REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/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:10-Jun-2009 12:09:02 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 20.671 -8.146 -14.615 1.00 2.52 ATOM 2 CB MET 1 22.478 -8.092 -13.467 1.00 22.34 ATOM 3 HB1 MET 1 22.832 -9.071 -13.767 1.00 36.35 ATOM 4 HB2 MET 1 22.756 -7.918 -12.436 1.00 4.20 ATOM 5 CG MET 1 23.171 -7.054 -14.334 1.00 64.32 ATOM 6 HG1 MET 1 22.811 -6.074 -14.060 1.00 36.35 ATOM 7 HG2 MET 1 22.928 -7.246 -15.368 1.00 13.02 ATOM 8 SD MET 1 24.964 -7.073 -14.141 1.00 41.11 ATOM 9 CE MET 1 25.414 -8.377 -15.283 1.00 61.12 ATOM 10 HE1 MET 1 25.090 -8.112 -16.278 1.00 12.02 ATOM 11 HE2 MET 1 24.938 -9.299 -14.983 1.00 4.02 ATOM 12 HE3 MET 1 26.486 -8.507 -15.276 1.00 22.50 ATOM 13 C MET 1 20.351 -9.226 -12.798 1.00 74.02 ATOM 14 O MET 1 20.220 -9.171 -11.576 1.00 41.11 ATOM 15 N MET 1 20.438 -6.786 -13.079 1.00 25.22 ATOM 16 HT1 MET 1 20.753 -6.003 -13.686 1.00 36.35 ATOM 17 HT2 MET 1 20.765 -6.606 -12.105 1.00 36.35 ATOM 18 HT3 MET 1 19.395 -6.794 -13.079 1.00 36.35 ATOM 19 CA MET 1 20.952 -8.058 -13.573 1.00 64.23 ATOM 20 N GLY 2 19.985 -10.283 -13.518 1.00 1.23 ATOM 21 HN GLY 2 20.109 -10.282 -14.494 1.00 36.35 ATOM 22 CA GLY 2 19.401 -11.448 -12.880 1.00 61.31 ATOM 23 HA1 GLY 2 19.558 -11.419 -11.809 1.00 36.35 ATOM 24 HA2 GLY 2 19.891 -12.328 -13.270 1.00 34.34 ATOM 25 C GLY 2 17.915 -11.573 -13.150 1.00 13.12 ATOM 26 O GLY 2 17.299 -10.664 -13.707 1.00 50.50 ATOM 27 N HIS 3 17.336 -12.703 -12.755 1.00 51.35 ATOM 28 HN HIS 3 17.875 -13.393 -12.300 1.00 36.35 ATOM 29 CA HIS 3 15.912 -12.944 -12.959 1.00 52.30 ATOM 30 HA HIS 3 15.539 -12.250 -13.708 1.00 33.44 ATOM 31 CB HIS 3 15.681 -14.371 -13.457 1.00 15.30 ATOM 32 HB1 HIS 3 14.658 -14.669 -13.254 1.00 36.35 ATOM 33 HB2 HIS 3 16.350 -15.043 -12.940 1.00 74.10 ATOM 34 CG HIS 3 15.913 -14.537 -14.927 1.00 53.02 ATOM 35 ND1 HIS 3 16.834 -13.792 -15.633 1.00 23.44 ATOM 36 HD1 HIS 3 17.417 -13.105 -15.268 1.00 73.20 ATOM 37 CD2 HIS 3 15.338 -15.370 -15.826 1.00 32.54 ATOM 38 HD2 HIS 3 14.567 -16.100 -15.622 1.00 11.50 ATOM 39 CE1 HIS 3 16.815 -14.159 -16.901 1.00 61.35 ATOM 40 HE1 HIS 3 17.431 -13.748 -17.687 1.00 71.20 ATOM 41 NE2 HIS 3 15.916 -15.116 -17.045 1.00 13.00 ATOM 42 HE2 HIS 3 15.769 -15.634 -17.864 1.00 36.35 ATOM 43 C HIS 3 15.131 -12.710 -11.669 1.00 44.30 ATOM 44 O HIS 3 15.673 -12.841 -10.571 1.00 44.50 ATOM 45 N HIS 4 13.856 -12.362 -11.809 1.00 60.13 ATOM 46 HN HIS 4 13.480 -12.259 -12.716 1.00 36.35 ATOM 47 CA HIS 4 13.001 -12.110 -10.655 1.00 1.52 ATOM 48 HA HIS 4 13.266 -12.829 -9.883 1.00 2.42 ATOM 49 CB HIS 4 13.233 -10.695 -10.122 1.00 33.43 ATOM 50 HB1 HIS 4 12.593 -9.991 -10.639 1.00 36.35 ATOM 51 HB2 HIS 4 14.264 -10.417 -10.294 1.00 52.02 ATOM 52 CG HIS 4 12.979 -10.560 -8.652 1.00 33.31 ATOM 53 ND1 HIS 4 11.983 -9.761 -8.131 1.00 20.34 ATOM 54 HD1 HIS 4 11.357 -9.214 -8.650 1.00 31.14 ATOM 55 CD2 HIS 4 13.597 -11.130 -7.591 1.00 15.43 ATOM 56 HD2 HIS 4 14.428 -11.820 -7.628 1.00 54.03 ATOM 57 CE1 HIS 4 12.001 -9.844 -6.812 1.00 54.32 ATOM 58 HE1 HIS 4 11.335 -9.327 -6.137 1.00 45.04 ATOM 59 NE2 HIS 4 12.970 -10.668 -6.459 1.00 63.01 ATOM 60 HE2 HIS 4 13.142 -10.979 -5.546 1.00 36.35 ATOM 61 C HIS 4 11.531 -12.295 -11.017 1.00 14.11 ATOM 62 O HIS 4 10.993 -11.577 -11.860 1.00 51.44 ATOM 63 N HIS 5 10.885 -13.263 -10.374 1.00 64.44 ATOM 64 HN HIS 5 11.362 -13.798 -9.695 1.00 36.35 ATOM 65 CA HIS 5 9.477 -13.543 -10.629 1.00 73.31 ATOM 66 HA HIS 5 9.257 -13.313 -11.665 1.00 74.20 ATOM 67 CB HIS 5 9.175 -15.021 -10.376 1.00 14.40 ATOM 68 HB1 HIS 5 8.109 -15.173 -10.387 1.00 36.35 ATOM 69 HB2 HIS 5 9.565 -15.304 -9.410 1.00 61.01 ATOM 70 CG HIS 5 9.763 -15.937 -11.404 1.00 61.01 ATOM 71 ND1 HIS 5 9.779 -15.645 -12.752 1.00 34.33 ATOM 72 HD1 HIS 5 9.414 -14.838 -13.169 1.00 15.32 ATOM 73 CD2 HIS 5 10.361 -17.145 -11.275 1.00 51.42 ATOM 74 HD2 HIS 5 10.524 -17.684 -10.352 1.00 50.11 ATOM 75 CE1 HIS 5 10.359 -16.634 -13.407 1.00 72.54 ATOM 76 HE1 HIS 5 10.512 -16.680 -14.475 1.00 43.43 ATOM 77 NE2 HIS 5 10.722 -17.557 -12.534 1.00 52.34 ATOM 78 HE2 HIS 5 11.087 -18.437 -12.762 1.00 36.35 ATOM 79 C HIS 5 8.583 -12.672 -9.753 1.00 15.53 ATOM 80 O HIS 5 7.832 -13.177 -8.917 1.00 42.11 ATOM 81 N HIS 6 8.668 -11.360 -9.948 1.00 41.54 ATOM 82 HN HIS 6 9.283 -11.021 -10.633 1.00 36.35 ATOM 83 CA HIS 6 7.867 -10.417 -9.175 1.00 74.45 ATOM 84 HA HIS 6 8.080 -10.574 -8.126 1.00 14.30 ATOM 85 CB HIS 6 8.237 -8.980 -9.542 1.00 11.23 ATOM 86 HB1 HIS 6 9.232 -8.773 -9.175 1.00 36.35 ATOM 87 HB2 HIS 6 7.543 -8.292 -9.077 1.00 13.15 ATOM 88 CG HIS 6 8.232 -8.717 -11.016 1.00 73.11 ATOM 89 ND1 HIS 6 9.380 -8.688 -11.780 1.00 33.45 ATOM 90 HD1 HIS 6 10.291 -8.831 -11.450 1.00 14.35 ATOM 91 CD2 HIS 6 7.209 -8.472 -11.868 1.00 51.11 ATOM 92 HD2 HIS 6 6.160 -8.421 -11.612 1.00 74.22 ATOM 93 CE1 HIS 6 9.063 -8.435 -13.037 1.00 24.21 ATOM 94 HE1 HIS 6 9.758 -8.354 -13.860 1.00 60.14 ATOM 95 NE2 HIS 6 7.752 -8.300 -13.118 1.00 20.04 ATOM 96 HE2 HIS 6 7.244 -8.205 -13.951 1.00 36.35 ATOM 97 C HIS 6 6.377 -10.648 -9.413 1.00 43.04 ATOM 98 O HIS 6 5.556 -10.442 -8.519 1.00 61.31 ATOM 99 N HIS 7 6.036 -11.075 -10.625 1.00 33.51 ATOM 100 HN HIS 7 6.731 -11.202 -11.312 1.00 36.35 ATOM 101 CA HIS 7 4.645 -11.334 -10.980 1.00 51.24 ATOM 102 HA HIS 7 4.120 -10.395 -10.903 1.00 33.55 ATOM 103 CB HIS 7 4.552 -11.860 -12.413 1.00 31.21 ATOM 104 HB1 HIS 7 4.846 -12.900 -12.452 1.00 36.35 ATOM 105 HB2 HIS 7 5.222 -11.287 -13.038 1.00 11.10 ATOM 106 CG HIS 7 3.182 -11.743 -13.006 1.00 52.34 ATOM 107 ND1 HIS 7 2.234 -10.855 -12.543 1.00 3.43 ATOM 108 HD1 HIS 7 2.344 -10.220 -11.809 1.00 72.01 ATOM 109 CD2 HIS 7 2.602 -12.407 -14.034 1.00 0.35 ATOM 110 HD2 HIS 7 3.058 -13.181 -14.635 1.00 73.51 ATOM 111 CE1 HIS 7 1.131 -10.979 -13.258 1.00 15.42 ATOM 112 HE1 HIS 7 0.222 -10.411 -13.121 1.00 74.13 ATOM 113 NE2 HIS 7 1.328 -11.914 -14.170 1.00 14.34 ATOM 114 HE2 HIS 7 0.641 -12.271 -14.771 1.00 36.35 ATOM 115 C HIS 7 4.014 -12.334 -10.016 1.00 65.23 ATOM 116 O HIS 7 3.046 -12.019 -9.324 1.00 31.20 ATOM 117 N HIS 8 4.570 -13.541 -9.977 1.00 33.41 ATOM 118 HN HIS 8 5.345 -13.741 -10.552 1.00 36.35 ATOM 119 CA HIS 8 4.061 -14.588 -9.098 1.00 25.34 ATOM 120 HA HIS 8 3.494 -14.128 -8.296 1.00 14.22 ATOM 121 CB HIS 8 3.135 -15.527 -9.870 1.00 73.34 ATOM 122 HB1 HIS 8 2.231 -14.992 -10.123 1.00 36.35 ATOM 123 HB2 HIS 8 2.877 -16.377 -9.252 1.00 54.33 ATOM 124 CG HIS 8 3.732 -16.045 -11.143 1.00 11.23 ATOM 125 ND1 HIS 8 3.255 -15.704 -12.391 1.00 21.10 ATOM 126 HD1 HIS 8 2.499 -15.107 -12.572 1.00 31.24 ATOM 127 CD2 HIS 8 4.774 -16.882 -11.355 1.00 43.43 ATOM 128 HD2 HIS 8 5.376 -17.362 -10.598 1.00 51.22 ATOM 129 CE1 HIS 8 3.977 -16.310 -13.316 1.00 63.42 ATOM 130 HE1 HIS 8 3.833 -16.229 -14.383 1.00 53.33 ATOM 131 NE2 HIS 8 4.906 -17.031 -12.714 1.00 3.20 ATOM 132 HE2 HIS 8 5.635 -17.504 -13.167 1.00 36.35 ATOM 133 C HIS 8 5.208 -15.382 -8.479 1.00 1.15 ATOM 134 O HIS 8 6.223 -15.633 -9.128 1.00 23.43 ATOM 135 N SER 9 5.039 -15.773 -7.219 1.00 51.24 ATOM 136 HN SER 9 4.209 -15.534 -6.744 1.00 36.35 ATOM 137 CA SER 9 6.061 -16.534 -6.511 1.00 45.22 ATOM 138 HA SER 9 6.990 -16.491 -7.067 1.00 30.42 ATOM 139 CB SER 9 