM 174 SD MET 11 11.246 -17.355 7.821 1.00 0.53 ATOM 175 CE MET 11 9.716 -16.431 7.948 1.00 64.31 ATOM 176 HE1 MET 11 8.971 -17.035 8.444 1.00 45.41 ATOM 177 HE2 MET 11 9.369 -16.171 6.959 1.00 24.44 ATOM 178 HE3 MET 11 9.886 -15.529 8.518 1.00 4.33 ATOM 179 C MET 11 13.577 -20.722 10.675 1.00 44.12 ATOM 180 O MET 11 12.991 -21.799 10.579 1.00 64.20 ATOM 181 N ASN 12 14.494 -20.477 11.605 1.00 22.25 ATOM 182 HN ASN 12 14.928 -19.590 11.636 1.00 37.26 ATOM 183 CA ASN 12 14.872 -21.485 12.589 1.00 25.14 ATOM 184 HA ASN 12 15.173 -22.376 12.046 1.00 30.01 ATOM 185 CB ASN 12 16.059 -20.995 13.422 1.00 70.11 ATOM 186 HB1 ASN 12 15.733 -20.210 14.087 1.00 37.26 ATOM 187 HB2 ASN 12 16.813 -20.600 12.755 1.00 45.12 ATOM 188 CG ASN 12 16.685 -22.104 14.245 1.00 63.34 ATOM 189 OD1 ASN 12 16.063 -23.137 14.490 1.00 35.54 ATOM 190 ND2 ASN 12 17.924 -21.894 14.675 1.00 70.40 ATOM 191 HD21 ASN 12 18.372 -21.047 14.453 1.00 64.51 ATOM 192 HD22 ASN 12 18.352 -22.608 15.188 1.00 62.45 ATOM 193 C ASN 12 13.698 -21.820 13.504 1.00 4.54 ATOM 194 O ASN 12 13.219 -20.968 14.252 1.00 13.43 ATOM 195 N SER 13 13.241 -23.066 13.440 1.00 50.14 ATOM 196 HN SER 13 13.673 -23.708 12.827 1.00 37.26 ATOM 197 CA SER 13 12.121 -23.513 14.260 1.00 41.23 ATOM 198 HA SER 13 11.313 -22.813 14.137 1.00 32.31 ATOM 199 CB SER 13 11.650 -24.896 13.807 1.00 24.33 ATOM 200 HB1 SER 13 11.240 -25.445 14.646 1.00 37.26 ATOM 201 HB2 SER 13 12.481 -25.451 13.396 1.00 43.34 ATOM 202 OG SER 13 10.642 -24.793 12.817 1.00 34.34 ATOM 203 HG SER 13 10.445 -25.666 12.469 1.00 42.45 ATOM 204 C SER 13 12.510 -23.552 15.735 1.00 74.45 ATOM 205 O SER 13 11.661 -23.412 16.615 1.00 25.41 ATOM 206 N ALA 14 13.799 -23.744 15.995 1.00 34.54 ATOM 207 HN ALA 14 14.437 -23.864 15.254 1.00 37.26 ATOM 208 CA ALA 14 14.301 -23.801 17.362 1.00 2.24 ATOM 209 HA ALA 14 13.697 -24.498 17.919 1.00 73.03 ATOM 210 CB ALA 14 15.737 -24.304 17.377 1.00 41.45 ATOM 211 HB1 ALA 14 16.349 -23.653 16.775 1.00 11.10 ATOM 212 HB2 ALA 14 15.773 -25.301 16.968 1.00 20.23 ATOM 213 HB3 ALA 14 16.121 -24.317 18.373 1.00 31.00 ATOM 214 C ALA 14 14.210 -22.437 18.038 1.00 53.44 ATOM 215 O ALA 14 14.036 -22.346 19.252 1.00 21.14 ATOM 216 N GLU 15 14.329 -21.378 17.242 1.00 74.32 ATOM 217 HN GLU 15 14.482 -21.505 16.277 1.00 37.26 ATOM 218 CA GLU 15 14.261 -20.019 17.765 1.00 53.24 ATOM 219 HA GLU 15 14.985 -19.928 18.567 1.00 73.42 ATOM 220 CB GLU 15 14.598 -19.009 16.666 1.00 41.30 ATOM 221 HB1 GLU 15 14.158 -18.052 16.926 1.00 37.26 ATOM 222 HB2 GLU 15 14.174 -19.342 15.733 1.00 31.13 ATOM 223 CG GLU 15 16.090 -18.804 16.465 1.00 2.51 ATOM 224 HG1 GLU 15 16.500 -19.669 15.969 1.00 37.26 ATOM 225 HG2 GLU 15 16.563 -18.690 17.432 1.00 74.12 ATOM 226 CD GLU 15 16.404 -17.571 15.639 1.00 14.15 ATOM 227 OE1 GLU 15 15.490 -16.745 15.435 1.00 72.14 ATOM 228 OE2 GLU 15 17.564 -17.432 15.198 1.00 31.44 ATOM 229 C GLU 15 12.876 -19.723 18.334 1.00 22.54 ATOM 230 O GLU 15 12.741 -19.341 19.496 1.00 23.13 ATOM 231 N GLN 16 11.852 -19.904 17.507 1.00 14.42 ATOM 232 HN GLN 16 12.029 -20.205 16.584 1.00 37.26 ATOM 233 CA GLN 16 10.478 -19.655 17.928 1.00 32.22 ATOM 234 HA GLN 16 10.398 -18.616 18.217 1.00 23.15 ATOM 235 CB GLN 16 9.512 -19.920 16.772 1.00 60.30 ATOM 236 HB1 GLN 16 9.756 -19.252 15.959 1.00 37.26 ATOM 237 HB2 GLN 16 8.503 -19.709 17.105 1.00 31.42 ATOM 238 CG GLN 16 9.569 -21.346 16.247 1.00 54.44 ATOM 239 HG1 GLN 16 9.564 -22.042 17.069 1.00 37.26 ATOM 240 HG2 GLN 16 10.483 -21.468 15.688 1.00 63.11 ATOM 241 CD GLN 16 8.392 -21.685 15.352 1.00 24.13 ATOM 242 OE1 GLN 16 7.251 -21.754 15.808 1.00 14.32 ATOM 243 NE2 GLN 16 8.665 -21.900 14.071 1.00 45.44 ATOM 244 HE21 GLN 16 9.589 -21.828 13.757 1.00 51.04 ATOM 245 HE22 GLN 16 7.917 -22.127 13.480 1.00 15.44 ATOM 246 C GLN 16 10.109 -20.527 19.124 1.00 1.43 ATOM 247 O GLN 16 9.273 -20.150 19.946 1.00 32.44 ATOM 248 N THR 17 10.738 -21.694 19.216 1.00 21.31 ATOM 249 HN THR 17 11.376 -21.966 18.518 1.00 37.26 ATOM 250 CA THR 17 10.475 -22.620 20.310 1.00 22.15 ATOM 251 HA THR 17 9.404 -22.775 20.375 1.00 71.21 ATOM 252 CB THR 17 11.141 -23.987 20.062 1.00 12.12 ATOM 253 HB THR 17 12.205 -23.842 19.969 1.00 23.23 ATOM 254 OG1 THR 17 10.641 -24.562 18.850 1.00 44.13 ATOM 255 HG1 THR 17 11.240 -24.366 18.126 1.00 64.42 ATOM 256 CG2 THR 17 10.881 -24.934 21.224 1.00 73.44 ATOM 257 HG21 THR 17 11.437 -24.620 22.092 1.00 74.55 ATOM 258 HG22 THR 17 11.198 -25.920 20.939 1.00 21.14 ATOM 259 HG23 THR 17 9.824 -24.953 21.457 1.00 31.42 ATOM 260 C THR 17 10.973 -22.059 21.637 1.00 3.43 ATOM 261 O THR 17 10.276 -22.121 22.650 1.00 24.42 ATOM 262 N VAL 18 12.183 -21.509 21.625 1.00 44.30 ATOM 263 HN VAL 18 12.686 -21.475 20.778 1.00 37.26 ATOM 264 CA VAL 18 12.774 -20.934 22.828 1.00 42.03 ATOM 265 HA VAL 18 12.894 -21.727 23.556 1.00 41.35 ATOM 266 CB VAL 18 14.160 -20.327 22.537 1.00 32.24 ATOM 267 HB VAL 18 14.046 -19.546 21.797 1.00 4.21 ATOM 268 CG1 VAL 18 14.746 -19.707 23.797 1.00 52.03 ATOM 269 HG11 VAL 18 15.808 -19.536 23.668 1.00 2.44 ATOM 270 HG12 VAL 18 14.589 -20.365 24.637 1.00 34.24 ATOM 271 HG13 VAL 18 14.262 -18.761 23.991 1.00 71.10 ATOM 272 CG2 VAL 18 15.095 -21.384 21.969 1.00 41.54 ATOM 273 HG21 VAL 18 15.707 -21.797 22.756 1.00 25.03 ATOM 274 HG22 VAL 18 15.735 -20.930 21.230 1.00 62.32 ATOM 275 HG23 VAL 18 14.544 -22.181 21.510 1.00 70.42 ATOM 276 C VAL 18 11.874 -19.856 23.421 1.00 32.42 ATOM 277 O VAL 18 11.487 -19.928 24.588 1.00 15.21 ATOM 278 N THR 19 11.543 -18.857 22.610 1.00 54.42 ATOM 279 HN THR 19 11.882 -18.856 21.683 1.00 37.26 ATOM 280 CA THR 19 10.688 -17.763 23.054 1.00 10.21 ATOM 281 HA THR 19 11.149 -17.298 23.911 1.00 72.24 ATOM 282 CB THR 19 10.528 -16.694 21.957 1.00 54.22 ATOM 283 HB THR 19 10.038 -17.140 21.102 1.00 3.34 ATOM 284 OG1 THR 19 11.813 -16.212 21.551 1.00 44.32 ATOM 285 HG1 THR 19 12.288 -15.821 22.297 1.00 53.21 ATOM 286 CG2 THR 19 9.678 -15.533 22.452 1.00 23.01 ATOM 287 HG21 THR 19 10.030 -15.202 23.420 1.00 73.24 ATOM 288 HG22 THR 19 8.646 -15.840 22.528 1.00 73.24 ATOM 289 HG23 THR 19 9.753 -14.716 21.750 1.00 72.31 ATOM 290 C THR 19 9.309 -18.272 23.457 1.00 12.45 ATOM 291 O THR 19 8.706 -17.772 24.408 1.00 63.23 ATOM 292 N TRP 20 8.815 -19.267 22.730 1.00 21.35 ATOM 293 HN TRP 20 9.332 -19.616 21.966 1.00 37.26 ATOM 294 CA TRP 20 7.506 -19.844 23.014 1.00 72.21 ATOM 295 HA TRP 20 6.762 -19.082 22.842 1.00 33.21 ATOM 296 CB TRP 20 7.228 -21.017 22.072 1.00 14.21 ATOM 297 HB1 TRP 20 8.043 -21.716 22.124 1.00 37.26 ATOM 298 HB2 TRP 20 7.144 -20.644 21.063 1.00 2.22 ATOM 299 CG TRP 20 5.960 -21.749 22.393 1.00 12.22 ATOM 300 CD1 TRP 20 4.729 -21.199 22.610 1.00 75.21 ATOM 301 HD1 TRP 20 4.520 -20.140 22.574 1.00 4.22 ATOM 302 CD2 TRP 20 5.800 -23.164 22.536 1.00 62.53 ATOM 303 NE1 TRP 20 3.813 -22.188 22.879 1.00 70.04 ATOM 304 HE1 TRP 20 2.862 -22.046 23.067 1.00 63.02 ATOM 305 CE2 TRP 20 4.445 -23.403 22.838 1.00 1.41 ATOM 306 CE3 TRP 20 6.669 -24.254 22.435 1.00 22.12 ATOM 307 HE3 TRP 20 7.715 -24.115 22.205 1.00 3.21 ATOM 308 CZ2 TRP 20 3.942 -24.685 23.041 1.00 3.14 ATOM 309 HZ2 TRP 20 2.902 -24.861 23.272 1.00 12.04 ATOM 310 CZ3 TRP 20 6.169 -25.526 22.638 1.00 73.24 ATOM 311 HZ3 TRP 20 6.827 -26.380 22.565 1.00 54.45 ATOM 312 CH2 TRP 20 4.816 -25.733 22.937 1.00 34.21 ATOM 313 HH2 TRP 20 4.484 -26.727 23.089 1.00 54.25 ATOM 314 C TRP 20 7.418 -20.308 24.464 1.00 72.55 ATOM 315 O TRP 20 6.441 -20.025 25.158 1.00 31.43 ATOM 316 N LEU 21 8.443 -21.022 24.915 1.00 62.32 ATOM 317 HN LEU 21 9.197 -21.221 24.310 1.00 37.26 ATOM 318 CA LEU 21 8.482 -21.526 26.283 1.00 14.24 ATOM 319 HA LEU 21 7.581 -22.095 26.460 1.00 11.41 ATOM 320 CB LEU 21 9.693 -22.440 26.478 1.00 54.13 ATOM 321 HB1 LEU 21 9.725 -22.746 27.516 1.00 37.26 ATOM 322 HB2 LEU 21 10.583 -21.860 26.267 1.00 21.44 ATOM 323 CG LEU 21 9.726 -23.702 25.615 1.00 3.02 ATOM 324 HG LEU 21 9.629 -23.424 24.579 1.00 22.20 ATOM 325 CD1 LEU 21 11.051 -24.429 25.784 1.00 22.03 ATOM 326 HD11 LEU 21 11.863 -23.772 25.503 1.00 32.42 ATOM 327 HD12 LEU 21 11.068 -25.305 25.150 1.00 24.55 ATOM 328 HD13 LEU 21 11.174 -24.731 26.815 1.00 65.35 ATOM 329 CD2 LEU 21 8.564 -24.619 25.966 1.00 31.24 ATOM 330 HD21 LEU 21 8.614 -24.888 27.012 1.00 22.04 ATOM 331 HD22 LEU 21 8.614 -25.516 25.363 1.00 72.11 ATOM 332 HD23 LEU 21 7.630 -24.115 25.769 1.00 53.31 ATOM 333 C LEU 21 8.531 -20.377 27.285 1.00 5.32 ATOM 334 O LEU 21 7.967 -20.466 28.376 1.00 73.32 ATOM 335 N ILE 22 9.209 -19.298 26.907 1.00 13.00 ATOM 336 HN ILE 22 9.635 -19.277 26.020 1.00 37.26 ATOM 337 CA ILE 22 9.329 -18.130 27.771 1.00 30.21 ATOM 338 HA ILE 22 9.626 -18.463 28.753 1.00 51.45 ATOM 339 CB ILE 22 10.394 -17.149 27.247 1.00 61.23 ATOM 340 HB ILE 22 10.073 -16.785 26.279 1.00 43.55 ATOM 341 CG1 ILE 22 11.741 -17.859 27.094 1.00 2.40 ATOM 342 HG11 ILE 22 11.611 -18.804 26.603 1.00 37.26 ATOM 343 HG12 ILE 22 12.168 -18.036 28.072 1.00 64.13 ATOM 344 CG2 ILE 22 10.521 -15.956 28.182 1.00 51.34 ATOM 345 HG21 ILE 22 10.821 -16.293 29.165 1.00 12.44 ATOM 346 HG22 ILE 22 9.579 -15.434 28.254 1.00 52.02 ATOM 347 HG23 ILE 22 11.258 -15.273 27.801 1.00 73.04 ATOM 348 CD1 ILE 22 12.752 -17.070 26.292 1.00 40.24 ATOM 349 HD11 ILE 22 12.657 -17.329 25.253 1.00 21.33 ATOM 350 HD12 ILE 22 13.737 -17.328 26.619 1.00 3.40 ATOM 351 HD13 ILE 22 12.601 -16.011 26.406 1.00 74.10 ATOM 352 C ILE 22 7.997 -17.398 27.895 1.00 71.43 ATOM 353 O ILE 22 7.497 -17.177 28.998 1.00 0.42 ATOM 354 N THR 23 7.424 -17.026 26.754 1.00 22.01 ATOM 355 HN THR 23 7.876 -17.225 25.902 1.00 37.26 ATOM 356 CA THR 23 6.150 -16.320 26.734 1.00 54.23 ATOM 357 HA THR 23 6.285 -15.367 27.228 1.00 71.34 ATOM 358 CB THR 23 5.679 -16.051 25.292 1.00 43.22 ATOM 359 HB THR 23 6.451 -15.499 24.774 1.00 60.42 ATOM 360 OG1 THR 23 4.477 -15.273 25.306 1.00 44.44 ATOM 361 HG1 THR 23 4.694 -14.347 25.438 1.00 15.13 ATOM 362 CG2 THR 23 5.436 -17.356 24.550 1.00 72.14 ATOM 363 HG21 THR 23 4.689 -17.951 25.052 1.00 51.13 ATOM 364 HG22 THR 23 6.348 -17.888 24.499 1.00 2.43 ATOM 365 HG23 THR 23 5.099 -17.135 23.548 1.00 52.04 ATOM 366 C THR 23 5.072 -17.109 27.469 1.00 40.14 ATOM 367 O THR 23 4.099 -16.538 27.964 1.00 61.32 ATOM 368 N LEU 24 5.251 -18.423 27.537 1.00 60.40 ATOM 369 HN LEU 24 6.014 -18.841 27.082 1.00 37.26 ATOM 370 CA LEU 24 4.293 -19.292 28.213 1.00 5.21 ATOM 371 HA LEU 24 3.293 -18.989 27.924 1.00 25.52 ATOM 372 CB LEU 24 4.512 -20.747 27.796 1.00 73.13 ATOM 373 HB1 LEU 24 4.141 -21.399 28.582 1.00 37.26 ATOM 374 HB2 LEU 24 5.582 -20.906 27.716 1.00 13.04 ATOM 375 CG LEU 24 3.859 -21.173 26.480 1.00 34.34 ATOM 376 HG LEU 24 3.992 -20.391 25.744 1.00 15.55 ATOM 377 CD1 LEU 24 4.517 -22.434 25.941 1.00 12.15 ATOM 378 HD11 LEU 24 3.776 -23.093 25.509 1.00 33.43 ATOM 379 HD12 LEU 24 5.043 -22.947 26.728 1.00 54.35 ATOM 380 HD13 LEU 24 5.225 -22.157 25.175 1.00 12.12 ATOM 381 CD2 LEU 24 2.365 -21.390 26.672 1.00 14.33 ATOM 382 HD21 LEU 24 1.914 -21.647 25.725 1.00 71.01 ATOM 383 HD22 LEU 24 1.911 -20.483 27.046 1.00 24.10 ATOM 384 HD23 LEU 24 2.199 -22.192 27.378 1.00 51.05 ATOM 385 C LEU 24 4.415 -19.162 29.728 1.00 44.40 ATOM 386 O LEU 24 3.459 -19.407 30.461 1.00 14.54 ATOM 387 N GLY 25 5.600 -18.772 30.190 1.00 12.11 ATOM 388 HN GLY 25 6.345 -18.618 29.582 1.00 37.26 ATOM 389 CA GLY 25 5.825 -18.614 31.615 1.00 14.40 ATOM 390 HA1 GLY 25 4.931 -18.226 32.089 1.00 37.26 ATOM 391 HA2 GLY 25 6.625 -17.903 31.758 1.00 74.21 ATOM 392 C GLY 25 6.212 -19.915 32.289 1.00 75.00 ATOM 393 O GLY 25 5.829 -20.169 33.431 1.00 2.34 ATOM 394 N VAL 26 6.971 -20.744 31.580 1.00 44.21 ATOM 395 HN VAL 26 7.254 -20.484 30.679 1.00 37.26 ATOM 396 CA VAL 26 7.410 -22.027 32.116 1.00 11.22 ATOM 397 HA VAL 26 7.057 -22.134 33.137 1.00 22.31 ATOM 398 CB VAL 26 6.852 -23.201 31.290 1.00 42.33 ATOM 399 HB VAL 26 7.360 -24.112 31.581 1.00 11.01 ATOM 400 CG1 VAL 26 5.369 -23.393 31.568 1.00 62.01 ATOM 401 HG11 VAL 26 5.006 -24.244 31.019 1.00 33.23 ATOM 402 HG12 VAL 26 4.823 -22.511 31.264 1.00 23.13 ATOM 403 HG13 VAL 26 5.217 -23.561 32.626 1.00 22.13 ATOM 404 CG2 VAL 26 7.100 -22.972 29.806 1.00 35.22 ATOM 405 HG21 VAL 26 6.766 -23.839 29.254 1.00 44.41 ATOM 406 HG22 VAL 26 8.151 -22.825 29.619 1.00 61.45 ATOM 407 HG23 VAL 26 6.547 -22.109 29.469 1.00 40.44 ATOM 408 C VAL 26 8.931 -22.119 32.147 1.00 43.52 ATOM 409 O VAL 26 9.509 -22.748 33.034 1.00 33.40 ATOM 410 N LEU 27 9.576 -21.486 31.173 1.00 62.13 ATOM 411 HN LEU 27 9.083 -21.023 30.466 1.00 37.26 ATOM 412 CA LEU 27 11.032 -21.495 31.087 1.00 25.25 ATOM 413 HA LEU 27 11.435 -21.990 31.964 1.00 50.24 ATOM 414 CB LEU 27 11.486 -22.277 29.853 1.00 31.14 ATOM 415 HB1 LEU 27 10.912 -21.909 29.016 1.00 37.26 ATOM 416 HB2 LEU 27 11.246 -23.305 29.994 1.00 71.15 ATOM 417 CG LEU 27 12.967 -22.162 29.492 1.00 3.55 ATOM 418 HG LEU 27 13.249 -21.126 29.430 1.00 3.13 ATOM 419 CD1 LEU 27 13.829 -22.817 30.560 1.00 65.31 ATOM 420 HD11 LEU 27 13.586 -23.868 30.632 1.00 73.44 ATOM 421 HD12 LEU 27 13.648 -22.341 31.514 1.00 20.12 ATOM 422 HD13 LEU 27 14.873 -22.708 30.301 1.00 12.44 ATOM 423 CD2 LEU 27 13.235 -22.786 28.131 1.00 54.44 ATOM 424 HD21 LEU 27 14.283 -22.686 27.885 1.00 4.14 ATOM 425 HD22 LEU 27 12.645 -22.280 27.379 1.00 72.33 ATOM 426 HD23 LEU 27 12.967 -23.833 28.150 1.00 10.04 ATOM 427 C LEU 27 11.584 -20.074 31.034 1.00 53.11 ATOM 428 O LEU 27 11.279 -19.315 30.115 1.00 52.41 ATOM 429 N GLU 28 12.398 -19.723 32.024 1.00 2.21 ATOM 430 HN GLU 28 12.603 -20.375 32.737 1.00 37.26 ATOM 431 CA GLU 28 12.993 -18.393 32.088 1.00 51.11 ATOM 432 HA GLU 28 12.197 -17.682 32.261 1.00 64.22 ATOM 433 CB GLU 28 13.989 -18.311 33.246 1.00 3.43 ATOM 434 HB1 GLU 28 13.508 -18.688 34.139 1.00 37.26 ATOM 435 HB2 GLU 28 14.256 -17.275 33.402 1.00 13.42 ATOM 436 CG GLU 28 15.265 -19.101 33.009 1.00 43.41 ATOM 437 HG1 GLU 28 15.874 -18.574 32.289 1.00 37.26 ATOM 438 HG2 GLU 28 15.011 -20.077 32.618 1.00 24.15 ATOM 439 CD GLU 28 16.077 -19.293 34.275 1.00 12.53 ATOM 440 OE1 GLU 28 15.603 -20.010 35.181 1.00 5.00 ATOM 441 OE2 GLU 28 17.186 -18.725 34.360 1.00 10.31 ATOM 442 C GLU 28 13.691 -18.046 30.776 1.00 2.43 ATOM 443 O GLU 28 14.076 -18.931 30.012 1.00 14.20 ATOM 444 N SER 29 13.851 -16.751 30.523 1.00 40.34 ATOM 445 HN SER 29 13.541 -16.087 31.185 1.00 37.26 ATOM 446 CA SER 29 14.499 -16.285 29.302 1.00 72.22 ATOM 447 HA SER 29 14.287 -16.998 28.527 1.00 73.50 ATOM 448 CB SER 29 13.937 -14.923 28.889 1.00 61.43 ATOM 449 HB1 SER 29 13.370 -14.489 29.703 1.00 37.26 ATOM 450 HB2 SER 29 13.299 -15.044 28.041 1.00 35.21 ATOM 451 OG SER 29 14.978 -14.028 28.536 1.00 35.31 ATOM 452 HG SER 29 15.256 -13.531 29.310 1.00 52.14 ATOM 453 C SER 29 16.010 -16.189 29.491 1.00 15.44 ATOM 454 O SER 29 16.517 -16.122 30.611 1.00 45.41 ATOM 455 N PRO 30 16.746 -16.181 28.371 1.00 63.35 ATOM 456 CA PRO 30 18.209 -16.093 28.386 1.00 45.14 ATOM 457 HA PRO 30 18.646 -16.856 29.014 1.00 74.44 ATOM 458 CB PRO 30 18.595 -16.347 26.926 1.00 22.53 ATOM 459 HB1 PRO 30 18.800 -17.395 26.807 1.00 37.26 ATOM 460 HB2 PRO 30 19.472 -15.773 26.649 1.00 72.04 ATOM 461 CG PRO 30 17.398 -15.937 26.141 1.00 73.42 ATOM 462 HG1 PRO 30 17.343 -16.487 25.221 1.00 37.26 ATOM 463 HG2 PRO 30 17.437 -14.877 25.941 1.00 33.50 ATOM 464 CD PRO 30 16.208 -16.258 27.002 1.00 34.42 ATOM 465 HD1 PRO 30 15.856 -17.255 26.786 1.00 37.26 ATOM 466 HD2 PRO 30 15.431 -15.541 26.828 1.00 43.13 ATOM 467 C PRO 30 18.703 -14.722 28.836 1.00 53.15 ATOM 468 O PRO 30 17.907 -13.830 29.131 1.00 72.22 ATOM 469 N LYS 31 20.020 -14.560 28.885 1.00 5.55 ATOM 470 HN LYS 31 20.611 -15.308 28.628 1.00 37.26 ATOM 471 CA LYS 31 20.621 -13.296 29.298 1.00 61.53 ATOM 472 HA LYS 31 19.911 -12.767 29.925 1.00 10.02 ATOM 473 CB LYS 31 21.902 -13.553 30.095 1.00 60.42 ATOM 474 HB1 LYS 31 22.767 -13.502 29.442 1.00 37.26 ATOM 475 HB2 LYS 31 21.853 -14.552 30.511 1.00 62.32 ATOM 476 CG LYS 31 22.098 -12.594 31.256 1.00 24.20 ATOM 477 HG1 LYS 31 22.583 -13.126 32.062 1.00 37.26 ATOM 478 HG2 LYS 31 21.134 -12.243 31.604 1.00 43.22 ATOM 479 CD LYS 31 22.932 -11.390 30.850 1.00 74.10 ATOM 480 HD1 LYS 31 22.494 -10.507 31.295 1.00 37.26 ATOM 481 HD2 LYS 31 22.928 -11.280 29.772 1.00 61.34 ATOM 482 CE LYS 31 24.371 -11.524 31.322 1.00 43.12 ATOM 483 HE1 LYS 31 25.021 -11.349 30.477 1.00 37.26 ATOM 484 HE2 LYS 31 24.557 -12.519 31.706 1.00 41.25 ATOM 485 NZ LYS 31 24.702 -10.532 32.382 1.00 31.13 ATOM 486 HZ1 LYS 31 24.576 -9.562 32.023 1.00 5.43 ATOM 487 HZ2 LYS 31 25.691 -10.650 32.682 1.00 4.14 ATOM 488 HZ3 LYS 31 24.085 -10.667 33.210 1.00 11.41 ATOM 489 C LYS 31 20.930 -12.420 28.088 1.00 72.32 ATOM 490 O LYS 31 20.975 -11.194 28.191 1.00 20.33 ATOM 491 N LYS 32 21.140 -13.057 26.941 1.00 43.44 ATOM 492 HN LYS 32 21.130 -14.040 26.914 1.00 37.26 ATOM 493 CA LYS 32 21.442 -12.336 25.709 1.00 11.25 ATOM 494 HA LYS 32 20.956 -11.368 25.741 1.00 13.14 ATOM 495 CB LYS 32 22.952 -12.124 25.575 1.00 15.53 ATOM 496 HB1 LYS 32 23.141 -11.487 24.728 1.00 37.26 ATOM 497 HB2 LYS 32 23.429 -13.083 25.408 1.00 20.21 ATOM 498 CG LYS 32 23.587 -11.485 26.798 1.00 11.40 ATOM 499 HG1 LYS 32 23.401 -12.107 27.657 1.00 37.26 ATOM 500 HG2 LYS 32 23.154 -10.509 26.960 1.00 21.15 ATOM 501 CD LYS 32 25.093 -11.357 26.642 1.00 70.44 ATOM 502 HD1 LYS 32 25.500 -12.292 26.278 1.00 37.26 ATOM 503 HD2 LYS 32 25.523 -11.135 27.608 1.00 63.52 ATOM 504 CE LYS 32 25.461 -10.245 25.672 1.00 54.31 ATOM 505 HE1 LYS 32 24.759 -10.210 24.853 1.00 37.26 ATOM 506 HE2 LYS 32 26.445 -10.452 25.280 1.00 3.13 ATOM 507 NZ LYS 32 25.492 -8.914 26.340 1.00 35.32 ATOM 508 HZ1 LYS 32 24.557 -8.688 26.740 1.00 63.31 ATOM 509 HZ2 LYS 32 25.745 -8.177 25.651 1.00 13.24 ATOM 510 HZ3 LYS 32 26.197 -8.910 27.106 1.00 51.34 ATOM 511 C LYS 32 20.914 -13.091 24.494 1.00 40.23 ATOM 512 O LYS 32 20.169 -14.063 24.628 1.00 45.41 ATOM 513 N THR 33 21.305 -12.639 23.306 1.00 1.22 ATOM 514 HN THR 33 21.863 -11.832 23.246 1.00 37.26 ATOM 515 CA THR 33 20.872 -13.272 22.067 1.00 53.41 ATOM 516 HA THR 33 19.793 -13.179 22.010 1.00 61.22 ATOM 517 CB THR 33 21.478 -12.571 20.836 1.00 13.44 ATOM 518 HB THR 33 22.556 -12.653 20.883 1.00 31.25 ATOM 519 OG1 THR 33 21.118 -11.185 20.835 1.00 14.44 ATOM 520 HG1 THR 33 21.767 -10.682 20.336 1.00 41.02 ATOM 521 CG2 THR 33 20.998 -13.225 19.550 1.00 71.32 ATOM 522 HG21 THR 33 19.924 -13.359 19.580 1.00 22.40 ATOM 523 HG22 THR 33 21.479 -14.183 19.423 1.00 53.14 ATOM 524 HG23 THR 33 21.252 -12.589 18.715 1.00 61.23 ATOM 525 C THR 33 21.257 -14.746 22.039 1.00 60.24 ATOM 526 O THR 33 22.384 -15.109 22.377 1.00 70.43 ATOM 527 N ILE 34 20.315 -15.591 21.633 1.00 63.22 ATOM 528 HN ILE 34 19.433 -15.241 21.362 1.00 37.26 ATOM 529 CA ILE 34 20.558 -17.027 21.559 1.00 41.51 ATOM 530 HA ILE 34 21.192 -17.313 22.393 1.00 52.20 ATOM 531 CB ILE 34 19.245 -17.825 21.654 1.00 73.21 ATOM 532 HB ILE 34 18.611 -17.541 20.826 1.00 63.42 ATOM 533 CG1 ILE 34 18.522 -17.506 22.964 1.00 54.41 ATOM 534 HG11 ILE 34 17.596 -18.064 23.005 1.00 37.26 ATOM 535 HG12 ILE 34 18.296 -16.450 23.000 1.00 40.20 ATOM 536 CG2 ILE 34 19.523 -19.317 21.547 1.00 60.14 ATOM 537 HG21 ILE 34 20.386 -19.587 22.140 1.00 30.24 ATOM 538 HG22 ILE 34 19.705 -19.561 20.520 1.00 54.54 ATOM 539 HG23 ILE 34 18.663 -19.876 21.893 1.00 3.13 ATOM 540 CD1 ILE 34 19.326 -17.849 24.198 1.00 64.22 ATOM 541 HD11 ILE 34 19.787 -16.953 24.579 1.00 21.24 ATOM 542 HD12 ILE 34 20.095 -18.575 23.981 1.00 23.11 ATOM 543 HD13 ILE 34 18.664 -18.254 24.943 1.00 23.22 ATOM 544 C ILE 34 21.273 -17.397 20.264 1.00 72.22 ATOM 545 O ILE 34 20.635 -17.724 19.263 1.00 65.52 ATOM 546 N SER 35 22.601 -17.345 20.291 1.00 34.24 ATOM 547 HN SER 35 23.056 -17.085 21.128 1.00 37.26 ATOM 548 CA SER 35 23.403 -17.674 19.119 1.00 50.41 ATOM 549 HA SER 35 23.003 -17.134 18.270 1.00 62.40 ATOM 550 CB SER 35 24.856 -17.243 19.332 1.00 74.31 ATOM 551 HB1 SER 35 25.400 -18.006 19.875 1.00 37.26 ATOM 552 HB2 SER 35 24.876 -16.323 19.900 1.00 45.12 ATOM 553 OG SER 35 25.505 -17.010 18.094 1.00 22.32 ATOM 554 HG SER 35 25.787 -17.846 17.715 1.00 74.42 ATOM 555 C SER 35 23.342 -19.169 18.820 1.00 1.53 ATOM 556 O SER 35 23.647 -19.604 17.710 1.00 53.12 ATOM 557 N ASP 36 22.947 -19.949 19.820 1.00 75.12 ATOM 558 HN ASP 36 22.766 -19.571 20.707 1.00 37.26 ATOM 559 CA ASP 36 22.844 -21.396 19.666 1.00 41.33 ATOM 560 HA ASP 36 22.877 -21.647 18.614 1.00 61.22 ATOM 561 CB ASP 36 24.026 -22.087 20.346 1.00 65.52 ATOM 562 HB1 ASP 36 24.014 -21.860 21.403 1.00 37.26 ATOM 563 HB2 ASP 36 24.945 -21.718 19.915 1.00 72.22 ATOM 564 CG ASP 36 23.992 -23.594 20.176 1.00 14.44 ATOM 565 OD1 ASP 36 23.467 -24.063 19.145 1.00 70.04 ATOM 566 OD2 ASP 36 24.490 -24.303 21.075 1.00 13.02 ATOM 567 C ASP 36 21.532 -21.913 20.248 1.00 4.33 ATOM 568 O ASP 36 21.495 -22.509 21.325 1.00 43.02 ATOM 569 N PRO 37 20.429 -21.679 19.522 1.00 2.12 ATOM 570 CA PRO 37 19.095 -22.112 19.948 1.00 70.22 ATOM 571 HA PRO 37 18.861 -21.780 20.942 1.00 10.31 ATOM 572 CB PRO 37 18.164 -21.434 18.940 1.00 74.32 ATOM 573 HB1 PRO 37 17.829 -20.491 19.344 1.00 37.26 ATOM 574 HB2 PRO 37 17.305 -22.059 18.726 1.00 44.41 ATOM 575 CG PRO 37 19.004 -21.226 17.728 1.00 44.13 ATOM 576 HG1 PRO 37 18.645 -20.374 17.170 1.00 37.26 ATOM 577 HG2 PRO 37 18.985 -22.113 17.118 1.00 24.11 ATOM 578 CD PRO 37 20.399 -20.974 18.230 1.00 63.03 ATOM 579 HD1 PRO 37 20.569 -19.921 18.359 1.00 37.26 ATOM 580 HD2 PRO 37 21.115 -21.391 17.540 1.00 5.34 ATOM 581 C PRO 37 18.931 -23.627 19.889 1.00 63.10 ATOM 582 O PRO 37 18.235 -24.217 20.714 1.00 21.23 ATOM 583 N GLU 38 19.578 -24.250 18.908 1.00 33.15 ATOM 584 HN GLU 38 20.112 -23.727 18.266 1.00 37.26 ATOM 585 CA GLU 38 19.502 -25.697 18.743 1.00 3.13 ATOM 586 HA GLU 38 18.462 -25.964 18.630 1.00 51.42 ATOM 587 CB GLU 38 20.271 -26.131 17.493 1.00 10.53 ATOM 588 HB1 GLU 38 20.387 -27.210 17.506 1.00 37.26 ATOM 589 HB2 GLU 38 21.250 -25.674 17.510 1.00 21.02 ATOM 590 CG GLU 38 19.587 -25.743 16.193 1.00 10.31 ATOM 591 HG1 GLU 38 19.683 -24.676 16.057 1.00 37.26 ATOM 592 HG2 GLU 38 18.539 -26.004 16.252 1.00 1.41 ATOM 593 CD GLU 38 20.188 -26.439 14.988 1.00 73.34 ATOM 594 OE1 GLU 38 19.475 -27.241 14.349 1.00 60.41 ATOM 595 OE2 GLU 38 21.371 -26.182 14.683 1.00 42.51 ATOM 596 C GLU 38 20.058 -26.414 19.970 1.00 64.30 ATOM 597 O GLU 38 19.528 -27.439 20.396 1.00 24.35 ATOM 598 N GLY 39 21.132 -25.867 20.533 1.00 54.03 ATOM 599 HN GLY 39 21.535 -25.056 20.152 1.00 37.26 ATOM 600 CA GLY 39 21.743 -26.467 21.704 1.00 72.40 ATOM 601 HA1 GLY 39 22.792 -26.209 21.712 1.00 37.26 ATOM 602 HA2 GLY 39 21.655 -27.546 21.657 1.00 41.15 ATOM 603 C GLY 39 21.120 -25.980 22.997 1.00 34.41 ATOM 604 O GLY 39 20.938 -26.754 23.937 1.00 33.42 ATOM 605 N PHE 40 20.793 -24.693 23.047 1.00 73.34 ATOM 606 HN PHE 40 20.974 -24.115 22.268 1.00 37.26 ATOM 607 CA PHE 40 20.189 -24.103 24.235 1.00 32.15 ATOM 608 HA PHE 40 20.892 -24.199 25.051 1.00 62.54 ATOM 609 CB PHE 40 19.901 -22.618 24.004 1.00 65.22 ATOM 610 HB1 PHE 40 19.328 -22.512 23.091 1.00 37.26 ATOM 611 HB2 PHE 40 20.842 -22.095 23.887 1.00 31.11 ATOM 612 CG PHE 40 19.141 -21.972 25.127 1.00 61.43 ATOM 613 CD1 PHE 40 19.786 -21.606 26.297 1.00 40.01 ATOM 614 HD1 PHE 40 20.847 -21.786 26.401 1.00 11.41 ATOM 615 CD2 PHE 40 17.781 -21.732 25.012 1.00 23.41 ATOM 616 HD2 PHE 40 17.267 -22.013 24.108 1.00 73.24 ATOM 617 CE1 PHE 40 19.089 -21.011 27.332 1.00 24.21 ATOM 618 HE1 PHE 40 19.603 -20.731 28.239 1.00 65.20 ATOM 619 CE2 PHE 40 17.080 -21.138 26.044 1.00 54.44 ATOM 620 HE2 PHE 40 16.024 -20.960 25.948 1.00 31.42 ATOM 621 CZ PHE 40 17.734 -20.778 27.205 1.00 1.34 ATOM 622 HZ PHE 40 17.187 -20.313 28.012 1.00 41.45 ATOM 623 C PHE 40 18.900 -24.830 24.609 1.00 40.13 ATOM 624 O PHE 40 18.576 -24.977 25.788 1.00 52.01 ATOM 625 N LEU 41 18.169 -25.282 23.596 1.00 14.12 ATOM 626 HN LEU 41 18.470 -25.130 22.670 1.00 37.26 ATOM 627 CA LEU 41 16.914 -25.993 23.816 1.00 21.43 ATOM 628 HA LEU 41 16.339 -25.450 24.558 1.00 31.40 ATOM 629 CB LEU 41 16.109 -26.062 22.517 1.00 24.22 ATOM 630 HB1 LEU 41 15.440 -26.917 22.555 1.00 37.26 ATOM 631 HB2 LEU 41 16.817 -26.230 21.716 1.00 43.53 ATOM 632 CG LEU 41 15.283 -24.823 22.173 1.00 10.41 ATOM 633 HG LEU 41 15.862 -23.942 22.396 1.00 44.40 ATOM 634 CD1 LEU 41 14.948 -24.799 20.690 1.00 62.12 ATOM 635 HD11 LEU 41 14.240 -24.026 20.493 1.00 23.11 ATOM 636 HD12 LEU 41 14.529 -25.750 20.389 1.00 1.53 ATOM 637 HD13 LEU 41 15.849 -24.613 20.140 1.00 33.22 ATOM 638 CD2 LEU 41 14.012 -24.780 23.009 1.00 3.33 ATOM 639 HD21 LEU 41 14.269 -24.769 24.059 1.00 61.24 ATOM 640 HD22 LEU 41 13.406 -25.650 22.798 1.00 65.33 ATOM 641 HD23 LEU 41 13.451 -23.886 22.771 1.00 3.43 ATOM 642 C LEU 41 17.172 -27.401 24.343 1.00 31.34 ATOM 643 O LEU 41 16.557 -27.831 25.319 1.00 11.41 ATOM 644 N GLN 42 18.086 -28.113 23.692 1.00 21.33 ATOM 645 HN GLN 42 18.541 -27.718 22.910 1.00 37.26 ATOM 646 CA GLN 42 18.426 -29.472 24.097 1.00 31.21 ATOM 647 HA GLN 42 17.547 -30.088 23.966 1.00 32.25 ATOM 648 CB GLN 42 19.552 -30.022 23.219 1.00 13.13 ATOM 649 HB1 GLN 42 20.446 -29.429 23.371 1.00 37.26 ATOM 650 HB2 GLN 42 19.250 -29.928 22.185 1.00 40.32 ATOM 651 CG GLN 42 19.868 -31.486 23.481 1.00 12.41 ATOM 652 HG1 GLN 42 20.151 -31.941 22.542 1.00 37.26 ATOM 653 HG2 GLN 42 18.986 -31.988 23.860 1.00 44.25 ATOM 654 CD GLN 42 21.012 -31.670 24.458 1.00 11.24 ATOM 655 OE1 GLN 42 22.157 -31.326 24.163 1.00 30.15 ATOM 656 NE2 GLN 42 20.708 -32.215 25.631 1.00 53.44 ATOM 657 HE21 GLN 42 19.776 -32.471 25.816 1.00 41.03 ATOM 658 HE22 GLN 42 21.435 -32.342 26.275 1.00 72.02 ATOM 659 C GLN 42 18.841 -29.516 25.564 1.00 45.52 ATOM 660 O GLN 42 18.497 -30.448 26.289 1.00 0.03 ATOM 661 N ALA 43 19.584 -28.501 25.994 1.00 41.45 ATOM 662 HN ALA 43 19.836 -27.781 25.368 1.00 37.26 ATOM 663 CA ALA 43 20.045 -28.422 27.374 1.00 22.21 ATOM 664 HA ALA 43 20.371 -29.408 27.686 1.00 72.42 ATOM 665 CB ALA 43 21.240 -27.486 27.479 1.00 21.10 ATOM 666 HB1 ALA 43 22.021 -27.828 26.816 1.00 2.11 ATOM 667 HB2 ALA 43 21.610 -27.480 28.495 1.00 23.51 ATOM 668 HB3 ALA 43 20.945 -26.485 27.197 1.00 71.53 ATOM 669 C ALA 43 18.926 -27.961 28.301 1.00 1.53 ATOM 670 O ALA 43 18.775 -28.473 29.410 1.00 0.44 ATOM 671 N SER 44 18.144 -26.990 27.840 1.00 43.41 ATOM 672 HN SER 44 18.315 -26.611 26.945 1.00 37.26 ATOM 673 CA SER 44 17.041 -26.456 28.630 1.00 3.44 ATOM 674 HA SER 44 17.428 -26.160 29.597 1.00 31.25 ATOM 675 CB SER 44 16.443 -25.226 27.945 1.00 44.42 ATOM 676 HB1 SER 44 16.370 -25.405 26.881 1.00 37.26 ATOM 677 HB2 SER 44 17.080 -24.373 28.123 1.00 1.20 ATOM 678 OG SER 44 15.150 -24.940 28.447 1.00 34.15 ATOM 679 HG SER 44 15.202 -24.746 29.385 1.00 42.21 ATOM 680 C SER 44 15.960 -27.512 28.838 1.00 64.12 ATOM 681 O SER 44 15.214 -27.470 29.817 1.00 42.01 ATOM 682 N LEU 45 15.882 -28.459 27.909 1.00 31.15 ATOM 683 HN LEU 45 16.489 -28.448 27.136 1.00 37.26 ATOM 684 CA LEU 45 14.892 -29.528 27.989 1.00 65.22 ATOM 685 HA LEU 45 14.128 -29.257 28.708 1.00 1.33 ATOM 686 CB LEU 45 14.219 -29.728 26.630 1.00 15.12 ATOM 687 HB1 LEU 45 13.412 -30.436 26.755 1.00 37.26 ATOM 688 HB2 LEU 45 14.949 -30.164 25.968 1.00 73.41 ATOM 689 CG LEU 45 13.667 -28.468 25.963 1.00 15.40 ATOM 690 HG LEU 45 14.201 -27.596 26.314 1.00 54.03 ATOM 691 CD1 LEU 45 13.856 -28.535 24.456 1.00 73.15 ATOM 692 HD11 LEU 45 14.877 -28.755 24.214 1.00 61.21 ATOM 693 HD12 LEU 45 13.578 -27.592 24.012 1.00 12.33 ATOM 694 HD13 LEU 45 13.231 -29.319 24.056 1.00 33.45 ATOM 695 CD2 LEU 45 12.197 -28.281 26.310 1.00 13.41 ATOM 696 HD21 LEU 45 12.083 -28.214 27.383 1.00 63.24 ATOM 697 HD22 LEU 45 11.626 -29.120 25.941 1.00 35.43 ATOM 698 HD23 LEU 45 11.830 -27.370 25.856 1.00 62.33 ATOM 699 C LEU 45 15.536 -30.833 28.447 1.00 42.04 ATOM 700 O LEU 45 14.980 -31.914 28.253 1.00 35.14 ATOM 701 N LYS 46 16.712 -30.725 29.057 1.00 53.45 ATOM 702 HN LYS 46 17.110 -29.845 29.210 1.00 37.26 ATOM 703 CA LYS 46 17.431 -31.895 29.546 1.00 11.30 ATOM 704 HA LYS 46 17.443 -32.636 28.753 1.00 41.45 ATOM 705 CB LYS 46 18.870 -31.520 29.906 1.00 24.21 ATOM 706 HB1 LYS 46 18.912 -31.126 30.914 1.00 37.26 ATOM 707 HB2 LYS 46 19.204 -30.755 29.222 1.00 21.05 ATOM 708 CG LYS 46 19.848 -32.676 29.783 1.00 44.21 ATOM 709 HG1 LYS 46 20.163 -32.749 28.752 1.00 37.26 ATOM 710 HG2 LYS 46 19.362 -33.592 30.068 1.00 20.24 ATOM 711 CD LYS 46 21.077 -32.461 30.651 1.00 61.32 ATOM 712 HD1 LYS 46 21.265 -31.401 30.772 1.00 37.26 ATOM 713 HD2 LYS 46 21.925 -32.918 30.162 1.00 24.12 ATOM 714 CE LYS 46 20.910 -33.099 32.021 1.00 34.14 ATOM 715 HE1 LYS 46 21.162 -34.146 31.947 1.00 37.26 ATOM 716 HE2 LYS 46 19.882 -32.998 32.347 1.00 21.44 ATOM 717 NZ LYS 46 21.790 -32.464 33.040 1.00 3.43 ATOM 718 HZ1 LYS 46 21.651 -32.922 33.963 1.00 35.51 ATOM 719 HZ2 LYS 46 21.564 -31.452 33.134 1.00 25.03 ATOM 720 HZ3 LYS 46 22.790 -32.562 32.766 1.00 42.21 ATOM 721 C LYS 46 16.731 -32.494 30.762 1.00 62.34 ATOM 722 O LYS 46 16.310 -33.651 30.739 1.00 13.22 ATOM 723 N ASP 47 16.610 -31.701 31.820 1.00 50.51 ATOM 724 HN ASP 47 16.977 -30.787 31.775 1.00 37.26 ATOM 725 CA ASP 47 15.959 -32.152 33.044 1.00 73.41 ATOM 726 HA ASP 47 16.522 -32.988 33.435 1.00 23.04 ATOM 727 CB ASP 47 15.952 -31.033 34.086 1.00 33.23 ATOM 728 HB1 ASP 47 16.971 -30.826 34.380 1.00 37.26 ATOM 729 HB2 ASP 47 15.395 -31.347 34.955 1.00 64.30 ATOM 730 CG ASP 47 15.344 -29.750 33.554 1.00 64.10 ATOM 731 OD1 ASP 47 16.055 -29.008 32.844 1.00 14.12 ATOM 732 OD2 ASP 47 14.159 -29.488 33.848 1.00 41.41 ATOM 733 C ASP 47 14.531 -32.611 32.762 1.00 23.25 ATOM 734 O ASP 47 14.085 -33.636 33.276 1.00 22.13 ATOM 735 N GLY 48 13.819 -31.844 31.943 1.00 12.31 ATOM 736 HN GLY 48 14.216 -31.044 31.537 1.00 37.26 ATOM 737 CA GLY 48 12.449 -32.187 31.609 1.00 61.14 ATOM 738 HA1 GLY 48 12.322 -33.262 31.611 1.00 37.26 ATOM 739 HA2 GLY 48 12.242 -31.822 30.613 1.00 71.33 ATOM 740 C GLY 48 11.447 -31.567 32.561 1.00 14.34 ATOM 741 O GLY 48 10.252 -31.511 32.268 1.00 44.32 ATOM 742 N VAL 49 11.932 -31.100 33.708 1.00 62.34 ATOM 743 HN VAL 49 12.886 -31.130 33.878 1.00 37.26 ATOM 744 CA VAL 49 11.070 -30.481 34.707 1.00 22.35 ATOM 745 HA VAL 49 10.423 -31.249 35.111 1.00 43.22 ATOM 746 CB VAL 49 11.893 -29.879 35.862 1.00 53.10 ATOM 747 HB VAL 49 12.546 -29.120 35.465 1.00 20.21 ATOM 748 CG1 VAL 49 10.978 -29.214 36.879 1.00 30.24 ATOM 749 HG11 VAL 49 10.201 -29.903 37.181 1.00 61.23 ATOM 750 HG12 VAL 49 10.530 -28.330 36.451 1.00 1.31 ATOM 751 HG13 VAL 49 11.552 -28.924 37.750 1.00 30.24 ATOM 752 CG2 VAL 49 12.748 -30.950 36.522 1.00 43.15 ATOM 753 HG21 VAL 49 13.434 -31.368 35.808 1.00 52.24 ATOM 754 HG22 VAL 49 12.112 -31.729 36.902 1.00 52.34 ATOM 755 HG23 VAL 49 13.308 -30.515 37.339 1.00 21.33 ATOM 756 C VAL 49 10.207 -29.388 34.088 1.00 4.30 ATOM 757 O VAL 49 9.086 -29.140 34.533 1.00 45.34 ATOM 758 N VAL 50 10.737 -28.736 33.058 1.00 43.22 ATOM 759 HN VAL 50 11.653 -28.941 32.762 1.00 37.26 ATOM 760 CA VAL 50 10.015 -27.669 32.375 1.00 2.11 ATOM 761 HA VAL 50 9.446 -27.111 33.110 1.00 72.40 ATOM 762 CB VAL 50 10.982 -26.694 31.678 1.00 1.51 ATOM 763 HB VAL 50 11.563 -27.246 30.951 1.00 72.41 ATOM 764 CG1 VAL 50 10.209 -25.608 30.944 1.00 22.31 ATOM 765 HG11 VAL 50 10.908 -24.936 30.488 1.00 25.53 ATOM 766 HG12 VAL 50 9.589 -25.063 31.640 1.00 13.52 ATOM 767 HG13 VAL 50 9.591 -26.041 30.173 1.00 12.44 ATOM 768 CG2 VAL 50 11.944 -26.085 32.688 1.00 53.35 ATOM 769 HG21 VAL 50 11.388 -25.540 33.439 1.00 11.22 ATOM 770 HG22 VAL 50 12.621 -25.409 32.183 1.00 41.24 ATOM 771 HG23 VAL 50 12.516 -26.869 33.164 1.00 74.01 ATOM 772 C VAL 50 9.048 -28.234 31.341 1.00 31.21 ATOM 773 O VAL 50 7.953 -27.706 31.145 1.00 52.41 ATOM 774 N LEU 51 9.459 -29.312 30.682 1.00 12.00 ATOM 775 HN LEU 51 10.356 -29.679 30.859 1.00 37.26 ATOM 776 CA LEU 51 8.628 -29.951 29.667 1.00 3.01 ATOM 777 HA LEU 51 8.530 -29.260 28.850 1.00 52.22 ATOM 778 CB LEU 51 9.282 -31.248 29.188 1.00 72.32 ATOM 779 HB1 LEU 51 8.503 -31.964 28.942 1.00 37.26 ATOM 780 HB2 LEU 51 9.859 -31.659 29.999 1.00 61.13 ATOM 781 CG LEU 51 10.199 -31.128 27.970 1.00 1.24 ATOM 782 HG LEU 51 10.986 -30.421 28.189 1.00 70.32 ATOM 783 CD1 LEU 51 10.847 -32.467 27.655 1.00 33.33 ATOM 784 HD11 LEU 51 11.476 -32.368 26.784 1.00 3.33 ATOM 785 HD12 LEU 51 10.084 -33.209 27.465 1.00 25.04 ATOM 786 HD13 LEU 51 11.446 -32.772 28.496 1.00 2.41 ATOM 787 CD2 LEU 51 9.423 -30.612 26.767 1.00 24.21 ATOM 788 HD21 LEU 51 9.104 -29.598 26.946 1.00 75.44 ATOM 789 HD22 LEU 51 8.557 -31.236 26.594 1.00 42.34 ATOM 790 HD23 LEU 51 10.054 -30.633 25.889 1.00 34.11 ATOM 791 C LEU 51 7.233 -30.242 30.209 1.00 15.55 ATOM 792 O LEU 51 6.229 -29.935 29.565 1.00 50.51 ATOM 793 N CYS 52 7.177 -30.832 31.398 1.00 74.52 ATOM 794 HN CYS 52 8.017 -31.058 31.865 1.00 37.26 ATOM 795 CA CYS 52 5.903 -31.163 32.028 1.00 24.21 ATOM 796 HA CYS 52 5.347 -31.796 31.348 1.00 4.15 ATOM 797 CB CYS 52 6.140 -31.908 33.343 1.00 73.24 ATOM 798 HB1 CYS 52 5.337 -31.697 34.040 1.00 37.26 ATOM 799 HB2 CYS 52 7.072 -31.577 33.774 1.00 2.50 ATOM 800 SG CYS 52 6.231 -33.705 33.166 1.00 22.45 ATOM 801 HG CYS 52 7.237 -33.985 32.351 1.00 42.40 ATOM 802 C CYS 52 5.080 -29.905 32.283 1.00 1.14 ATOM 803 O CYS 52 3.894 -29.851 31.959 1.00 33.12 ATOM 804 N ARG 53 5.717 -28.896 32.868 1.00 43.42 ATOM 805 HN ARG 53 6.667 -29.002 33.114 1.00 37.26 ATOM 806 CA ARG 53 5.043 -27.639 33.170 1.00 41.35 ATOM 807 HA ARG 53 4.296 -27.835 33.928 1.00 64.45 ATOM 808 CB ARG 53 6.046 -26.612 33.700 1.00 34.21 ATOM 809 HB1 ARG 53 5.635 -25.615 33.590 1.00 37.26 ATOM 810 HB2 ARG 53 6.951 -26.678 33.114 1.00 71.40 ATOM 811 CG ARG 53 6.396 -26.805 35.166 1.00 1.34 ATOM 812 HG1 ARG 53 6.545 -27.859 35.363 1.00 37.26 ATOM 813 HG2 ARG 53 5.582 -26.436 35.771 1.00 31.41 ATOM 814 CD ARG 53 7.665 -26.054 35.539 1.00 11.12 ATOM 815 HD1 ARG 53 7.417 -25.006 35.629 1.00 37.26 ATOM 816 HD2 ARG 53 8.405 -26.184 34.761 1.00 42.04 ATOM 817 NE ARG 53 8.229 -26.525 36.801 1.00 13.25 ATOM 818 HE ARG 53 7.897 -27.379 37.165 1.00 31.32 ATOM 819 CZ ARG 53 9.165 -25.869 37.478 1.00 64.32 ATOM 820 NH1 ARG 53 9.640 -24.721 37.016 1.00 65.04 ATOM 821 HH11 ARG 53 9.314 -24.327 36.160 1.00 13.22 ATOM 822 HH12 ARG 53 10.344 -24.233 37.536 1.00 10.25 ATOM 823 NH2 ARG 53 9.628 -26.362 38.619 1.00 25.15 ATOM 824 HH21 ARG 53 9.274 -27.230 38.973 1.00 34.42 ATOM 825 HH22 ARG 53 10.334 -25.869 39.132 1.00 64.34 ATOM 826 C ARG 53 4.341 -27.087 31.932 1.00 62.52 ATOM 827 O ARG 53 3.213 -26.600 32.010 1.00 11.43 ATOM 828 N LEU 54 5.016 -27.168 30.790 1.00 1.14 ATOM 829 HN LEU 54 5.923 -27.556 30.788 1.00 37.26 ATOM 830 CA LEU 54 4.458 -26.677 29.535 1.00 11.33 ATOM 831 HA LEU 54 4.298 -25.615 29.627 1.00 21.23 ATOM 832 CB LEU 54 5.435 -26.930 28.386 1.00 3.31 ATOM 833 HB1 LEU 54 5.845 -27.917 28.500 1.00 37.26 ATOM 834 HB2 LEU 54 6.242 -26.216 28.480 1.00 55.04 ATOM 835 CG LEU 54 4.856 -26.819 26.975 1.00 33.44 ATOM 836 HG LEU 54 4.141 -27.613 26.815 1.00 21.52 ATOM 837 CD1 LEU 54 4.133 -25.493 26.798 1.00 74.43 ATOM 838 HD11 LEU 54 4.592 -24.739 27.416 1.00 33.23 ATOM 839 HD12 LEU 54 3.102 -25.607 27.087 1.00 33.04 ATOM 840 HD13 LEU 54 4.171 -25.181 25.763 1.00 62.13 ATOM 841 CD2 LEU 54 5.954 -26.974 25.934 1.00 43.32 ATOM 842 HD21 LEU 54 5.514 -27.293 25.008 1.00 32.21 ATOM 843 HD22 LEU 54 6.674 -27.716 26.254 1.00 14.23 ATOM 844 HD23 LEU 54 6.453 -26.037 25.782 1.00 5.33 ATOM 845 C LEU 54 3.120 -27.345 29.236 1.00 13.32 ATOM 846 O LEU 54 2.117 -26.671 28.998 1.00 53.34 ATOM 847 N LEU 55 3.111 -28.673 29.253 1.00 73.04 ATOM 848 HN LEU 55 3.948 -29.158 29.453 1.00 37.26 ATOM 849 CA LEU 55 1.895 -29.433 28.985 1.00 33.34 ATOM 850 HA LEU 55 1.556 -29.186 27.988 1.00 11.03 ATOM 851 CB LEU 55 2.184 -30.934 29.050 1.00 75.11 ATOM 852 HB1 LEU 55 2.588 -31.149 30.031 1.00 37.26 ATOM 853 HB2 LEU 55 2.947 -31.159 28.315 1.00 24.12 ATOM 854 CG LEU 55 0.990 -31.858 28.808 1.00 35.34 ATOM 855 HG LEU 55 0.201 -31.619 29.506 1.00 3.24 ATOM 856 CD1 LEU 55 0.442 -31.667 27.402 1.00 24.24 ATOM 857 HD11 LEU 55 0.042 -30.668 27.306 1.00 54.45 ATOM 858 HD12 LEU 55 -0.343 -32.386 27.214 1.00 55.03 ATOM 859 HD13 LEU 55 1.230 -31.804 26.690 1.00 62.02 ATOM 860 CD2 LEU 55 1.384 -33.310 29.036 1.00 23.23 ATOM 861 HD21 LEU 55 0.588 -33.813 29.564 1.00 55.03 ATOM 862 HD22 LEU 55 2.287 -33.371 29.618 1.00 53.24 ATOM 863 HD23 LEU 55 1.549 -33.811 28.090 1.00 32.42 ATOM 864 C LEU 55 0.797 -29.072 29.981 1.00 52.13 ATOM 865 O LEU 55 -0.390 -29.176 29.674 1.00 73.00 ATOM 866 N GLU 56 1.203 -28.645 31.173 1.00 75.15 ATOM 867 HN GLU 56 2.160 -28.619 31.383 1.00 37.26 ATOM 868 CA GLU 56 0.252 -28.267 32.212 1.00 43.12 ATOM 869 HA GLU 56 -0.553 -28.994 32.219 1.00 20.11 ATOM 870 CB GLU 56 0.937 -28.254 33.580 1.00 22.41 ATOM 871 HB1 GLU 56 0.501 -27.470 34.190 1.00 37.26 ATOM 872 HB2 GLU 56 1.987 -28.044 33.455 1.00 2.43 ATOM 873 CG GLU 56 0.815 -29.568 34.334 1.00 64.23 ATOM 874 HG1 GLU 56 1.707 -30.145 34.152 1.00 37.26 ATOM 875 HG2 GLU 56 -0.047 -30.119 33.981 1.00 14.30 ATOM 876 CD GLU 56 0.668 -29.371 35.830 1.00 53.11 ATOM 877 OE1 GLU 56 -0.279 -28.671 36.246 1.00 21.11 ATOM 878 OE2 GLU 56 1.500 -29.917 36.585 1.00 75.24 ATOM 879 C GLU 56 -0.354 -26.897 31.922 1.00 13.00 ATOM 880 O GLU 56 -1.477 -26.604 32.333 1.00 74.22 ATOM 881 N ARG 57 0.397 -26.062 31.212 1.00 3.33 ATOM 882 HN ARG 57 1.294 -26.335 30.929 1.00 37.26 ATOM 883 CA ARG 57 -0.065 -24.722 30.869 1.00 63.32 ATOM 884 HA ARG 57 -0.388 -24.249 31.782 1.00 61.11 ATOM 885 CB ARG 57 1.068 -23.917 30.230 1.00 63.23 ATOM 886 HB1 ARG 57 1.064 -24.062 29.157 1.00 37.26 ATOM 887 HB2 ARG 57 2.015 -24.273 30.616 1.00 14.33 ATOM 888 CG ARG 57 0.985 -22.425 30.504 1.00 53.41 ATOM 889 HG1 ARG 57 0.027 -22.057 30.165 1.00 37.26 ATOM 890 HG2 ARG 57 1.775 -21.926 29.963 1.00 2.21 ATOM 891 CD ARG 57 1.136 -22.121 31.986 1.00 31.13 ATOM 892 HD1 ARG 57 2.006 -22.639 32.370 1.00 37.26 ATOM 893 HD2 ARG 57 0.255 -22.466 32.505 1.00 74.44 ATOM 894 NE ARG 57 1.295 -20.692 32.239 1.00 50.41 ATOM 895 HE ARG 57 1.347 -20.088 31.461 1.00 71.24 ATOM 896 CZ ARG 57 1.375 -20.165 33.456 1.00 44.23 ATOM 897 NH1 ARG 57 1.312 -20.946 34.525 1.00 3.33 ATOM 898 HH11 ARG 57 1.204 -21.936 34.440 1.00 14.33 ATOM 899 HH12 ARG 57 1.373 -20.540 35.440 1.00 3.45 ATOM 900 NH2 ARG 57 1.520 -18.854 33.604 1.00 33.14 ATOM 901 HH21 ARG 57 1.569 -18.259 32.799 1.00 31.34 ATOM 902 HH22 ARG 57 1.580 -18.454 34.521 1.00 11.33 ATOM 903 C ARG 57 -1.257 -24.785 29.919 1.00 60.44 ATOM 904 O ARG 57 -2.314 -24.216 30.193 1.00 12.01 ATOM 905 N LEU 58 -1.079 -25.480 28.801 1.00 75.55 ATOM 906 HN LEU 58 -0.230 -25.963 28.671 1.00 37.26 ATOM 907 CA LEU 58 -2.140 -25.618 27.809 1.00 73.04 ATOM 908 HA LEU 58 -2.669 -24.675 27.736 1.00 22.44 ATOM 909 CB LEU 58 -1.545 -25.947 26.439 1.00 41.25 ATOM 910 HB1 LEU 58 -2.285 -25.713 25.685 1.00 37.26 ATOM 911 HB2 LEU 58 -1.355 -27.016 26.403 1.00 52.33 ATOM 912 CG LEU 58 -0.243 -25.228 26.082 1.00 12.13 ATOM 913 HG LEU 58 0.469 -25.336 26.882 1.00 41.12 ATOM 914 CD1 LEU 58 0.384 -25.843 24.841 1.00 54.24 ATOM 915 HD11 LEU 58 0.133 -25.264 23.966 1.00 71.05 ATOM 916 HD12 LEU 58 0.043 -26.862 24.704 1.00 53.30 ATOM 917 HD13 LEU 58 1.458 -25.848 24.959 1.00 72.33 ATOM 918 CD2 LEU 58 -0.494 -23.741 25.875 1.00 75.51 ATOM 919 HD21 LEU 58 -1.193 -23.598 25.062 1.00 5.34 ATOM 920 HD22 LEU 58 0.436 -23.246 25.639 1.00 65.22 ATOM 921 HD23 LEU 58 -0.904 -23.313 26.779 1.00 44.43 ATOM 922 C LEU 58 -3.132 -26.702 28.218 1.00 23.34 ATOM 923 O LEU 58 -4.344 -26.537 28.074 1.00 2.04 ATOM 924 N LEU 59 -2.609 -27.811 28.732 1.00 54.35 ATOM 925 HN LEU 59 -1.633 -27.903 28.820 1.00 37.26 ATOM 926 CA LEU 59 -3.449 -28.922 29.165 1.00 24.42 ATOM 927 HA LEU 59 -4.483 -28.682 28.990 1.00 51.33 ATOM 928 CB LEU 59 -3.105 -30.186 28.374 1.00 42.40 ATOM 929 HB1 LEU 59 -3.536 -31.038 28.886 1.00 37.26 ATOM 930 HB2 LEU 59 -2.033 -30.302 28.373 1.00 64.33 ATOM 931 CG LEU 59 -3.590 -30.222 26.924 1.00 22.43 ATOM 932 HG LEU 59 -3.143 -29.402 26.381 1.00 45.53 ATOM 933 CD1 LEU 59 -3.163 -31.518 26.251 1.00 10.24 ATOM 934 HD11 LEU 59 -3.575 -32.362 26.787 1.00 52.41 ATOM 935 HD12 LEU 59 -2.086 -31.584 26.249 1.00 60.42 ATOM 936 HD13 LEU 59 -3.520 -31.533 25.230 1.00 52.32 ATOM 937 CD2 LEU 59 -5.102 -30.061 26.863 1.00 3.45 ATOM 938 HD21 LEU 59 -5.577 -30.801 27.493 1.00 23.35 ATOM 939 HD22 LEU 59 -5.441 -30.192 25.843 1.00 61.02 ATOM 940 HD23 LEU 59 -5.377 -29.074 27.197 1.00 55.05 ATOM 941 C LEU 59 -3.279 -29.182 30.659 1.00 74.24 ATOM 942 O LEU 59 -2.656 -30.158 31.077 1.00 4.33 ATOM 943 N PRO 60 -3.849 -28.291 31.483 1.00 53.21 ATOM 944 CA PRO 60 -3.778 -28.404 32.943 1.00 44.33 ATOM 945 HA PRO 60 -2.754 -28.494 33.280 1.00 12.15 ATOM 946 CB PRO 60 -4.356 -27.073 33.430 1.00 33.13 ATOM 947 HB1 PRO 60 -3.554 -26.371 33.593 1.00 37.26 ATOM 948 HB2 PRO 60 -4.907 -27.207 34.354 1.00 24.02 ATOM 949 CG PRO 60 -5.247 -26.620 32.326 1.00 51.15 ATOM 950 HG1 PRO 60 -5.313 -25.542 32.326 1.00 37.26 ATOM 951 HG2 PRO 60 -6.228 -27.057 32.443 1.00 24.53 ATOM 952 CD PRO 60 -4.608 -27.104 31.053 1.00 32.24 ATOM 953 HD1 PRO 60 -3.951 -26.344 30.667 1.00 37.26 ATOM 954 HD2 PRO 60 -5.368 -27.358 30.331 1.00 2.14 ATOM 955 C PRO 60 -4.603 -29.570 33.475 1.00 23.41 ATOM 956 O PRO 60 -5.821 -29.609 33.309 1.00 10.51 ATOM 957 N GLY 61 -3.930 -30.521 34.117 1.00 60.13 ATOM 958 HN GLY 61 -2.960 -30.430 34.253 1.00 37.26 ATOM 959 CA GLY 61 -4.618 -31.676 34.664 1.00 43.11 ATOM 960 HA1 GLY 61 -5.692 -31.550 34.605 1.00 37.26 ATOM 961 HA2 GLY 61 -4.345 -31.771 35.704 1.00 43.13 ATOM 962 C GLY 61 -4.243 -32.963 33.956 1.00 30.04 ATOM 963 O GLY 61 -4.964 -33.958 34.037 1.00 72.11 ATOM 964 N THR 62 -3.112 -32.945 33.259 1.00 65.35 ATOM 965 HN THR 62 -2.563 -32.136 33.223 1.00 37.26 ATOM 966 CA THR 62 -2.644 -34.118 32.531 1.00 24.43 ATOM 967 HA THR 62 -3.454 -34.838 32.468 1.00 63.53 ATOM 968 CB THR 62 -2.211 -33.755 31.098 1.00 22.43 ATOM 969 HB THR 62 -1.179 -33.424 31.104 1.00 71.24 ATOM 970 OG1 THR 62 -3.022 -32.687 30.597 1.00 2.14 ATOM 971 HG1 THR 62 -3.956 -32.937 30.585 1.00 63.25 ATOM 972 CG2 THR 62 -2.325 -34.960 30.177 1.00 61.41 ATOM 973 HG21 THR 62 -2.016 -34.680 29.181 1.00 30.51 ATOM 974 HG22 THR 62 -3.350 -35.302 30.152 1.00 41.13 ATOM 975 HG23 THR 62 -1.689 -35.755 30.539 1.00 13.21 ATOM 976 C THR 62 -1.474 -34.781 33.251 1.00 53.03 ATOM 977 O THR 62 -1.363 -36.007 33.275 1.00 20.11 ATOM 978 N ILE 63 -0.606 -33.963 33.836 1.00 64.33 ATOM 979 HN ILE 63 -0.747 -32.992 33.796 1.00 37.26 ATOM 980 CA ILE 63 0.554 -34.471 34.557 1.00 24.43 ATOM 981 HA ILE 63 0.983 -35.284 33.977 1.00 54.24 ATOM 982 CB ILE 63 1.632 -33.384 34.727 1.00 21.54 ATOM 983 HB ILE 63 1.252 -32.620 35.393 1.00 41.44 ATOM 984 CG1 ILE 63 1.957 -32.742 33.377 1.00 11.14 ATOM 985 HG11 ILE 63 2.735 -32.003 33.513 1.00 37.26 ATOM 986 HG12 ILE 63 1.079 -32.252 32.987 1.00 12.23 ATOM 987 CG2 ILE 63 2.886 -33.975 35.354 1.00 21.43 ATOM 988 HG21 ILE 63 2.688 -34.238 36.382 1.00 52.23 ATOM 989 HG22 ILE 63 3.687 -33.247 35.328 1.00 74.35 ATOM 990 HG23 ILE 63 3.191 -34.860 34.813 1.00 1.14 ATOM 991 CD1 ILE 63 2.438 -33.730 32.338 1.00 73.11 ATOM 992 HD11 ILE 63 2.847 -33.183 31.507 1.00 73.54 ATOM 993 HD12 ILE 63 1.608 -34.330 31.998 1.00 72.43 ATOM 994 HD13 ILE 63 3.203 -34.372 32.746 1.00 21.01 ATOM 995 C ILE 63 0.159 -34.999 35.932 1.00 13.34 ATOM 996 O ILE 63 -0.057 -34.226 36.865 1.00 1.13 ATOM 997 N GLU 64 0.067 -36.320 36.050 1.00 50.23 ATOM 998 HN GLU 64 0.258 -36.890 35.267 1.00 37.26 ATOM 999 CA GLU 64 -0.302 -36.950 37.312 1.00 62.11 ATOM 1000 HA GLU 64 -1.210 -36.483 37.673 1.00 53.02 ATOM 1001 CB GLU 64 -0.570 -38.442 37.103 1.00 24.13 ATOM 1002 HB1 GLU 64 0.270 -38.875 36.579 1.00 37.26 ATOM 1003 HB2 GLU 64 -1.455 -38.545 36.489 1.00 21.24 ATOM 1004 CG GLU 64 -0.771 -39.211 38.398 1.00 25.22 ATOM 1005 HG1 GLU 64 -1.261 -38.573 39.123 1.00 37.26 ATOM 1006 HG2 GLU 64 0.196 -39.505 38.778 1.00 22.34 ATOM 1007 CD GLU 64 -1.618 -40.455 38.212 1.00 2.05 ATOM 1008 OE1 GLU 64 -1.114 -41.563 38.493 1.00 1.34 ATOM 1009 OE2 GLU 64 -2.784 -40.321 37.786 1.00 22.14 ATOM 1010 C GLU 64 0.795 -36.760 38.356 1.00 70.12 ATOM 1011 O GLU 64 0.526 -36.721 39.556 1.00 35.05 ATOM 1012 N LYS 65 2.034 -36.643 37.889 1.00 14.03 ATOM 1013 HN LYS 65 2.201 -36.710 36.921 1.00 37.26 ATOM 1014 CA LYS 65 3.173 -36.456 38.780 1.00 33.41 ATOM 1015 HA LYS 65 2.949 -35.628 39.442 1.00 33.23 ATOM 1016 CB LYS 65 3.399 -37.714 39.623 1.00 51.25 ATOM 1017 HB1 LYS 65 3.410 -38.573 38.967 1.00 37.26 ATOM 1018 HB2 LYS 65 2.573 -37.814 40.314 1.00 31.01 ATOM 1019 CG LYS 65 4.701 -37.696 40.404 1.00 64.43 ATOM 1020 HG1 LYS 65 4.962 -36.675 40.655 1.00 37.26 ATOM 1021 HG2 LYS 65 5.477 -38.121 39.782 1.00 33.32 ATOM 1022 CD LYS 65 4.590 -38.496 41.691 1.00 64.00 ATOM 1023 HD1 LYS 65 4.006 -39.392 41.515 1.00 37.26 ATOM 1024 HD2 LYS 65 4.102 -37.890 42.438 1.00 33.42 ATOM 1025 CE LYS 65 5.959 -38.907 42.212 1.00 41.40 ATOM 1026 HE1 LYS 65 6.385 -39.622 41.529 1.00 37.26 ATOM 1027 HE2 LYS 65 5.836 -39.367 43.181 1.00 74.11 ATOM 1028 NZ LYS 65 6.875 -37.740 42.345 1.00 13.32 ATOM 1029 HZ1 LYS 65 7.147 -37.380 41.409 1.00 22.24 ATOM 1030 HZ2 LYS 65 7.737 -38.026 42.851 1.00 70.53 ATOM 1031 HZ3 LYS 65 6.417 -36.973 42.882 1.00 32.24 ATOM 1032 C LYS 65 4.435 -36.128 37.988 1.00 34.43 ATOM 1033 O LYS 65 4.675 -36.695 36.922 1.00 25.03 ATOM 1034 N VAL 66 5.238 -35.211 38.517 1.00 10.13 ATOM 1035 HN VAL 66 4.995 -34.781 39.370 1.00 37.26 ATOM 1036 CA VAL 66 6.477 -34.810 37.861 1.00 14.42 ATOM 1037 HA VAL 66 6.667 -35.479 37.027 1.00 3.40 ATOM 1038 CB VAL 66 6.383 -33.372 37.316 1.00 73.21 ATOM 1039 HB VAL 66 5.423 -33.251 36.835 1.00 3.44 ATOM 1040 CG1 VAL 66 6.477 -32.363 38.450 1.00 30.34 ATOM 1041 HG11 VAL 66 5.982 -32.742 39.336 1.00 12.21 ATOM 1042 HG12 VAL 66 5.992 -31.448 38.144 1.00 60.55 ATOM 1043 HG13 VAL 66 7.510 -32.151 38.676 1.00 42.43 ATOM 1044 CG2 VAL 66 7.468 -33.124 36.279 1.00 21.13 ATOM 1045 HG21 VAL 66 7.554 -33.971 35.619 1.00 44.24 ATOM 1046 HG22 VAL 66 8.418 -32.959 36.769 1.00 11.31 ATOM 1047 HG23 VAL 66 7.216 -32.251 35.716 1.00 3.40 ATOM 1048 C VAL 66 7.660 -34.902 38.818 1.00 62.34 ATOM 1049 O VAL 66 7.487 -34.922 40.036 1.00 32.54 ATOM 1050 N TYR 67 8.863 -34.958 38.257 1.00 23.14 ATOM 1051 HN TYR 67 8.949 -34.981 37.279 1.00 37.26 ATOM 1052 CA TYR 67 10.077 -35.051 39.060 1.00 12.34 ATOM 1053 HA TYR 67 9.816 -35.223 40.089 1.00 55.24 ATOM 1054 CB TYR 67 10.934 -36.228 38.593 1.00 62.01 ATOM 1055 HB1 TYR 67 11.857 -36.245 39.160 1.00 37.26 ATOM 1056 HB2 TYR 67 11.168 -36.095 37.545 1.00 11.21 ATOM 1057 CG TYR 67 10.265 -37.572 38.769 1.00 75.23 ATOM 1058 CD1 TYR 67 10.413 -38.574 37.818 1.00 24.41 ATOM 1059 HD1 TYR 67 11.010 -38.381 36.951 1.00 11.14 ATOM 1060 CD2 TYR 67 9.483 -37.840 39.886 1.00 25.23 ATOM 1061 HD2 TYR 67 9.353 -37.087 40.646 1.00 62.03 ATOM 1062 CE1 TYR 67 9.803 -39.804 37.974 1.00 13.43 ATOM 1063 HE1 TYR 67 9.930 -40.572 37.235 1.00 50.21 ATOM 1064 CE2 TYR 67 8.870 -39.067 40.052 1.00 62.14 ATOM 1065 HE2 TYR 67 8.286 -39.260 40.923 1.00 13.30 ATOM 1066 CZ TYR 67 9.032 -40.045 39.093 1.00 64.23 ATOM 1067 OH TYR 67 8.424 -41.269 39.253 1.00 54.22 ATOM 1068 HH TYR 67 7.477 -41.186 39.101 1.00 0.51 ATOM 1069 C TYR 67 10.882 -33.757 38.981 1.00 23.44 ATOM 1070 O TYR 67 11.834 -33.635 38.210 1.00 1.33 ATOM 1071 N PRO 68 10.493 -32.768 39.799 1.00 33.22 ATOM 1072 CA PRO 68 11.165 -31.466 39.843 1.00 73.23 ATOM 1073 HA PRO 68 11.232 -31.024 38.864 1.00 61.41 ATOM 1074 CB PRO 68 10.245 -30.622 40.729 1.00 44.13 ATOM 1075 HB1 PRO 68 9.549 -30.081 40.106 1.00 37.26 ATOM 1076 HB2 PRO 68 10.818 -29.919 41.323 1.00 0.01 ATOM 1077 CG PRO 68 9.534 -31.610 41.587 1.00 71.33 ATOM 1078 HG1 PRO 68 8.569 -31.219 41.875 1.00 37.26 ATOM 1079 HG2 PRO 68 10.127 -31.831 42.462 1.00 42.43 ATOM 1080 CD PRO 68 9.366 -32.845 40.745 1.00 44.23 ATOM 1081 HD1 PRO 68 8.433 -32.804 40.242 1.00 37.26 ATOM 1082 HD2 PRO 68 9.429 -33.723 41.368 1.00 55.40 ATOM 1083 C PRO 68 12.559 -31.554 40.453 1.00 4.20 ATOM 1084 O PRO 68 13.396 -30.678 40.238 1.00 2.44 ATOM 1085 N GLU 69 12.802 -32.617 41.214 1.00 51.33 ATOM 1086 HN GLU 69 12.097 -33.280 41.381 1.00 37.26 ATOM 1087 CA GLU 69 14.096 -32.817 41.855 1.00 61.11 ATOM 1088 HA GLU 69 14.820 -32.133 41.430 1.00 2.24 ATOM 1089 CB GLU 69 13.999 -32.521 43.353 1.00 43.30 ATOM 1090 HB1 GLU 69 13.941 -31.450 43.486 1.00 37.26 ATOM 1091 HB2 GLU 69 14.894 -32.883 43.846 1.00 43.23 ATOM 1092 CG GLU 69 12.784 -33.143 44.019 1.00 15.42 ATOM 1093 HG1 GLU 69 12.729 -34.190 43.759 1.00 37.26 ATOM 1094 HG2 GLU 69 11.899 -32.640 43.661 1.00 14.35 ATOM 1095 CD GLU 69 12.823 -33.026 45.531 1.00 62.45 ATOM 1096 OE1 GLU 69 11.766 -33.217 46.167 1.00 31.25 ATOM 1097 OE2 GLU 69 13.910 -32.745 46.076 1.00 3.42 ATOM 1098 C GLU 69 14.596 -34.243 41.639 1.00 55.24 ATOM 1099 O GLU 69 14.622 -35.064 42.555 1.00 34.14 ATOM 1100 N PRO 70 15.001 -34.545 40.396 1.00 2.04 ATOM 1101 CA PRO 70 15.507 -35.871 40.029 1.00 2.05 ATOM 1102 HA PRO 70 14.807 -36.645 40.300 1.00 50.21 ATOM 1103 CB PRO 70 15.620 -35.798 38.505 1.00 71.23 ATOM 1104 HB1 PRO 70 14.714 -36.183 38.061 1.00 37.26 ATOM 1105 HB2 PRO 70 16.461 -36.379 38.166 1.00 44.23 ATOM 1106 CG PRO 70 15.788 -34.348 38.206 1.00 21.40 ATOM 1107 HG1 PRO 70 15.400 -34.128 37.223 1.00 37.26 ATOM 1108 HG2 PRO 70 16.832 -34.079 38.267 1.00 54.53 ATOM 1109 CD PRO 70 14.998 -33.615 39.254 1.00 32.34 ATOM 1110 HD1 PRO 70 14.001 -33.426 38.911 1.00 37.26 ATOM 1111 HD2 PRO 70 15.493 -32.690 39.504 1.00 12.02 ATOM 1112 C PRO 70 16.868 -36.164 40.651 1.00 65.31 ATOM 1113 O PRO 70 17.722 -35.282 40.744 1.00 41.04 ATOM 1114 N ARG 71 17.065 -37.409 41.075 1.00 53.44 ATOM 1115 HN ARG 71 16.336 -38.066 41.005 1.00 37.26 ATOM 1116 CA ARG 71 18.323 -37.817 41.688 1.00 75.41 ATOM 1117 HA ARG 71 18.984 -36.965 41.762 1.00 40.05 ATOM 1118 CB ARG 71 18.074 -38.367 43.094 1.00 61.24 ATOM 1119 HB1 ARG 71 19.023 -38.618 43.549 1.00 37.26 ATOM 1120 HB2 ARG 71 17.473 -39.263 43.020 1.00 42.24 ATOM 1121 CG ARG 71 17.351 -37.393 44.009 1.00 34.44 ATOM 1122 HG1 ARG 71 17.230 -37.850 44.980 1.00 37.26 ATOM 1123 HG2 ARG 71 16.381 -37.172 43.589 1.00 45.13 ATOM 1124 CD ARG 71 18.126 -36.095 44.166 1.00 42.22 ATOM 1125 HD1 ARG 71 18.169 -35.591 43.212 1.00 37.26 ATOM 1126 HD2 ARG 71 19.130 -36.332 44.495 1.00 4.21 ATOM 1127 NE ARG 71 17.505 -35.200 45.138 1.00 14.30 ATOM 1128 HE ARG 71 16.588 -35.406 45.434 1.00 62.53 ATOM 1129 CZ ARG 71 18.106 -34.126 45.638 1.00 22.23 ATOM 1130 NH1 ARG 71 19.338 -33.816 45.260 1.00 43.24 ATOM 1131 HH11 ARG 71 19.837 -34.371 44.599 1.00 31.43 ATOM 1132 HH12 ARG 71 19.783 -33.005 45.645 1.00 74.21 ATOM 1133 NH2 ARG 71 17.475 -33.360 46.519 1.00 31.51 ATOM 1134 HH21 ARG 71 16.544 -33.589 46.810 1.00 71.22 ATOM 1135 HH22 ARG 71 17.927 -32.549 46.898 1.00 24.11 ATOM 1136 C ARG 71 19.026 -38.870 40.836 1.00 42.54 ATOM 1137 O ARG 71 20.244 -39.030 40.911 1.00 63.25 ATOM 1138 N SER 72 18.250 -39.584 40.026 1.00 4.24 ATOM 1139 HN SER 72 17.283 -39.445 40.007 1.00 37.26 ATOM 1140 CA SER 72 18.798 -40.624 39.163 1.00 3.52 ATOM 1141 HA SER 72 19.877 -40.638 39.255 1.00 21.11 ATOM 1142 CB SER 72 18.262 -41.995 39.578 1.00 72.05 ATOM 1143 HB1 SER 72 18.869 -42.768 39.133 1.00 37.26 ATOM 1144 HB2 SER 72 17.237 -42.108 39.247 1.00 41.13 ATOM 1145 OG SER 72 18.297 -42.152 40.985 1.00 21.44 ATOM 1146 HG SER 72 17.542 -41.707 41.379 1.00 4.11 ATOM 1147 C SER 72 18.457 -40.352 37.701 1.00 11.33 ATOM 1148 O SER 72 17.892 -39.310 37.369 1.00 62.33 ATOM 1149 N GLU 73 18.804 -41.297 36.833 1.00 3.33 ATOM 1150 HN GLU 73 19.263 -42.107 37.152 1.00 37.26 ATOM 1151 CA GLU 73 18.536 -41.159 35.407 1.00 55.12 ATOM 1152 HA GLU 73 18.694 -40.123 35.129 1.00 51.15 ATOM 1153 CB GLU 73 19.483 -42.048 34.598 1.00 1.44 ATOM 1154 HB1 GLU 73 18.938 -42.520 33.788 1.00 37.26 ATOM 1155 HB2 GLU 73 19.873 -42.827 35.240 1.00 63.21 ATOM 1156 CG GLU 73 20.647 -41.292 33.980 1.00 5.24 ATOM 1157 HG1 GLU 73 20.885 -40.426 34.585 1.00 37.26 ATOM 1158 HG2 GLU 73 20.355 -40.973 32.995 1.00 51.55 ATOM 1159 CD GLU 73 21.894 -42.145 33.852 1.00 25.01 ATOM 1160 OE1 GLU 73 22.548 -42.400 34.885 1.00 45.13 ATOM 1161 OE2 GLU 73 22.216 -42.558 32.718 1.00 32.00 ATOM 1162 C GLU 73 17.087 -41.519 35.089 1.00 62.43 ATOM 1163 O GLU 73 16.431 -40.852 34.289 1.00 45.11 ATOM 1164 N SER 74 16.595 -42.580 35.721 1.00 62.35 ATOM 1165 HN SER 74 17.171 -43.088 36.341 1.00 37.26 ATOM 1166 CA SER 74 15.226 -43.033 35.502 1.00 24.23 ATOM 1167 HA SER 74 15.152 -43.391 34.485 1.00 65.31 ATOM 1168 CB SER 74 14.887 -44.179 36.458 1.00 2.52 ATOM 1169 HB1 SER 74 15.653 -44.938 36.393 1.00 37.26 ATOM 1170 HB2 SER 74 13.934 -44.605 36.182 1.00 52.14 ATOM 1171 OG SER 74 14.809 -43.720 37.797 1.00 54.54 ATOM 1172 HG SER 74 15.694 -43.642 38.164 1.00 45.14 ATOM 1173 C SER 74 14.238 -41.887 35.693 1.00 10.22 ATOM 1174 O SER 74 13.301 -41.725 34.912 1.00 31.33 ATOM 1175 N GLU 75 14.456 -41.094 36.738 1.00 55.22 ATOM 1176 HN GLU 75 15.223 -41.272 37.333 1.00 37.26 ATOM 1177 CA GLU 75 13.583 -39.963 37.032 1.00 5.22 ATOM 1178 HA GLU 75 12.554 -40.292 36.937 1.00 52.52 ATOM 1179 CB GLU 75 13.823 -39.463 38.459 1.00 72.54 ATOM 1180 HB1 GLU 75 13.541 -38.417 38.516 1.00 37.26 ATOM 1181 HB2 GLU 75 14.877 -39.549 38.689 1.00 74.24 ATOM 1182 CG GLU 75 13.045 -40.234 39.512 1.00 71.21 ATOM 1183 HG1 GLU 75 13.699 -40.974 39.949 1.00 37.26 ATOM 1184 HG2 GLU 75 12.199 -40.731 39.055 1.00 11.43 ATOM 1185 CD GLU 75 12.523 -39.342 40.621 1.00 54.41 ATOM 1186 OE1 GLU 75 11.464 -39.670 41.197 1.00 25.23 ATOM 1187 OE2 GLU 75 13.171 -38.315 40.912 1.00 21.11 ATOM 1188 C GLU 75 13.812 -38.827 36.039 1.00 54.00 ATOM 1189 O GLU 75 12.863 -38.185 35.585 1.00 23.13 ATOM 1190 N CYS 76 15.075 -38.585 35.707 1.00 54.44 ATOM 1191 HN CYS 76 15.795 -39.122 36.115 1.00 37.26 ATOM 1192 CA CYS 76 15.429 -37.525 34.768 1.00 35.43 ATOM 1193 HA CYS 76 15.058 -36.589 35.167 1.00 31.24 ATOM 1194 CB CYS 76 16.947 -37.449 34.602 1.00 31.13 ATOM 1195 HB1 CYS 76 17.193 -37.197 33.578 1.00 37.26 ATOM 1196 HB2 CYS 76 17.388 -38.405 34.837 1.00 51.23 ATOM 1197 SG CYS 76 17.743 -36.211 35.653 1.00 60.24 ATOM 1198 HG CYS 76 17.708 -35.050 35.015 1.00 4.40 ATOM 1199 C CYS 76 14.768 -37.756 33.413 1.00 34.22 ATOM 1200 O CYS 76 14.302 -36.815 32.769 1.00 21.10 ATOM 1201 N LEU 77 14.731 -39.013 32.985 1.00 21.33 ATOM 1202 HN LEU 77 15.121 -39.729 33.540 1.00 37.26 ATOM 1203 CA LEU 77 14.128 -39.368 31.705 1.00 25.51 ATOM 1204 HA LEU 77 14.399 -38.615 30.976 1.00 3.11 ATOM 1205 CB LEU 77 14.656 -40.723 31.229 1.00 20.11 ATOM 1206 HB1 LEU 77 14.080 -41.039 30.365 1.00 37.26 ATOM 1207 HB2 LEU 77 14.480 -41.434 32.027 1.00 72.00 ATOM 1208 CG LEU 77 16.139 -40.773 30.858 1.00 75.22 ATOM 1209 HG LEU 77 16.719 -40.323 31.651 1.00 44.21 ATOM 1210 CD1 LEU 77 16.601 -42.213 30.701 1.00 22.42 ATOM 1211 HD11 LEU 77 16.044 -42.691 29.906 1.00 11.30 ATOM 1212 HD12 LEU 77 16.437 -42.749 31.626 1.00 3.20 ATOM 1213 HD13 LEU 77 17.655 -42.232 30.462 1.00 43.43 ATOM 1214 CD2 LEU 77 16.395 -39.987 29.581 1.00 44.33 ATOM 1215 HD21 LEU 77 17.441 -40.046 29.319 1.00 71.13 ATOM 1216 HD22 LEU 77 16.125 -38.955 29.736 1.00 11.23 ATOM 1217 HD23 LEU 77 15.801 -40.397 28.775 1.00 23.21 ATOM 1218 C LEU 77 12.608 -39.411 31.812 1.00 35.55 ATOM 1219 O LEU 77 11.900 -39.237 30.820 1.00 0.14 ATOM 1220 N SER 78 12.111 -39.643 33.024 1.00 42.13 ATOM 1221 HN SER 78 12.718 -39.804 33.777 1.00 37.26 ATOM 1222 CA SER 78 10.674 -39.710 33.261 1.00 60.32 ATOM 1223 HA SER 78 10.258 -40.455 32.598 1.00 45.03 ATOM 1224 CB SER 78 10.393 -40.128 34.705 1.00 21.14 ATOM 1225 HB1 SER 78 9.385 -39.847 34.986 1.00 37.26 ATOM 1226 HB2 SER 78 11.090 -39.646 35.358 1.00 2.43 ATOM 1227 OG SER 78 10.521 -41.530 34.865 1.00 64.31 ATOM 1228 HG SER 78 10.987 -41.726 35.682 1.00 1.31 ATOM 1229 C SER 78 10.012 -38.367 32.970 1.00 11.20 ATOM 1230 O SER 78 8.925 -38.309 32.397 1.00 61.55 ATOM 1231 N ASN 79 10.676 -37.288 33.371 1.00 45.23 ATOM 1232 HN ASN 79 11.535 -37.393 33.845 1.00 37.26 ATOM 1233 CA ASN 79 10.153 -35.944 33.154 1.00 2.23 ATOM 1234 HA ASN 79 9.261 -35.834 33.755 1.00 23.14 ATOM 1235 CB ASN 79 11.188 -34.898 33.572 1.00 4.52 ATOM 1236 HB1 ASN 79 10.960 -33.973 33.087 1.00 37.26 ATOM 1237 HB2 ASN 79 12.173 -35.224 33.272 1.00 54.22 ATOM 1238 CG ASN 79 11.185 -34.646 35.068 1.00 40.03 ATOM 1239 OD1 ASN 79 10.139 -34.697 35.715 1.00 53.45 ATOM 1240 ND2 ASN 79 12.359 -34.373 35.624 1.00 3.32 ATOM 1241 HD21 ASN 79 13.163 -34.345 35.057 1.00 2.11 ATOM 1242 HD22 ASN 79 12.379 -34.210 36.588 1.00 41.43 ATOM 1243 C ASN 79 9.768 -35.739 31.692 1.00 1.24 ATOM 1244 O ASN 79 8.773 -35.080 31.389 1.00 43.23 ATOM 1245 N ILE 80 10.562 -36.308 30.792 1.00 41.02 ATOM 1246 HN ILE 80 11.351 -36.820 31.088 1.00 37.26 ATOM 1247 CA ILE 80 10.303 -36.189 29.362 1.00 24.13 ATOM 1248 HA ILE 80 9.956 -35.180 29.157 1.00 60.15 ATOM 1249 CB ILE 80 11.581 -36.433 28.537 1.00 54.12 ATOM 1250 HB ILE 80 11.920 -37.432 28.746 1.00 32.45 ATOM 1251 CG1 ILE 80 12.670 -35.435 28.936 1.00 71.33 ATOM 1252 HG11 ILE 80 12.678 -35.304 30.010 1.00 37.26 ATOM 1253 HG12 ILE 80 12.484 -34.486 28.474 1.00 22.51 ATOM 1254 CG2 ILE 80 11.278 -36.328 27.050 1.00 71.35 ATOM 1255 HG21 ILE 80 10.686 -35.443 26.855 1.00 11.41 ATOM 1256 HG22 ILE 80 10.734 -37.202 26.726 1.00 33.20 ATOM 1257 HG23 ILE 80 12.199 -36.264 26.489 1.00 53.44 ATOM 1258 CD1 ILE 80 14.063 -35.870 28.537 1.00 52.12 ATOM 1259 HD11 ILE 80 14.771 -35.101 28.808 1.00 33.34 ATOM 1260 HD12 ILE 80 14.104 -36.036 27.472 1.00 42.11 ATOM 1261 HD13 ILE 80 14.314 -36.785 29.053 1.00 42.43 ATOM 1262 C ILE 80 9.227 -37.172 28.915 1.00 60.32 ATOM 1263 O ILE 80 8.351 -36.830 28.121 1.00 54.10 ATOM 1264 N ARG 81 9.299 -38.395 29.431 1.00 53.11 ATOM 1265 HN ARG 81 10.034 -38.619 30.050 1.00 37.26 ATOM 1266 CA ARG 81 8.330 -39.428 29.085 1.00 30.12 ATOM 1267 HA ARG 81 8.454 -39.669 28.046 1.00 60.14 ATOM 1268 CB ARG 81 8.568 -40.683 29.927 1.00 2.23 ATOM 1269 HB1 ARG 81 7.634 -41.220 30.052 1.00 37.26 ATOM 1270 HB2 ARG 81 8.923 -40.382 30.903 1.00 34.14 ATOM 1271 CG ARG 81 9.570 -41.647 29.313 1.00 34.43 ATOM 1272 HG1 ARG 81 10.383 -41.087 28.868 1.00 37.26 ATOM 1273 HG2 ARG 81 9.072 -42.227 28.550 1.00 53.21 ATOM 1274 CD ARG 81 10.145 -42.592 30.357 1.00 73.42 ATOM 1275 HD1 ARG 81 9.371 -42.861 31.067 1.00 37.26 ATOM 1276 HD2 ARG 81 10.945 -42.085 30.877 1.00 22.34 ATOM 1277 NE ARG 81 10.671 -43.816 29.757 1.00 55.32 ATOM 1278 HE ARG 81 10.571 -43.933 28.783 1.00 62.32 ATOM 1279 CZ ARG 81 11.273 -44.775 30.451 1.00 10.41 ATOM 1280 NH1 ARG 81 11.425 -44.653 31.763 1.00 54.34 ATOM 1281 HH11 ARG 81 11.094 -43.847 32.252 1.00 62.53 ATOM 1282 HH12 ARG 81 11.880 -45.382 32.279 1.00 15.23 ATOM 1283 NH2 ARG 81 11.725 -45.859 29.833 1.00 12.45 ATOM 1284 HH21 ARG 81 11.614 -45.957 28.842 1.00 61.11 ATOM 1285 HH22 ARG 81 12.180 -46.584 30.355 1.00 41.53 ATOM 1286 C ARG 81 6.904 -38.927 29.292 1.00 74.12 ATOM 1287 O ARG 81 6.049 -39.082 28.420 1.00 63.11 ATOM 1288 N GLU 82 6.655 -38.327 30.451 1.00 12.35 ATOM 1289 HN GLU 82 7.381 -38.244 31.114 1.00 37.26 ATOM 1290 CA GLU 82 5.332 -37.805 30.772 1.00 14.42 ATOM 1291 HA GLU 82 4.664 -38.652 30.855 1.00 21.24 ATOM 1292 CB GLU 82 5.368 -37.039 32.097 1.00 62.24 ATOM 1293 HB1 GLU 82 5.218 -35.991 31.906 1.00 37.26 ATOM 1294 HB2 GLU 82 6.330 -37.168 32.572 1.00 44.22 ATOM 1295 CG GLU 82 4.303 -37.482 33.085 1.00 20.54 ATOM 1296 HG1 GLU 82 4.354 -36.847 33.957 1.00 37.26 ATOM 1297 HG2 GLU 82 4.500 -38.504 33.373 1.00 31.32 ATOM 1298 CD GLU 82 2.903 -37.404 32.509 1.00 52.42 ATOM 1299 OE1 GLU 82 2.674 -36.553 31.623 1.00 35.23 ATOM 1300 OE2 GLU 82 2.037 -38.191 32.943 1.00 74.44 ATOM 1301 C GLU 82 4.822 -36.893 29.659 1.00 31.34 ATOM 1302 O GLU 82 3.729 -37.094 29.129 1.00 41.10 ATOM 1303 N PHE 83 5.621 -35.890 29.311 1.00 24.52 ATOM 1304 HN PHE 83 6.485 -35.779 29.777 1.00 37.26 ATOM 1305 CA PHE 83 5.252 -34.947 28.263 1.00 54.41 ATOM 1306 HA PHE 83 4.398 -34.383 28.609 1.00 41.03 ATOM 1307 CB PHE 83 6.405 -33.980 27.987 1.00 25.31 ATOM 1308 HB1 PHE 83 7.305 -34.554 27.807 1.00 37.26 ATOM 1309 HB2 PHE 83 6.558 -33.362 28.863 1.00 12.24 ATOM 1310 CG PHE 83 6.167 -33.084 26.806 1.00 42.31 ATOM 1311 CD1 PHE 83 6.548 -33.477 25.533 1.00 3.31 ATOM 1312 HD1 PHE 83 7.020 -34.439 25.390 1.00 71.23 ATOM 1313 CD2 PHE 83 5.563 -31.848 26.968 1.00 13.44 ATOM 1314 HD2 PHE 83 5.258 -31.528 27.954 1.00 33.31 ATOM 1315 CE1 PHE 83 6.330 -32.654 24.444 1.00 62.22 ATOM 1316 HE1 PHE 83 6.632 -32.972 23.458 1.00 12.23 ATOM 1317 CE2 PHE 83 5.342 -31.021 25.883 1.00 74.20 ATOM 1318 HE2 PHE 83 4.877 -30.062 26.032 1.00 40.11 ATOM 1319 CZ PHE 83 5.727 -31.424 24.619 1.00 30.33 ATOM 1320 HZ PHE 83 5.564 -30.786 23.769 1.00 40.43 ATOM 1321 C PHE 83 4.870 -35.680 26.980 1.00 21.14 ATOM 1322 O PHE 83 4.039 -35.206 26.204 1.00 21.43 ATOM 1323 N LEU 84 5.483 -36.839 26.764 1.00 42.50 ATOM 1324 HN LEU 84 6.172 -37.153 27.387 1.00 37.26 ATOM 1325 CA LEU 84 5.209 -37.639 25.575 1.00 3.24 ATOM 1326 HA LEU 84 5.087 -36.971 24.730 1.00 34.04 ATOM 1327 CB LEU 84 6.383 -38.577 25.287 1.00 54.24 ATOM 1328 HB1 LEU 84 6.160 -39.133 24.383 1.00 37.26 ATOM 1329 HB2 LEU 84 6.449 -39.285 26.102 1.00 55.42 ATOM 1330 CG LEU 84 7.748 -37.911 25.117 1.00 5.32 ATOM 1331 HG LEU 84 7.884 -37.172 25.886 1.00 24.32 ATOM 1332 CD1 LEU 84 8.863 -38.937 25.252 1.00 41.51 ATOM 1333 HD11 LEU 84 9.800 -38.518 24.906 1.00 71.42 ATOM 1334 HD12 LEU 84 8.628 -39.818 24.674 1.00 53.04 ATOM 1335 HD13 LEU 84 8.966 -39.212 26.282 1.00 71.41 ATOM 1336 CD2 LEU 84 7.833 -37.202 23.773 1.00 1.13 ATOM 1337 HD21 LEU 84 7.106 -37.610 23.083 1.00 52.33 ATOM 1338 HD22 LEU 84 8.818 -37.326 23.360 1.00 51.33 ATOM 1339 HD23 LEU 84 7.634 -36.151 23.916 1.00 52.24 ATOM 1340 C LEU 84 3.927 -38.447 25.747 1.00 63.40 ATOM 1341 O LEU 84 3.219 -38.720 24.777 1.00 3.05 ATOM 1342 N ARG 85 3.634 -38.826 26.987 1.00 62.13 ATOM 1343 HN ARG 85 4.248 -38.611 27.719 1.00 37.26 ATOM 1344 CA ARG 85 2.437 -39.602 27.285 1.00 32.44 ATOM 1345 HA ARG 85 2.360 -40.389 26.548 1.00 11.35 ATOM 1346 CB ARG 85 2.535 -40.212 28.685 1.00 74.30 ATOM 1347 HB1 ARG 85 2.098 -39.536 29.410 1.00 37.26 ATOM 1348 HB2 ARG 85 3.580 -40.350 28.939 1.00 31.00 ATOM 1349 CG ARG 85 1.836 -41.556 28.814 1.00 61.11 ATOM 1350 HG1 ARG 85 0.831 -41.472 28.422 1.00 37.26 ATOM 1351 HG2 ARG 85 1.789 -41.826 29.859 1.00 43.04 ATOM 1352 CD ARG 85 2.574 -42.643 28.049 1.00 64.40 ATOM 1353 HD1 ARG 85 3.066 -42.226 27.181 1.00 37.26 ATOM 1354 HD2 ARG 85 1.851 -43.376 27.723 1.00 13.15 ATOM 1355 NE ARG 85 3.570 -43.317 28.879 1.00 50.33 ATOM 1356 HE ARG 85 3.629 -43.061 29.829 1.00 61.42 ATOM 1357 CZ ARG 85 4.395 -44.253 28.423 1.00 53.00 ATOM 1358 NH1 ARG 85 4.343 -44.624 27.151 1.00 23.43 ATOM 1359 HH11 ARG 85 3.691 -44.214 26.515 1.00 13.43 ATOM 1360 HH12 ARG 85 4.970 -45.330 26.815 1.00 3.13 ATOM 1361 NH2 ARG 85 5.274 -44.819 29.240 1.00 74.41 ATOM 1362 HH21 ARG 85 5.318 -44.542 30.202 1.00 4.22 ATOM 1363 HH22 ARG 85 5.897 -45.526 28.899 1.00 14.11 ATOM 1364 C ARG 85 1.186 -38.734 27.184 1.00 43.04 ATOM 1365 O ARG 85 0.169 -39.155 26.634 1.00 1.52 ATOM 1366 N GLY 86 1.270 -37.519 27.718 1.00 23.30 ATOM 1367 HN GLY 86 2.099 -37.226 28.158 1.00 37.26 ATOM 1368 CA GLY 86 0.139 -36.611 27.677 1.00 20.24 ATOM 1369 HA1 GLY 86 0.344 -35.776 28.329 1.00 37.26 ATOM 1370 HA2 GLY 86 -0.747 -37.120 28.036 1.00 12.31 ATOM 1371 C GLY 86 -0.130 -36.082 26.283 1.00 44.42 ATOM 1372 O GLY 86 -1.244 -36.196 25.772 1.00 74.40 ATOM 1373 N CYS 87 0.892 -35.499 25.666 1.00 5.12 ATOM 1374 HN CYS 87 1.762 -35.436 26.130 1.00 37.26 ATOM 1375 CA CYS 87 0.761 -34.947 24.322 1.00 13.14 ATOM 1376 HA CYS 87 0.047 -34.135 24.364 1.00 41.15 ATOM 1377 CB CYS 87 2.109 -34.418 23.831 1.00 21.23 ATOM 1378 HB1 CYS 87 2.122 -34.408 22.747 1.00 37.26 ATOM 1379 HB2 CYS 87 2.897 -35.061 24.177 1.00 70.33 ATOM 1380 SG CYS 87 2.483 -32.734 24.373 1.00 62.04 ATOM 1381 HG CYS 87 1.341 -32.066 24.451 1.00 10.01 ATOM 1382 C CYS 87 0.229 -35.997 23.353 1.00 71.21 ATOM 1383 O CYS 87 -0.551 -35.688 22.453 1.00 43.01 ATOM 1384 N GLY 88 0.658 -37.242 23.542 1.00 13.55 ATOM 1385 HN GLY 88 1.295 -37.446 24.262 1.00 37.26 ATOM 1386 CA GLY 88 0.216 -38.319 22.676 1.00 11.40 ATOM 1387 HA1 GLY 88 0.979 -39.084 22.668 1.00 37.26 ATOM 1388 HA2 GLY 88 0.090 -37.951 21.666 1.00 21.54 ATOM 1389 C GLY 88 -1.083 -38.944 23.144 1.00 11.35 ATOM 1390 O GLY 88 -1.667 -39.774 22.448 1.00 2.42 ATOM 1391 N ALA 89 -1.536 -38.546 24.329 1.00 51.12 ATOM 1392 HN ALA 89 -1.039 -37.898 24.846 1.00 37.26 ATOM 1393 CA ALA 89 -2.774 -39.073 24.889 1.00 13.53 ATOM 1394 HA ALA 89 -2.875 -40.112 24.596 1.00 71.34 ATOM 1395 CB ALA 89 -2.727 -39.026 26.409 1.00 31.44 ATOM 1396 HB1 ALA 89 -2.085 -39.813 26.769 1.00 0.45 ATOM 1397 HB2 ALA 89 -3.720 -39.173 26.816 1.00 71.30 ATOM 1398 HB3 ALA 89 -2.346 -38.074 26.736 1.00 24.11 ATOM 1399 C ALA 89 -3.983 -38.300 24.372 1.00 32.30 ATOM 1400 O ALA 89 -4.834 -38.854 23.676 1.00 32.22 ATOM 1401 N SER 90 -4.053 -37.019 24.717 1.00 2.51 ATOM 1402 HN SER 90 -3.329 -36.622 25.258 1.00 37.26 ATOM 1403 CA SER 90 -5.160 -36.171 24.291 1.00 75.30 ATOM 1404 HA SER 90 -6.071 -36.758 24.309 1.00 15.45 ATOM 1405 CB SER 90 -5.325 -34.990 25.249 1.00 22.24 ATOM 1406 HB1 SER 90 -4.415 -34.410 25.274 1.00 37.26 ATOM 1407 HB2 SER 90 -5.537 -35.364 26.240 1.00 60.20 ATOM 1408 OG SER 90 -6.393 -34.151 24.846 1.00 42.32 ATOM 1409 HG SER 90 -6.368 -33.336 25.352 1.00 20.10 ATOM 1410 C SER 90 -4.939 -35.661 22.870 1.00 21.04 ATOM 1411 O SER 90 -5.696 -35.989 21.955 1.00 4.43 ATOM 1412 N LEU 91 -3.896 -34.857 22.693 1.00 14.14 ATOM 1413 HN LEU 91 -3.312 -34.647 23.459 1.00 37.26 ATOM 1414 CA LEU 91 -3.573 -34.300 21.384 1.00 13.04 ATOM 1415 HA LEU 91 -4.442 -33.763 21.023 1.00 32.02 ATOM 1416 CB LEU 91 -2.394 -33.332 21.497 1.00 60.20 ATOM 1417 HB1 LEU 91 -1.801 -33.408 20.594 1.00 37.26 ATOM 1418 HB2 LEU 91 -1.775 -33.654 22.323 1.00 45.04 ATOM 1419 CG LEU 91 -2.751 -31.860 21.705 1.00 73.04 ATOM 1420 HG LEU 91 -3.665 -31.787 22.280 1.00 64.52 ATOM 1421 CD1 LEU 91 -1.658 -31.151 22.488 1.00 1.32 ATOM 1422 HD11 LEU 91 -0.734 -31.172 21.929 1.00 23.13 ATOM 1423 HD12 LEU 91 -1.513 -31.645 23.439 1.00 43.22 ATOM 1424 HD13 LEU 91 -1.947 -30.124 22.663 1.00 61.32 ATOM 1425 CD2 LEU 91 -2.982 -31.173 20.366 1.00 31.43 ATOM 1426 HD21 LEU 91 -3.021 -30.099 20.498 1.00 63.50 ATOM 1427 HD22 LEU 91 -3.922 -31.511 19.956 1.00 23.54 ATOM 1428 HD23 LEU 91 -2.189 -31.425 19.680 1.00 73.53 ATOM 1429 C LEU 91 -3.244 -35.407 20.388 1.00 51.11 ATOM 1430 O LEU 91 -3.509 -35.279 19.193 1.00 52.55 ATOM 1431 N ARG 92 -2.667 -36.494 20.889 1.00 62.25 ATOM 1432 HN ARG 92 -2.456 -36.549 21.846 1.00 37.26 ATOM 1433 CA ARG 92 -2.302 -37.624 20.042 1.00 35.24 ATOM 1434 HA ARG 92 -1.742 -38.312 20.636 1.00 34.44 ATOM 1435 CB ARG 92 -3.559 -38.315 19.508 1.00 2.42 ATOM 1436 HB1 ARG 92 -3.883 -37.838 18.591 1.00 37.26 ATOM 1437 HB2 ARG 92 -4.345 -38.205 20.246 1.00 52.13 ATOM 1438 CG ARG 92 -3.369 -39.797 19.234 1.00 61.50 ATOM 1439 HG1 ARG 92 -2.766 -40.235 20.019 1.00 37.26 ATOM 1440 HG2 ARG 92 -2.867 -39.916 18.286 1.00 63.41 ATOM 1441 CD ARG 92 -4.701 -40.529 19.179 1.00 51.22 ATOM 1442 HD1 ARG 92 -4.526 -41.531 18.816 1.00 37.26 ATOM 1443 HD2 ARG 92 -5.362 -40.013 18.494 1.00 31.00 ATOM 1444 NE ARG 92 -5.336 -40.609 20.491 1.00 14.44 ATOM 1445 HE ARG 92 -4.839 -40.259 21.267 1.00 42.44 ATOM 1446 CZ ARG 92 -6.542 -41.127 20.694 1.00 75.33 ATOM 1447 NH1 ARG 92 -7.240 -41.610 19.674 1.00 3.05 ATOM 1448 HH11 ARG 92 -6.878 -41.595 18.743 1.00 21.32 ATOM 1449 HH12 ARG 92 -8.150 -41.999 19.836 1.00 72.12 ATOM 1450 NH2 ARG 92 -7.053 -41.164 21.918 1.00 72.32 ATOM 1451 HH21 ARG 92 -6.531 -40.801 22.693 1.00 55.43 ATOM 1452 HH22 ARG 92 -7.963 -41.554 22.073 1.00 2.31 ATOM 1453 C ARG 92 -1.424 -37.172 18.879 1.00 13.35 ATOM 1454 O ARG 92 -1.568 -37.653 17.755 1.00 61.41 ATOM 1455 N LEU 93 -0.516 -36.243 19.158 1.00 64.55 ATOM 1456 HN LEU 93 -0.421 -35.912 20.082 1.00 37.26 ATOM 1457 CA LEU 93 0.386 -35.725 18.135 1.00 42.12 ATOM 1458 HA LEU 93 -0.093 -35.812 17.166 1.00 13.44 ATOM 1459 CB LEU 93 0.683 -34.246 18.391 1.00 63.41 ATOM 1460 HB1 LEU 93 -0.273 -33.749 18.490 1.00 37.26 ATOM 1461 HB2 LEU 93 1.165 -33.845 17.509 1.00 1.11 ATOM 1462 CG LEU 93 1.533 -33.936 19.624 1.00 34.30 ATOM 1463 HG LEU 93 1.638 -34.824 20.235 1.00 50.30 ATOM 1464 CD1 LEU 93 2.928 -33.493 19.213 1.00 1.13 ATOM 1465 HD11 LEU 93 3.604 -33.663 20.038 1.00 44.15 ATOM 1466 HD12 LEU 93 2.929 -32.441 18.976 1.00 3.35 ATOM 1467 HD13 LEU 93 3.274 -34.045 18.359 1.00 12.10 ATOM 1468 CD2 LEU 93 0.862 -32.871 20.479 1.00 44.52 ATOM 1469 HD21 LEU 93 0.290 -32.186 19.866 1.00 2.42 ATOM 1470 HD22 LEU 93 1.609 -32.310 21.030 1.00 21.34 ATOM 1471 HD23 LEU 93 0.213 -33.353 21.183 1.00 4.24 ATOM 1472 C LEU 93 1.688 -36.519 18.103 1.00 21.05 ATOM 1473 O LEU 93 1.829 -37.524 18.799 1.00 63.55 ATOM 1474 N GLU 94 2.637 -36.059 17.294 1.00 11.41 ATOM 1475 HN GLU 94 2.459 -35.272 16.730 1.00 37.26 ATOM 1476 CA GLU 94 3.928 -36.726 17.174 1.00 11.02 ATOM 1477 HA GLU 94 3.755 -37.734 16.829 1.00 10.24 ATOM 1478 CB GLU 94 4.818 -35.987 16.173 1.00 71.04 ATOM 1479 HB1 GLU 94 5.807 -36.429 16.179 1.00 37.26 ATOM 1480 HB2 GLU 94 4.895 -34.953 16.472 1.00 1.11 ATOM 1481 CG GLU 94 4.296 -36.031 14.746 1.00 13.34 ATOM 1482 HG1 GLU 94 5.041 -35.604 14.091 1.00 37.26 ATOM 1483 HG2 GLU 94 3.391 -35.445 14.689 1.00 12.12 ATOM 1484 CD GLU 94 3.991 -37.441 14.280 1.00 52.12 ATOM 1485 OE1 GLU 94 2.800 -37.819 14.274 1.00 44.21 ATOM 1486 OE2 GLU 94 4.942 -38.166 13.921 1.00 74.31 ATOM 1487 C GLU 94 4.626 -36.807 18.529 1.00 63.24 ATOM 1488 O GLU 94 4.230 -36.142 19.486 1.00 13.11 ATOM 1489 N THR 95 5.669 -37.628 18.602 1.00 62.42 ATOM 1490 HN THR 95 5.935 -38.147 17.805 1.00 37.26 ATOM 1491 CA THR 95 6.422 -37.799 19.838 1.00 63.12 ATOM 1492 HA THR 95 6.411 -36.863 20.389 1.00 71.02 ATOM 1493 CB THR 95 5.804 -38.895 20.726 1.00 73.22 ATOM 1494 HB THR 95 6.449 -39.095 21.569 1.00 71.53 ATOM 1495 OG1 THR 95 5.643 -40.103 19.973 1.00 15.50 ATOM 1496 HG1 THR 95 6.481 -40.571 19.931 1.00 34.41 ATOM 1497 CG2 THR 95 4.457 -38.450 21.275 1.00 34.41 ATOM 1498 HG21 THR 95 4.537 -37.456 21.695 1.00 65.51 ATOM 1499 HG22 THR 95 4.145 -39.137 22.048 1.00 63.21 ATOM 1500 HG23 THR 95 3.724 -38.451 20.484 1.00 60.20 ATOM 1501 C THR 95 7.877 -38.154 19.551 1.00 73.21 ATOM 1502 O THR 95 8.292 -38.228 18.394 1.00 13.41 ATOM 1503 N PHE 96 8.647 -38.374 20.611 1.00 64.41 ATOM 1504 HN PHE 96 8.280 -38.285 21.500 1.00 37.26 ATOM 1505 CA PHE 96 10.057 -38.722 20.472 1.00 12.14 ATOM 1506 HA PHE 96 10.173 -39.340 19.596 1.00 24.24 ATOM 1507 CB PHE 96 10.902 -37.457 20.306 1.00 31.31 ATOM 1508 HB1 PHE 96 10.543 -36.911 19.443 1.00 37.26 ATOM 1509 HB2 PHE 96 11.932 -37.738 20.131 1.00 21.31 ATOM 1510 CG PHE 96 10.851 -36.542 21.496 1.00 40.44 ATOM 1511 CD1 PHE 96 9.784 -35.676 21.675 1.00 43.44 ATOM 1512 HD1 PHE 96 8.980 -35.677 20.962 1.00 2.32 ATOM 1513 CD2 PHE 96 11.870 -36.547 22.435 1.00 75.11 ATOM 1514 HD2 PHE 96 12.707 -37.209 22.304 1.00 14.21 ATOM 1515 CE1 PHE 96 9.736 -34.831 22.768 1.00 74.51 ATOM 1516 HE1 PHE 96 8.899 -34.160 22.896 1.00 5.45 ATOM 1517 CE2 PHE 96 11.826 -35.706 23.530 1.00 0.55 ATOM 1518 HE2 PHE 96 12.626 -35.721 24.255 1.00 4.33 ATOM 1519 CZ PHE 96 10.757 -34.847 23.698 1.00 70.34 ATOM 1520 HZ PHE 96 10.721 -34.188 24.553 1.00 3.53 ATOM 1521 C PHE 96 10.542 -39.516 21.681 1.00 24.33 ATOM 1522 O PHE 96 9.784 -39.768 22.618 1.00 51.50 ATOM 1523 N ASP 97 11.811 -39.909 21.653 1.00 61.14 ATOM 1524 HN ASP 97 12.376 -39.683 20.877 1.00 37.26 ATOM 1525 CA ASP 97 12.399 -40.675 22.745 1.00 5.45 ATOM 1526 HA ASP 97 11.595 -41.200 23.254 1.00 50.15 ATOM 1527 CB ASP 97 13.390 -41.705 22.200 1.00 52.52 ATOM 1528 HB1 ASP 97 14.336 -41.231 21.988 1.00 37.26 ATOM 1529 HB2 ASP 97 12.996 -42.126 21.286 1.00 54.40 ATOM 1530 CG ASP 97 13.633 -42.844 23.170 1.00 63.14 ATOM 1531 OD1 ASP 97 14.429 -43.748 22.836 1.00 12.54 ATOM 1532 OD2 ASP 97 13.029 -42.832 24.262 1.00 21.02 ATOM 1533 C ASP 97 13.100 -39.753 23.739 1.00 65.12 ATOM 1534 O ASP 97 13.893 -38.895 23.352 1.00 53.35 ATOM 1535 N ALA 98 12.802 -39.937 25.021 1.00 42.23 ATOM 1536 HN ALA 98 12.159 -40.643 25.271 1.00 37.26 ATOM 1537 CA ALA 98 13.404 -39.123 26.069 1.00 2.14 ATOM 1538 HA ALA 98 13.122 -38.095 25.899 1.00 74.42 ATOM 1539 CB ALA 98 12.871 -39.539 27.432 1.00 13.02 ATOM 1540 HB1 ALA 98 13.350 -38.956 28.207 1.00 25.51 ATOM 1541 HB2 ALA 98 13.075 -40.587 27.593 1.00 33.44 ATOM 1542 HB3 ALA 98 11.804 -39.373 27.465 1.00 65.42 ATOM 1543 C ALA 98 14.925 -39.227 26.040 1.00 23.32 ATOM 1544 O ALA 98 15.628 -38.320 26.485 1.00 75.34 ATOM 1545 N ASN 99 15.427 -40.340 25.515 1.00 45.03 ATOM 1546 HN ASN 99 14.824 -41.050 25.202 1.00 37.26 ATOM 1547 CA ASN 99 16.866 -40.563 25.429 1.00 21.10 ATOM 1548 HA ASN 99 17.302 -40.356 26.399 1.00 24.42 ATOM 1549 CB ASN 99 17.156 -42.020 25.064 1.00 64.31 ATOM 1550 HB1 ASN 99 18.222 -42.192 25.105 1.00 37.26 ATOM 1551 HB2 ASN 99 16.802 -42.217 24.061 1.00 23.22 ATOM 1552 CG ASN 99 16.479 -42.998 26.004 1.00 35.04 ATOM 1553 OD1 ASN 99 15.570 -43.728 25.609 1.00 34.10 ATOM 1554 ND2 ASN 99 16.919 -43.016 27.257 1.00 0.10 ATOM 1555 HD21 ASN 99 17.648 -42.409 27.518 1.00 5.01 ATOM 1556 HD22 ASN 99 16.494 -43.642 27.880 1.00 11.00 ATOM 1557 C ASN 99 17.501 -39.633 24.399 1.00 35.13 ATOM 1558 O ASN 99 18.599 -39.117 24.607 1.00 31.20 ATOM 1559 N ASP 100 16.801 -39.424 23.289 1.00 2.45 ATOM 1560 HN ASP 100 15.929 -39.870 23.173 1.00 37.26 ATOM 1561 CA ASP 100 17.295 -38.554 22.228 1.00 75.45 ATOM 1562 HA ASP 100 18.257 -38.922 21.915 1.00 11.53 ATOM 1563 CB ASP 100 16.339 -38.580 21.033 1.00 24.22 ATOM 1564 HB1 ASP 100 16.713 -37.931 20.255 1.00 37.26 ATOM 1565 HB2 ASP 100 15.367 -38.230 21.349 1.00 62.45 ATOM 1566 CG ASP 100 16.174 -39.971 20.454 1.00 62.41 ATOM 1567 OD1 ASP 100 16.902 -40.886 20.892 1.00 31.43 ATOM 1568 OD2 ASP 100 15.318 -40.145 19.562 1.00 74.14 ATOM 1569 C ASP 100 17.462 -37.124 22.730 1.00 50.20 ATOM 1570 O ASP 100 18.292 -36.369 22.221 1.00 13.22 ATOM 1571 N LEU 101 16.669 -36.757 23.730 1.00 14.02 ATOM 1572 HN LEU 101 16.007 -37.388 24.093 1.00 37.26 ATOM 1573 CA LEU 101 16.728 -35.416 24.302 1.00 52.05 ATOM 1574 HA LEU 101 17.037 -34.721 23.530 1.00 62.31 ATOM 1575 CB LEU 101 15.347 -34.994 24.806 1.00 12.21 ATOM 1576 HB1 LEU 101 14.966 -35.795 25.425 1.00 37.26 ATOM 1577 HB2 LEU 101 14.695 -34.892 23.960 1.00 13.42 ATOM 1578 CG LEU 101 15.297 -33.704 25.627 1.00 63.44 ATOM 1579 HG LEU 101 15.849 -33.840 26.546 1.00 45.11 ATOM 1580 CD1 LEU 101 15.938 -32.559 24.859 1.00 5.53 ATOM 1581 HD11 LEU 101 15.932 -31.675 25.468 1.00 31.33 ATOM 1582 HD12 LEU 101 15.392 -32.373 23.951 1.00 72.23 ATOM 1583 HD13 LEU 101 16.962 -32.803 24.616 1.00 13.30 ATOM 1584 CD2 LEU 101 13.862 -33.363 25.997 1.00 15.04 ATOM 1585 HD21 LEU 101 13.828 -32.455 26.556 1.00 35.45 ATOM 1586 HD22 LEU 101 13.438 -34.156 26.581 1.00 23.51 ATOM 1587 HD23 LEU 101 13.278 -33.241 25.094 1.00 51.51 ATOM 1588 C LEU 101 17.739 -35.354 25.442 1.00 42.14 ATOM 1589 O LEU 101 18.607 -34.481 25.468 1.00 24.30 ATOM 1590 N TYR 102 17.622 -36.286 26.381 1.00 61.25 ATOM 1591 HN TYR 102 16.905 -36.960 26.305 1.00 37.26 ATOM 1592 CA TYR 102 18.526 -36.338 27.523 1.00 0.45 ATOM 1593 HA TYR 102 18.449 -35.391 28.032 1.00 24.31 ATOM 1594 CB TYR 102 18.124 -37.472 28.468 1.00 50.23 ATOM 1595 HB1 TYR 102 18.453 -38.422 28.061 1.00 37.26 ATOM 1596 HB2 TYR 102 17.047 -37.482 28.549 1.00 31.42 ATOM 1597 CG TYR 102 18.678 -37.321 29.866 1.00 3.53 ATOM 1598 CD1 TYR 102 18.581 -36.113 30.547 1.00 64.14 ATOM 1599 HD1 TYR 102 18.095 -35.276 30.072 1.00 72.02 ATOM 1600 CD2 TYR 102 19.298 -38.386 30.508 1.00 42.12 ATOM 1601 HD2 TYR 102 19.386 -39.334 29.996 1.00 30.32 ATOM 1602 CE1 TYR 102 19.087 -35.970 31.824 1.00 21.42 ATOM 1603 HE1 TYR 102 18.997 -35.026 32.337 1.00 34.34 ATOM 1604 CE2 TYR 102 19.806 -38.253 31.786 1.00 54.21 ATOM 1605 HE2 TYR 102 20.286 -39.086 32.264 1.00 23.32 ATOM 1606 CZ TYR 102 19.698 -37.043 32.440 1.00 41.04 ATOM 1607 OH TYR 102 20.202 -36.905 33.713 1.00 71.33 ATOM 1608 HH TYR 102 21.163 -36.877 33.683 1.00 14.43 ATOM 1609 C TYR 102 19.970 -36.527 27.068 1.00 33.52 ATOM 1610 O TYR 102 20.864 -35.789 27.481 1.00 74.12 ATOM 1611 N GLN 103 20.188 -37.522 26.214 1.00 20.55 ATOM 1612 HN GLN 103 19.429 -38.075 25.909 1.00 37.26 ATOM 1613 CA GLN 103 21.523 -37.810 25.703 1.00 74.14 ATOM 1614 HA GLN 103 22.239 -37.660 26.503 1.00 2.25 ATOM 1615 CB GLN 103 21.611 -39.265 25.237 1.00 12.33 ATOM 1616 HB1 GLN 103 22.594 -39.442 24.814 1.00 37.26 ATOM 1617 HB2 GLN 103 20.876 -39.431 24.468 1.00 45.33 ATOM 1618 CG GLN 103 21.372 -40.274 26.348 1.00 35.42 ATOM 1619 HG1 GLN 103 20.912 -41.150 25.914 1.00 37.26 ATOM 1620 HG2 GLN 103 20.702 -39.859 27.090 1.00 74.52 ATOM 1621 CD GLN 103 22.654 -40.705 27.031 1.00 24.43 ATOM 1622 OE1 GLN 103 23.311 -41.655 26.603 1.00 73.12 ATOM 1623 NE2 GLN 103 23.019 -40.008 28.101 1.00 44.44 ATOM 1624 HE21 GLN 103 22.456 -39.258 28.400 1.00 35.43 ATOM 1625 HE22 GLN 103 23.846 -40.272 28.556 1.00 53.11 ATOM 1626 C GLN 103 21.878 -36.874 24.553 1.00 42.44 ATOM 1627 O GLN 103 23.048 -36.714 24.207 1.00 22.35 ATOM 1628 N GLY 104 20.859 -36.256 23.962 1.00 4.22 ATOM 1629 HN GLY 104 19.939 -36.427 24.243 1.00 37.26 ATOM 1630 CA GLY 104 21.085 -35.343 22.857 1.00 63.02 ATOM 1631 HA1 GLY 104 21.873 -34.647 23.117 1.00 37.26 ATOM 1632 HA2 GLY 104 20.177 -34.786 22.680 1.00 70.52 ATOM 1633 C GLY 104 21.468 -36.063 21.579 1.00 23.32 ATOM 1634 O GLY 104 22.193 -35.519 20.746 1.00 32.25 ATOM 1635 N GLN 105 20.982 -37.291 21.425 1.00 2.32 ATOM 1636 HN GLN 105 20.385 -37.671 22.111 1.00 37.26 ATOM 1637 CA GLN 105 21.280 -38.087 20.241 1.00 45.24 ATOM 1638 HA GLN 105 22.354 -38.094 20.098 1.00 2.42 ATOM 1639 CB GLN 105 20.800 -39.526 20.433 1.00 23.35 ATOM 1640 HB1 GLN 105 20.952 -40.079 19.513 1.00 37.26 ATOM 1641 HB2 GLN 105 19.748 -39.515 20.655 1.00 63.34 ATOM 1642 CG GLN 105 21.513 -40.260 21.558 1.00 44.01 ATOM 1643 HG1 GLN 105 20.913 -41.113 21.845 1.00 37.26 ATOM 1644 HG2 GLN 105 21.617 -39.599 22.407 1.00 31.04 ATOM 1645 CD GLN 105 22.891 -40.748 21.155 1.00 71.12 ATOM 1646 OE1 GLN 105 23.889 -40.053 21.346 1.00 1.02 ATOM 1647 NE2 GLN 105 22.953 -41.950 20.593 1.00 15.21 ATOM 1648 HE21 GLN 105 22.123 -42.462 20.464 1.00 71.51 ATOM 1649 HE22 GLN 105 23.835 -42.283 20.326 1.00 12.41 ATOM 1650 C GLN 105 20.629 -37.483 19.001 1.00 43.03 ATOM 1651 O GLN 105 21.314 -37.088 18.058 1.00 2.54 ATOM 1652 N ASN 106 19.302 -37.416 19.009 1.00 51.33 ATOM 1653 HN ASN 106 18.801 -37.741 19.789 1.00 37.26 ATOM 1654 CA ASN 106 18.558 -36.861 17.884 1.00 51.32 ATOM 1655 HA ASN 106 19.256 -36.500 17.134 1.00 54.51 ATOM 1656 CB ASN 106 17.680 -37.938 17.245 1.00 60.54 ATOM 1657 HB1 ASN 106 17.042 -37.488 16.494 1.00 37.26 ATOM 1658 HB2 ASN 106 17.065 -38.392 18.007 1.00 75.21 ATOM 1659 CG ASN 106 18.496 -39.029 16.578 1.00 4.02 ATOM 1660 OD1 ASN 106 19.722 -39.061 16.693 1.00 13.43 ATOM 1661 ND2 ASN 106 17.819 -39.930 15.876 1.00 12.31 ATOM 1662 HD21 ASN 106 16.839 -39.855 15.818 1.00 52.21 ATOM 1663 HD22 ASN 106 18.329 -40.643 15.438 1.00 33.13 ATOM 1664 C ASN 106 17.695 -35.684 18.330 1.00 72.42 ATOM 1665 O ASN 106 16.561 -35.866 18.775 1.00 43.21 ATOM 1666 N PHE 107 18.239 -34.478 18.207 1.00 73.24 ATOM 1667 HN PHE 107 19.151 -34.396 17.836 1.00 37.26 ATOM 1668 CA PHE 107 17.519 -33.271 18.597 1.00 21.51 ATOM 1669 HA PHE 107 17.138 -33.416 19.600 1.00 50.14 ATOM 1670 CB PHE 107 18.462 -32.067 18.596 1.00 43.31 ATOM 1671 HB1 PHE 107 18.832 -31.907 17.590 1.00 37.26 ATOM 1672 HB2 PHE 107 19.298 -32.283 19.247 1.00 71.45 ATOM 1673 CG PHE 107 17.819 -30.801 19.086 1.00 72.12 ATOM 1674 CD1 PHE 107 17.185 -30.762 20.317 1.00 34.31 ATOM 1675 HD1 PHE 107 17.155 -31.652 20.931 1.00 62.50 ATOM 1676 CD2 PHE 107 17.848 -29.650 18.315 1.00 74.23 ATOM 1677 HD2 PHE 107 18.340 -29.664 17.352 1.00 53.42 ATOM 1678 CE1 PHE 107 16.592 -29.599 20.771 1.00 32.11 ATOM 1679 HE1 PHE 107 16.101 -29.582 21.733 1.00 63.15 ATOM 1680 CE2 PHE 107 17.257 -28.484 18.764 1.00 71.24 ATOM 1681 HE2 PHE 107 17.280 -27.599 18.151 1.00 73.10 ATOM 1682 CZ PHE 107 16.627 -28.459 19.993 1.00 41.14 ATOM 1683 HZ PHE 107 16.157 -27.559 20.331 1.00 62.04 ATOM 1684 C PHE 107 16.343 -33.012 17.660 1.00 64.13 ATOM 1685 O PHE 107 15.324 -32.456 18.065 1.00 33.02 ATOM 1686 N ASN 108 16.495 -33.419 16.404 1.00 51.15 ATOM 1687 HN ASN 108 17.361 -33.758 16.135 1.00 37.26 ATOM 1688 CA ASN 108 15.447 -33.230 15.407 1.00 12.12 ATOM 1689 HA ASN 108 15.346 -32.170 15.227 1.00 1.02 ATOM 1690 CB ASN 108 15.829 -33.922 14.097 1.00 12.02 ATOM 1691 HB1 ASN 108 16.529 -33.294 13.564 1.00 37.26 ATOM 1692 HB2 ASN 108 14.949 -34.063 13.481 1.00 75.31 ATOM 1693 CG ASN 108 16.476 -35.274 14.325 1.00 22.31 ATOM 1694 OD1 ASN 108 15.803 -36.305 14.325 1.00 20.02 ATOM 1695 ND2 ASN 108 17.790 -35.276 14.521 1.00 14.32 ATOM 1696 HD21 ASN 108 18.282 -34.424 14.501 1.00 71.40 ATOM 1697 HD22 ASN 108 18.224 -36.140 14.681 1.00 31.43 ATOM 1698 C ASN 108 14.113 -33.772 15.911 1.00 12.25 ATOM 1699 O ASN 108 13.070 -33.138 15.747 1.00 60.25 ATOM 1700 N LYS 109 14.153 -34.948 16.528 1.00 63.23 ATOM 1701 HN LYS 109 15.020 -35.400 16.646 1.00 37.26 ATOM 1702 CA LYS 109 12.949 -35.576 17.059 1.00 63.33 ATOM 1703 HA LYS 109 12.274 -35.758 16.235 1.00 32.15 ATOM 1704 CB LYS 109 13.295 -36.913 17.718 1.00 21.14 ATOM 1705 HB1 LYS 109 12.385 -37.371 18.069 1.00 37.26 ATOM 1706 HB2 LYS 109 13.942 -36.728 18.566 1.00 41.50 ATOM 1707 CG LYS 109 14.006 -37.883 16.791 1.00 64.10 ATOM 1708 HG1 LYS 109 14.811 -38.357 17.336 1.00 37.26 ATOM 1709 HG2 LYS 109 14.421 -37.354 15.950 1.00 20.50 ATOM 1710 CD LYS 109 13.056 -38.941 16.256 1.00 63.41 ATOM 1711 HD1 LYS 109 13.371 -39.205 15.256 1.00 37.26 ATOM 1712 HD2 LYS 109 12.047 -38.547 16.215 1.00 63.55 ATOM 1713 CE LYS 109 13.078 -40.196 17.116 1.00 15.41 ATOM 1714 HE1 LYS 109 13.605 -40.005 18.034 1.00 37.26 ATOM 1715 HE2 LYS 109 13.583 -40.979 16.573 1.00 43.34 ATOM 1716 NZ LYS 109 11.703 -40.659 17.455 1.00 65.33 ATOM 1717 HZ1 LYS 109 11.218 -40.994 16.598 1.00 20.21 ATOM 1718 HZ2 LYS 109 11.151 -39.884 17.868 1.00 2.42 ATOM 1719 HZ3 LYS 109 11.749 -41.440 18.141 1.00 12.34 ATOM 1720 C LYS 109 12.259 -34.663 18.067 1.00 72.41 ATOM 1721 O LYS 109 11.042 -34.483 18.024 1.00 12.13 ATOM 1722 N VAL 110 13.044 -34.089 18.973 1.00 52.43 ATOM 1723 HN VAL 110 14.014 -34.242 18.925 1.00 37.26 ATOM 1724 CA VAL 110 12.508 -33.192 19.990 1.00 21.00 ATOM 1725 HA VAL 110 11.730 -33.722 20.528 1.00 52.22 ATOM 1726 CB VAL 110 13.595 -32.773 20.998 1.00 61.04 ATOM 1727 HB VAL 110 14.313 -32.139 20.493 1.00 32.45 ATOM 1728 CG1 VAL 110 12.985 -31.980 22.143 1.00 54.42 ATOM 1729 HG11 VAL 110 13.756 -31.705 22.844 1.00 31.51 ATOM 1730 HG12 VAL 110 12.243 -32.581 22.649 1.00 13.43 ATOM 1731 HG13 VAL 110 12.520 -31.082 21.765 1.00 53.11 ATOM 1732 CG2 VAL 110 14.336 -33.995 21.520 1.00 41.41 ATOM 1733 HG21 VAL 110 15.082 -33.681 22.234 1.00 2.32 ATOM 1734 HG22 VAL 110 14.830 -34.507 20.712 1.00 33.04 ATOM 1735 HG23 VAL 110 13.653 -34.658 21.995 1.00 64.23 ATOM 1736 C VAL 110 11.906 -31.942 19.359 1.00 45.52 ATOM 1737 O VAL 110 10.745 -31.609 19.599 1.00 40.23 ATOM 1738 N LEU 111 12.704 -31.252 18.550 1.00 15.12 ATOM 1739 HN LEU 111 13.627 -31.570 18.401 1.00 37.26 ATOM 1740 CA LEU 111 12.250 -30.037 17.883 1.00 50.34 ATOM 1741 HA LEU 111 12.083 -29.288 18.645 1.00 10.34 ATOM 1742 CB LEU 111 13.317 -29.540 16.905 1.00 15.21 ATOM 1743 HB1 LEU 111 13.124 -29.981 15.932 1.00 37.26 ATOM 1744 HB2 LEU 111 14.285 -29.899 17.239 1.00 43.11 ATOM 1745 CG LEU 111 13.415 -28.024 16.733 1.00 1.40 ATOM 1746 HG LEU 111 12.425 -27.620 16.574 1.00 22.42 ATOM 1747 CD1 LEU 111 13.989 -27.380 17.986 1.00 33.40 ATOM 1748 HD11 LEU 111 15.042 -27.173 17.860 1.00 72.32 ATOM 1749 HD12 LEU 111 13.861 -28.029 18.843 1.00 25.05 ATOM 1750 HD13 LEU 111 13.468 -26.460 18.172 1.00 13.42 ATOM 1751 CD2 LEU 111 14.264 -27.679 15.518 1.00 51.10 ATOM 1752 HD21 LEU 111 13.826 -28.121 14.633 1.00 71.32 ATOM 1753 HD22 LEU 111 15.267 -28.062 15.651 1.00 52.21 ATOM 1754 HD23 LEU 111 14.304 -26.605 15.396 1.00 44.40 ATOM 1755 C LEU 111 10.939 -30.279 17.142 1.00 33.30 ATOM 1756 O LEU 111 9.984 -29.516 17.284 1.00 14.11 ATOM 1757 N SER 112 10.900 -31.348 16.353 1.00 33.30 ATOM 1758 HN SER 112 11.700 -31.923 16.278 1.00 37.26 ATOM 1759 CA SER 112 9.706 -31.691 15.589 1.00 60.03 ATOM 1760 HA SER 112 9.491 -30.872 14.916 1.00 72.43 ATOM 1761 CB SER 112 9.949 -32.956 14.764 1.00 71.24 ATOM 1762 HB1 SER 112 9.088 -33.149 14.138 1.00 37.26 ATOM 1763 HB2 SER 112 10.108 -33.796 15.426 1.00 1.44 ATOM 1764 OG SER 112 11.091 -32.815 13.937 1.00 2.40 ATOM 1765 HG SER 112 10.860 -32.315 13.150 1.00 30.13 ATOM 1766 C SER 112 8.509 -31.895 16.513 1.00 42.22 ATOM 1767 O SER 112 7.361 -31.702 16.112 1.00 65.12 ATOM 1768 N SER 113 8.787 -32.286 17.752 1.00 34.05 ATOM 1769 HN SER 113 9.709 -32.477 18.008 1.00 37.26 ATOM 1770 CA SER 113 7.734 -32.520 18.734 1.00 73.22 ATOM 1771 HA SER 113 6.914 -33.032 18.244 1.00 31.52 ATOM 1772 CB SER 113 8.252 -33.407 19.868 1.00 42.42 ATOM 1773 HB1 SER 113 8.936 -32.852 20.493 1.00 37.26 ATOM 1774 HB2 SER 113 8.766 -34.254 19.441 1.00 12.43 ATOM 1775 OG SER 113 7.186 -33.881 20.672 1.00 25.30 ATOM 1776 HG SER 113 6.908 -33.191 21.280 1.00 43.02 ATOM 1777 C SER 113 7.216 -31.201 19.300 1.00 72.50 ATOM 1778 O SER 113 6.007 -30.979 19.381 1.00 40.13 ATOM 1779 N LEU 114 8.139 -30.330 19.691 1.00 11.11 ATOM 1780 HN LEU 114 9.091 -30.560 19.584 1.00 37.26 ATOM 1781 CA LEU 114 7.777 -29.032 20.250 1.00 4.04 ATOM 1782 HA LEU 114 7.097 -29.195 21.076 1.00 35.13 ATOM 1783 CB LEU 114 9.024 -28.314 20.772 1.00 74.41 ATOM 1784 HB1 LEU 114 8.704 -27.408 21.271 1.00 37.26 ATOM 1785 HB2 LEU 114 9.636 -28.036 19.921 1.00 14.52 ATOM 1786 CG LEU 114 9.900 -29.110 21.740 1.00 43.31 ATOM 1787 HG LEU 114 10.286 -29.978 21.241 1.00 72.43 ATOM 1788 CD1 LEU 114 11.087 -28.274 22.195 1.00 32.20 ATOM 1789 HD11 LEU 114 10.738 -27.378 22.690 1.00 14.45 ATOM 1790 HD12 LEU 114 11.689 -28.004 21.339 1.00 62.25 ATOM 1791 HD13 LEU 114 11.682 -28.850 22.876 1.00 12.41 ATOM 1792 CD2 LEU 114 9.085 -29.578 22.936 1.00 12.45 ATOM 1793 HD21 LEU 114 8.300 -30.243 22.607 1.00 42.31 ATOM 1794 HD22 LEU 114 8.648 -28.725 23.437 1.00 21.23 ATOM 1795 HD23 LEU 114 9.727 -30.107 23.628 1.00 50.41 ATOM 1796 C LEU 114 7.077 -28.166 19.208 1.00 31.03 ATOM 1797 O LEU 114 6.054 -27.542 19.491 1.00 40.35 ATOM 1798 N VAL 115 7.633 -28.135 18.001 1.00 3.35 ATOM 1799 HN VAL 115 8.439 -28.674 17.831 1.00 37.26 ATOM 1800 CA VAL 115 7.060 -27.348 16.916 1.00 64.34 ATOM 1801 HA VAL 115 7.065 -26.307 17.216 1.00 71.14 ATOM 1802 CB VAL 115 7.889 -27.486 15.625 1.00 61.43 ATOM 1803 HB VAL 115 7.898 -28.527 15.332 1.00 12.32 ATOM 1804 CG1 VAL 115 7.260 -26.681 14.498 1.00 64.34 ATOM 1805 HG11 VAL 115 7.930 -26.660 13.648 1.00 14.32 ATOM 1806 HG12 VAL 115 7.074 -25.668 14.827 1.00 35.31 ATOM 1807 HG13 VAL 115 6.329 -27.137 14.195 1.00 1.11 ATOM 1808 CG2 VAL 115 9.326 -27.050 15.865 1.00 3.14 ATOM 1809 HG21 VAL 115 9.664 -27.325 16.847 1.00 12.13 ATOM 1810 HG22 VAL 115 9.405 -25.975 15.766 1.00 13.32 ATOM 1811 HG23 VAL 115 9.963 -27.518 15.128 1.00 44.41 ATOM 1812 C VAL 115 5.623 -27.769 16.631 1.00 30.33 ATOM 1813 O VAL 115 4.811 -26.971 16.163 1.00 13.53 ATOM 1814 N THR 116 5.314 -29.030 16.918 1.00 73.25 ATOM 1815 HN THR 116 6.003 -29.642 17.260 1.00 37.26 ATOM 1816 CA THR 116 3.974 -29.559 16.692 1.00 2.43 ATOM 1817 HA THR 116 3.606 -29.174 15.746 1.00 20.04 ATOM 1818 CB THR 116 3.984 -31.097 16.607 1.00 1.41 ATOM 1819 HB THR 116 4.382 -31.493 17.532 1.00 10.44 ATOM 1820 OG1 THR 116 4.816 -31.522 15.522 1.00 54.23 ATOM 1821 HG1 THR 116 5.133 -32.414 15.688 1.00 52.02 ATOM 1822 CG2 THR 116 2.575 -31.637 16.415 1.00 1.10 ATOM 1823 HG21 THR 116 1.992 -31.488 17.310 1.00 23.41 ATOM 1824 HG22 THR 116 2.628 -32.694 16.201 1.00 62.44 ATOM 1825 HG23 THR 116 2.098 -31.131 15.586 1.00 41.54 ATOM 1826 C THR 116 3.020 -29.128 17.800 1.00 30.55 ATOM 1827 O THR 116 1.926 -28.629 17.533 1.00 61.31 ATOM 1828 N LEU 117 3.440 -29.324 19.045 1.00 1.04 ATOM 1829 HN LEU 117 4.325 -29.735 19.197 1.00 37.26 ATOM 1830 CA LEU 117 2.622 -28.955 20.196 1.00 63.12 ATOM 1831 HA LEU 117 1.738 -29.571 20.186 1.00 71.32 ATOM 1832 CB LEU 117 3.386 -29.219 21.495 1.00 52.32 ATOM 1833 HB1 LEU 117 4.368 -28.775 21.398 1.00 37.26 ATOM 1834 HB2 LEU 117 3.506 -30.290 21.597 1.00 44.10 ATOM 1835 CG LEU 117 2.742 -28.680 22.773 1.00 60.01 ATOM 1836 HG LEU 117 2.665 -27.607 22.716 1.00 31.03 ATOM 1837 CD1 LEU 117 1.335 -29.233 22.936 1.00 71.31 ATOM 1838 HD11 LEU 117 1.370 -30.313 22.976 1.00 30.22 ATOM 1839 HD12 LEU 117 0.719 -28.925 22.106 1.00 35.24 ATOM 1840 HD13 LEU 117 0.902 -28.857 23.853 1.00 64.04 ATOM 1841 CD2 LEU 117 3.596 -29.023 23.985 1.00 14.52 ATOM 1842 HD21 LEU 117 4.635 -28.807 23.781 1.00 40.53 ATOM 1843 HD22 LEU 117 3.484 -30.061 24.215 1.00 12.43 ATOM 1844 HD23 LEU 117 3.269 -28.434 24.829 1.00 0.53 ATOM 1845 C LEU 117 2.211 -27.488 20.123 1.00 33.13 ATOM 1846 O LEU 117 1.088 -27.130 20.478 1.00 64.12 ATOM 1847 N ASN 118 3.127 -26.644 19.659 1.00 34.13 ATOM 1848 HN ASN 118 4.014 -26.983 19.394 1.00 37.26 ATOM 1849 CA ASN 118 2.858 -25.216 19.538 1.00 1.34 ATOM 1850 HA ASN 118 2.384 -24.878 20.452 1.00 63.21 ATOM 1851 CB ASN 118 4.166 -24.444 19.353 1.00 50.32 ATOM 1852 HB1 ASN 118 4.792 -24.973 18.648 1.00 37.26 ATOM 1853 HB2 ASN 118 4.679 -24.380 20.299 1.00 14.23 ATOM 1854 CG ASN 118 3.939 -23.040 18.825 1.00 60.31 ATOM 1855 OD1 ASN 118 4.035 -22.794 17.622 1.00 31.44 ATOM 1856 ND2 ASN 118 3.636 -22.112 19.725 1.00 45.34 ATOM 1857 HD21 ASN 118 3.556 -22.372 20.639 1.00 44.05 ATOM 1858 HD22 ASN 118 3.506 -21.193 19.412 1.00 50.03 ATOM 1859 C ASN 118 1.919 -24.936 18.369 1.00 11.22 ATOM 1860 O ASN 118 1.158 -23.968 18.387 1.00 32.23 ATOM 1861 N LYS 119 1.978 -25.790 17.353 1.00 55.31 ATOM 1862 HN LYS 119 2.622 -26.528 17.374 1.00 37.26 ATOM 1863 CA LYS 119 1.132 -25.637 16.175 1.00 72.20 ATOM 1864 HA LYS 119 1.114 -24.588 15.899 1.00 23.23 ATOM 1865 CB LYS 119 1.696 -26.451 15.008 1.00 52.20 ATOM 1866 HB1 LYS 119 0.903 -26.663 14.300 1.00 37.26 ATOM 1867 HB2 LYS 119 2.077 -27.389 15.391 1.00 73.33 ATOM 1868 CG LYS 119 2.808 -25.743 14.254 1.00 3.33 ATOM 1869 HG1 LYS 119 3.490 -25.291 14.962 1.00 37.26 ATOM 1870 HG2 LYS 119 2.374 -24.971 13.634 1.00 23.30 ATOM 1871 CD LYS 119 3.586 -26.706 13.373 1.00 13.10 ATOM 1872 HD1 LYS 119 4.007 -27.491 13.983 1.00 37.26 ATOM 1873 HD2 LYS 119 4.383 -26.163 12.886 1.00 64.14 ATOM 1874 CE LYS 119 2.694 -27.335 12.314 1.00 62.54 ATOM 1875 HE1 LYS 119 1.933 -26.626 12.009 1.00 37.26 ATOM 1876 HE2 LYS 119 2.220 -28.208 12.735 1.00 5.25 ATOM 1877 NZ LYS 119 3.468 -27.744 11.109 1.00 63.12 ATOM 1878 HZ1 LYS 119 4.195 -28.444 11.366 1.00 42.21 ATOM 1879 HZ2 LYS 119 3.933 -26.918 10.679 1.00 40.23 ATOM 1880 HZ3 LYS 119 2.830 -28.169 10.406 1.00 10.44 ATOM 1881 C LYS 119 -0.298 -26.077 16.471 1.00 32.42 ATOM 1882 O LYS 119 -1.249 -25.333 16.234 1.00 54.21 ATOM 1883 N VAL 120 -0.443 -27.292 16.992 1.00 0.34 ATOM 1884 HN VAL 120 0.356 -27.850 17.121 1.00 37.26 ATOM 1885 CA VAL 120 -1.757 -27.830 17.324 1.00 41.24 ATOM 1886 HA VAL 120 -2.323 -27.927 16.406 1.00 2.24 ATOM 1887 CB VAL 120 -1.645 -29.219 17.980 1.00 13.32 ATOM 1888 HB VAL 120 -2.632 -29.537 18.281 1.00 11.21 ATOM 1889 CG1 VAL 120 -1.113 -30.239 16.985 1.00 1.43 ATOM 1890 HG11 VAL 120 -0.123 -29.951 16.660 1.00 62.21 ATOM 1891 HG12 VAL 120 -1.771 -30.287 16.129 1.00 11.34 ATOM 1892 HG13 VAL 120 -1.068 -31.213 17.453 1.00 3.34 ATOM 1893 CG2 VAL 120 -0.760 -29.154 19.215 1.00 1.15 ATOM 1894 HG21 VAL 120 0.169 -28.710 18.969 1.00 10.52 ATOM 1895 HG22 VAL 120 -0.577 -30.147 19.594 1.00 23.43 ATOM 1896 HG23 VAL 120 -1.246 -28.568 19.980 1.00 21.01 ATOM 1897 C VAL 120 -2.513 -26.896 18.262 1.00 41.44 ATOM 1898 O VAL 120 -3.744 -26.873 18.275 1.00 32.43 ATOM 1899 N THR 121 -1.768 -26.123 19.046 1.00 24.22 ATOM 1900 HN THR 121 -0.789 -26.201 19.034 1.00 37.26 ATOM 1901 CA THR 121 -2.367 -25.187 19.988 1.00 3.35 ATOM 1902 HA THR 121 -3.324 -25.582 20.317 1.00 41.12 ATOM 1903 CB THR 121 -1.473 -24.988 21.228 1.00 54.45 ATOM 1904 HB THR 121 -1.780 -24.099 21.753 1.00 71.02 ATOM 1905 OG1 THR 121 -0.106 -24.843 20.828 1.00 51.15 ATOM 1906 HG1 THR 121 0.050 -23.942 20.535 1.00 20.01 ATOM 1907 CG2 THR 121 -1.606 -26.163 22.184 1.00 5.13 ATOM 1908 HG21 THR 121 -1.830 -25.790 23.172 1.00 21.44 ATOM 1909 HG22 THR 121 -0.677 -26.713 22.216 1.00 3.14 ATOM 1910 HG23 THR 121 -2.400 -26.829 21.870 1.00 32.11 ATOM 1911 C THR 121 -2.617 -23.833 19.334 1.00 13.10 ATOM 1912 O THR 121 -3.495 -23.081 19.757 1.00 32.51 ATOM 1913 N ALA 122 -1.841 -23.528 18.299 1.00 21.33 ATOM 1914 HN ALA 122 -1.131 -24.141 18.027 1.00 37.26 ATOM 1915 CA ALA 122 -1.981 -22.266 17.585 1.00 51.34 ATOM 1916 HA ALA 122 -1.922 -21.459 18.305 1.00 52.33 ATOM 1917 CB ALA 122 -0.840 -22.091 16.593 1.00 10.24 ATOM 1918 HB1 ALA 122 0.101 -22.120 17.121 1.00 54.24 ATOM 1919 HB2 ALA 122 -0.937 -21.139 16.089 1.00 32.11 ATOM 1920 HB3 ALA 122 -0.867 -22.889 15.864 1.00 2.42 ATOM 1921 C ALA 122 -3.324 -22.187 16.867 1.00 33.21 ATOM 1922 O ALA 122 -3.934 -21.121 16.785 1.00 44.40 ATOM 1923 N ASP 123 -3.780 -23.322 16.349 1.00 60.32 ATOM 1924 HN ASP 123 -3.245 -24.146 16.432 1.00 37.26 ATOM 1925 CA ASP 123 -5.052 -23.382 15.638 1.00 0.11 ATOM 1926 HA ASP 123 -5.031 -22.632 14.855 1.00 2.12 ATOM 1927 CB ASP 123 -5.242 -24.761 15.004 1.00 12.22 ATOM 1928 HB1 ASP 123 -5.513 -25.482 15.765 1.00 37.26 ATOM 1929 HB2 ASP 123 -4.312 -25.068 14.547 1.00 73.43 ATOM 1930 CG ASP 123 -6.312 -24.762 13.930 1.00 11.31 ATOM 1931 OD1 ASP 123 -7.354 -25.420 14.131 1.00 24.42 ATOM 1932 OD2 ASP 123 -6.108 -24.104 12.888 1.00 63.21 ATOM 1933 C ASP 123 -6.214 -23.076 16.577 1.00 12.54 ATOM 1934 O ASP 123 -7.268 -22.608 16.145 1.00 40.23 ATOM 1935 N ILE 124 -6.015 -23.343 17.864 1.00 71.14 ATOM 1936 HN ILE 124 -5.155 -23.714 18.159 1.00 37.26 ATOM 1937 CA ILE 124 -7.047 -23.096 18.863 1.00 4.14 ATOM 1938 HA ILE 124 -7.976 -23.529 18.506 1.00 72.51 ATOM 1939 CB ILE 124 -6.695 -23.755 20.210 1.00 4.22 ATOM 1940 HB ILE 124 -5.798 -23.291 20.595 1.00 62.34 ATOM 1941 CG1 ILE 124 -6.437 -25.251 20.019 1.00 11.10 ATOM 1942 HG11 ILE 124 -5.657 -25.398 19.287 1.00 37.26 ATOM 1943 HG12 ILE 124 -7.341 -25.730 19.671 1.00 61.14 ATOM 1944 CG2 ILE 124 -7.811 -23.528 21.218 1.00 32.54 ATOM 1945 HG21 ILE 124 -7.584 -24.034 22.145 1.00 62.50 ATOM 1946 HG22 ILE 124 -8.742 -23.910 20.825 1.00 22.34 ATOM 1947 HG23 ILE 124 -7.916 -22.475 21.423 1.00 53.01 ATOM 1948 CD1 ILE 124 -6.001 -25.955 21.285 1.00 71.55 ATOM 1949 HD11 ILE 124 -6.836 -26.028 21.965 1.00 11.23 ATOM 1950 HD12 ILE 124 -5.199 -25.402 21.755 1.00 4.01 ATOM 1951 HD13 ILE 124 -5.654 -26.948 21.039 1.00 51.34 ATOM 1952 C ILE 124 -7.255 -21.601 19.081 1.00 44.15 ATOM 1953 O ILE 124 -8.341 -21.163 19.456 1.00 52.35 ATOM 1954 N GLY 125 -6.204 -20.822 18.840 1.00 13.42 ATOM 1955 HN GLY 125 -5.346 -21.209 18.561 1.00 37.26 ATOM 1956 CA GLY 125 -6.293 -19.383 19.013 1.00 22.42 ATOM 1957 HA1 GLY 125 -7.320 -19.053 18.915 1.00 37.26 ATOM 1958 HA2 GLY 125 -5.710 -18.911 18.235 1.00 65.12 ATOM 1959 C GLY 125 -5.759 -18.927 20.356 1.00 23.14 ATOM 1960 O GLY 125 -6.529 -18.633 21.272 1.00 63.51 ATOM 1961 N LEU 126 -4.437 -18.869 20.477 1.00 51.43 ATOM 1962 HN LEU 126 -3.874 -19.090 19.697 1.00 37.26 ATOM 1963 HA LEU 126 -4.277 -18.967 22.541 1.00 71.31 ATOM 1964 CB LEU 126 -2.316 -18.815 21.705 1.00 25.54 ATOM 1965 HB1 LEU 126 -1.903 -18.603 22.683 1.00 37.26 ATOM 1966 HB2 LEU 126 -1.822 -18.170 20.985 1.00 25.14 ATOM 1967 CG LEU 126 -1.988 -20.264 21.343 1.00 63.32 ATOM 1968 HG LEU 126 -2.524 -20.546 20.451 1.00 63.44 ATOM 1969 CD1 LEU 126 -0.503 -20.419 21.051 1.00 11.25 ATOM 1970 HD11 LEU 126 -0.224 -19.766 20.236 1.00 52.11 ATOM 1971 HD12 LEU 126 -0.293 -21.443 20.773 1.00 55.45 ATOM 1972 HD13 LEU 126 0.071 -20.160 21.930 1.00 74.53 ATOM 1973 CD2 LEU 126 -2.414 -21.204 22.462 1.00 51.45 ATOM 1974 HD21 LEU 126 -3.475 -21.095 22.642 1.00 4.42 ATOM 1975 HD22 LEU 126 -1.871 -20.966 23.366 1.00 43.34 ATOM 1976 HD23 LEU 126 -2.206 -22.218 22.178 1.00 2.22 ATOM 1977 CA LEU 126 -3.800 -18.446 21.719 1.00 21.22 ATOM 1978 C LEU 126 -3.960 -16.944 21.930 1.00 20.00 ATOM 1979 OT1 LEU 126 -3.569 -16.171 21.028 1.00 37.26 ATOM 1980 OT2 LEU 126 -4.476 -16.549 22.997 1.00 37.26 ATOM 1981 OH2 TIP3 1 -8.250 -47.705 14.689 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -8.288 -48.351 15.394 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -8.573 -48.171 13.918 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -4.544 -44.766 12.991 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -4.985 -45.486 13.441 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -4.557 -44.045 13.621 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -7.433 -39.661 13.203 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -6.813 -40.338 12.930 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -7.641 -39.879 14.111 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -9.861 -45.272 15.095 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -9.557 -45.958 14.501 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -9.139 -45.154 15.713 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -12.186 -46.183 17.057 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -12.926 -45.585 17.160 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -11.472 -45.629 16.741 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -13.778 -44.219 17.844 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -13.784 -43.340 17.466 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -14.632 -44.302 18.269 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -4.032 -42.926 15.339 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -4.974 -42.868 15.500 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -3.756 -42.020 15.202 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -5.780 -41.145 11.964 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -5.355 -41.852 11.479 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -5.463 -40.344 11.547 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -2.935 -44.678 18.950 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -2.795 -45.269 18.211 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -2.767 -43.805 18.594 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -12.044 -43.448 14.238 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -12.139 -44.026 13.481 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -11.315 -43.819 14.734 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -12.164 -43.708 19.907 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -12.476 -42.926 20.363 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -12.814 -43.861 19.221 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -13.925 -41.636 20.671 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -13.917 -41.772 19.723 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -14.841 -41.754 20.923 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -7.568 -48.963 17.309 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -7.244 -49.594 16.666 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -8.008 -49.498 17.970 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -3.150 -46.514 16.865 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -2.508 -46.057 16.322 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -3.980 -46.401 16.403 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -8.780 -45.463 19.316 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -9.126 -45.844 20.122 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -8.980 -44.529 19.387 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -11.150 -48.374 21.376 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -11.446 -48.540 20.481 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -10.219 -48.594 21.366 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -0.835 -44.956 20.470 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -1.687 -44.718 20.103 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -0.245 -44.973 19.717 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -5.343 -47.162 15.120 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -6.271 -47.394 15.093 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -4.892 -47.939 14.790 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -10.858 -41.022 17.144 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -10.495 -40.167 16.911 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -10.326 -41.314 17.885 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -7.314 -44.923 16.845 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -7.740 -45.150 17.671 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -6.733 -45.661 16.662 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -13.074 -40.527 23.129 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -12.306 -40.986 23.470 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -13.095 -40.753 22.199 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -11.109 -45.666 21.896 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -11.437 -45.395 21.038 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -10.957 -46.607 21.808 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -5.374 -45.750 19.279 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -4.629 -45.162 19.159 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -6.131 -45.168 19.342 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -7.965 -46.956 22.535 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -7.012 -46.872 22.507 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -8.125 -47.667 23.154 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -10.651 -48.263 18.072 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -9.900 -48.419 17.499 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -10.990 -47.411 17.796 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -4.919 -47.659 21.178 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -5.200 -46.950 20.600 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -3.976 -47.732 21.027 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -2.655 -44.110 23.070 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -3.521 -44.215 23.464 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -2.279 -43.351 23.517 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -1.201 -45.015 15.356 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -0.367 -45.393 15.075 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -1.089 -44.072 15.237 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -2.317 -47.309 20.610 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -1.734 -48.043 20.801 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -1.753 -46.537 20.656 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -3.931 -39.377 11.082 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -3.278 -39.724 10.474 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -3.420 -38.888 11.728 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -13.592 -41.473 17.884 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -14.017 -40.664 17.601 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -12.687 -41.388 17.582 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -13.723 -38.617 16.961 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -14.588 -38.545 17.365 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -13.778 -38.070 16.177 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -9.012 -38.729 16.137 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -9.469 -38.200 15.483 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -8.849 -38.126 16.862 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -12.097 -40.414 14.345 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -11.884 -41.302 14.058 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -12.032 -40.448 15.300 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -1.951 -39.597 9.090 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -2.145 -40.345 8.525 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -1.990 -38.839 8.506 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -4.544 -44.766 31.847 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -4.985 -45.486 32.297 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -4.557 -44.045 32.477 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -7.433 -39.661 32.059 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -6.813 -40.338 31.786 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -7.641 -39.879 32.967 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -7.386 -44.359 29.169 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -7.682 -44.681 28.318 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -7.710 -43.459 29.211 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -4.032 -42.926 34.195 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -4.974 -42.868 34.356 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -3.756 -42.020 34.058 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -5.780 -41.145 30.820 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -5.355 -41.852 30.335 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -5.463 -40.344 30.403 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -4.621 -43.244 29.329 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -4.878 -43.934 28.717 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -4.550 -43.687 30.174 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -1.093 -48.338 35.872 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -1.745 -47.643 35.961 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -0.628 -48.128 35.062 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -6.735 -42.604 34.780 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -6.976 -41.942 35.428 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -6.933 -43.438 35.205 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -8.459 -41.607 29.650 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.985 -41.312 30.428 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -9.022 -40.869 29.417 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -9.401 -42.423 38.259 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -9.314 -41.597 38.734 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -10.265 -42.753 38.508 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.987 -38.651 28.065 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -9.062 -38.772 27.119 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.954 -37.701 28.184 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -4.708 -47.311 23.845 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -4.666 -47.534 22.915 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -3.859 -46.913 24.035 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -10.300 -45.647 26.935 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -11.044 -46.154 26.612 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -10.434 -45.598 27.881 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -3.150 -46.514 35.721 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -2.508 -46.057 35.178 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -3.980 -46.401 35.259 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -8.780 -45.463 38.172 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -9.126 -45.844 38.978 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -8.980 -44.529 38.243 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -8.174 -44.188 25.960 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -8.469 -43.362 26.342 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -8.877 -44.808 26.156 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -6.530 -43.001 38.122 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -7.431 -42.818 37.854 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -6.496 -42.742 39.043 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -7.314 -44.923 35.701 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -7.740 -45.150 36.527 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -6.733 -45.661 35.518 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -5.111 -43.994 24.775 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -4.758 -44.374 25.579 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -6.060 -44.087 24.861 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -4.245 -45.321 27.001 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -4.522 -46.049 27.557 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.318 -45.202 27.207 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -11.020 -42.882 23.222 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -10.781 -43.630 22.674 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -11.289 -43.270 24.054 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -12.083 -43.312 25.678 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -11.936 -43.832 26.468 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -12.086 -42.405 25.984 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -9.345 -41.614 26.427 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -10.162 -41.117 26.480 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -8.816 -41.139 25.787 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -12.007 -40.571 26.409 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -11.846 -39.771 25.908 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -12.204 -40.264 27.294 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -6.497 -42.147 40.714 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.848 -43.003 40.957 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -5.771 -42.004 41.321 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -13.423 -45.292 23.451 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -13.359 -46.086 23.982 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -12.770 -45.411 22.762 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -5.374 -45.750 38.135 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -4.629 -45.162 38.015 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -6.131 -45.168 38.198 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -1.813 -46.722 23.465 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -2.086 -47.147 22.652 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -1.773 -45.791 23.248 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.919 -47.659 40.034 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -5.200 -46.950 39.456 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -3.976 -47.732 39.883 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -11.305 -38.386 25.021 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -10.372 -38.228 25.165 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -11.569 -37.711 24.396 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -2.655 -44.110 41.926 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -3.521 -44.215 42.320 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -2.279 -43.351 42.373 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -1.354 -45.853 27.440 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -0.504 -45.432 27.568 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -1.349 -46.593 28.048 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -0.960 -47.800 29.264 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -1.686 -48.279 29.662 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -0.379 -47.594 29.996 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -1.201 -45.015 34.212 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -0.367 -45.393 33.931 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -1.089 -44.072 34.093 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -0.692 -47.899 25.655 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -1.213 -47.542 24.936 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -0.725 -47.224 26.333 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -2.317 -47.309 39.466 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -1.734 -48.043 39.657 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -1.753 -46.537 39.512 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -9.281 -40.074 39.699 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -9.096 -40.408 40.577 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -8.434 -39.765 39.377 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -6.936 -38.789 38.943 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -6.259 -39.421 38.703 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -6.614 -38.387 39.751 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -9.012 -38.729 34.993 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -9.469 -38.200 34.339 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -8.849 -38.126 35.718 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -6.685 -39.851 35.938 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -7.589 -39.686 35.672 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -6.256 -38.998 35.872 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -8.660 -39.160 25.266 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -7.794 -38.794 25.088 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -8.907 -39.600 24.453 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -1.297 -42.228 43.261 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -1.224 -41.289 43.431 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -0.392 -42.533 43.204 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -5.885 -39.497 43.924 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.510 -40.241 43.453 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -5.881 -39.767 44.842 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -4.708 -47.311 42.701 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -4.666 -47.534 41.771 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -3.859 -46.913 42.891 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -2.503 -41.970 45.810 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -2.876 -42.796 46.120 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -2.226 -42.153 44.913 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -5.111 -43.994 43.631 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -4.758 -44.374 44.435 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -6.060 -44.087 43.717 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -0.607 -39.514 43.832 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 0.136 -38.928 43.692 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -1.302 -38.946 44.165 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -8.982 -41.019 42.216 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -9.626 -41.650 42.538 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -8.220 -41.550 41.984 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -4.378 -41.202 42.450 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -4.095 -41.996 42.903 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -3.638 -40.969 41.889 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -8.071 -44.245 42.043 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -8.339 -44.065 42.944 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -8.277 -45.171 41.912 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -1.813 -46.722 42.321 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -2.086 -47.147 41.508 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -1.773 -45.791 42.104 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -14.958 -24.784 14.817 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -15.328 -25.586 14.448 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -14.017 -24.953 14.864 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -6.720 -32.022 15.423 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -6.577 -32.969 15.443 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -6.826 -31.815 14.494 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -11.789 -29.974 12.673 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -11.173 -30.500 13.182 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -12.375 -30.614 12.269 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -12.186 -27.327 17.057 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -12.926 -26.729 17.160 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -11.472 -26.773 16.741 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.079 -34.499 13.077 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -4.294 -35.265 13.609 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -3.423 -34.027 13.590 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -13.778 -25.363 17.844 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -13.784 -24.484 17.466 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -14.632 -25.446 18.269 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -10.729 -37.697 14.222 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -10.846 -38.646 14.168 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -11.584 -37.365 14.495 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -8.462 -28.860 8.722 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -9.174 -28.325 8.371 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -7.771 -28.804 8.062 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -5.056 -28.650 9.674 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -5.788 -28.422 10.247 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -4.609 -29.364 10.129 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -13.411 -28.020 11.557 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -13.741 -28.390 10.738 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -12.823 -28.690 11.903 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -12.044 -24.592 14.238 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -12.139 -25.170 13.481 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -11.315 -24.963 14.734 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -13.044 -29.251 15.190 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -12.479 -29.130 14.427 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -12.725 -28.614 15.829 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -12.164 -24.852 19.907 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -12.476 -24.070 20.363 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -12.814 -25.005 19.221 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -6.185 -29.488 7.359 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -5.606 -29.338 8.106 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -5.771 -29.017 6.636 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -13.925 -22.780 20.671 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -13.917 -22.916 19.723 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -14.841 -22.898 20.923 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -8.987 -19.795 9.209 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -9.062 -19.916 8.263 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -8.954 -18.845 9.328 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -5.885 -20.641 6.212 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -5.510 -21.385 5.741 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -5.881 -20.911 7.130 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -6.216 -20.715 8.961 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -7.151 -20.615 9.140 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -5.936 -21.424 9.539 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -8.797 -37.072 18.374 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -8.377 -37.487 19.127 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -9.730 -37.250 18.491 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -7.836 -31.191 9.824 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -8.245 -30.376 9.532 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -7.116 -31.331 9.209 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -8.734 -31.016 21.312 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -9.297 -31.720 21.632 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -7.908 -31.136 21.779 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -6.832 -31.745 12.638 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -7.027 -31.140 11.923 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -6.650 -32.579 12.203 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -7.568 -30.107 17.309 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -7.244 -30.738 16.666 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -8.008 -30.642 17.970 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -6.385 -34.945 15.357 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -7.062 -34.814 16.021 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -6.871 -35.100 14.547 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -9.470 -31.392 13.980 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -8.906 -31.939 13.433 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -9.618 -31.914 14.769 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -10.300 -26.791 8.079 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -11.044 -27.298 7.756 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -10.434 -26.742 9.025 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -8.174 -25.332 7.104 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -8.469 -24.506 7.486 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -8.877 -25.952 7.300 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -11.150 -29.518 21.376 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -11.446 -29.684 20.481 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -10.219 -29.738 21.366 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -0.799 -31.900 7.633 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -1.353 -32.296 6.961 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -0.698 -30.990 7.356 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -2.503 -23.114 8.098 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -2.876 -23.940 8.408 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -2.226 -23.297 7.201 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -12.800 -23.978 11.253 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -12.273 -23.205 11.052 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -13.680 -23.753 10.951 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -11.373 -26.315 10.829 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -11.614 -25.390 10.871 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -12.113 -26.774 11.225 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -12.689 -21.293 10.374 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -13.639 -21.188 10.426 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -12.338 -20.473 10.719 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -5.111 -25.138 5.919 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -4.758 -25.518 6.723 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -6.060 -25.231 6.005 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -4.245 -26.465 8.145 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -4.522 -27.193 8.701 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -3.318 -26.346 8.351 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -7.798 -34.541 17.611 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -7.100 -34.467 18.261 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -8.179 -35.405 17.766 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -9.345 -22.758 7.571 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -10.162 -22.261 7.624 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -8.816 -22.283 6.931 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -9.278 -32.175 18.728 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -9.159 -31.601 19.485 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -8.623 -32.863 18.843 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -4.472 -30.517 13.659 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -5.269 -30.932 13.330 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -4.027 -31.208 14.150 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -13.074 -21.671 23.129 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -12.306 -22.130 23.470 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -13.095 -21.897 22.199 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -11.109 -26.810 21.896 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -11.437 -26.539 21.038 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -10.957 -27.751 21.808 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -12.645 -33.216 20.340 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -12.495 -33.945 19.737 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -12.643 -32.439 19.781 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -12.233 -34.846 17.832 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -11.697 -34.395 17.180 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -13.085 -34.954 17.410 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -10.651 -29.407 18.072 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -9.900 -29.563 17.499 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -10.990 -28.555 17.796 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -11.427 -37.390 18.264 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -11.525 -36.443 18.158 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -12.170 -37.762 17.788 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -10.163 -33.068 21.827 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -10.399 -33.288 22.729 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -10.946 -33.275 21.318 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -11.205 -38.096 20.935 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -10.493 -38.736 20.921 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -11.306 -37.829 20.021 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -10.852 -36.413 22.989 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -10.983 -36.889 22.168 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -11.451 -35.669 22.933 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -1.354 -26.997 8.584 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -0.504 -26.576 8.712 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -1.349 -27.737 9.192 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -0.960 -28.944 10.408 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -1.686 -29.423 10.806 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -0.379 -28.738 11.140 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -0.692 -29.043 6.799 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -1.213 -28.686 6.080 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -0.725 -28.368 7.477 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -3.173 -30.423 10.971 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -3.323 -31.368 10.951 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -3.527 -30.142 11.815 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -2.849 -35.577 9.482 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -2.667 -36.026 10.307 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -3.449 -36.162 9.018 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -3.931 -20.521 11.082 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -3.278 -20.868 10.474 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -3.420 -20.032 11.728 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -13.592 -22.617 17.884 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -14.017 -21.808 17.601 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -12.687 -22.532 17.582 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -13.723 -19.761 16.961 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -14.588 -19.689 17.365 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -13.778 -19.214 16.177 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -14.634 -22.028 13.497 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -14.853 -22.944 13.666 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -13.810 -21.888 13.963 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -12.097 -21.558 14.345 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -11.884 -22.446 14.058 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -12.032 -21.592 15.300 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -8.588 -35.894 13.490 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.263 -36.523 13.745 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -8.024 -36.378 12.887 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -3.446 -37.787 13.602 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -2.842 -37.239 13.101 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -4.315 -37.467 13.362 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -1.719 -36.648 11.936 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -1.107 -37.162 11.409 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -1.336 -35.770 11.959 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -6.125 -37.303 12.774 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -6.049 -37.208 11.825 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -6.401 -38.211 12.903 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -8.660 -20.304 6.410 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -7.794 -19.938 6.232 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -8.907 -20.744 5.597 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -1.951 -20.741 9.090 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -2.145 -21.489 8.525 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -1.990 -19.983 8.506 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -7.433 -20.805 32.059 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -6.813 -21.482 31.786 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -7.641 -21.023 32.967 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -9.861 -26.416 33.951 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.557 -27.102 33.357 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -9.139 -26.298 34.569 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -11.789 -29.974 31.529 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -11.173 -30.500 32.038 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -12.375 -30.614 31.125 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -12.186 -27.327 35.913 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -12.926 -26.729 36.016 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -11.472 -26.773 35.597 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -10.729 -37.697 33.078 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -10.846 -38.646 33.024 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -11.584 -37.365 33.351 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -5.780 -22.289 30.820 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -5.355 -22.996 30.335 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -5.463 -21.488 30.403 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -2.935 -25.822 37.806 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -2.795 -26.413 37.067 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -2.767 -24.949 37.450 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -8.408 -30.402 24.617 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -7.707 -30.380 25.268 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -8.106 -31.030 23.961 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -12.044 -24.592 33.094 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.139 -25.170 32.337 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -11.315 -24.963 33.590 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -13.044 -29.251 34.046 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -12.479 -29.130 33.283 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -12.725 -28.614 34.685 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -6.735 -23.748 34.780 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -6.976 -23.086 35.428 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -6.933 -24.582 35.205 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -8.459 -22.751 29.650 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -7.985 -22.456 30.428 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -9.022 -22.013 29.417 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -0.380 -23.141 39.383 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -0.429 -24.096 39.346 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -1.206 -22.873 39.785 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -9.401 -23.567 38.259 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -9.314 -22.741 38.734 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -10.265 -23.897 38.508 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -8.987 -19.795 28.065 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -9.062 -19.916 27.119 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -8.954 -18.845 28.184 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -5.885 -20.641 25.068 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -5.510 -21.385 24.597 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -5.881 -20.911 25.986 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -6.216 -20.715 27.817 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -7.151 -20.615 27.996 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -5.936 -21.424 28.395 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -3.228 -31.648 39.863 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -3.635 -31.167 39.143 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -3.187 -32.553 39.556 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -8.797 -37.072 37.230 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -8.377 -37.487 37.983 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -9.730 -37.250 37.347 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -8.734 -31.016 40.168 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -9.297 -31.720 40.488 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -7.908 -31.136 40.635 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -12.253 -34.134 23.616 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.684 -34.579 24.346 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.971 -33.762 23.104 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -10.790 -34.180 30.949 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -11.701 -34.123 31.238 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -10.285 -34.240 31.760 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -12.309 -32.551 27.432 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -11.377 -32.422 27.610 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -12.524 -31.881 26.783 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -13.635 -31.356 24.999 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -14.177 -31.736 24.308 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -12.801 -31.162 24.570 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -3.098 -19.273 40.490 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -2.898 -18.849 39.655 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -2.442 -18.930 41.097 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -9.470 -31.392 32.836 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -8.906 -31.939 32.289 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -9.618 -31.914 33.625 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -10.844 -33.004 35.250 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -11.679 -32.550 35.360 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -10.320 -32.728 36.002 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -10.300 -26.791 26.935 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.044 -27.298 26.612 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.434 -26.742 27.881 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -8.780 -26.607 38.172 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -9.126 -26.988 38.978 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -8.980 -25.673 38.243 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -8.174 -25.332 25.960 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -8.469 -24.506 26.342 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -8.877 -25.952 26.156 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -6.530 -24.145 38.122 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -7.431 -23.962 37.854 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -6.496 -23.886 39.043 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -0.835 -26.100 39.326 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -1.687 -25.862 38.959 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -0.245 -26.117 38.573 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -11.373 -26.315 29.685 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -11.614 -25.390 29.727 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -12.113 -26.774 30.081 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -4.655 -21.515 38.170 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -5.257 -22.070 37.675 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -4.374 -20.848 37.544 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -12.083 -24.456 25.678 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -11.936 -24.976 26.468 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -12.086 -23.549 25.984 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -9.345 -22.758 26.427 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -10.162 -22.261 26.480 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -8.816 -22.283 25.787 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -9.814 -33.161 28.399 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -9.002 -32.657 28.445 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -10.059 -33.306 29.313 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -9.278 -32.175 37.584 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -9.159 -31.601 38.341 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -8.623 -32.863 37.699 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -8.930 -36.080 29.337 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -9.277 -35.462 29.982 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -8.272 -35.579 28.856 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -12.007 -21.715 26.409 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -11.846 -20.915 25.908 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -12.204 -21.408 27.294 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -13.273 -35.017 26.025 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -13.356 -34.128 26.371 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -12.383 -35.282 26.256 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -3.385 -21.261 34.137 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -3.541 -20.583 33.480 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -2.453 -21.189 34.340 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -13.423 -26.436 23.451 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -13.359 -27.230 23.982 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -12.770 -26.555 22.762 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -5.374 -26.894 38.135 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -4.629 -26.306 38.015 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -6.131 -26.312 38.198 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -12.274 -28.464 25.757 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -12.733 -28.948 26.443 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -12.019 -29.132 25.121 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -11.203 -30.221 24.020 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -11.383 -30.375 23.092 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -10.252 -30.113 24.064 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -12.233 -34.846 36.688 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -11.697 -34.395 36.036 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -13.085 -34.954 36.266 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -10.651 -29.407 36.928 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -9.900 -29.563 36.355 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -10.990 -28.555 36.652 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -6.235 -31.592 41.956 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -6.043 -32.523 41.845 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -5.378 -31.167 41.946 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -4.919 -28.803 40.034 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -5.200 -28.094 39.456 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -3.976 -28.876 39.883 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -11.427 -37.390 37.120 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -11.525 -36.443 37.014 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -12.170 -37.762 36.644 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -7.447 -33.941 39.759 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -8.395 -33.909 39.891 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -7.135 -34.566 40.413 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -5.813 -35.307 41.764 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -5.910 -36.259 41.758 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -6.135 -35.038 42.625 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -11.305 -19.530 25.021 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -10.372 -19.372 25.165 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -11.569 -18.855 24.396 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -2.655 -25.254 41.926 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -3.521 -25.359 42.320 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -2.279 -24.495 42.373 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -2.714 -23.281 36.519 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -3.362 -22.956 37.144 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -3.232 -23.721 35.844 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -0.820 -30.550 40.150 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -1.683 -30.929 39.985 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -0.216 -31.289 40.076 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -3.931 -20.521 29.938 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -3.278 -20.868 29.330 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -3.420 -20.032 30.584 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -6.685 -20.995 35.938 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -7.589 -20.830 35.672 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -6.256 -20.142 35.872 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -4.080 -19.425 36.233 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -4.262 -18.509 36.022 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -3.904 -19.835 35.386 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -8.588 -35.894 32.346 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -9.263 -36.523 32.601 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -8.024 -36.378 31.743 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -6.125 -37.303 31.630 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -6.049 -37.208 30.681 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -6.401 -38.211 31.759 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -10.538 -35.253 26.871 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -10.360 -35.899 27.554 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -10.592 -34.419 27.338 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -8.660 -20.304 25.266 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -7.794 -19.938 25.088 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -8.907 -20.744 24.453 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -5.909 -38.063 41.403 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -5.833 -38.489 42.257 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -5.016 -38.049 41.061 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -2.733 -21.990 40.096 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.515 -22.176 39.576 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.805 -21.061 40.313 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -2.487 -37.738 44.884 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -3.386 -37.599 45.179 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -2.235 -36.907 44.482 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -4.708 -28.455 42.701 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -4.666 -28.678 41.771 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -3.859 -28.057 42.891 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -0.799 -31.900 45.345 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -1.353 -32.296 44.673 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -0.698 -30.990 45.068 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -1.813 -27.866 42.321 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -2.086 -28.291 41.508 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -1.773 -26.935 42.104 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -2.343 -31.803 43.062 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -2.246 -31.136 42.382 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -2.483 -32.619 42.580 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -3.095 -34.395 42.179 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -2.485 -34.767 42.816 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -3.932 -34.817 42.375 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -0.983 -35.510 43.722 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -0.570 -36.231 43.246 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -0.301 -34.840 43.780 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -2.935 -6.966 0.094 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -2.795 -7.557 -0.645 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -2.767 -6.093 -0.262 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.093 -10.626 -1.840 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -1.745 -9.931 -1.751 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -0.628 -10.416 -2.650 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -0.380 -4.285 1.671 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -0.429 -5.240 1.634 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -1.206 -4.017 2.073 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -3.098 -0.417 2.778 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -2.898 0.007 1.943 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -2.442 -0.074 3.385 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -3.150 -8.802 -1.991 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -2.508 -8.345 -2.534 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -3.980 -8.689 -2.453 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -0.835 -7.244 1.614 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -1.687 -7.006 1.247 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -0.245 -7.261 0.861 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -3.385 -2.405 -3.575 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -3.541 -1.727 -4.232 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -2.453 -2.333 -3.372 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -0.669 -1.755 -3.346 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -0.691 -1.570 -2.407 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 0.021 -1.186 -3.687 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -1.106 -2.188 -0.424 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -1.593 -2.923 -0.795 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -0.557 -2.581 0.254 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -0.960 -10.088 -8.448 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -1.686 -10.567 -8.050 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -0.379 -9.882 -7.716 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -1.201 -7.303 -3.500 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -0.367 -7.681 -3.781 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -1.089 -6.360 -3.619 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -2.714 -4.425 -1.193 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -3.362 -4.100 -0.568 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -3.232 -4.865 -1.868 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -2.317 -9.597 1.754 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -1.734 -10.331 1.945 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -1.753 -8.825 1.800 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -0.820 -11.694 2.438 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -1.683 -12.073 2.273 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -0.216 -12.433 2.364 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -4.080 -0.569 -1.479 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -4.262 0.347 -1.690 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -3.904 -0.979 -2.326 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -1.198 -15.959 15.956 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -1.149 -15.349 16.692 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -0.772 -15.498 15.233 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -6.720 -13.166 15.423 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -6.577 -14.113 15.443 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -6.826 -12.959 14.494 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -0.806 -14.481 18.192 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -1.495 -13.823 18.097 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -0.791 -14.678 19.129 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -4.079 -15.643 13.077 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -4.294 -16.409 13.609 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -3.423 -15.171 13.590 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -3.732 -16.928 16.756 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -4.468 -16.317 16.718 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -3.048 -16.513 16.230 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -10.729 -18.841 14.222 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -10.846 -19.790 14.168 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -11.584 -18.509 14.495 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -1.093 -10.626 17.016 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -1.745 -9.931 17.105 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -0.628 -10.416 16.206 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -5.159 -11.620 18.742 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -5.079 -10.857 19.314 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -5.760 -11.341 18.051 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -13.460 -17.938 15.000 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -14.321 -18.025 14.592 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -13.482 -17.082 15.427 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -8.734 -12.160 21.312 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -9.297 -12.864 21.632 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -7.908 -12.280 21.779 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -7.568 -11.251 17.309 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -7.244 -11.882 16.666 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -8.008 -11.786 17.970 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -6.385 -16.089 15.357 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -7.062 -15.958 16.021 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -6.871 -16.244 14.547 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -10.844 -14.148 16.394 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -11.679 -13.694 16.504 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -10.320 -13.872 17.146 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -7.798 -15.685 17.611 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -7.100 -15.611 18.261 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -8.179 -16.549 17.766 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -9.278 -13.319 18.728 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -9.159 -12.745 19.485 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -8.623 -14.007 18.843 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -8.930 -17.224 10.481 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -9.277 -16.606 11.126 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -8.272 -16.723 10.000 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -12.645 -14.360 20.340 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -12.495 -15.089 19.737 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -12.643 -13.583 19.781 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -12.233 -15.990 17.832 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -11.697 -15.539 17.180 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -13.085 -16.098 17.410 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -6.235 -12.736 23.100 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.043 -13.667 22.989 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -5.378 -12.311 23.090 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -4.919 -9.947 21.178 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -5.200 -9.238 20.600 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -3.976 -10.020 21.027 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -11.427 -18.534 18.264 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -11.525 -17.587 18.158 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -12.170 -18.906 17.788 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -10.163 -14.212 21.827 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -10.399 -14.432 22.729 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -10.946 -14.419 21.318 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -10.852 -17.557 22.989 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -10.983 -18.033 22.168 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -11.451 -16.813 22.933 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -2.317 -9.597 20.610 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -1.734 -10.331 20.801 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -1.753 -8.825 20.656 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -0.820 -11.694 21.294 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -1.683 -12.073 21.129 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.216 -12.433 21.220 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -2.851 -13.403 14.869 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -1.918 -13.191 14.835 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -3.086 -13.301 15.792 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -2.822 -12.666 17.645 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -3.665 -12.398 18.011 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -2.379 -11.844 17.434 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -8.588 -17.038 13.490 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -9.263 -17.667 13.745 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -8.024 -17.522 12.887 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -1.719 -17.792 11.936 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -1.107 -18.306 11.409 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -1.336 -16.914 11.959 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -11.682 -18.477 11.125 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -10.808 -18.089 11.095 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -11.818 -18.692 12.048 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -6.125 -18.447 12.774 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -6.049 -18.352 11.825 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -6.401 -19.355 12.903 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -4.772 -18.421 8.467 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -5.475 -17.807 8.257 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -5.217 -19.259 8.598 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -14.331 -18.539 22.365 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -13.432 -18.813 22.180 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -14.717 -19.282 22.829 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -1.198 -15.959 34.812 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -1.149 -15.349 35.548 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -0.772 -15.498 34.089 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -5.843 -14.934 29.952 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -5.197 -15.263 30.577 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -5.333 -14.416 29.329 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -0.806 -14.481 37.048 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -1.495 -13.823 36.953 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -0.791 -14.678 37.985 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 -4.079 -15.643 31.933 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 -4.294 -16.409 32.465 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 -3.423 -15.171 32.446 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 -3.732 -16.928 35.612 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 -4.468 -16.317 35.574 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 -3.048 -16.513 35.086 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 -8.408 -11.546 24.617 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 -7.707 -11.524 25.268 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 -8.106 -12.174 23.961 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 -6.185 -10.632 26.215 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 -5.606 -10.482 26.962 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 -5.771 -10.161 25.492 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 -2.487 -18.882 26.028 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 -3.386 -18.743 26.323 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 -2.235 -18.051 25.626 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 -4.708 -9.599 23.845 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 -4.666 -9.822 22.915 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 -3.859 -9.201 24.035 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 -9.135 -15.723 24.515 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 -9.389 -15.704 25.438 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 -9.392 -16.595 24.214 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 -7.836 -12.335 28.680 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 -8.245 -11.520 28.388 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 -7.116 -12.475 28.065 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 -12.253 -15.278 23.616 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 -12.684 -15.723 24.346 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 -12.971 -14.906 23.104 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 -5.684 -13.254 26.795 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 -4.792 -13.391 27.114 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 -5.627 -12.463 26.258 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 -0.799 -13.044 26.489 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 -1.353 -13.440 25.817 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 -0.698 -12.134 26.212 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 -7.014 -16.033 27.564 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 -6.794 -15.561 26.761 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 -6.456 -15.638 28.235 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 -9.814 -14.305 28.399 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 -9.002 -13.801 28.445 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 -10.059 -14.450 29.313 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 -8.930 -17.224 29.337 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 -9.277 -16.606 29.982 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 -8.272 -16.723 28.856 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 -3.074 -15.412 38.419 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 -3.990 -15.149 38.331 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 -2.738 -15.415 37.522 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 -1.813 -9.010 23.465 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 -2.086 -9.435 22.652 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 -1.773 -8.079 23.248 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 -0.692 -10.187 25.655 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 -1.213 -9.830 24.936 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 -0.725 -9.512 26.333 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 -2.343 -12.947 24.206 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 -2.246 -12.280 23.526 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 -2.483 -13.763 23.724 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 -3.463 -13.984 28.289 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 -3.183 -14.891 28.414 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 -2.704 -13.550 27.900 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 -2.851 -13.403 33.725 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 -1.918 -13.191 33.691 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 -3.086 -13.301 34.648 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 -0.539 -18.686 41.855 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 -0.189 -19.340 41.249 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 -0.392 -17.849 41.415 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 -2.849 -16.721 28.338 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 -2.667 -17.170 29.163 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 -3.449 -17.306 27.874 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 -1.019 -16.577 40.204 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 -1.936 -16.306 40.168 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 -0.896 -17.112 39.420 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 -2.018 -18.487 38.023 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 -2.831 -18.162 37.635 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 -1.785 -19.247 37.490 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 -3.446 -18.931 32.458 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 -2.842 -18.383 31.957 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 -4.315 -18.611 32.218 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 -1.719 -17.792 30.792 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 -1.107 -18.306 30.265 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 -1.336 -16.914 30.815 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 -6.125 -18.447 31.630 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 -6.049 -18.352 30.681 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 -6.401 -19.355 31.759 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 -4.772 -18.421 27.323 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -5.475 -17.807 27.113 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -5.217 -19.259 27.454 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 -10.538 -16.397 26.871 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 -10.360 -17.043 27.554 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 -10.592 -15.563 27.338 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 -1.198 2.897 -2.900 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 -1.149 3.507 -2.164 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 -0.772 3.358 -3.623 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 -0.806 4.375 -0.664 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 -1.495 5.033 -0.759 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 -0.791 4.178 0.273 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 -3.732 1.928 -2.100 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 -4.468 2.539 -2.138 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 -3.048 2.343 -2.626 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 -3.074 3.444 0.707 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 -3.990 3.707 0.619 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 -2.738 3.441 -0.190 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 -0.820 7.162 2.438 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 -1.683 6.783 2.273 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 -0.216 6.423 2.364 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 -2.851 5.453 -3.987 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 -1.918 5.665 -4.021 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 -3.086 5.555 -3.064 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 -2.822 6.190 -1.211 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 -3.665 6.458 -0.845 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 -2.379 7.012 -1.422 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 -0.539 0.170 4.143 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 -0.189 -0.484 3.537 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 -0.392 1.007 3.703 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 -1.019 2.279 2.492 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 -1.936 2.550 2.456 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 -0.896 1.744 1.708 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 -2.018 0.369 0.311 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 -2.831 0.694 -0.077 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 -1.785 -0.391 -0.222 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 -1.719 1.064 -6.920 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 -1.107 0.550 -7.447 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 -1.336 1.942 -6.897 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 10.606 -47.705 14.689 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 10.568 -48.351 15.394 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 10.283 -48.171 13.918 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 14.312 -44.766 12.991 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 13.871 -45.486 13.441 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 14.299 -44.045 13.621 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 3.898 -43.640 14.817 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 3.528 -44.442 14.448 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 4.839 -43.809 14.864 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 8.995 -45.272 15.095 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 9.299 -45.958 14.501 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 9.717 -45.154 15.713 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 6.670 -46.183 17.057 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 5.930 -45.585 17.160 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 7.384 -45.629 16.741 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 5.078 -44.219 17.844 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 5.072 -43.340 17.466 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 4.224 -44.302 18.269 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 13.076 -41.145 11.964 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 13.501 -41.852 11.479 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 13.393 -40.344 11.547 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 14.235 -43.244 10.473 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 13.978 -43.934 9.861 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 14.306 -43.687 11.318 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 15.921 -44.678 18.950 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 16.061 -45.269 18.211 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 16.089 -43.805 18.594 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 13.697 -49.332 18.742 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 13.777 -48.569 19.314 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 13.096 -49.053 18.051 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 6.812 -43.448 14.238 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.717 -44.026 13.481 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 7.541 -43.819 14.734 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 3.612 -47.510 19.136 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 3.682 -46.859 19.834 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 2.721 -47.407 18.801 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 10.397 -41.607 10.794 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 10.871 -41.312 11.572 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 9.834 -40.869 10.561 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 0.528 -45.443 17.961 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 0.027 -45.471 17.146 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 0.534 -46.349 18.271 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 0.279 -42.663 14.845 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 1.225 -42.807 14.826 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 0.166 -41.879 15.382 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 9.869 -38.651 9.209 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 9.794 -38.772 8.263 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 9.902 -37.701 9.328 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 12.640 -39.571 8.961 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 11.705 -39.471 9.140 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 12.920 -40.280 9.539 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 15.628 -50.504 21.007 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 15.221 -50.023 20.287 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 15.669 -51.409 20.700 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.777 -44.120 19.004 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.994 -44.481 19.864 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 1.922 -44.494 18.794 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 10.122 -49.872 21.312 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.559 -50.576 21.632 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 10.948 -49.992 21.779 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 3.356 -45.655 21.242 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 4.089 -45.401 21.803 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 2.576 -45.451 21.757 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 15.706 -46.514 16.865 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 16.348 -46.057 16.322 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 14.876 -46.401 16.403 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 10.076 -45.463 19.316 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 9.730 -45.844 20.122 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 9.876 -44.529 19.387 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 7.706 -48.374 21.376 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 7.410 -48.540 20.481 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 8.637 -48.594 21.366 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 18.021 -44.956 20.470 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 17.169 -44.718 20.103 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 18.611 -44.973 19.717 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 13.513 -47.162 15.120 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 12.585 -47.394 15.093 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 13.964 -47.939 14.790 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 6.056 -42.834 11.253 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 6.583 -42.061 11.052 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 5.176 -42.609 10.951 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 6.167 -40.149 10.374 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 5.217 -40.044 10.426 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 6.518 -39.329 10.719 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 11.542 -44.923 16.845 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 11.116 -45.150 17.671 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 12.123 -45.661 16.662 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 1.974 -41.333 17.156 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 2.191 -42.265 17.125 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 2.221 -41.059 18.040 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.849 -40.571 7.553 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 7.010 -39.771 7.052 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 6.652 -40.264 8.438 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 1.896 -42.059 10.179 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 1.064 -41.586 10.206 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 2.442 -41.549 9.580 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 1.092 -45.636 22.463 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 1.236 -46.538 22.177 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 0.319 -45.350 21.975 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 7.747 -45.666 21.896 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 7.419 -45.395 21.038 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 7.899 -46.607 21.808 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 13.482 -45.750 19.279 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 14.227 -45.162 19.159 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 12.725 -45.168 19.342 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 1.924 -48.436 21.883 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 2.332 -49.293 21.762 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 1.664 -48.421 22.804 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 10.891 -46.956 22.535 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 11.844 -46.872 22.507 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 10.731 -47.667 23.154 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 12.621 -50.448 23.100 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 12.813 -51.379 22.989 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 13.478 -50.023 23.090 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 13.937 -47.659 21.178 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 13.656 -46.950 20.600 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 14.880 -47.732 21.027 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 4.689 -50.874 22.251 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 3.922 -51.406 22.041 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 5.368 -51.184 21.652 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 -0.232 -38.357 10.725 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 -0.879 -38.819 10.192 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 0.123 -39.029 11.308 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 17.655 -45.015 15.356 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 18.489 -45.393 15.075 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 17.767 -44.072 15.237 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 16.539 -47.309 20.610 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 17.122 -48.043 20.801 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 17.103 -46.537 20.656 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 18.036 -49.406 21.294 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 17.173 -49.785 21.129 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 18.640 -50.145 21.220 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 14.925 -39.377 11.082 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 15.578 -39.724 10.474 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 15.436 -38.888 11.728 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 2.310 -42.448 21.625 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 1.489 -42.273 21.165 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 2.058 -42.521 22.546 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 1.332 -40.370 8.013 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 0.647 -40.408 7.345 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 1.335 -39.457 8.301 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 16.905 -39.597 9.090 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 16.711 -40.345 8.525 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 16.866 -38.839 8.506 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 2.974 -48.090 35.138 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 3.016 -48.716 35.862 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 3.677 -47.467 35.320 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 3.898 -43.640 33.673 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 3.528 -44.442 33.304 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 4.839 -43.809 33.720 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 0.508 -49.980 29.066 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 0.060 -49.134 29.048 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 -0.053 -50.560 28.551 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 1.218 -47.818 31.192 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 1.432 -48.588 31.719 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 1.956 -47.729 30.589 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 12.136 -50.878 34.279 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 12.279 -51.825 34.299 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 12.030 -50.671 33.350 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 13.013 -52.646 29.952 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 13.659 -52.975 30.577 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 13.523 -52.128 29.329 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 1.911 -50.380 32.313 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 2.565 -50.930 32.745 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 1.935 -50.654 31.397 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 7.067 -48.830 31.529 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 7.683 -49.356 32.038 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 6.481 -49.470 31.125 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 6.670 -46.183 35.913 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 5.930 -45.585 36.016 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 7.384 -45.629 35.597 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 5.078 -44.219 36.700 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 5.072 -43.340 36.322 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 4.224 -44.302 37.125 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 10.448 -49.258 24.617 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 11.149 -49.236 25.268 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 10.750 -49.886 23.961 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 17.763 -48.338 35.872 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 17.111 -47.643 35.961 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 18.228 -48.128 35.062 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 13.697 -49.332 37.598 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 13.777 -48.569 38.170 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 13.096 -49.053 36.907 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 6.812 -43.448 33.094 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 6.717 -44.026 32.337 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 7.541 -43.819 33.590 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 5.812 -48.107 34.046 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 6.377 -47.986 33.283 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 6.131 -47.470 34.685 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 12.671 -48.344 26.215 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 13.250 -48.194 26.962 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 13.085 -47.873 25.492 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 3.612 -47.510 37.992 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 3.682 -46.859 38.690 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 2.721 -47.407 37.657 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 0.528 -45.443 36.817 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 0.027 -45.471 36.002 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 0.534 -46.349 37.127 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 0.279 -42.663 33.701 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 1.225 -42.807 33.682 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 0.166 -41.879 34.238 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 15.628 -50.504 39.863 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 15.221 -50.023 39.143 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 15.669 -51.409 39.556 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 2.777 -44.120 37.860 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 2.994 -44.481 38.720 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 1.922 -44.494 37.650 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 5.484 -50.463 29.863 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 4.591 -50.804 29.804 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 5.935 -50.840 29.107 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 11.020 -50.047 28.680 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 10.611 -49.232 28.388 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 11.740 -50.187 28.065 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 12.024 -50.601 31.494 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 11.829 -49.996 30.779 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 12.206 -51.435 31.059 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 11.288 -48.963 36.165 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 11.612 -49.594 35.522 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 10.848 -49.498 36.826 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 2.894 -51.407 29.776 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 2.005 -51.307 29.436 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 3.190 -52.249 29.430 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 6.547 -51.407 27.432 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 7.479 -51.278 27.610 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 6.332 -50.737 26.783 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 5.221 -50.212 24.999 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 4.679 -50.592 24.308 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 6.055 -50.018 24.570 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 3.356 -45.655 40.098 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 4.089 -45.401 40.659 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 2.576 -45.451 40.613 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 9.386 -50.248 32.836 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 9.950 -50.795 32.289 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 9.238 -50.770 33.625 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 10.076 -45.463 38.172 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 9.730 -45.844 38.978 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 9.876 -44.529 38.243 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 13.172 -50.966 26.795 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 14.064 -51.103 27.114 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 13.229 -50.175 26.258 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 3.681 -46.352 32.704 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 4.426 -46.354 32.103 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 3.759 -47.176 33.186 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 0.689 -47.891 38.019 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 0.912 -48.309 38.851 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 0.087 -48.504 37.597 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 7.706 -48.374 40.232 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 7.410 -48.540 39.337 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 8.637 -48.594 40.222 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 18.057 -50.756 26.489 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 17.503 -51.152 25.817 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 18.158 -49.846 26.212 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 1.811 -47.972 24.696 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 2.427 -47.345 25.075 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 0.949 -47.656 24.967 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 9.042 -52.017 28.399 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 9.854 -51.513 28.445 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 8.797 -52.162 29.313 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 14.384 -49.373 32.515 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 13.587 -49.788 32.186 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.829 -50.064 33.006 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 2.158 -50.781 24.201 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 2.113 -49.842 24.380 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 1.270 -51.017 23.931 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 1.092 -45.636 41.319 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 1.236 -46.538 41.033 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 0.319 -45.350 40.831 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 7.747 -45.666 40.752 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 7.419 -45.395 39.894 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 7.899 -46.607 40.664 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 1.924 -48.436 40.739 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 2.332 -49.293 40.618 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 1.664 -48.421 41.660 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 7.653 -49.077 24.020 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 7.473 -49.231 23.092 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 8.604 -48.969 24.064 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 10.891 -46.956 41.391 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 11.844 -46.872 41.363 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 10.731 -47.667 42.010 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 8.205 -48.263 36.928 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 8.956 -48.419 36.355 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 7.866 -47.411 36.652 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 13.937 -47.659 40.034 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 13.656 -46.950 39.456 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 14.880 -47.732 39.883 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 17.896 -47.800 29.264 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 17.170 -48.279 29.662 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 18.477 -47.594 29.996 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 18.164 -47.899 25.655 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 17.643 -47.542 24.936 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 18.131 -47.224 26.333 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 16.513 -50.659 24.206 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 16.610 -49.992 23.526 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 16.373 -51.475 23.724 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 15.683 -49.279 29.827 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 15.533 -50.224 29.807 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 15.329 -48.998 30.671 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 0.718 -47.201 33.837 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 0.902 -47.283 32.902 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 1.567 -47.325 34.261 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 16.539 -47.309 39.466 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 17.122 -48.043 39.657 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 17.103 -46.537 39.512 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 18.036 -49.406 40.150 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 17.173 -49.785 39.985 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 18.640 -50.145 40.076 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 15.393 -51.696 28.289 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 15.673 -52.603 28.414 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 16.152 -51.262 27.900 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 16.005 -51.115 33.725 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 16.938 -50.903 33.691 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 15.770 -51.013 34.648 