6.307 -15.932 -5.126 1.00 62.32 ATOM 140 HB1 SER 9 7.117 -16.460 -4.643 1.00 36.35 ATOM 141 HB2 SER 9 5.411 -16.022 -4.527 1.00 71.20 ATOM 142 OG SER 9 6.653 -14.561 -5.220 1.00 21.24 ATOM 143 HG SER 9 5.858 -14.034 -5.338 1.00 15.55 ATOM 144 C SER 9 5.654 -17.998 -6.377 1.00 51.13 ATOM 145 O SER 9 6.502 -18.890 -6.343 1.00 42.14 ATOM 146 N HIS 10 4.349 -18.238 -6.301 1.00 54.34 ATOM 147 HN HIS 10 3.711 -17.492 -6.310 1.00 36.35 ATOM 148 CA HIS 10 3.827 -19.594 -6.172 1.00 13.53 ATOM 149 HA HIS 10 4.292 -20.044 -5.304 1.00 25.04 ATOM 150 CB HIS 10 2.310 -19.563 -5.980 1.00 41.32 ATOM 151 HB1 HIS 10 1.884 -20.518 -6.266 1.00 36.35 ATOM 152 HB2 HIS 10 1.886 -18.789 -6.603 1.00 70.54 ATOM 153 CG HIS 10 1.890 -19.294 -4.568 1.00 20.52 ATOM 154 ND1 HIS 10 0.677 -18.728 -4.238 1.00 73.21 ATOM 155 HD1 HIS 10 -0.016 -18.449 -4.873 1.00 64.04 ATOM 156 CD2 HIS 10 2.529 -19.520 -3.396 1.00 41.12 ATOM 157 HD2 HIS 10 3.508 -19.960 -3.273 1.00 22.30 ATOM 158 CE1 HIS 10 0.588 -18.615 -2.925 1.00 24.31 ATOM 159 HE1 HIS 10 -0.251 -18.206 -2.381 1.00 73.13 ATOM 160 NE2 HIS 10 1.699 -19.089 -2.390 1.00 64.13 ATOM 161 HE2 HIS 10 1.935 -19.039 -1.440 1.00 36.35 ATOM 162 C HIS 10 4.180 -20.431 -7.397 1.00 73.11 ATOM 163 O HIS 10 3.947 -20.016 -8.532 1.00 61.21 ATOM 164 N MET 11 4.743 -21.611 -7.159 1.00 71.11 ATOM 165 HN MET 11 4.914 -21.895 -6.232 1.00 36.35 ATOM 166 CA MET 11 5.127 -22.507 -8.244 1.00 4.41 ATOM 167 HA MET 11 4.771 -22.086 -9.177 1.00 52.45 ATOM 168 CB MET 11 6.650 -22.646 -8.304 1.00 12.42 ATOM 169 HB1 MET 11 6.908 -23.640 -8.640 1.00 36.35 ATOM 170 HB2 MET 11 7.049 -22.508 -7.306 1.00 13.32 ATOM 171 CG MET 11 7.315 -21.645 -9.235 1.00 62.42 ATOM 172 HG1 MET 11 6.929 -20.656 -9.024 1.00 36.35 ATOM 173 HG2 MET 11 7.079 -21.911 -10.254 1.00 72.30 ATOM 174 SD MET 11 9.108 -21.610 -9.050 1.00 3.02 ATOM 175 CE MET 11 9.488 -23.360 -9.097 1.00 42.32 ATOM 176 HE1 MET 11 10.558 -23.493 -9.159 1.00 20.23 ATOM 177 HE2 MET 11 9.020 -23.805 -9.962 1.00 74.31 ATOM 178 HE3 MET 11 9.119 -23.836 -8.201 1.00 33.13 ATOM 179 C MET 11 4.486 -23.880 -8.069 1.00 3.45 ATOM 180 O MET 11 4.052 -24.254 -6.979 1.00 4.01 ATOM 181 N PRO 12 4.424 -24.649 -9.165 1.00 71.14 ATOM 182 CA PRO 12 3.837 -25.993 -9.157 1.00 44.45 ATOM 183 HA PRO 12 2.836 -25.987 -8.751 1.00 23.12 ATOM 184 CB PRO 12 3.787 -26.366 -10.641 1.00 31.30 ATOM 185 HB1 PRO 12 2.825 -26.090 -11.039 1.00 36.35 ATOM 186 HB2 PRO 12 3.943 -27.427 -10.790 1.00 63.45 ATOM 187 CG PRO 12 4.864 -25.554 -11.273 1.00 60.11 ATOM 188 HG1 PRO 12 4.616 -25.357 -12.305 1.00 36.35 ATOM 189 HG2 PRO 12 5.806 -26.072 -11.208 1.00 22.12 ATOM 190 CD PRO 12 4.921 -24.267 -10.498 1.00 24.14 ATOM 191 HD1 PRO 12 4.278 -23.526 -10.952 1.00 36.35 ATOM 192 HD2 PRO 12 5.933 -23.914 -10.464 1.00 15.32 ATOM 193 C PRO 12 4.690 -26.993 -8.385 1.00 5.11 ATOM 194 O PRO 12 5.417 -27.791 -8.977 1.00 31.41 ATOM 195 N ASP 13 4.597 -26.944 -7.061 1.00 22.33 ATOM 196 HN ASP 13 3.997 -26.288 -6.636 1.00 36.35 ATOM 197 CA ASP 13 5.360 -27.848 -6.207 1.00 14.22 ATOM 198 HA ASP 13 6.001 -28.464 -6.810 1.00 21.14 ATOM 199 CB ASP 13 6.223 -27.051 -5.227 1.00 71.23 ATOM 200 HB1 ASP 13 6.624 -26.181 -5.722 1.00 36.35 ATOM 201 HB2 ASP 13 7.032 -27.666 -4.891 1.00 43.14 ATOM 202 CG ASP 13 5.441 -26.581 -4.017 1.00 11.42 ATOM 203 OD1 ASP 13 5.700 -27.092 -2.907 1.00 41.00 ATOM 204 OD2 ASP 13 4.570 -25.700 -4.179 1.00 23.41 ATOM 205 C ASP 13 4.431 -28.784 -5.440 1.00 72.22 ATOM 206 O ASP 13 4.777 -29.276 -4.366 1.00 32.15 ATOM 207 N HIS 14 3.249 -29.026 -5.999 1.00 42.22 ATOM 208 HN HIS 14 3.031 -28.638 -6.877 1.00 36.35 ATOM 209 