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 16.034 -50.378 36.501 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 15.191 -50.110 36.867 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 16.477 -49.556 36.290 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 2.310 -42.448 40.481 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 1.489 -42.273 40.021 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 2.058 -42.521 41.402 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 5.264 -41.473 36.740 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 4.839 -40.664 36.457 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 6.169 -41.388 36.438 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 14.235 -43.244 48.185 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 13.978 -43.934 47.573 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 14.306 -43.687 49.030 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 10.397 -41.607 48.506 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 10.871 -41.312 49.284 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 9.834 -40.869 48.273 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 9.869 -38.651 46.921 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 9.794 -38.772 45.975 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 9.902 -37.701 47.040 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 3.523 -39.862 48.702 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 3.675 -40.210 49.581 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 2.672 -40.218 48.447 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 12.640 -39.571 46.673 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 11.705 -39.471 46.852 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 12.920 -40.280 47.251 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 14.148 -47.311 42.701 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 14.190 -47.534 41.771 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 14.997 -46.913 42.891 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 8.556 -45.647 45.791 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 7.812 -46.154 45.468 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 8.422 -45.598 46.737 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 10.682 -44.188 44.816 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 10.387 -43.362 45.198 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 9.979 -44.808 45.012 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 16.353 -41.970 45.810 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 15.980 -42.796 46.120 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 16.630 -42.153 44.913 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 6.056 -42.834 48.965 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 6.583 -42.061 48.764 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 5.176 -42.609 48.663 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 6.167 -40.149 48.086 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 5.217 -40.044 48.138 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 6.518 -39.329 48.431 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 13.745 -43.994 43.631 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 14.098 -44.374 44.435 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 12.796 -44.087 43.717 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 14.611 -45.321 45.857 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 14.334 -46.049 46.413 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 15.538 -45.202 46.063 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 6.773 -43.312 44.534 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 6.920 -43.832 45.324 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 6.770 -42.405 44.840 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 9.511 -41.614 45.283 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 8.694 -41.117 45.336 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 10.040 -41.139 44.643 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 3.842 -43.445 43.941 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 4.434 -42.746 44.217 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 4.301 -43.878 43.222 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 1.896 -42.059 47.891 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 1.064 -41.586 47.918 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 2.442 -41.549 47.292 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 5.433 -45.292 42.307 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 5.497 -46.086 42.838 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 6.086 -45.411 41.618 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 10.785 -44.245 42.043 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 10.517 -44.065 42.944 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 10.579 -45.171 41.912 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 17.043 -46.722 42.321 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 16.770 -47.147 41.508 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 17.083 -45.791 42.104 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 1.119 -43.750 43.360 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 2.033 -43.671 43.633 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 1.126 -44.437 42.693 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 17.502 -45.853 46.296 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 18.352 -45.432 46.424 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 17.507 -46.593 46.904 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 18.164 -47.899 44.511 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 17.643 -47.542 43.792 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 18.131 -47.224 45.189 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 14.925 -39.377 48.794 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 15.578 -39.724 48.186 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 15.436 -38.888 49.440 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 1.332 -40.370 45.725 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 0.647 -40.408 45.057 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 1.335 -39.457 46.013 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 14.824 -24.070 -3.517 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 13.882 -24.012 -3.356 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 15.100 -23.164 -3.654 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 15.921 -25.822 0.094 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 16.061 -26.413 -0.645 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 16.089 -24.949 -0.262 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 13.697 -30.476 -0.114 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 13.777 -29.713 0.458 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 13.096 -30.197 -0.805 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 12.121 -23.748 -2.932 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 11.880 -23.086 -2.284 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 11.923 -24.582 -2.507 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 6.692 -24.852 1.051 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 6.380 -24.070 1.507 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 6.042 -25.005 0.365 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 18.476 -23.141 1.671 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 18.427 -24.096 1.634 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 17.650 -22.873 2.073 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 9.455 -23.567 0.547 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 9.542 -22.741 1.022 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 8.591 -23.897 0.796 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 15.706 -27.658 -1.991 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 16.348 -27.201 -2.534 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 14.876 -27.545 -2.453 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 10.076 -26.607 0.460 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 9.730 -26.988 1.266 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 9.876 -25.673 0.531 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 18.021 -26.100 1.614 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 17.169 -25.862 1.247 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 18.611 -26.117 0.861 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 7.998 -22.166 -1.712 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 8.361 -21.311 -1.945 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 8.530 -22.458 -0.971 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 11.542 -26.067 -2.011 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 11.116 -26.294 -1.185 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 12.123 -26.805 -2.194 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 15.471 -21.261 -3.575 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 15.315 -20.583 -4.232 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 16.403 -21.189 -3.372 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 5.782 -21.671 4.273 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 6.550 -22.130 4.614 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 5.761 -21.897 3.343 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 1.092 -26.780 3.607 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 1.236 -27.682 3.321 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 0.319 -26.494 3.119 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 7.747 -26.810 3.040 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 7.419 -26.539 2.182 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 7.899 -27.751 2.952 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 13.482 -26.894 0.423 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 14.227 -26.306 0.303 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 12.725 -26.312 0.486 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 10.891 -28.100 3.679 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 11.844 -28.016 3.651 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 10.731 -28.811 4.298 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 12.621 -31.592 4.244 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 12.813 -32.523 4.133 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 13.478 -31.167 4.234 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 13.937 -28.803 2.322 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 13.656 -28.094 1.744 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 14.880 -28.876 2.171 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 18.187 -20.611 -3.346 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 18.165 -20.426 -2.407 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 18.877 -20.042 -3.687 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 17.750 -21.044 -0.424 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 17.263 -21.779 -0.795 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 18.299 -21.437 0.254 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 17.655 -26.159 -3.500 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 18.489 -26.537 -3.781 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 17.767 -25.216 -3.619 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 16.142 -23.281 -1.193 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 15.494 -22.956 -0.568 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 15.624 -23.721 -1.868 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 16.539 -28.453 1.754 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 17.122 -29.187 1.945 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 17.103 -27.681 1.800 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 9.575 -21.218 1.987 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 9.760 -21.552 2.865 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 10.422 -20.909 1.665 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 9.844 -19.873 -2.719 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 9.387 -19.344 -3.373 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 10.007 -19.270 -1.994 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 12.171 -20.995 -1.774 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 11.267 -20.830 -2.040 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 12.600 -20.142 -1.840 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 14.776 -19.425 -1.479 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 14.594 -18.509 -1.690 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 14.952 -19.835 -2.326 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 0.508 -31.124 10.210 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 0.060 -30.278 10.192 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 -0.053 -31.704 9.695 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 10.394 -28.860 8.722 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 9.682 -28.325 8.371 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 11.085 -28.804 8.062 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 10.448 -30.402 5.761 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 11.149 -30.380 6.412 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 10.750 -31.030 5.105 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 13.800 -28.650 9.674 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 13.068 -28.422 10.247 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 14.247 -29.364 10.129 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 12.671 -29.488 7.359 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 13.250 -29.338 8.106 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 13.085 -29.017 6.636 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 16.369 -37.738 7.172 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 15.470 -37.599 7.467 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 16.621 -36.907 6.770 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 3.523 -21.006 10.990 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 3.675 -21.354 11.869 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 2.672 -21.362 10.735 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 14.148 -28.455 4.989 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 14.190 -28.678 4.059 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 14.997 -28.057 5.179 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 5.484 -31.607 11.007 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 4.591 -31.948 10.948 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 5.935 -31.984 10.251 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 11.020 -31.191 9.824 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 10.611 -30.376 9.532 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 11.740 -31.331 9.209 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 -0.155 -34.392 11.812 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 0.476 -34.421 12.532 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 0.295 -34.817 11.082 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 1.120 -33.646 7.236 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 1.594 -33.055 6.651 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 0.402 -33.115 7.583 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 2.894 -32.551 10.920 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 2.005 -32.451 10.580 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 3.190 -33.393 10.574 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.547 -32.551 8.576 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 7.479 -32.422 8.754 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.332 -31.881 7.927 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 5.221 -31.356 6.143 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 4.679 -31.736 5.452 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 6.055 -31.162 5.714 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 4.388 -35.256 10.398 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 4.071 -36.158 10.363 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 5.169 -35.254 9.846 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 8.556 -26.791 8.079 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 7.812 -27.298 7.756 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 8.422 -26.742 9.025 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 12.454 -33.977 6.278 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 11.516 -33.865 6.127 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 12.751 -33.120 6.584 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 13.172 -32.110 7.939 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 14.064 -32.247 8.258 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 13.229 -31.319 7.402 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 10.682 -25.332 7.104 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 10.387 -24.506 7.486 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 9.979 -25.952 7.300 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 18.057 -31.900 7.633 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 17.503 -32.296 6.961 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 18.158 -30.990 7.356 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 6.056 -23.978 11.253 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 6.583 -23.205 11.052 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 5.176 -23.753 10.951 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 1.811 -29.116 5.840 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 2.427 -28.489 6.219 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 0.949 -28.800 6.111 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.167 -21.293 10.374 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 5.217 -21.188 10.426 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 6.518 -20.473 10.719 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 14.611 -26.465 8.145 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 14.334 -27.193 8.701 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 15.538 -26.346 8.351 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 7.836 -24.026 4.366 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 8.075 -24.774 3.818 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 7.567 -24.414 5.198 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 6.773 -24.456 6.822 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 6.920 -24.976 7.612 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 6.770 -23.549 7.128 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 11.842 -34.889 8.708 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 12.062 -34.417 7.905 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 12.400 -34.494 9.379 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 9.511 -22.758 7.571 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 8.694 -22.261 7.624 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 10.040 -22.283 6.931 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 9.042 -33.161 9.543 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 9.854 -32.657 9.589 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 8.797 -33.306 10.457 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 9.926 -36.080 10.481 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 9.579 -35.462 11.126 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 10.584 -35.579 10.000 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 6.849 -21.715 7.553 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 7.010 -20.915 7.052 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 6.652 -21.408 8.438 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 5.583 -35.017 7.169 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 5.500 -34.128 7.515 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 6.473 -35.282 7.400 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 3.842 -24.589 6.229 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 4.434 -23.890 6.505 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 4.301 -25.022 5.510 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 2.158 -31.925 5.345 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 2.113 -30.986 5.524 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 1.270 -32.161 5.075 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 1.896 -23.203 10.179 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 1.064 -22.730 10.206 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 2.442 -22.693 9.580 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 5.433 -26.436 4.595 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 5.497 -27.230 5.126 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 6.086 -26.555 3.906 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 6.582 -28.464 6.901 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 6.123 -28.948 7.587 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 6.837 -29.132 6.265 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 7.653 -30.221 5.164 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 7.473 -30.375 4.236 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 8.604 -30.113 5.208 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 17.043 -27.866 4.609 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 16.770 -28.291 3.796 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 17.083 -26.935 4.392 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 7.551 -19.530 6.165 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 8.484 -19.372 6.309 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 7.287 -18.855 5.540 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 1.119 -24.894 5.648 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 2.033 -24.815 5.921 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 1.126 -25.581 4.981 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 -0.232 -19.501 10.725 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 -0.879 -19.963 10.192 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 0.123 -20.173 11.308 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 0.638 -21.420 12.530 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 0.304 -22.301 12.702 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 0.860 -21.075 13.394 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 17.502 -26.997 8.584 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 18.352 -26.576 8.712 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 17.507 -27.737 9.192 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 17.896 -28.944 10.408 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 17.170 -29.423 10.806 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 18.477 -28.738 11.140 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 18.164 -29.043 6.799 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 17.643 -28.686 6.080 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 18.131 -28.368 7.477 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 15.683 -30.423 10.971 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 15.533 -31.368 10.951 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 15.329 -30.142 11.815 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 15.393 -32.840 9.433 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 15.673 -33.747 9.558 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 16.152 -32.406 9.044 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 16.007 -35.577 9.482 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 16.189 -36.026 10.307 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 15.407 -36.162 9.018 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 0.154 -35.505 9.137 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 -0.771 -35.296 9.007 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 0.608 -35.021 8.447 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 1.431 -37.462 7.115 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 1.870 -36.851 6.524 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 0.797 -36.924 7.589 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 14.084 -37.277 8.467 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 13.381 -36.663 8.257 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 13.639 -38.115 8.598 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 1.332 -21.514 8.013 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 0.647 -21.552 7.345 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 1.335 -20.601 8.301 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 8.318 -35.253 8.015 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 8.496 -35.899 8.698 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 8.264 -34.419 8.482 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 15.921 -25.822 37.806 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 16.061 -26.413 37.067 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 16.089 -24.949 37.450 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 4.931 -22.780 39.527 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 4.939 -22.916 38.579 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 4.015 -22.898 39.779 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 18.476 -23.141 39.383 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 18.427 -24.096 39.346 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 17.650 -22.873 39.785 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 2.777 -25.264 37.860 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 2.994 -25.625 38.720 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 1.922 -25.638 37.650 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 15.758 -19.273 40.490 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 15.958 -18.849 39.655 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 16.414 -18.930 41.097 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 3.356 -26.799 40.098 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 4.089 -26.545 40.659 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 2.576 -26.595 40.613 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 18.021 -26.100 39.326 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 17.169 -25.862 38.959 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 18.611 -26.117 38.573 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 1.185 -20.590 40.365 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 1.725 -20.807 41.124 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 0.704 -21.396 40.175 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 5.782 -21.671 41.985 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 6.550 -22.130 42.326 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 5.761 -21.897 41.055 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 12.359 -23.291 40.714 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 12.008 -24.147 40.957 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 13.085 -23.148 41.321 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 1.092 -26.780 41.319 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 1.236 -27.682 41.033 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 0.319 -26.494 40.831 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 1.924 -29.580 40.739 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 2.332 -30.437 40.618 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 1.664 -29.565 41.660 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 16.201 -25.254 41.926 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 15.335 -25.359 42.320 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 16.577 -24.495 42.373 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 18.036 -30.550 40.150 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 17.173 -30.929 39.985 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 18.640 -31.289 40.076 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 2.310 -23.592 40.481 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 1.489 -23.417 40.021 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 2.058 -23.665 41.402 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 5.264 -22.617 36.740 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 4.839 -21.808 36.457 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 6.169 -22.532 36.438 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 9.575 -21.218 39.699 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 9.760 -21.552 40.577 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 10.422 -20.909 39.377 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 11.920 -19.933 38.943 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 12.597 -20.565 38.703 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 12.242 -19.531 39.751 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 16.123 -21.990 40.096 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 15.341 -22.176 39.576 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 16.051 -21.061 40.313 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 11.673 -28.104 48.982 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 11.762 -27.160 48.850 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 11.034 -28.379 48.324 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 10.606 -28.849 52.401 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 10.568 -29.495 53.106 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 10.283 -29.315 51.630 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 17.658 -34.815 53.668 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 17.707 -34.205 54.404 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 18.084 -34.354 52.945 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 12.136 -32.022 53.135 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 12.279 -32.969 53.155 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 12.030 -31.815 52.206 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 5.291 -33.921 50.407 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 5.334 -33.061 49.989 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 4.833 -34.473 49.774 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 7.067 -29.974 50.385 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 7.683 -30.500 50.894 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 6.481 -30.614 49.981 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 11.470 -25.503 48.025 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 11.174 -25.825 47.174 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 11.146 -24.603 48.067 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 14.777 -34.499 50.789 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 14.562 -35.265 51.321 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 15.433 -34.027 51.302 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 10.394 -28.860 46.434 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 9.682 -28.325 46.083 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 11.085 -28.804 45.774 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 13.800 -28.650 47.386 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 13.068 -28.422 47.959 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 14.247 -29.364 47.841 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 4.435 -28.950 46.858 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 4.143 -28.182 46.367 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 3.761 -29.610 46.695 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 5.484 -31.607 48.719 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 4.591 -31.948 48.660 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 5.935 -31.984 47.963 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 12.024 -31.745 50.350 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 11.829 -31.140 49.635 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 12.206 -32.579 49.915 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 1.120 -33.646 44.948 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 1.594 -33.055 44.363 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 0.402 -33.115 45.295 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 8.066 -34.180 49.805 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 7.155 -34.123 50.094 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 8.571 -34.240 50.616 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 6.547 -32.551 46.288 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 7.479 -32.422 46.466 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 6.332 -31.881 45.639 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 12.471 -34.945 53.069 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 11.794 -34.814 53.733 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 11.985 -35.100 52.259 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 5.221 -31.356 43.855 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 4.679 -31.736 43.164 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 6.055 -31.162 43.426 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 9.386 -31.392 51.692 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 9.950 -31.939 51.145 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 9.238 -31.914 52.481 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 4.388 -35.256 48.110 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 4.071 -36.158 48.075 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 5.169 -35.254 47.558 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 8.556 -26.791 45.791 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 7.812 -27.298 45.468 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 8.422 -26.742 46.737 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 10.682 -25.332 44.816 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 10.387 -24.506 45.198 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 9.979 -25.952 45.012 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 1.811 -29.116 43.552 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 2.427 -28.489 43.931 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 0.949 -28.800 43.823 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 13.745 -25.138 43.631 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 14.098 -25.518 44.435 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 12.796 -25.231 43.717 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 14.611 -26.465 45.857 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 14.334 -27.193 46.413 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 15.538 -26.346 46.063 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 7.836 -24.026 42.078 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 8.075 -24.774 41.530 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 7.567 -24.414 42.910 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 6.773 -24.456 44.534 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 6.920 -24.976 45.324 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 6.770 -23.549 44.840 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 9.511 -22.758 45.283 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 8.694 -22.261 45.336 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 10.040 -22.283 44.643 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 14.384 -30.517 51.371 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 13.587 -30.932 51.042 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 14.829 -31.208 51.862 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 2.158 -31.925 43.057 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 2.113 -30.986 43.236 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 1.270 -32.161 42.787 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 9.874 -22.163 42.216 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 9.230 -22.794 42.538 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 10.636 -22.694 41.984 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 14.478 -22.346 42.450 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 14.761 -23.140 42.903 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 15.218 -22.113 41.889 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 5.433 -26.436 42.307 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 5.497 -27.230 42.838 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 6.086 -26.555 41.618 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 6.582 -28.464 44.613 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 6.123 -28.948 45.299 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 6.837 -29.132 43.977 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 17.043 -27.866 42.321 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 16.770 -28.291 41.508 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 17.083 -26.935 42.104 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 17.502 -26.997 46.296 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 18.352 -26.576 46.424 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 17.507 -27.737 46.904 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 17.896 -28.944 48.120 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 17.170 -29.423 48.518 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 18.477 -28.738 48.852 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 18.164 -29.043 44.511 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 17.643 -28.686 43.792 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 18.131 -28.368 45.189 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 16.005 -32.259 52.581 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 16.938 -32.047 52.547 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 15.770 -32.157 53.504 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 0.154 -35.505 46.849 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 -0.771 -35.296 46.719 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 0.608 -35.021 46.159 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 10.268 -35.894 51.202 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 9.593 -36.523 51.457 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 10.832 -36.378 50.599 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 15.410 -37.787 51.314 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 16.014 -37.239 50.813 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 14.541 -37.467 51.074 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 17.137 -36.648 49.648 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 17.749 -37.162 49.121 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 17.520 -35.770 49.671 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 2.594 -37.260 49.024 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 1.817 -37.494 48.516 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 3.125 -38.057 49.032 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 1.431 -37.462 44.827 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 1.870 -36.851 44.236 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 0.797 -36.924 45.301 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 7.174 -37.333 48.837 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 8.048 -36.945 48.807 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 7.038 -37.548 49.760 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 12.731 -37.303 50.486 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 12.807 -37.208 49.537 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 12.455 -38.211 50.615 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 8.318 -35.253 45.727 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 8.496 -35.899 46.410 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 8.264 -34.419 46.194 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 11.673 -9.248 -7.586 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 11.762 -8.304 -7.718 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.034 -9.523 -8.244 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 0.508 -12.268 -8.646 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 0.060 -11.422 -8.664 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 -0.053 -12.848 -9.161 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 1.218 -10.106 -6.520 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 1.432 -10.876 -5.993 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 1.956 -10.017 -7.123 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 11.423 -1.949 -5.653 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 12.043 -2.626 -5.926 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 11.215 -2.167 -4.745 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 17.658 -15.959 -2.900 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 17.707 -15.349 -2.164 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 18.084 -15.498 -3.623 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 5.291 -15.065 -6.161 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 5.334 -14.205 -6.579 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 4.833 -15.617 -6.794 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 1.911 -12.668 -5.399 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 2.565 -13.218 -4.967 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 1.935 -12.942 -6.315 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 7.067 -11.118 -6.183 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 7.683 -11.644 -5.674 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 6.481 -11.758 -6.587 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 4.101 -16.147 -2.087 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 3.882 -15.617 -2.853 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 3.433 -15.920 -1.439 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 11.470 -6.647 -8.543 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 11.174 -6.969 -9.394 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 11.146 -5.747 -8.501 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 14.777 -15.643 -5.779 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 14.562 -16.409 -5.247 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 15.433 -15.171 -5.266 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 3.695 -14.255 -4.134 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 4.308 -13.622 -3.761 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 4.207 -14.727 -4.791 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 1.199 -6.836 -10.230 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 0.927 -6.607 -11.119 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 1.244 -5.998 -9.770 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 15.124 -16.928 -2.100 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 14.388 -16.317 -2.138 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 15.808 -16.513 -2.626 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 13.076 -3.433 -6.892 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 13.501 -4.140 -7.377 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 13.393 -2.632 -7.309 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 14.235 -5.532 -8.383 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 13.978 -6.222 -8.995 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 14.306 -5.975 -7.538 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.394 -10.004 -10.134 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 9.682 -9.469 -10.485 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 11.085 -9.948 -10.794 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 13.800 -9.794 -9.182 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 13.068 -9.566 -8.609 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 14.247 -10.508 -8.727 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 5.445 -9.164 -7.299 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 5.115 -9.534 -8.118 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 6.033 -9.834 -6.953 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 10.397 -3.895 -8.062 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 10.871 -3.600 -7.284 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 9.834 -3.157 -8.295 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 4.435 -10.094 -9.710 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 4.143 -9.326 -10.201 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 3.761 -10.754 -9.873 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 18.476 -4.285 1.671 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 18.427 -5.240 1.634 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 17.650 -4.017 2.073 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 3.523 -2.150 -7.866 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 3.675 -2.498 -6.987 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 2.672 -2.506 -8.121 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 12.640 -1.859 -9.895 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 11.705 -1.759 -9.716 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 12.920 -2.568 -9.317 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 10.059 -18.216 -0.482 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 10.479 -18.631 0.271 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 9.126 -18.394 -0.365 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 5.487 -12.972 -2.761 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 4.845 -13.013 -2.052 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 5.524 -12.046 -2.999 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 5.484 -12.751 -7.849 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 4.591 -13.092 -7.908 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 5.935 -13.128 -8.605 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.020 -12.335 -9.032 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.611 -11.520 -9.324 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.740 -12.475 -9.647 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 12.024 -12.889 -6.218 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 11.829 -12.284 -6.933 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 12.206 -13.723 -6.653 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 3.237 -12.652 -0.894 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 3.199 -12.252 -0.026 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 2.746 -13.469 -0.804 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 8.066 -15.324 -6.763 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 7.155 -15.267 -6.474 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 8.571 -15.384 -5.952 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 2.894 -13.695 -7.936 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 2.005 -13.595 -8.276 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 3.190 -14.537 -8.282 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 12.471 -16.089 -3.499 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 11.794 -15.958 -2.835 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 11.985 -16.244 -4.309 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 9.386 -12.536 -4.876 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 9.950 -13.083 -5.423 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 9.238 -13.058 -4.087 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 8.012 -14.148 -2.462 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 7.177 -13.694 -2.352 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 8.536 -13.872 -1.710 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 8.556 -7.935 -10.777 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 7.812 -8.442 -11.100 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 8.422 -7.886 -9.831 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 0.689 -10.179 0.307 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 0.912 -10.597 1.139 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 0.087 -10.792 -0.115 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 18.021 -7.244 1.614 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 17.169 -7.006 1.247 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 18.611 -7.261 0.861 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 6.056 -5.122 -7.603 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 6.583 -4.349 -7.804 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 5.176 -4.897 -7.905 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 7.483 -7.459 -8.027 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 7.242 -6.534 -7.985 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 6.743 -7.918 -7.631 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 6.167 -2.437 -8.482 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 5.217 -2.332 -8.430 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 6.518 -1.617 -8.137 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 14.201 -2.659 0.458 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 13.599 -3.214 -0.037 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 14.482 -1.992 -0.168 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 2.323 -15.426 -0.135 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 1.430 -15.087 -0.202 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 2.224 -16.281 0.283 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 14.611 -7.609 -10.711 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 14.334 -8.337 -10.155 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 15.538 -7.490 -10.505 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 14.384 -11.661 -5.197 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 13.587 -12.076 -5.526 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 14.829 -12.352 -4.706 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 15.471 -2.405 -3.575 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 15.315 -1.727 -4.232 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 16.403 -2.333 -3.372 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 1.896 -4.347 -8.677 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 1.064 -3.874 -8.650 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 2.442 -3.837 -9.276 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 1.185 -1.734 2.653 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 1.725 -1.951 3.412 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 0.704 -2.540 2.463 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 5.782 -2.815 4.273 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 6.550 -3.274 4.614 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 5.761 -3.041 3.343 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 12.359 -4.435 3.002 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 12.008 -5.291 3.245 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 13.085 -4.292 3.609 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 1.092 -7.924 3.607 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 1.236 -8.826 3.321 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 0.319 -7.638 3.119 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 1.924 -10.724 3.027 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 2.332 -11.581 2.906 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 1.664 -10.709 3.948 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 6.211 -14.360 1.484 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 6.361 -15.089 0.881 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 6.213 -13.583 0.925 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 6.623 -15.990 -1.024 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 7.159 -15.539 -1.676 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.771 -16.098 -1.446 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 7.429 -18.534 -0.592 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 7.331 -17.587 -0.698 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 6.686 -18.906 -1.068 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 2.870 -15.241 3.100 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 3.081 -15.948 2.489 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 2.758 -15.679 3.944 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 7.651 -19.240 2.079 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 8.363 -19.880 2.065 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 7.550 -18.973 1.165 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 8.004 -17.557 4.133 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 7.873 -18.033 3.312 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 7.405 -16.813 4.077 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 -0.232 -0.645 -8.131 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 -0.879 -1.107 -8.664 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 0.123 -1.317 -7.548 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 0.638 -2.564 -6.326 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 0.304 -3.445 -6.154 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 0.860 -2.219 -5.462 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 18.187 -1.755 -3.346 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 18.165 -1.570 -2.407 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 18.877 -1.186 -3.687 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 17.750 -2.188 -0.424 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 17.263 -2.923 -0.795 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 18.299 -2.581 0.254 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 16.201 -6.398 4.214 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 15.335 -6.503 4.608 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 16.577 -5.639 4.661 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 17.896 -10.088 -8.448 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 17.170 -10.567 -8.050 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 18.477 -9.882 -7.716 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 15.683 -11.567 -7.885 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 15.533 -12.512 -7.905 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 15.329 -11.286 -7.041 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 16.005 -13.403 -3.987 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 16.938 -13.191 -4.021 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 15.770 -13.301 -3.064 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 0.316 -14.218 2.266 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.235 -14.340 2.502 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 -0.134 -14.968 2.655 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 -0.159 -12.907 -3.774 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 0.333 -13.128 -4.564 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 0.203 -12.066 -3.493 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 14.925 -1.665 -7.774 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 15.578 -2.012 -8.382 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 15.436 -1.176 -7.128 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 2.310 -4.736 2.769 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 1.489 -4.561 2.309 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 2.058 -4.809 3.690 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 11.920 -1.077 1.231 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 12.597 -1.709 0.991 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 12.242 -0.675 2.039 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.171 -2.139 -1.774 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 11.267 -1.974 -2.040 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 12.600 -1.286 -1.840 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 14.776 -0.569 -1.479 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 14.594 0.347 -1.690 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 14.952 -0.979 -2.326 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 1.332 -2.658 -10.843 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 0.647 -2.696 -11.511 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 1.335 -1.745 -10.555 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 4.525 -18.539 3.509 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 5.424 -18.813 3.324 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 4.139 -19.282 3.973 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 16.123 -3.134 2.384 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 15.341 -3.320 1.864 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 16.051 -2.205 2.601 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 11.673 -9.248 11.270 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 11.762 -8.304 11.138 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 11.034 -9.523 10.612 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 10.606 -9.993 14.689 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 10.568 -10.639 15.394 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 10.283 -10.459 13.918 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 14.312 -7.054 12.991 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 13.871 -7.774 13.441 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 14.299 -6.333 13.621 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 12.136 -13.166 15.423 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 12.279 -14.113 15.443 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 12.030 -12.959 14.494 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 5.291 -15.065 12.695 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 5.334 -14.205 12.277 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 4.833 -15.617 12.062 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 7.067 -11.118 12.673 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 7.683 -11.644 13.182 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 6.481 -11.758 12.269 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 4.101 -16.147 16.769 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 3.882 -15.617 16.003 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 3.433 -15.920 17.417 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 11.470 -6.647 10.313 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 11.174 -6.969 9.462 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 11.146 -5.747 10.355 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 1.199 -6.836 8.626 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 0.927 -6.607 7.737 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 1.244 -5.998 9.086 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 14.235 -5.532 10.473 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 13.978 -6.222 9.861 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 14.306 -5.975 11.318 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 15.921 -6.966 18.950 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 16.061 -7.557 18.211 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 16.089 -6.093 18.594 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 10.394 -10.004 8.722 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 9.682 -9.469 8.371 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 11.085 -9.948 8.062 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 17.763 -10.626 17.016 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 17.111 -9.931 17.105 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 18.228 -10.416 16.206 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 13.697 -11.620 18.742 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 13.777 -10.857 19.314 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 13.096 -11.341 18.051 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 5.445 -9.164 11.557 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 5.115 -9.534 10.738 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 6.033 -9.834 11.903 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 4.435 -10.094 9.146 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 4.143 -9.326 8.655 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 3.761 -10.754 8.983 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 18.476 -4.285 20.527 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 18.427 -5.240 20.490 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 17.650 -4.017 20.929 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 15.628 -12.792 21.007 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 15.221 -12.311 20.287 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 15.669 -13.697 20.700 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 5.396 -17.938 15.000 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 4.535 -18.025 14.592 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 5.374 -17.082 15.427 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 5.484 -12.751 11.007 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 4.591 -13.092 10.948 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 5.935 -13.128 10.251 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 12.024 -12.889 12.638 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 11.829 -12.284 11.923 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 12.206 -13.723 12.203 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 3.237 -12.652 17.962 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 3.199 -12.252 18.830 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 2.746 -13.469 18.052 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 6.603 -15.278 4.760 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 6.172 -15.723 5.490 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 5.885 -14.906 4.248 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 11.288 -11.251 17.309 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 11.612 -11.882 16.666 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 10.848 -11.786 17.970 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 8.066 -15.324 12.093 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 7.155 -15.267 12.382 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 8.571 -15.384 12.904 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 2.894 -13.695 10.920 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 2.005 -13.595 10.580 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 3.190 -14.537 10.574 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 6.547 -13.695 8.576 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 7.479 -13.566 8.754 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 6.332 -13.025 7.927 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 5.221 -12.500 6.143 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 4.679 -12.880 5.452 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 6.055 -12.306 5.714 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 9.386 -12.536 13.980 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 9.950 -13.083 13.433 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 9.238 -13.058 14.769 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 4.388 -16.400 10.398 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 4.071 -17.302 10.363 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 5.169 -16.398 9.846 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 8.012 -14.148 16.394 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 7.177 -13.694 16.504 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 8.536 -13.872 17.146 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 8.556 -7.935 8.079 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 7.812 -8.442 7.756 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 8.422 -7.886 9.025 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 15.706 -8.802 16.865 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 16.348 -8.345 16.322 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 14.876 -8.689 16.403 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 10.682 -6.476 7.104 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 10.387 -5.650 7.486 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 9.979 -7.096 7.300 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 0.689 -10.179 19.163 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 0.912 -10.597 19.995 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 0.087 -10.792 18.741 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 7.706 -10.662 21.376 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 7.410 -10.828 20.481 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 8.637 -10.882 21.366 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 18.021 -7.244 20.470 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.169 -7.006 20.103 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.611 -7.261 19.717 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 13.513 -9.450 15.120 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 12.585 -9.682 15.093 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 13.964 -10.227 14.790 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 1.811 -10.260 5.840 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 2.427 -9.633 6.219 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 0.949 -9.944 6.111 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 7.483 -7.459 10.829 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 7.242 -6.534 10.871 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 6.743 -7.918 11.225 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 13.745 -6.282 5.919 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 14.098 -6.662 6.723 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 12.796 -6.375 6.005 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 2.323 -15.426 18.721 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 1.430 -15.087 18.654 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 2.224 -16.281 19.139 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 14.611 -7.609 8.145 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 14.334 -8.337 8.701 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 15.538 -7.490 8.351 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 3.226 -8.347 7.332 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 2.540 -7.995 7.899 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 3.749 -7.584 7.086 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 11.058 -15.685 17.611 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 11.756 -15.611 18.261 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 10.677 -16.549 17.766 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 9.511 -3.902 7.571 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 8.694 -3.405 7.624 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 10.040 -3.427 6.931 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 9.578 -13.319 18.728 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 9.697 -12.745 19.485 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 10.233 -14.007 18.843 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 6.849 -2.859 7.553 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 7.010 -2.059 7.052 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 6.652 -2.552 8.438 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 5.583 -16.161 7.169 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 5.500 -15.272 7.515 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 6.473 -16.426 7.400 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 15.782 -15.412 19.563 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 14.866 -15.149 19.475 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 16.118 -15.415 18.666 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 14.384 -11.661 13.659 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 13.587 -12.076 13.330 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 14.829 -12.352 14.150 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 3.842 -5.733 6.229 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 4.434 -5.034 6.505 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 4.301 -6.166 5.510 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 2.158 -13.069 5.345 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 2.113 -12.130 5.524 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 1.270 -13.305 5.075 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 2.966 -18.287 14.018 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 2.737 -18.228 13.091 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 2.523 -19.079 14.325 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 9.874 -3.307 4.504 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 9.230 -3.938 4.826 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 10.636 -3.838 4.272 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 14.478 -3.490 4.738 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 14.761 -4.284 5.191 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 15.218 -3.257 4.177 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 7.747 -7.954 21.896 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 7.419 -7.683 21.038 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 7.899 -8.895 21.808 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 1.924 -10.724 21.883 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 2.332 -11.581 21.762 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 1.664 -10.709 22.804 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 5.871 -11.715 19.257 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 5.253 -11.040 19.538 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 6.215 -11.394 18.424 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 10.891 -9.244 22.535 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 11.844 -9.160 22.507 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 10.731 -9.955 23.154 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 17.043 -9.010 4.609 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 16.770 -9.435 3.796 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 17.083 -8.079 4.392 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 6.211 -14.360 20.340 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 6.361 -15.089 19.737 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 6.213 -13.583 19.781 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 6.623 -15.990 17.832 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 7.159 -15.539 17.180 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 5.771 -16.098 17.410 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 8.205 -10.551 18.072 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 8.956 -10.707 17.499 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 7.866 -9.699 17.796 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 13.937 -9.947 21.178 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 13.656 -9.238 20.600 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 14.880 -10.020 21.027 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 7.551 -0.674 6.165 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 8.484 -0.516 6.309 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 7.287 0.001 5.540 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 1.119 -6.038 5.648 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 2.033 -5.959 5.921 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 1.126 -6.725 4.981 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 16.201 -6.398 23.070 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 15.335 -6.503 23.464 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 16.577 -5.639 23.517 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 17.502 -8.141 8.584 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 18.352 -7.720 8.712 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 17.507 -8.881 9.192 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 17.896 -10.088 10.408 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 17.170 -10.567 10.806 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 18.477 -9.882 11.140 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 17.655 -7.303 15.356 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 18.489 -7.681 15.075 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 17.767 -6.360 15.237 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 18.164 -10.187 6.799 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 17.643 -9.830 6.080 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 18.131 -9.512 7.477 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 16.539 -9.597 20.610 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 17.122 -10.331 20.801 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 17.103 -8.825 20.656 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 16.034 -12.666 17.645 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 15.191 -12.398 18.011 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 16.477 -11.844 17.434 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 0.316 -14.218 21.122 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 1.235 -14.340 21.358 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 -0.134 -14.968 21.511 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 1.537 -15.906 14.013 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 1.982 -16.698 14.315 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 2.003 -15.190 14.444 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 -0.159 -12.907 15.082 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 0.333 -13.128 14.292 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 0.203 -12.066 15.363 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 0.118 -17.911 17.481 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 -0.547 -18.157 18.124 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 -0.325 -17.289 16.904 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 10.268 -17.038 13.490 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 9.593 -17.667 13.745 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 10.832 -17.522 12.887 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 2.594 -18.404 11.312 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 1.817 -18.638 10.804 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 3.125 -19.201 11.320 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 7.174 -18.477 11.125 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 8.048 -18.089 11.095 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 7.038 -18.692 12.048 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 3.292 -16.690 5.558 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 3.783 -17.320 5.030 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 3.915 -16.394 6.221 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 10.196 -1.448 6.410 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 11.062 -1.082 6.232 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 9.949 -1.888 5.597 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 3.150 -1.738 5.038 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 2.882 -1.451 5.911 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 3.921 -2.284 5.190 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 11.673 -9.248 30.126 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 11.762 -8.304 29.994 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 11.034 -9.523 29.468 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 10.606 -9.993 33.545 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 10.568 -10.639 34.250 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 10.283 -10.459 32.774 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 14.312 -7.054 31.847 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 13.871 -7.774 32.297 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 14.299 -6.333 32.477 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 0.508 -12.268 29.066 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 0.060 -11.422 29.048 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 -0.053 -12.848 28.551 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 1.218 -10.106 31.192 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 1.432 -10.876 31.719 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 1.956 -10.017 30.589 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 12.136 -13.166 34.279 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 12.279 -14.113 34.299 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 12.030 -12.959 33.350 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 1.911 -12.668 32.313 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 2.565 -13.218 32.745 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 1.935 -12.942 31.397 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 7.067 -11.118 31.529 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 7.683 -11.644 32.038 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 6.481 -11.758 31.125 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 18.050 -14.481 37.048 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 17.361 -13.823 36.953 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 18.065 -14.678 37.985 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 4.101 -16.147 35.625 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 3.882 -15.617 34.859 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 3.433 -15.920 36.273 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 3.695 -14.255 33.578 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 4.308 -13.622 33.951 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 4.207 -14.727 32.921 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 10.394 -10.004 27.578 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 9.682 -9.469 27.227 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 11.085 -9.948 26.918 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 10.448 -11.546 24.617 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 11.149 -11.524 25.268 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 10.750 -12.174 23.961 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 17.763 -10.626 35.872 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 17.111 -9.931 35.961 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 18.228 -10.416 35.062 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 13.800 -9.794 28.530 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 13.068 -9.566 29.103 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 14.247 -10.508 28.985 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 13.697 -11.620 37.598 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 13.777 -10.857 38.170 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 13.096 -11.341 36.907 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 5.445 -9.164 30.413 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 5.115 -9.534 29.594 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.033 -9.834 30.759 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 12.671 -10.632 26.215 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 13.250 -10.482 26.962 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 13.085 -10.161 25.492 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 4.435 -10.094 28.002 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 4.143 -9.326 27.511 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 3.761 -10.754 27.839 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 10.059 -18.216 37.230 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 10.479 -18.631 37.983 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 9.126 -18.394 37.347 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 13.385 -14.460 38.084 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 12.871 -14.586 38.881 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 13.230 -13.548 37.839 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 14.148 -9.599 23.845 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 14.190 -9.822 22.915 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 14.997 -9.201 24.035 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 5.487 -12.972 34.951 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 4.845 -13.013 35.660 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 5.524 -12.046 34.713 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 5.484 -12.751 29.863 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 4.591 -13.092 29.804 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 5.935 -13.128 29.107 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 3.237 -12.652 36.818 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 3.199 -12.252 37.686 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 2.746 -13.469 36.908 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 -0.155 -15.536 30.668 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 0.476 -15.565 31.388 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 0.295 -15.961 29.938 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 9.386 -12.536 32.836 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 9.950 -13.083 32.289 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 9.238 -13.058 33.625 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 8.012 -14.148 35.250 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 7.177 -13.694 35.360 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 8.536 -13.872 36.002 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 13.513 -9.450 33.976 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 12.585 -9.682 33.949 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 13.964 -10.227 33.646 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 1.811 -10.260 24.696 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 2.427 -9.633 25.075 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 0.949 -9.944 24.967 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 2.323 -15.426 37.577 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 1.430 -15.087 37.510 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 2.224 -16.281 37.995 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 14.611 -7.609 27.001 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 14.334 -8.337 27.557 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 15.538 -7.490 27.207 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 3.226 -8.347 26.188 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 2.540 -7.995 26.755 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 3.749 -7.584 25.942 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 11.058 -15.685 36.467 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 11.756 -15.611 37.117 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 10.677 -16.549 36.622 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 9.578 -13.319 37.584 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 9.697 -12.745 38.341 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 10.233 -14.007 37.699 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 15.782 -15.412 38.419 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 14.866 -15.149 38.331 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 16.118 -15.415 37.522 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 14.384 -11.661 32.515 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 13.587 -12.076 32.186 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 14.829 -12.352 33.006 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 5.433 -7.580 23.451 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 5.497 -8.374 23.982 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 6.086 -7.699 22.762 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 6.582 -9.608 25.757 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 6.123 -10.092 26.443 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 6.837 -10.276 25.121 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 7.653 -11.365 24.020 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 7.473 -11.519 23.092 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 8.604 -11.257 24.064 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 17.043 -9.010 23.465 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 16.770 -9.435 22.652 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 17.083 -8.079 23.248 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 6.623 -15.990 36.688 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 7.159 -15.539 36.036 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 5.771 -16.098 36.266 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 7.429 -18.534 37.120 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 7.331 -17.587 37.014 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 6.686 -18.906 36.644 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 11.409 -15.085 39.759 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 10.461 -15.053 39.891 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 11.721 -15.710 40.413 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 13.043 -16.451 41.764 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 12.946 -17.403 41.758 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 12.721 -16.182 42.625 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 7.651 -19.240 39.791 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 8.363 -19.880 39.777 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 7.550 -18.973 38.877 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 17.502 -8.141 27.440 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 18.352 -7.720 27.568 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 17.507 -8.881 28.048 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 17.655 -7.303 34.212 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 18.489 -7.681 33.931 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 17.767 -6.360 34.093 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 16.005 -13.403 33.725 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 16.938 -13.191 33.691 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 15.770 -13.301 34.648 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 16.034 -12.666 36.501 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 15.191 -12.398 36.867 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 16.477 -11.844 36.290 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 0.316 -14.218 39.978 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 1.235 -14.340 40.214 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 -0.134 -14.968 40.367 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 18.317 -18.686 41.855 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 18.667 -19.340 41.249 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 18.464 -17.849 41.415 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 -0.159 -12.907 33.938 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 0.333 -13.128 33.148 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 0.203 -12.066 34.219 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 17.837 -16.577 40.204 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 16.920 -16.306 40.168 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 17.960 -17.112 39.420 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 2.552 -17.890 39.685 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 2.186 -18.655 40.128 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 3.465 -17.861 39.972 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 4.525 -18.539 41.221 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 5.424 -18.813 41.036 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 4.139 -19.282 41.685 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 12.947 -19.207 41.403 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 13.023 -19.633 42.257 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 13.840 -19.193 41.061 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 2.974 8.478 -2.574 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 3.016 7.852 -1.850 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 3.677 9.101 -2.392 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 5.291 3.791 -6.161 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 5.334 4.651 -6.579 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 4.833 3.239 -6.794 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 1.911 6.188 -5.399 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 2.565 5.638 -4.967 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 1.935 5.914 -6.315 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 7.067 7.738 -6.183 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 7.683 7.212 -5.674 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 6.481 7.098 -6.587 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 5.812 8.461 -3.666 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 6.377 8.582 -4.429 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 6.131 9.098 -3.027 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 3.612 9.058 0.280 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 3.682 9.709 0.978 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 2.721 9.161 -0.055 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 10.059 0.640 -0.482 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 10.479 0.225 0.271 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 9.126 0.462 -0.365 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 5.487 5.884 -2.761 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 4.845 5.843 -2.052 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 5.524 6.810 -2.999 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 5.484 6.105 -7.849 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 4.591 5.764 -7.908 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 5.935 5.728 -8.605 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 3.237 6.204 -0.894 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 3.199 6.604 -0.026 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 2.746 5.387 -0.804 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 -0.155 3.320 -7.044 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 0.476 3.291 -6.324 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 0.295 2.895 -7.774 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 8.066 3.532 -6.763 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 7.155 3.589 -6.474 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 8.571 3.472 -5.952 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 2.894 5.161 -7.936 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 2.005 5.261 -8.276 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 3.190 4.319 -8.282 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 12.471 2.767 -3.499 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 11.794 2.898 -2.835 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 11.985 2.612 -4.309 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 9.386 6.320 -4.876 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 9.950 5.773 -5.423 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 9.238 5.798 -4.087 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 4.388 2.456 -8.458 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 4.071 1.554 -8.493 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 5.169 2.458 -9.010 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 8.012 4.708 -2.462 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 7.177 5.162 -2.352 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 8.536 4.984 -1.710 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 0.689 8.677 0.307 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 0.912 8.259 1.139 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 0.087 8.064 -0.115 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 11.058 3.171 -1.245 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 11.756 3.245 -0.595 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 10.677 2.307 -1.090 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 9.578 5.537 -0.128 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 9.697 6.111 0.629 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 10.233 4.849 -0.013 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 9.926 1.632 -8.375 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 9.579 2.250 -7.730 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 10.584 2.133 -8.856 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 1.924 8.132 3.027 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 2.332 7.275 2.906 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 1.664 8.147 3.948 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 5.871 7.141 0.401 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 5.253 7.816 0.682 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 6.215 7.462 -0.432 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 6.211 4.496 1.484 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 6.361 3.767 0.881 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 6.213 5.273 0.925 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 8.205 8.305 -0.784 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 8.956 8.149 -1.357 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 7.866 9.157 -1.060 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 4.689 5.694 3.395 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 3.922 5.162 3.185 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 5.368 5.384 