CA HIS 14 2.270 -29.903 -5.368 1.00 32.02 ATOM 210 HA HIS 14 2.363 -29.807 -4.290 1.00 63.45 ATOM 211 CB HIS 14 0.854 -29.504 -5.783 1.00 54.15 ATOM 212 HB1 HIS 14 0.200 -30.368 -5.743 1.00 36.35 ATOM 213 HB2 HIS 14 0.868 -29.125 -6.795 1.00 34.13 ATOM 214 CG HIS 14 0.248 -28.448 -4.911 1.00 23.04 ATOM 215 ND1 HIS 14 0.361 -27.099 -5.173 1.00 0.00 ATOM 216 HD1 HIS 14 0.835 -26.701 -5.933 1.00 30.55 ATOM 217 CD2 HIS 14 -0.480 -28.549 -3.774 1.00 74.25 ATOM 218 HD2 HIS 14 -0.764 -29.465 -3.274 1.00 74.21 ATOM 219 CE1 HIS 14 -0.271 -26.416 -4.235 1.00 64.00 ATOM 220 HE1 HIS 14 -0.351 -25.340 -4.182 1.00 4.44 ATOM 221 NE2 HIS 14 -0.790 -27.273 -3.374 1.00 54.35 ATOM 222 HE2 HIS 14 -1.230 -27.031 -2.532 1.00 36.35 ATOM 223 C HIS 14 2.529 -31.361 -5.736 1.00 50.20 ATOM 224 O HIS 14 2.797 -32.192 -4.870 1.00 33.14 ATOM 225 N GLY 15 2.447 -31.664 -7.028 1.00 54.31 ATOM 226 HN GLY 15 2.243 -30.957 -7.685 1.00 36.35 ATOM 227 CA GLY 15 2.674 -33.021 -7.488 1.00 31.32 ATOM 228 HA1 GLY 15 2.545 -33.723 -6.671 1.00 36.35 ATOM 229 HA2 GLY 15 3.688 -33.090 -7.849 1.00 31.34 ATOM 230 C GLY 15 1.748 -33.412 -8.622 1.00 74.03 ATOM 231 O GLY 15 1.477 -32.610 -9.516 1.00 40.21 ATOM 232 N ASP 16 1.262 -34.648 -8.588 1.00 53.10 ATOM 233 HN ASP 16 1.504 -35.240 -7.835 1.00 36.35 ATOM 234 CA ASP 16 0.361 -35.144 -9.622 1.00 33.11 ATOM 235 HA ASP 16 0.811 -34.938 -10.587 1.00 70.43 ATOM 236 CB ASP 16 0.182 -36.657 -9.489 1.00 32.20 ATOM 237 HB1 ASP 16 -0.416 -37.018 -10.314 1.00 36.35 ATOM 238 HB2 ASP 16 -0.325 -36.878 -8.559 1.00 64.23 ATOM 239 CG ASP 16 1.504 -37.400 -9.498 1.00 14.42 ATOM 240 OD1 ASP 16 1.683 -38.301 -8.653 1.00 1.25 ATOM 241 OD2 ASP 16 2.359 -37.079 -10.350 1.00 10.34 ATOM 242 C ASP 16 -0.995 -34.450 -9.540 1.00 12.10 ATOM 243 O ASP 16 -1.816 -34.770 -8.681 1.00 34.23 ATOM 244 N TRP 17 -1.222 -33.498 -10.438 1.00 63.20 ATOM 245 HN TRP 17 -0.540 -33.321 -11.117 1.00 36.35 ATOM 246 CA TRP 17 -2.478 -32.758 -10.466 1.00 40.34 ATOM 247 HA TRP 17 -2.552 -32.190 -9.549 1.00 61.21 ATOM 248 CB TRP 17 -2.498 -31.792 -11.652 1.00 44.41 ATOM 249 HB1 TRP 17 -3.446 -31.268 -11.672 1.00 36.35 ATOM 250 HB2 TRP 17 -2.387 -32.354 -12.569 1.00 10.12 ATOM 251 CG TRP 17 -1.404 -30.768 -11.602 1.00 53.42 ATOM 252 CD1 TRP 17 -0.107 -30.934 -11.996 1.00 53.31 ATOM 253 HD1 TRP 17 0.295 -31.848 -12.405 1.00 44.21 ATOM 254 CD2 TRP 17 -1.513 -29.421 -11.130 1.00 1.54 ATOM 255 NE1 TRP 17 0.597 -29.771 -11.797 1.00 1.12 ATOM 256 HE1 TRP 17 1.546 -29.639 -12.002 1.00 15.34 ATOM 257 CE2 TRP 17 -0.243 -28.827 -11.267 1.00 63.20 ATOM 258 CE3 TRP 17 -2.560 -28.657 -10.606 1.00 24.13 ATOM 259 HE3 TRP 17 -3.549 -29.074 -10.484 1.00 34.21 ATOM 260 CZ2 TRP 17 0.006 -27.508 -10.898 1.00 42.00 ATOM 261 HZ2 TRP 17 0.978 -27.061 -11.006 1.00 25.54 ATOM 262 CZ3 TRP 17 -2.311 -27.348 -10.240 1.00 21.13 ATOM 263 HZ3 TRP 17 -3.108 -26.743 -9.833 1.00 55.24 ATOM 264 CH2 TRP 17 -1.037 -26.784 -10.388 1.00 2.21 ATOM 265 HH2 TRP 17 -0.888 -25.757 -10.088 1.00 12.23 ATOM 266 C TRP 17 -3.668 -33.707 -10.549 1.00 21.42 ATOM 267 O TRP 17 -4.767 -33.384 -10.097 1.00 3.43 ATOM 268 N THR 18 -3.443 -34.882 -11.129 1.00 20.43 ATOM 269 HN THR 18 -2.564 -35.081 -11.517 1.00 36.35 ATOM 270 CA THR 18 -4.497 -35.879 -11.271 1.00 10.21 ATOM 271 HA THR 18 -5.454 -35.373 -11.337 1.00 21.45 ATOM 272 CB THR 18 -4.318 -36.707 -12.557 1.00 45.13 ATOM 273 HB THR 18 -5.204 -37.301 -12.721 1.00 41.15 ATOM 274 OG1 THR 18 -3.188 -37.577 -12.426 1.00 70.20 ATOM 275 HG1 THR 18 -2.371 -37.075 -12.313 1.00 62.42 ATOM 276 CG2 THR 18 -4.127 -35.799 -13.763 1.00 72.10 ATOM 277 HG21 THR 18 -4.964 -35.119 -13.845 1.00 62.22 ATOM 278 HG22 THR 18 -4.069 -36.402 -14.657 1.00 61.40 ATOM 279 HG23 THR 18 -3.213 -35.235 -13.653 1.00 3.24 ATOM 280 C THR 18 -4.528 -36.822 -10.073 1.00 44.54 ATOM 281 O THR 18 -3.820 -36.612 -9.088 1.00 23.20 ATOM 282 N TYR 19 -5.351 -37.860 -10.165 1.00 2.11 ATOM 283 HN TYR 19 -5.858 -38.006 -10.984 1.00 36.35 ATOM 284 CA TYR 19 -5.475 -38.834 -9.087 1.00 64.55 ATOM 285 HA TYR 19 -4.935 -38.480 -8.217 1.00 55.31 ATOM 286 CB TYR 19 -6.943 -39.011 -8.697 1.00 51.31 ATOM 287 HB1 TYR 19 -7.258 -38.131 -8.150 1.00 36.35 ATOM 288 HB2 TYR 19 -7.052 -39.872 -8.045 1.00 74.43 ATOM 289 CG TYR 19 -7.868 -39.179 -9.881 1.00 54.50 ATOM 290 CD1 TYR 19 -8.213 -40.442 -10.345 1.00 14.12 ATOM 291 HD1 TYR 19 -7.821 -41.316 -9.849 1.00 2.44 ATOM 292 CD2 TYR 19 -8.399 -38.073 -10.535 1.00 64.34 ATOM 293 HD2 TYR 19 -8.143 -37.081 -10.189 1.00 32.52 ATOM 294 CE1 TYR 19 -9.058 -40.600 -11.427 1.00 2.24 ATOM 295 HE1 TYR 19 -9.314 -41.591 -11.772 1.00 22.34 ATOM 296 CE2 TYR 19 -9.245 -38.222 -11.617 1.00 40.41 ATOM 297 HE2 TYR 19 -9.647 -37.350 -12.112 1.00 71.40 ATOM 298 CZ TYR 19 -9.571 -39.487 -12.059 1.00 52.22 ATOM 299 OH TYR 19 -10.414 -39.640 -13.136 1.00 41.23 ATOM 300 HH TYR 19 -11.276 -39.945 -12.836 1.00 74.33 ATOM 301 C TYR 19 -4.881 -40.179 -9.498 1.00 11.32 ATOM 302 O TYR 19 -5.536 -41.215 -9.396 1.00 73.21 ATOM 303 N GLU 20 -3.635 -40.151 -9.961 1.00 74.44 ATOM 304 HN GLU 20 -3.153 -39.290 -10.005 1.00 36.35 ATOM 305 CA GLU 20 -2.953 -41.367 -10.387 1.00 62.54 ATOM 306 HA GLU 20 -3.693 -42.044 -10.803 1.00 73.15 ATOM 307 CB GLU 20 -1.912 -41.045 -11.462 1.00 32.01 ATOM 308 HB1 GLU 20 -0.962 -40.811 -10.997 1.00 36.35 ATOM 309 HB2 GLU 20 -2.248 -40.172 -12.010 1.00 71.13 ATOM 310 CG GLU 20 -1.690 -42.175 -12.453 1.00 20.43 ATOM 311 HG1 GLU 20 -2.623 -42.698 -12.623 1.00 36.35 ATOM 312 HG2 GLU 20 -0.965 -42.860 -12.041 1.00 10.32 ATOM 313 CD GLU 20 -1.169 -41.685 -13.790 1.00 24.34 ATOM 314 OE1 GLU 20 0.047 -41.824 -14.038 1.00 64.44 ATOM 315 OE2 GLU 20 -1.975 -41.163 -14.586 1.00 55.24 ATOM 316 C GLU 20 -2.281 -42.057 -9.204 1.00 23.32 ATOM 317 O GLU 20 -2.243 -41.518 -8.098 1.00 74.42 ATOM 318 N GLU 21 -1.752 -43.253 -9.445 1.00 41.23 ATOM 319 HN GLU 21 -1.842 -43.654 -10.334 1.00 36.35 ATOM 320 CA GLU 21 -1.083 -44.017 -8.399 1.00 44.11 ATOM 321 HA GLU 21 -1.637 -43.902 -7.479 1.00 62.32 ATOM 322 CB GLU 21 -1.039 -45.501 -8.769 1.00 41.11 ATOM 323 HB1 GLU 21 -0.484 -46.050 -8.021 1.00 36.35 ATOM 324 HB2 GLU 21 -0.536 -45.605 -9.719 1.00 31.30 ATOM 325 CG GLU 21 -2.413 -46.137 -8.897 1.00 22.12 ATOM 326 HG1 GLU 21 -2.297 -47.128 -9.311 1.00 36.35 ATOM 327 HG2 GLU 21 -3.017 -45.540 -9.565 1.00 43.43 ATOM 328 CD GLU 21 -3.130 -46.249 -7.565 1.00 40.24 ATOM 329 OE1 GLU 21 -3.291 -47.384 -7.071 1.00 5.13 ATOM 330 OE2 GLU 21 -3.531 -45.200 -7.018 1.00 45.12 ATOM 331 C GLU 21 0.333 -43.497 -8.167 1.00 63.31 ATOM 332 O GLU 21 0.768 -42.543 -8.811 1.00 51.02 ATOM 333 N GLN 22 1.046 -44.132 -7.243 1.00 23.54 ATOM 334 HN GLN 22 0.639 -44.874 -6.739 1.00 36.35 ATOM 335 CA GLN 22 2.412 -43.734 -6.925 1.00 3.34 ATOM 336 HA GLN 22 2.400 -42.693 -6.631 1.00 71.32 ATOM 337 CB GLN 22 2.951 -44.566 -5.760 1.00 21.31 ATOM 338 HB1 GLN 22 2.220 -44.563 -4.964 1.00 36.35 ATOM 339 HB2 GLN 22 3.849 -44.106 -5.404 1.00 42.43 ATOM 340 CG GLN 22 3.244 -46.011 -6.129 1.00 61.44 ATOM 341 HG1 GLN 22 3.878 -46.049 -7.000 1.00 36.35 ATOM 342 HG2 GLN 22 2.312 -46.508 -6.346 1.00 31.01 ATOM 343 CD GLN 22 3.942 -46.768 -5.017 1.00 23.22 ATOM 344 OE1 GLN 22 3.524 -47.862 -4.637 1.00 60.30 ATOM 345 NE2 GLN 22 5.013 -46.188 -4.487 