2.796 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 8.693 4.644 2.971 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 8.457 4.424 3.873 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 7.910 4.437 2.462 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 2.870 3.615 3.100 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 3.081 2.908 2.489 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 2.758 3.177 3.944 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 7.651 -0.384 2.079 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 8.363 -1.024 2.065 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 7.550 -0.117 1.165 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 8.004 1.299 4.133 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 7.873 0.823 3.312 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 7.405 2.043 4.077 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 0.316 4.638 2.266 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 1.235 4.516 2.502 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 -0.134 3.888 2.655 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 1.537 2.950 -4.843 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 1.982 2.158 -4.541 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 2.003 3.666 -4.412 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 -0.159 5.949 -3.774 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 0.333 5.728 -4.564 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 0.203 6.790 -3.493 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 10.268 1.818 -5.366 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 9.593 1.189 -5.111 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 10.832 1.334 -5.969 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 15.410 -0.075 -5.254 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 16.014 0.473 -5.755 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 14.541 0.245 -5.494 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 2.594 0.452 -7.544 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 1.817 0.218 -8.052 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 3.125 -0.345 -7.536 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 7.174 0.379 -7.731 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 8.048 0.767 -7.761 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 7.038 0.164 -6.808 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 12.731 0.409 -6.082 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 12.807 0.504 -7.031 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 12.455 -0.499 -5.953 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 4.525 0.317 3.509 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 5.424 0.043 3.324 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 4.139 -0.426 3.973 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 12.947 -0.351 3.691 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 13.023 -0.777 4.545 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 13.840 -0.337 3.349 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 6.603 3.578 4.760 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 6.172 3.133 5.490 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 5.885 3.950 4.248 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 2.158 5.787 5.345 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 2.113 6.726 5.524 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 1.270 5.551 5.075 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 3.292 2.166 5.558 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 3.783 1.536 5.030 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 3.915 2.462 6.221 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 21.830 -48.090 16.282 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 21.872 -48.716 17.006 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 22.533 -47.467 16.464 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 22.754 -43.640 14.817 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 22.384 -44.442 14.448 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 23.695 -43.809 14.864 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 25.526 -46.183 17.057 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 24.786 -45.585 17.160 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 26.240 -45.629 16.741 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 25.668 -43.448 14.238 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 25.573 -44.026 13.481 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 26.397 -43.819 14.734 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 22.468 -47.510 19.136 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 22.538 -46.859 19.834 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 21.577 -47.407 18.801 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 19.384 -45.443 17.961 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 18.883 -45.471 17.146 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 19.390 -46.349 18.271 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 28.311 -42.423 19.403 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 28.398 -41.597 19.878 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 27.447 -42.753 19.652 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 22.379 -39.862 10.990 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 22.531 -40.210 11.869 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 21.528 -40.218 10.735 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 28.932 -45.463 19.316 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 28.586 -45.844 20.122 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 28.732 -44.529 19.387 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 19.545 -47.891 19.163 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 19.768 -48.309 19.995 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 18.943 -48.504 18.741 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 26.562 -48.374 21.376 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 26.266 -48.540 20.481 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 27.493 -48.594 21.366 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 26.854 -41.022 17.144 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 27.217 -40.167 16.911 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 27.386 -41.314 17.885 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 20.752 -42.059 10.179 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 19.920 -41.586 10.206 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 21.298 -41.549 9.580 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 31.215 -42.147 21.858 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 30.864 -43.003 22.101 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 31.941 -42.004 22.465 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 19.948 -45.636 22.463 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 20.092 -46.538 22.177 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 19.175 -45.350 21.975 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 26.603 -45.666 21.896 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 26.275 -45.395 21.038 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 26.755 -46.607 21.808 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 20.780 -48.436 21.883 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 21.188 -49.293 21.762 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 20.520 -48.421 22.804 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 24.727 -49.427 19.257 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 24.109 -48.752 19.538 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 25.071 -49.106 18.424 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 27.061 -48.263 18.072 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 27.812 -48.419 17.499 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 26.722 -47.411 17.796 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 18.624 -38.357 10.725 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 17.977 -38.819 10.192 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 18.979 -39.029 11.308 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 19.574 -47.201 14.981 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 19.758 -47.283 14.046 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 20.423 -47.325 15.405 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 28.431 -40.074 20.843 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 28.616 -40.408 21.721 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 29.278 -39.765 20.521 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 30.776 -38.789 20.087 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 31.453 -39.421 19.847 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 31.098 -38.387 20.895 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 28.700 -38.729 16.137 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 28.243 -38.200 15.483 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 28.863 -38.126 16.862 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 23.078 -40.884 13.497 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 22.859 -41.800 13.666 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 23.902 -40.744 13.963 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 25.615 -40.414 14.345 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 25.828 -41.302 14.058 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 25.680 -40.448 15.300 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 21.830 -48.090 35.138 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 21.872 -48.716 35.862 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 22.533 -47.467 35.320 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 19.364 -49.980 29.066 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 18.916 -49.134 29.048 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 18.803 -50.560 28.551 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 20.074 -47.818 31.192 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 20.288 -48.588 31.719 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 20.812 -47.729 30.589 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 27.851 -45.272 33.951 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 28.155 -45.958 33.357 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 28.573 -45.154 34.569 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 20.767 -50.380 32.313 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 21.421 -50.930 32.745 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 20.791 -50.654 31.397 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 25.923 -48.830 31.529 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 26.539 -49.356 32.038 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 25.337 -49.470 31.125 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 30.326 -44.359 29.169 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 30.030 -44.681 28.318 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 30.002 -43.459 29.211 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 25.526 -46.183 35.913 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 24.786 -45.585 36.016 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 26.240 -45.629 35.597 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.301 -46.876 30.413 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 23.971 -47.246 29.594 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 24.889 -47.546 30.759 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 24.668 -48.107 34.046 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 25.233 -47.986 33.283 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 24.987 -47.470 34.685 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 25.548 -43.708 38.763 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 25.236 -42.926 39.219 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 24.898 -43.861 38.077 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 22.468 -47.510 37.992 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 22.538 -46.859 38.690 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 21.577 -47.407 37.657 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 29.253 -41.607 29.650 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 29.727 -41.312 30.428 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 28.690 -40.869 29.417 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 23.787 -41.636 39.527 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 23.795 -41.772 38.579 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 22.871 -41.754 39.779 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 23.291 -47.806 28.002 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 22.999 -47.038 27.511 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 22.617 -48.466 27.839 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 19.384 -45.443 36.817 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 18.883 -45.471 36.002 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 19.390 -46.349 37.127 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 28.311 -42.423 38.259 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 28.398 -41.597 38.734 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 27.447 -42.753 38.508 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 28.725 -38.651 28.065 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 28.650 -38.772 27.119 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 28.758 -37.701 28.184 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 22.212 -45.655 40.098 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 22.945 -45.401 40.659 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 21.432 -45.451 40.613 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 27.412 -45.647 26.935 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 26.668 -46.154 26.612 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 27.278 -45.598 27.881 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 28.932 -45.463 38.172 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 28.586 -45.844 38.978 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 28.732 -44.529 38.243 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 29.538 -44.188 25.960 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 29.243 -43.362 26.342 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.835 -44.808 26.156 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 19.545 -47.891 38.019 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 19.768 -48.309 38.851 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 18.943 -48.504 37.597 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 20.667 -47.972 24.696 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 21.283 -47.345 25.075 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 19.805 -47.656 24.967 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 26.339 -45.171 29.685 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 26.098 -44.246 29.727 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.599 -45.630 30.081 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 26.854 -41.022 36.000 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 27.217 -40.167 35.767 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 27.386 -41.314 36.741 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 26.692 -42.882 23.222 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.931 -43.630 22.674 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 26.423 -43.270 24.054 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 22.082 -46.059 26.188 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 21.396 -45.707 26.755 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 22.605 -45.296 25.942 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 28.367 -41.614 26.427 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 27.550 -41.117 26.480 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 28.896 -41.139 25.787 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 24.638 -40.527 41.985 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 25.406 -40.986 42.326 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 24.617 -40.753 41.055 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 28.730 -41.019 23.360 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 28.086 -41.650 23.682 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 29.492 -41.550 23.128 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 24.289 -45.292 23.451 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 24.353 -46.086 23.982 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 24.942 -45.411 22.762 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 26.603 -45.666 40.752 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 26.275 -45.395 39.894 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 26.755 -46.607 40.664 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 29.641 -44.245 23.187 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 29.373 -44.065 24.088 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 29.435 -45.171 23.056 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 20.780 -48.436 40.739 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 21.188 -49.293 40.618 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 20.520 -48.421 41.660 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 25.438 -47.320 25.757 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 24.979 -47.804 26.443 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 25.693 -47.988 25.121 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 27.061 -48.263 36.928 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 27.812 -48.419 36.355 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 26.722 -47.411 36.652 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 19.574 -47.201 33.837 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 19.758 -47.283 32.902 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 20.423 -47.325 34.261 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 18.697 -50.619 33.938 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 19.189 -50.840 33.148 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 19.059 -49.778 34.219 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 28.431 -40.074 39.699 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 28.616 -40.408 40.577 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 29.278 -39.765 39.377 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 23.989 -38.617 35.817 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 23.124 -38.545 36.221 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 23.934 -38.070 35.033 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 28.700 -38.729 34.993 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 28.243 -38.200 34.339 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 28.863 -38.126 35.718 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 25.615 -40.414 33.201 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 25.828 -41.302 32.914 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 25.680 -40.448 34.156 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 29.052 -39.160 25.266 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 29.918 -38.794 25.088 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 28.805 -39.600 24.453 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 20.055 -44.548 46.338 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 19.783 -44.319 45.449 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 20.100 -43.710 46.798 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 22.379 -39.862 48.702 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 22.531 -40.210 49.581 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 21.528 -40.218 48.447 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 20.667 -47.972 43.552 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 21.283 -47.345 43.931 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 19.805 -47.656 43.823 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 26.692 -42.882 42.078 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 26.931 -43.630 41.530 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 26.423 -43.270 42.910 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 25.629 -43.312 44.534 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 25.776 -43.832 45.324 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 25.626 -42.405 44.840 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 22.082 -46.059 45.044 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 21.396 -45.707 45.611 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 22.605 -45.296 44.798 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 25.705 -40.571 45.265 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 25.866 -39.771 44.764 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 25.508 -40.264 46.150 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 22.698 -43.445 43.941 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 23.290 -42.746 44.217 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 23.157 -43.878 43.222 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 20.752 -42.059 47.891 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 19.920 -41.586 47.918 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 21.298 -41.549 47.292 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 24.289 -45.292 42.307 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 24.353 -46.086 42.838 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 24.942 -45.411 41.618 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 26.407 -38.386 43.877 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 27.340 -38.228 44.021 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 26.143 -37.711 43.252 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 18.624 -38.357 48.437 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 17.977 -38.819 47.904 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 18.979 -39.029 49.020 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 19.494 -40.276 50.242 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 19.160 -41.157 50.414 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.716 -39.931 51.106 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 23.787 -22.780 1.815 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 23.795 -22.916 0.867 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 22.871 -22.898 2.067 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 19.384 -26.587 -0.895 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 18.883 -26.615 -1.710 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 19.390 -27.493 -0.585 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 21.633 -25.264 0.148 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 21.850 -25.625 1.008 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 20.778 -25.638 -0.062 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 22.212 -26.799 2.386 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 22.945 -26.545 2.947 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 21.432 -26.595 2.901 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 26.854 -22.166 -1.712 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 27.217 -21.311 -1.945 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 27.386 -22.458 -0.971 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 20.830 -22.477 -1.700 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 21.047 -23.409 -1.731 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 21.077 -22.203 -0.816 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 24.638 -21.671 4.273 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.406 -22.130 4.614 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 24.617 -21.897 3.343 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 19.948 -26.780 3.607 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 20.092 -27.682 3.321 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 19.175 -26.494 3.119 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 21.166 -23.592 2.769 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 20.345 -23.417 2.309 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 20.914 -23.665 3.690 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 24.120 -22.617 -0.972 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 23.695 -21.808 -1.255 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 25.025 -22.532 -1.274 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 28.431 -21.218 1.987 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 28.616 -21.552 2.865 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 29.278 -20.909 1.665 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 30.776 -19.933 1.231 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 31.453 -20.565 0.991 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 31.098 -19.531 2.039 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 21.522 -19.361 -0.925 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 20.802 -18.921 -1.376 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 21.156 -19.612 -0.076 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 23.989 -19.761 -1.895 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 23.124 -19.689 -1.491 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 23.934 -19.214 -2.679 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 19.364 -31.124 10.210 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 18.916 -30.278 10.192 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 18.803 -31.704 9.695 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 30.279 -20.805 13.203 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 30.899 -21.482 12.930 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 30.071 -21.023 14.111 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 27.851 -26.416 15.095 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 28.155 -27.102 14.501 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 28.573 -26.298 15.713 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 24.147 -33.921 12.695 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.190 -33.061 12.277 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 23.689 -34.473 12.062 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 20.767 -31.524 13.457 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 21.421 -32.074 13.889 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 20.791 -31.798 12.541 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.923 -29.974 12.673 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 26.539 -30.500 13.182 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 25.337 -30.614 12.269 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 25.526 -27.327 17.057 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 24.786 -26.729 17.160 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 26.240 -26.773 16.741 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 22.551 -33.111 14.722 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 23.164 -32.478 15.095 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 23.063 -33.583 14.065 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 20.055 -25.692 8.626 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 19.783 -25.463 7.737 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 20.100 -24.854 9.086 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 26.983 -37.697 14.222 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 26.866 -38.646 14.168 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 26.128 -37.365 14.495 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 24.301 -28.020 11.557 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 23.971 -28.390 10.738 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 24.889 -28.690 11.903 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 25.668 -24.592 14.238 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 25.573 -25.170 13.481 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 26.397 -24.963 14.734 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 24.668 -29.251 15.190 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.233 -29.130 14.427 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 24.987 -28.614 15.829 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 23.291 -28.950 9.146 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 22.999 -28.182 8.655 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 22.617 -29.610 8.983 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 28.311 -23.567 19.403 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 28.398 -22.741 19.878 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 27.447 -23.897 19.652 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 28.725 -19.795 9.209 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 28.650 -19.916 8.263 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 28.758 -18.845 9.328 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 22.379 -21.006 10.990 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 22.531 -21.354 11.869 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 21.528 -21.362 10.735 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 24.252 -36.794 15.000 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 23.391 -36.881 14.592 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 24.230 -35.938 15.427 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 28.915 -37.072 18.374 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 29.335 -37.487 19.127 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 27.982 -37.250 18.491 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 24.343 -31.828 16.095 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 23.701 -31.869 16.804 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 24.380 -30.902 15.857 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 24.340 -31.607 11.007 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 23.447 -31.948 10.948 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 24.791 -31.984 10.251 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 28.978 -31.016 21.312 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 28.415 -31.720 21.632 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 29.804 -31.136 21.779 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.976 -33.646 7.236 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 20.450 -33.055 6.651 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 19.258 -33.115 7.583 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 21.750 -32.551 10.920 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 20.861 -32.451 10.580 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 22.046 -33.393 10.574 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 23.244 -35.256 10.398 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 22.927 -36.158 10.363 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 24.025 -35.254 9.846 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 26.868 -33.004 16.394 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 26.033 -32.550 16.504 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 27.392 -32.728 17.146 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 28.932 -26.607 19.316 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 28.586 -26.988 20.122 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 28.732 -25.673 19.387 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 26.562 -29.518 21.376 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 26.266 -29.684 20.481 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 27.493 -29.738 21.366 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 31.182 -24.145 19.266 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 30.281 -23.962 18.998 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 31.216 -23.886 20.187 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 24.912 -23.978 11.253 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 25.439 -23.205 11.052 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 24.032 -23.753 10.951 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 26.339 -26.315 10.829 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 26.098 -25.390 10.871 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 25.599 -26.774 11.225 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.854 -22.166 17.144 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 27.217 -21.311 16.911 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 27.386 -22.458 17.885 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 25.023 -21.293 10.374 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 24.073 -21.188 10.426 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 25.374 -20.473 10.719 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 30.398 -26.067 16.845 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 29.972 -26.294 17.671 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 30.979 -26.805 16.662 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 26.692 -24.026 4.366 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 26.931 -24.774 3.818 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 26.423 -24.414 5.198 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 25.629 -24.456 6.822 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 25.776 -24.976 7.612 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 25.626 -23.549 7.128 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 22.082 -27.203 7.332 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 21.396 -26.851 7.899 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 22.605 -26.440 7.086 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 28.367 -22.758 7.571 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 27.550 -22.261 7.624 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 28.896 -22.283 6.931 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 28.434 -32.175 18.728 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 28.553 -31.601 19.485 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 29.089 -32.863 18.843 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 25.705 -21.715 7.553 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 25.866 -20.915 7.052 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 25.508 -21.408 8.438 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 22.698 -24.589 6.229 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 23.290 -23.890 6.505 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 23.157 -25.022 5.510 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 20.752 -23.203 10.179 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 19.920 -22.730 10.206 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 21.298 -22.693 9.580 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 28.730 -22.163 4.504 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 28.086 -22.794 4.826 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 29.492 -22.694 4.272 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 31.215 -23.291 21.858 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 30.864 -24.147 22.101 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 31.941 -23.148 22.465 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 24.289 -26.436 4.595 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 24.353 -27.230 5.126 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 24.942 -26.555 3.906 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 24.727 -30.571 19.257 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 24.109 -29.896 19.538 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 25.071 -30.250 18.424 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 29.747 -28.100 22.535 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 30.700 -28.016 22.507 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 29.587 -28.811 23.154 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 25.479 -34.846 17.832 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 26.015 -34.395 17.180 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 24.627 -34.954 17.410 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 27.061 -29.407 18.072 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 27.812 -29.563 17.499 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 26.722 -28.555 17.796 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 26.285 -37.390 18.264 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 26.187 -36.443 18.158 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 25.542 -37.762 17.788 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 27.549 -33.068 21.827 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 27.313 -33.288 22.729 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 26.766 -33.275 21.318 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 26.860 -36.413 22.989 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 26.729 -36.889 22.168 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 26.261 -35.669 22.933 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 19.975 -24.894 5.648 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 20.889 -24.815 5.921 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 19.982 -25.581 4.981 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 19.010 -35.505 9.137 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 18.085 -35.296 9.007 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 19.464 -35.021 8.447 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 28.431 -21.218 20.843 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 28.616 -21.552 21.721 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 29.278 -20.909 20.521 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 30.776 -19.933 20.087 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 31.453 -20.565 19.847 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 31.098 -19.531 20.895 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 28.700 -19.873 16.137 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 28.243 -19.344 15.483 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 28.863 -19.270 16.862 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 31.027 -20.995 17.082 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 30.123 -20.830 16.816 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 31.456 -20.142 17.016 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.078 -22.028 13.497 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 22.859 -22.944 13.666 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 23.902 -21.888 13.963 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 25.615 -21.558 14.345 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 25.828 -22.446 14.058 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 25.680 -21.592 15.300 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 21.450 -37.260 11.312 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 20.673 -37.494 10.804 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 21.981 -38.057 11.320 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 29.052 -20.304 6.410 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 29.918 -19.938 6.232 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 28.805 -20.744 5.597 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 22.754 -24.784 33.673 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 22.384 -25.586 33.304 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 23.695 -24.953 33.720 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 25.923 -29.974 31.529 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 26.539 -30.500 32.038 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 25.337 -30.614 31.125 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 25.526 -27.327 35.913 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 24.786 -26.729 36.016 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 26.240 -26.773 35.597 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 26.983 -37.697 33.078 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 26.866 -38.646 33.024 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 26.128 -37.365 33.351 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 29.304 -30.402 24.617 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 30.005 -30.380 25.268 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 29.606 -31.030 23.961 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 24.301 -28.020 30.413 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 23.971 -28.390 29.594 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 24.889 -28.690 30.759 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 25.668 -24.592 33.094 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 25.573 -25.170 32.337 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 26.397 -24.963 33.590 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 24.668 -29.251 34.046 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 25.233 -29.130 33.283 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 24.987 -28.614 34.685 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 22.468 -28.654 37.992 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 22.538 -28.003 38.690 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 21.577 -28.551 37.657 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 19.384 -26.587 36.817 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 18.883 -26.615 36.002 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 19.390 -27.493 37.127 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 19.135 -23.807 33.701 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 20.081 -23.951 33.682 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 19.022 -23.023 34.238 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 22.379 -21.006 29.846 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 22.531 -21.354 30.725 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 21.528 -21.362 29.591 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.252 -36.794 33.856 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 23.391 -36.881 33.448 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.230 -35.938 34.283 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.577 -34.579 24.515 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 28.323 -34.560 25.438 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 28.320 -35.451 24.214 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.922 -34.180 30.949 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 26.011 -34.123 31.238 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 27.427 -34.240 31.760 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.403 -32.551 27.432 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 26.335 -32.422 27.610 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.188 -31.881 26.783 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 28.242 -31.392 32.836 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 28.806 -31.939 32.289 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 28.094 -31.914 33.625 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 26.868 -33.004 35.250 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 26.033 -32.550 35.360 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 27.392 -32.728 36.002 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 27.412 -26.791 26.935 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 26.668 -27.298 26.612 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 27.278 -26.742 27.881 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 22.537 -27.496 32.704 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 23.282 -27.498 32.103 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 22.615 -28.320 33.186 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 29.538 -25.332 25.960 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 29.243 -24.506 26.342 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 28.835 -25.952 26.156 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 19.545 -29.035 38.019 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 19.768 -29.453 38.851 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 18.943 -29.648 37.597 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 24.912 -23.978 30.109 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 25.439 -23.205 29.908 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 24.032 -23.753 29.807 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 26.339 -26.315 29.685 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 26.098 -25.390 29.727 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 25.599 -26.774 30.081 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 25.023 -21.293 29.230 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 24.073 -21.188 29.282 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 25.374 -20.473 29.575 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 21.179 -34.282 37.577 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 20.286 -33.943 37.510 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 21.080 -35.137 37.995 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 20.830 -22.477 36.012 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 21.047 -23.409 35.981 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 21.077 -22.203 36.896 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 25.629 -24.456 25.678 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 25.776 -24.976 26.468 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 25.626 -23.549 25.984 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 28.367 -22.758 26.427 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 27.550 -22.261 26.480 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 28.896 -22.283 25.787 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 27.898 -33.161 28.399 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 28.710 -32.657 28.445 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 27.653 -33.306 29.313 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 28.782 -36.080 29.337 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 28.435 -35.462 29.982 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 29.440 -35.579 28.856 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 25.705 -21.715 26.409 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 25.866 -20.915 25.908 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 25.508 -21.408 27.294 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 20.041 -20.590 40.365 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 20.581 -20.807 41.124 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 19.560 -21.396 40.175 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 28.730 -22.163 23.360 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 28.086 -22.794 23.682 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 29.492 -22.694 23.128 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 19.948 -26.780 41.319 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 20.092 -27.682 41.033 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 19.175 -26.494 40.831 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 29.641 -25.389 23.187 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 29.373 -25.209 24.088 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 29.435 -26.315 23.056 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 20.780 -29.580 40.739 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 21.188 -30.437 40.618 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 20.520 -29.565 41.660 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 25.438 -28.464 25.757 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 24.979 -28.948 26.443 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 25.693 -29.132 25.121 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 24.727 -30.571 38.113 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 24.109 -29.896 38.394 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.071 -30.250 37.280 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 26.509 -30.221 24.020 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 26.329 -30.375 23.092 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 27.460 -30.113 24.064 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 25.067 -33.216 39.196 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 25.217 -33.945 38.593 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 25.069 -32.439 38.637 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 25.479 -34.846 36.688 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 26.015 -34.395 36.036 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 24.627 -34.954 36.266 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 27.061 -29.407 36.928 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 27.812 -29.563 36.355 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 26.722 -28.555 36.652 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 23.545 -32.018 41.107 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 22.778 -32.550 40.897 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 24.224 -32.328 40.508 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 26.285 -37.390 37.120 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 26.187 -36.443 37.014 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 25.542 -37.762 36.644 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 21.726 -34.097 40.812 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 21.937 -34.804 40.201 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 21.614 -34.535 41.656 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 26.507 -38.096 39.791 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.219 -38.736 39.777 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 26.406 -37.829 38.877 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 26.860 -36.413 41.845 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 26.729 -36.889 41.024 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 26.261 -35.669 41.789 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 26.407 -19.530 25.021 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 27.340 -19.372 25.165 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 26.143 -18.855 24.396 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 19.494 -21.420 31.386 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 19.160 -22.301 31.558 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 19.716 -21.075 32.250 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 21.522 -19.361 36.787 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 20.802 -18.921 36.336 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 21.156 -19.612 37.636 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 23.989 -19.761 35.817 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 23.124 -19.689 36.221 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 23.934 -19.214 35.033 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 20.937 -20.738 33.698 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 20.918 -21.163 34.555 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 21.742 -21.056 33.289 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 23.078 -22.028 32.353 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 22.859 -22.944 32.522 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 23.902 -21.888 32.819 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 26.030 -37.333 29.981 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 26.904 -36.945 29.951 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 25.894 -37.548 30.904 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 27.174 -35.253 26.871 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 27.352 -35.899 27.554 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 27.120 -34.419 27.338 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 29.052 -20.304 25.266 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 29.918 -19.938 25.088 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 28.805 -20.744 24.453 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 20.074 -28.962 50.048 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 20.288 -29.732 50.575 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 20.812 -28.873 49.445 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 24.147 -33.921 50.407 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 24.190 -33.061 49.989 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 23.689 -34.473 49.774 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 20.767 -31.524 51.169 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 21.421 -32.074 51.601 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 20.791 -31.798 50.253 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 22.551 -33.111 52.434 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 23.164 -32.478 52.807 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 23.063 -33.583 51.777 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 23.291 -28.950 46.858 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 22.999 -28.182 46.367 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 22.617 -29.610 46.695 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 24.340 -31.607 48.719 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 23.447 -31.948 48.660 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 24.791 -31.984 47.963 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 25.459 -34.134 42.472 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 25.028 -34.579 43.202 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 24.741 -33.762 41.960 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 21.750 -32.551 48.632 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 20.861 -32.451 48.292 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 22.046 -33.393 48.286 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 25.403 -32.551 46.288 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 26.335 -32.422 46.466 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 25.188 -31.881 45.639 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 24.077 -31.356 43.855 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 23.535 -31.736 43.164 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 24.911 -31.162 43.426 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 23.244 -35.256 48.110 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 22.927 -36.158 48.075 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 24.025 -35.254 47.558 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 20.667 -29.116 43.552 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 21.283 -28.489 43.931 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 19.805 -28.800 43.823 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.082 -27.203 45.044 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 21.396 -26.851 45.611 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.605 -26.440 44.798 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 24.439 -35.017 44.881 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 24.356 -34.128 45.227 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 25.329 -35.282 45.112 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 21.822 -37.143 51.730 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 21.593 -37.084 50.803 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 21.379 -37.935 52.037 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 20.393 -34.762 51.725 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 20.838 -35.554 52.027 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 20.859 -34.046 52.156 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 18.697 -31.763 52.794 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 19.189 -31.984 52.004 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 19.059 -30.922 53.075 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 21.450 -37.260 49.024 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 20.673 -37.494 48.516 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 21.981 -38.057 49.032 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 27.174 -35.253 45.727 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 27.352 -35.899 46.410 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 27.120 -34.419 46.194 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 21.830 -10.378 -2.574 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 21.872 -11.004 -1.850 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 22.533 -9.755 -2.392 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 20.074 -10.106 -6.520 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 20.288 -10.876 -5.993 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 20.812 -10.017 -7.123 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 20.767 -12.668 -5.399 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 21.421 -13.218 -4.967 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 20.791 -12.942 -6.315 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 22.957 -16.147 -2.087 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 22.738 -15.617 -2.853 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 22.289 -15.920 -1.439 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 22.468 -9.798 0.280 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 22.538 -9.147 0.978 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.577 -9.695 -0.055 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 19.384 -7.731 -0.895 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 18.883 -7.759 -1.710 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 19.390 -8.637 -0.585 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 19.135 -4.951 -4.011 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 20.081 -5.095 -4.030 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 19.022 -4.167 -3.474 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 21.633 -6.408 0.148 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 21.850 -6.769 1.008 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 20.778 -6.782 -0.062 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 24.252 -17.938 -3.856 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 23.391 -18.025 -4.264 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 24.230 -17.082 -3.429 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 28.915 -18.216 -0.482 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 29.335 -18.631 0.271 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 27.982 -18.394 -0.365 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 24.343 -12.972 -2.761 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 23.701 -13.013 -2.052 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 24.380 -12.046 -2.999 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 28.978 -12.160 2.456 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 28.415 -12.864 2.776 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 29.804 -12.280 2.923 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 22.093 -12.652 -0.894 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 22.055 -12.252 -0.026 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 21.602 -13.469 -0.804 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 22.212 -7.943 2.386 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 22.945 -7.689 2.947 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 21.432 -7.739 2.901 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 26.868 -14.148 -2.462 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 26.033 -13.694 -2.352 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 27.392 -13.872 -1.710 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 26.562 -10.662 2.520 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 26.266 -10.828 1.625 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 27.493 -10.882 2.510 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 21.179 -15.426 -0.135 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 20.286 -15.087 -0.202 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 21.080 -16.281 0.283 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 20.830 -3.621 -1.700 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 21.047 -4.553 -1.731 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.077 -3.347 -0.816 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 29.914 -15.685 -1.245 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 30.612 -15.611 -0.595 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 29.533 -16.549 -1.090 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 28.434 -13.319 -0.128 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 28.553 -12.745 0.629 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 29.089 -14.007 -0.013 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 19.948 -7.924 3.607 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 20.092 -8.826 3.321 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 19.175 -7.638 3.119 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 20.780 -10.724 3.027 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 21.188 -11.581 2.906 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 20.520 -10.709 3.948 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 24.727 -11.715 0.401 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 24.109 -11.040 0.682 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 25.071 -11.394 -0.432 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 25.479 -15.990 -1.024 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 26.015 -15.539 -1.676 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 24.627 -16.098 -1.446 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 26.285 -18.534 -0.592 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 26.187 -17.587 -0.698 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 25.542 -18.906 -1.068 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 27.549 -14.212 2.971 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 27.313 -14.432 3.873 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 26.766 -14.419 2.462 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 30.265 -15.085 2.047 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 29.317 -15.053 2.179 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 30.577 -15.710 2.701 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 31.899 -16.451 4.052 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 31.802 -17.403 4.046 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 31.577 -16.182 4.913 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 19.494 -2.564 -6.326 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 19.160 -3.445 -6.154 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 19.716 -2.219 -5.462 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 19.574 -9.489 -3.875 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 19.758 -9.571 -4.810 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 20.423 -9.613 -3.451 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 18.697 -12.907 -3.774 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 19.189 -13.128 -4.564 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 19.059 -12.066 -3.493 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 18.974 -17.911 -1.375 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 18.309 -18.157 -0.732 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 18.531 -17.289 -1.952 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 31.803 -19.207 3.691 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 31.879 -19.633 4.545 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 32.696 -19.193 3.349 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 21.830 -10.378 16.282 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 21.872 -11.004 17.006 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 22.533 -9.755 16.464 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 19.364 -12.268 10.210 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 18.916 -11.422 10.192 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 18.803 -12.848 9.695 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 20.074 -10.106 12.336 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 20.288 -10.876 12.863 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 20.812 -10.017 11.733 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 30.992 -13.166 15.423 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 31.135 -14.113 15.443 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 30.886 -12.959 14.494 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 24.147 -15.065 12.695 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 24.190 -14.205 12.277 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 23.689 -15.617 12.062 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 20.767 -12.668 13.457 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 21.421 -13.218 13.889 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 20.791 -12.942 12.541 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 25.526 -8.471 17.057 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 24.786 -7.873 17.160 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 26.240 -7.917 16.741 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 22.551 -14.255 14.722 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 23.164 -13.622 15.095 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 23.063 -14.727 14.065 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 23.934 -6.507 17.844 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 23.928 -5.628 17.466 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 23.080 -6.590 18.269 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 26.983 -18.841 14.222 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 26.866 -19.790 14.168 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 26.128 -18.509 14.495 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 29.304 -11.546 5.761 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 30.005 -11.524 6.412 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 29.606 -12.174 5.105 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 24.668 -10.395 15.190 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 25.233 -10.274 14.427 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 24.987 -9.758 15.829 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 25.548 -5.996 19.907 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 25.236 -5.214 20.363 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 24.898 -6.149 19.221 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 23.787 -3.924 20.671 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 23.795 -4.060 19.723 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 22.871 -4.042 20.923 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 23.291 -10.094 9.146 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 22.999 -9.326 8.655 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 22.617 -10.754 8.983 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 19.384 -7.731 17.961 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 18.883 -7.759 17.146 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 19.390 -8.637 18.271 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 21.633 -6.408 19.004 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.850 -6.769 19.864 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.778 -6.782 18.794 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 32.241 -14.460 19.228 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 31.727 -14.586 20.025 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 32.086 -13.548 18.983 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 28.577 -15.723 5.659 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 28.323 -15.704 6.582 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 28.320 -16.595 5.358 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 24.343 -12.972 16.095 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 23.701 -13.013 16.804 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 24.380 -12.046 15.857 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 24.340 -12.751 11.007 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 23.447 -13.092 10.948 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 24.791 -13.128 10.251 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 28.978 -12.160 21.312 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 28.415 -12.864 21.632 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 29.804 -12.280 21.779 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 18.701 -15.536 11.812 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 19.332 -15.565 12.532 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 19.151 -15.961 11.082 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 30.144 -11.251 17.309 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 30.468 -11.882 16.666 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 29.704 -11.786 17.970 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 26.922 -15.324 12.093 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 26.011 -15.267 12.382 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 27.427 -15.384 12.904 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 21.750 -13.695 10.920 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 20.861 -13.595 10.580 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 22.046 -14.537 10.574 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 25.403 -13.695 8.576 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 26.335 -13.566 8.754 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 25.188 -13.025 7.927 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 31.327 -16.089 15.357 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 30.650 -15.958 16.021 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 30.841 -16.244 14.547 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 24.077 -12.500 6.143 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 23.535 -12.880 5.452 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 24.911 -12.306 5.714 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 28.242 -12.536 13.980 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 28.806 -13.083 13.433 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 28.094 -13.058 14.769 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 23.244 -16.400 10.398 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 22.927 -17.302 10.363 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 24.025 -16.398 9.846 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 31.310 -15.121 6.278 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 30.372 -15.009 6.127 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 31.607 -14.264 6.584 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 28.932 -7.751 19.316 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 28.586 -8.132 20.122 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 28.732 -6.817 19.387 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 22.537 -8.640 13.848 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 23.282 -8.642 13.247 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 22.615 -9.464 14.330 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 26.562 -10.662 21.376 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 26.266 -10.828 20.481 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 27.493 -10.882 21.366 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 20.667 -10.260 5.840 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 21.283 -9.633 6.219 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 19.805 -9.944 6.111 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 22.082 -8.347 7.332 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 21.396 -7.995 7.899 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 22.605 -7.584 7.086 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 29.914 -15.685 17.611 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 30.612 -15.611 18.261 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 29.533 -16.549 17.766 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 30.698 -16.033 8.708 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 30.918 -15.561 7.905 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 31.256 -15.638 9.379 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 27.898 -14.305 9.543 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 28.710 -13.801 9.589 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 27.653 -14.450 10.457 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 28.434 -13.319 18.728 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 28.553 -12.745 19.485 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 29.089 -14.007 18.843 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 28.782 -17.224 10.481 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 28.435 -16.606 11.126 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 29.440 -16.723 10.000 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 21.822 -18.287 14.018 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 21.593 -18.228 13.091 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 21.379 -19.079 14.325 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 24.638 -2.815 23.129 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 25.406 -3.274 23.470 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 24.617 -3.041 22.199 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 26.603 -7.954 21.896 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 26.275 -7.683 21.038 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 26.755 -8.895 21.808 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 25.438 -9.608 6.901 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 24.979 -10.092 7.587 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 25.693 -10.276 6.265 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 26.509 -11.365 5.164 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 26.329 -11.519 4.236 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 27.460 -11.257 5.208 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 29.747 -9.244 22.535 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 30.700 -9.160 22.507 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 29.587 -9.955 23.154 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 27.061 -10.551 18.072 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 27.812 -10.707 17.499 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 26.722 -9.699 17.796 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 31.477 -12.736 23.100 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 31.669 -13.667 22.989 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 32.334 -12.311 23.090 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 27.549 -14.212 21.827 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 27.313 -14.432 22.729 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 26.766 -14.419 21.318 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 30.265 -15.085 20.903 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 29.317 -15.053 21.035 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 30.577 -15.710 21.557 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 31.899 -16.451 22.908 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 31.802 -17.403 22.902 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 31.577 -16.182 23.769 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 26.860 -17.557 22.989 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 26.729 -18.033 22.168 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 26.261 -16.813 22.933 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.574 -9.489 14.981 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 19.758 -9.571 14.046 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 20.423 -9.613 15.405 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 18.697 -12.907 15.082 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 19.189 -13.128 14.292 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 19.059 -12.066 15.363 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 21.166 -4.736 21.625 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 20.345 -4.561 21.165 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 20.914 -4.809 22.546 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 29.124 -17.038 13.490 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 28.449 -17.667 13.745 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 29.688 -17.522 12.887 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 21.450 -18.404 11.312 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 20.673 -18.638 10.804 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 21.981 -19.201 11.320 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 26.030 -18.477 11.125 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 26.904 -18.089 11.095 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 25.894 -18.692 12.048 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 27.174 -16.397 8.015 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 27.352 -17.043 8.698 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 27.120 -15.563 8.482 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 31.803 -19.207 22.547 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 31.879 -19.633 23.401 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 32.696 -19.193 22.205 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 30.529 -9.248 30.126 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 30.618 -8.304 29.994 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 29.890 -9.523 29.468 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 29.462 -9.993 33.545 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 29.424 -10.639 34.250 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 29.139 -10.459 32.774 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 22.754 -5.928 33.673 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 22.384 -6.730 33.304 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 23.695 -6.097 33.720 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 27.851 -7.560 33.951 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 28.155 -8.246 33.357 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 28.573 -7.442 34.569 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 30.992 -13.166 34.279 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 31.135 -14.113 34.299 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 30.886 -12.959 33.350 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 22.957 -16.147 35.625 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 22.738 -15.617 34.859 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 22.289 -15.920 36.273 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 30.326 -6.647 29.169 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 30.030 -6.969 28.318 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 30.002 -5.747 29.211 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 25.526 -8.471 35.913 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 24.786 -7.873 36.016 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 26.240 -7.917 35.597 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 23.934 -6.507 36.700 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 23.928 -5.628 36.322 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 23.080 -6.590 37.125 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 20.055 -6.836 27.482 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 19.783 -6.607 26.593 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 20.100 -5.998 27.942 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 26.983 -18.841 33.078 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 26.866 -19.790 33.024 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 26.128 -18.509 33.351 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 29.250 -10.004 27.578 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 28.538 -9.469 27.227 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 29.941 -9.948 26.918 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 29.304 -11.546 24.617 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 30.005 -11.524 25.268 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 29.606 -12.174 23.961 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 32.656 -9.794 28.530 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 31.924 -9.566 29.103 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 33.103 -10.508 28.985 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 25.668 -5.736 33.094 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 25.573 -6.314 32.337 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 26.397 -6.107 33.590 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 25.548 -5.996 38.763 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 25.236 -5.214 39.219 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 24.898 -6.149 38.077 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 31.527 -10.632 26.215 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 32.106 -10.482 26.962 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 31.941 -10.161 25.492 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 22.468 -9.798 37.992 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 22.538 -9.147 38.690 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 21.577 -9.695 37.657 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 29.253 -3.895 29.650 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 29.727 -3.600 30.428 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 28.690 -3.157 29.417 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 19.384 -7.731 36.817 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 18.883 -7.759 36.002 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 19.390 -8.637 37.127 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 19.135 -4.951 33.701 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 20.081 -5.095 33.682 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 19.022 -4.167 34.238 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 21.633 -6.408 37.860 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 21.850 -6.769 38.720 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 20.778 -6.782 37.650 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 24.252 -17.938 33.856 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 23.391 -18.025 33.448 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 24.230 -17.082 34.283 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 33.004 -9.599 23.845 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 33.046 -9.822 22.915 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 33.853 -9.201 24.035 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 28.577 -15.723 24.515 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 28.323 -15.704 25.438 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 28.320 -16.595 24.214 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 29.876 -12.335 28.680 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 29.467 -11.520 28.388 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 30.596 -12.475 28.065 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 30.880 -12.889 31.494 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 30.685 -12.284 30.779 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 31.062 -13.723 31.059 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 22.093 -12.652 36.818 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 22.055 -12.252 37.686 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 21.602 -13.469 36.908 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 30.144 -11.251 36.165 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 30.468 -11.882 35.522 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 29.704 -11.786 36.826 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 26.922 -15.324 30.949 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 26.011 -15.267 31.238 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 27.427 -15.384 31.760 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 28.242 -12.536 32.836 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 28.806 -13.083 32.289 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 28.094 -13.058 33.625 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 26.868 -14.148 35.250 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 26.033 -13.694 35.360 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 27.392 -13.872 36.002 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 31.310 -15.121 25.134 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 30.372 -15.009 24.983 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 31.607 -14.264 25.440 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 28.932 -7.751 38.172 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 28.586 -8.132 38.978 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 28.732 -6.817 38.243 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 32.028 -13.254 26.795 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 32.920 -13.391 27.114 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 32.085 -12.463 26.258 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 29.538 -6.476 25.960 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 29.243 -5.650 26.342 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 28.835 -7.096 26.156 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 19.545 -10.179 38.019 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 19.768 -10.597 38.851 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 18.943 -10.792 37.597 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 32.369 -9.450 33.976 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 31.441 -9.682 33.949 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 32.820 -10.227 33.646 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 24.912 -5.122 30.109 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 25.439 -4.349 29.908 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 24.032 -4.897 29.807 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 25.023 -2.437 29.230 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 24.073 -2.332 29.282 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 25.374 -1.617 29.575 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 30.398 -7.211 35.701 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 29.972 -7.438 36.527 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 30.979 -7.949 35.518 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 32.601 -6.282 24.775 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 32.954 -6.662 25.579 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 31.652 -6.375 24.861 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 21.179 -15.426 37.577 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 20.286 -15.087 37.510 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 21.080 -16.281 37.995 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 26.692 -5.170 23.222 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 26.931 -5.918 22.674 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 26.423 -5.558 24.054 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 30.698 -16.033 27.564 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 30.918 -15.561 26.761 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 31.256 -15.638 28.235 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 28.367 -3.902 26.427 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 27.550 -3.405 26.480 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 28.896 -3.427 25.787 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 27.898 -14.305 28.399 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 28.710 -13.801 28.445 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 27.653 -14.450 29.313 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 28.434 -13.319 37.584 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 28.553 -12.745 38.341 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 29.089 -14.007 37.699 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 28.782 -17.224 29.337 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 28.435 -16.606 29.982 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 29.440 -16.723 28.856 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 25.705 -2.859 26.409 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 25.866 -2.059 25.908 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 25.508 -2.552 27.294 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 24.439 -16.161 26.025 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 24.356 -15.272 26.371 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 25.329 -16.426 26.256 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 22.698 -5.733 25.085 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 23.290 -5.034 25.361 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 23.157 -6.166 24.366 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 21.822 -18.287 32.874 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 21.593 -18.228 31.947 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 21.379 -19.079 33.181 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 20.752 -4.347 29.035 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 19.920 -3.874 29.062 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 21.298 -3.837 28.436 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 28.730 -3.307 23.360 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 28.086 -3.938 23.682 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 29.492 -3.838 23.128 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 29.641 -6.533 23.187 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 29.373 -6.353 24.088 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 29.435 -7.459 23.056 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 24.727 -11.715 38.113 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 24.109 -11.040 38.394 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 25.071 -11.394 37.280 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 25.067 -14.360 39.196 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 25.217 -15.089 38.593 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 25.069 -13.583 38.637 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 25.479 -15.990 36.688 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 26.015 -15.539 36.036 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 24.627 -16.098 36.266 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 27.061 -10.551 36.928 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 27.812 -10.707 36.355 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 26.722 -9.699 36.652 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 19.975 -6.038 24.504 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 20.889 -5.959 24.777 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 19.982 -6.725 23.837 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 19.574 -9.489 33.837 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 19.758 -9.571 32.902 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 20.423 -9.613 34.261 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 19.172 -14.218 39.978 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 20.091 -14.340 40.214 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 18.722 -14.968 40.367 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 18.697 -12.907 33.938 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 19.189 -13.128 33.148 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 19.059 -12.066 34.219 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 23.078 -3.172 32.353 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 22.859 -4.088 32.522 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 23.902 -3.032 32.819 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 25.615 -2.702 33.201 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 25.828 -3.590 32.914 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 25.680 -2.736 34.156 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 29.124 -17.038 32.346 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 28.449 -17.667 32.601 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 29.688 -17.522 31.743 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 21.450 -18.404 30.168 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 20.673 -18.638 29.660 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 21.981 -19.201 30.176 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 26.030 -18.477 29.981 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 26.904 -18.089 29.951 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 25.894 -18.692 30.904 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 27.174 -16.397 26.871 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 27.352 -17.043 27.554 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 27.120 -15.563 27.338 0.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 21.408 -17.890 39.685 0.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 21.042 -18.655 40.128 0.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 22.321 -17.861 39.972 0.00 0.00 WAT1 END