1.00 62.43 ATOM 346 HE21 GLN 22 5.321 -45.323 -4.829 1.00 72.34 ATOM 347 HE22 GLN 22 5.457 -46.651 -3.747 1.00 41.21 ATOM 348 C GLN 22 3.321 -43.889 -8.139 1.00 44.13 ATOM 349 O GLN 22 2.851 -44.115 -9.255 1.00 4.14 ATOM 350 N PHE 23 4.626 -43.766 -7.916 1.00 14.43 ATOM 351 HN PHE 23 4.952 -43.574 -7.013 1.00 36.35 ATOM 352 CA PHE 23 5.601 -43.891 -8.992 1.00 40.24 ATOM 353 HA PHE 23 5.150 -44.421 -9.822 1.00 33.30 ATOM 354 CB PHE 23 6.038 -42.507 -9.477 1.00 1.33 ATOM 355 HB1 PHE 23 5.325 -42.166 -10.216 1.00 36.35 ATOM 356 HB2 PHE 23 7.016 -42.567 -9.941 1.00 4.32 ATOM 357 CG PHE 23 6.111 -41.483 -8.380 1.00 25.43 ATOM 358 CD1 PHE 23 6.805 -41.750 -7.210 1.00 62.35 ATOM 359 HD1 PHE 23 7.298 -42.682 -7.084 1.00 51.22 ATOM 360 CD2 PHE 23 5.486 -40.255 -8.518 1.00 1.34 ATOM 361 HD2 PHE 23 4.941 -40.031 -9.425 1.00 11.55 ATOM 362 CE1 PHE 23 6.875 -40.811 -6.199 1.00 40.41 ATOM 363 HE1 PHE 23 7.412 -41.037 -5.301 1.00 33.13 ATOM 364 CE2 PHE 23 5.553 -39.311 -7.510 1.00 72.10 ATOM 365 HE2 PHE 23 5.061 -38.357 -7.630 1.00 74.34 ATOM 366 CZ PHE 23 6.247 -39.590 -6.349 1.00 10.21 ATOM 367 HZ PHE 23 6.287 -38.857 -5.569 1.00 72.14 ATOM 368 C PHE 23 6.818 -44.689 -8.534 1.00 32.31 ATOM 369 O PHE 23 6.986 -44.958 -7.344 1.00 65.02 ATOM 370 N LYS 24 7.664 -45.067 -9.487 1.00 14.44 ATOM 371 HN LYS 24 7.479 -44.808 -10.422 1.00 36.35 ATOM 372 CA LYS 24 8.866 -45.834 -9.183 1.00 52.22 ATOM 373 HA LYS 24 8.573 -46.638 -8.521 1.00 10.41 ATOM 374 CB LYS 24 9.469 -46.404 -10.469 1.00 25.35 ATOM 375 HB1 LYS 24 10.429 -45.943 -10.668 1.00 36.35 ATOM 376 HB2 LYS 24 8.812 -46.192 -11.301 1.00 23.43 ATOM 377 CG LYS 24 9.678 -47.908 -10.427 1.00 72.33 ATOM 378 HG1 LYS 24 10.260 -48.193 -11.293 1.00 36.35 ATOM 379 HG2 LYS 24 8.713 -48.394 -10.464 1.00 72.21 ATOM 380 CD LYS 24 10.395 -48.337 -9.158 1.00 72.42 ATOM 381 HD1 LYS 24 9.652 -48.543 -8.406 1.00 36.35 ATOM 382 HD2 LYS 24 11.051 -47.563 -8.817 1.00 71.53 ATOM 383 CE LYS 24 11.218 -49.597 -9.382 1.00 2.52 ATOM 384 HE1 LYS 24 12.004 -49.625 -8.641 1.00 36.35 ATOM 385 HE2 LYS 24 11.664 -49.577 -10.368 1.00 14.23 ATOM 386 NZ LYS 24 10.394 -50.830 -9.245 1.00 44.51 ATOM 387 HZ1 LYS 24 9.983 -50.887 -8.290 1.00 21.33 ATOM 388 HZ2 LYS 24 10.985 -51.671 -9.403 1.00 72.25 ATOM 389 HZ3 LYS 24 9.622 -50.829 -9.944 1.00 22.33 ATOM 390 C LYS 24 9.897 -44.969 -8.465 1.00 54.43 ATOM 391 O LYS 24 10.883 -45.477 -7.934 1.00 5.43 ATOM 392 N GLN 25 9.660 -43.661 -8.453 1.00 54.11 ATOM 393 HN GLN 25 8.896 -43.295 -8.942 1.00 36.35 ATOM 394 CA GLN 25 10.568 -42.726 -7.799 1.00 70.43 ATOM 395 HA GLN 25 11.513 -42.787 -8.314 1.00 53.02 ATOM 396 CB GLN 25 10.010 -41.304 -7.874 1.00 5.23 ATOM 397 HB1 GLN 25 9.530 -41.039 -6.941 1.00 36.35 ATOM 398 HB2 GLN 25 9.273 -41.249 -8.663 1.00 2.01 ATOM 399 CG GLN 25 11.066 -40.251 -8.171 1.00 24.35 ATOM 400 HG1 GLN 25 11.743 -40.193 -7.330 1.00 36.35 ATOM 401 HG2 GLN 25 10.573 -39.298 -8.298 1.00 4.01 ATOM 402 CD GLN 25 11.854 -40.554 -9.430 1.00 24.13 ATOM 403 OE1 GLN 25 11.343 -40.424 -10.542 1.00 41.13 ATOM 404 NE2 GLN 25 13.107 -40.961 -9.261 1.00 2.20 ATOM 405 HE21 GLN 25 13.466 -41.048 -8.349 1.00 3.21 ATOM 406 HE22 GLN 25 13.632 -41.161 -10.064 1.00 61.34 ATOM 407 C GLN 25 10.798 -43.119 -6.344 1.00 25.42 ATOM 408 O GLN 25 11.935 -43.337 -5.921 1.00 12.52 ATOM 409 N LEU 26 9.714 -43.209 -5.582 1.00 2.23 ATOM 410 HN LEU 26 8.842 -43.023 -5.973 1.00 36.35 ATOM 411 CA LEU 26 9.798 -43.576 -4.172 1.00 52.32 ATOM 412 HA LEU 26 10.323 -42.791 -3.674 1.00 51.13 ATOM 413 CB LEU 26 8.396 -43.713 -3.577 1.00 34.24 ATOM 414 HB1 LEU 26 8.379 -44.572 -2.916 1.00 36.35 ATOM 415 HB2 LEU 26 7.697 -43.905 -4.382 1.00 3.32 ATOM 416 CG LEU 26 7.883 -42.512 -2.781 1.00 43.25 ATOM 417 HG LEU 26 7.830 -41.654 -3.427 1.00 63.11 ATOM 418 CD1 LEU 26 6.486 -42.782 -2.247 1.00 35.42 ATOM 419 HD11 LEU 26 6.542 -43.379 -1.345 1.00 24.11 ATOM 420 HD12 LEU 26 5.909 -43.321 -2.982 1.00 70.13 ATOM 421 HD13 LEU 26 5.999 -41.844 -2.024 1.00 23.40 ATOM 422 CD2 LEU 26 8.837 -42.180 -1.643 1.00 12.01 ATOM 423 HD21 LEU 26 8.309 -41.642 -0.874 1.00 54.25 ATOM 424 HD22 LEU 26 9.612 -41.550 -2.027 1.00 40.50 ATOM 425 HD23 LEU 26 9.265 -43.082 -1.223 1.00 2.34 ATOM 426 C LEU 26 10.569 -44.880 -3.994 1.00 13.32 ATOM 427 O LEU 26 11.218 -45.094 -2.970 1.00 1.32 ATOM 428 N TYR 27 10.494 -45.747 -4.997 1.00 41.12 ATOM 429 HN TYR 27 9.930 -45.550 -5.777 1.00 36.35 ATOM 430 CA TYR 27 11.185 -47.030 -4.951 1.00 74.32 ATOM 431 HA TYR 27 11.189 -47.386 -3.928 1.00 25.14 ATOM 432 CB TYR 27 10.465 -48.052 -5.833 1.00 33.45 ATOM 433 HB1 TYR 27 11.158 -48.823 -6.155 1.00 36.35 ATOM 434 HB2 TYR 27 10.088 -47.538 -6.698 1.00 33.21 ATOM 435 CG TYR 27 9.298 -48.728 -5.147 1.00 42.34 ATOM 436 CD1 TYR 27 9.485 -49.870 -4.379 1.00 33.00 ATOM 437 HD1 TYR 27 10.477 -50.270 -4.279 1.00 70.20 ATOM 438 CD2 TYR 27 8.009 -48.223 -5.268 1.00 4.40 ATOM 439 HD2 TYR 27 7.843 -47.334 -5.861 1.00 61.22 ATOM 440 CE1 TYR 27 8.422 -50.491 -3.752 1.00 53.40 ATOM 441 HE1 TYR 27 8.588 -51.378 -3.159 1.00 71.23 ATOM 442 CE2 TYR 27 6.941 -48.836 -4.643 1.00 55.33 ATOM 443 HE2 TYR 27 5.956 -48.448 -4.756 1.00 33.42 ATOM 444 CZ TYR 27 7.152 -49.970 -3.887 1.00 13.30 ATOM 445 OH TYR 27 6.090 -50.584 -3.263 1.00 23.12 ATOM 446 HH TYR 27 5.548 -51.041 -3.914 1.00 52.23 ATOM 447 C TYR 27 12.635 -46.885 -5.402 1.00 72.11 ATOM 448 O TYR 27 13.511 -47.627 -4.959 1.00 13.35 ATOM 449 N GLU 28 12.879 -45.923 -6.287 1.00 22.15 ATOM 450 HN GLU 28 12.147 -45.373 -6.628 1.00 36.35 ATOM 451 CA GLU 28 14.223 -45.680 -6.798 1.00 71.11 ATOM 452 HA GLU 28 14.840 -46.551 -6.609 1.00 32.41 ATOM 453 CB GLU 28 14.182 -45.441 -8.309 1.00 21.41 ATOM 454 HB1 GLU 28 15.182 -45.196 -8.650 1.00 36.35 ATOM 455 HB2 GLU 28 13.529 -44.602 -8.509 1.00 32.11 ATOM 456 CG GLU 28 13.673 -46.634 -9.100 1.00 73.41 ATOM 457 HG1 GLU 28 12.646 -46.449 -9.362 1.00 36.35 ATOM 458 HG2 GLU 28 13.735 -47.532 -8.499 1.00 71.21 ATOM 459 CD GLU 28 14.450 -46.859 -10.383 1.00 1.24 ATOM 460 OE1 GLU 28 14.668 -45.877 -11.123 1.00 11.20 ATOM 461 OE2 GLU 28 14.840 -48.015 -10.646 1.00 61.31 ATOM 462 C GLU 28 14.863 -44.483 -6.100 1.00 73.41 ATOM 463 O GLU 28 15.654 -43.752 -6.697 1.00 54.22 ATOM 464 N LEU 29 14.514 -44.290 -4.833 1.00 4.31 ATOM 465 HN LEU 29 13.909 -44.916 -4.388 1.00 36.35 ATOM 466 CA LEU 29 15.053 -43.182 -4.052 1.00 45.51 ATOM 467 HA LEU 29 14.995 -42.284 -4.651 1.00 42.31 ATOM 468 CB LEU 29 14.235 -42.987 -2.774 1.00 45.33 ATOM 469 HB1 LEU 29 14.801 -42.376 -2.078 1.00 36.35 ATOM 470 HB2 LEU 29 14.100 -43.958 -2.339 1.00 63.11 ATOM 471 CG LEU 29 12.855 -42.354 -2.951 1.00 74.23 ATOM 472 HG LEU 29 12.326 -42.910 -3.682 1.00 31.13 ATOM 473 CD1 LEU 29 12.074 -42.403 -1.647 1.00 2.51 ATOM 474 HD11 LEU 29 11.517 -41.492 -1.514 1.00 33.35 ATOM 475 HD12 LEU 29 12.747 -42.521 -0.807 1.00 21.25 ATOM 476 HD13 LEU 29 11.392 -43.230 -1.666 1.00 55.14 ATOM 477 CD2 LEU 29 12.984 -40.921 -3.445 1.00 11.42 ATOM 478 HD21 LEU 29 13.360 -40.924 -4.456 1.00 23.22 ATOM 479 HD22 LEU 29 13.669 -40.375 -2.812 1.00 74.22 ATOM 480 HD23 LEU 29 12.016 -40.436 -3.429 1.00 42.33 ATOM 481 C LEU 29 16.518 -43.425 -3.700 1.00 55.11 ATOM 482 O LEU 29 17.378 -42.585 -3.965 1.00 11.13 ATOM 483 N ASP 30 16.793 -44.580 -3.104 1.00 42.33 ATOM 484 HN ASP 30 16.061 -45.199 -2.888 1.00 36.35 ATOM 485 CA ASP 30 18.154 -44.936 -2.719 1.00 11.40 ATOM 486 HA ASP 30 18.827 -44.130 -2.984 1.00 41.01 ATOM 487 CB ASP 30 18.238 -45.153 -1.207 1.00 63.04 ATOM 488 HB1 ASP 30 17.887 -44.264 -0.704 1.00 36.35 ATOM 489 HB2 ASP 30 19.266 -45.336 -0.928 1.00 13.31 ATOM 490 CG ASP 30 17.399 -46.327 -0.744 1.00 32.05 ATOM 491 OD1 ASP 30 17.725 -46.910 0.312 1.00 12.21 ATOM 492 OD2 ASP 30 16.415 -46.663 -1.435 1.00 41.45 ATOM 493 C ASP 30 18.616 -46.191 -3.452 1.00 74.05 ATOM 494 O ASP 30 19.807 -46.377 -3.696 1.00 21.33 ATOM 495 N GLY 31 17.663 -47.051 -3.802 1.00 1.44 ATOM 496 HN GLY 31 16.728 -46.889 -3.571 1.00 36.35 ATOM 497 CA GLY 31 17.992 -48.278 -4.503 1.00 21.05 ATOM 498 HA1 GLY 31 18.767 -48.086 -5.235 1.00 36.35 ATOM 499 HA2 GLY 31 17.109 -48.625 -5.020 1.00 44.44 ATOM 500 C GLY 31 18.463 -49.372 -3.565 1.00 64.35 ATOM 501 O GLY 31 19.332 -50.170 -3.919 1.00 4.44 ATOM 502 N ASP 32 17.891 -49.410 -2.367 1.00 72.14 ATOM 503 HN ASP 32 17.178 -48.767 -2.144 1.00 36.35 ATOM 504 CA ASP 32 18.258 -50.414 -1.376 1.00 31.51 ATOM 505 HA ASP 32 19.298 -50.672 -1.541 1.00 72.24 ATOM 506 CB ASP 32 18.102 -49.849 0.036 1.00 12.45 ATOM 507 HB1 ASP 32 17.877 -50.651 0.730 1.00 36.35 ATOM 508 HB2 ASP 32 17.296 -49.145 0.053 1.00 71.33 ATOM 509 CG ASP 32 19.359 -49.158 0.526 1.00 44.44 ATOM 510 OD1 ASP 32 19.662 -49.260 1.733 1.00 13.22 ATOM 511 OD2 ASP 32 20.042 -48.515 -0.299 1.00 70.24 ATOM 512 C ASP 32 17.404 -51.669 -1.532 1.00 24.33 ATOM 513 O ASP 32 16.280 -51.627 -2.032 1.00 2.11 ATOM 514 N PRO 33 17.950 -52.814 -1.095 1.00 33.23 ATOM 515 CA PRO 33 17.256 -54.103 -1.176 1.00 13.14 ATOM 516 HA PRO 33 16.925 -54.313 -2.179 1.00 33.14 ATOM 517 CB PRO 33 18.336 -55.113 -0.781 1.00 0.12 ATOM 518 HB1 PRO 33 18.821 -55.482 -1.672 1.00 36.35 ATOM 519 HB2 PRO 33 17.907 -55.945 -0.235 1.00 4.41 ATOM 520 CG PRO 33 19.289 -54.338 0.063 1.00 71.25 ATOM 521 HG1 PRO 33 20.277 -54.767 -0.010 1.00 36.35 ATOM 522 HG2 PRO 33 18.954 -54.338 1.090 1.00 51.41 ATOM 523 CD PRO 33 19.285 -52.939 -0.488 1.00 4.24 ATOM 524 HD1 PRO 33 20.060 -52.824 -1.232 1.00 36.35 ATOM 525 HD2 PRO 33 19.419 -52.227 0.311 1.00 70.20 ATOM 526 C PRO 33 16.073 -54.186 -0.216 1.00 42.44 ATOM 527 O PRO 33 15.157 -54.985 -0.411 1.00 1.01 ATOM 528 N LYS 34 16.099 -53.354 0.820 1.00 75.42 ATOM 529 HN LYS 34 16.862 -52.746 0.948 1.00 36.35 ATOM 530 CA LYS 34 15.028 -53.332 1.809 1.00 11.54 ATOM 531 HA LYS 34 14.470 -54.257 1.748 1.00 21.32 ATOM 532 CB LYS 34 15.611 -53.217 3.220 1.00 43.35 ATOM 533 HB1 LYS 34 14.799 -53.125 3.930 1.00 36.35 ATOM 534 HB2 LYS 34 16.212 -52.317 3.266 1.00 73.44 ATOM 535 CG LYS 34 16.496 -54.388 3.609 1.00 45.12 ATOM 536 HG1 LYS 34 17.483 -54.013 3.821 1.00 36.35 ATOM 537 HG2 LYS 34 16.558 -55.087 2.782 1.00 31.01 ATOM 538 CD LYS 34 15.944 -55.127 4.816 1.00 24.12 ATOM 539 HD1 LYS 34 16.107 -56.185 4.668 1.00 36.35 ATOM 540 HD2 LYS 34 14.882 -54.947 4.925 1.00 3.13 ATOM 541 CE LYS 34 16.650 -54.709 6.097 1.00 45.53 ATOM 542 HE1 LYS 34 16.164 -55.193 6.932 1.00 36.35 ATOM 543 HE2 LYS 34 16.572 -53.637 6.212 1.00 62.13 ATOM 544 NZ LYS 34 18.089 -55.094 6.088 1.00 11.33 ATOM 545 HZ1 LYS 34 18.499 -54.939 7.031 1.00 24.41 ATOM 546 HZ2 LYS 34 18.616 -54.520 5.403 1.00 53.32 ATOM 547 HZ3 LYS 34 18.199 -56.101 5.841 1.00 44.34 ATOM 548 C LYS 34 14.070 -52.173 1.548 1.00 22.42 ATOM 549 O LYS 34 12.957 -52.146 2.072 1.00 35.42 ATOM 550 N ARG 35 14.510 -51.220 0.734 1.00 4.52 ATOM 551 HN ARG 35 15.412 -51.276 0.353 1.00 36.35 ATOM 552 CA ARG 35 13.692 -50.059 0.404 1.00 73.45 ATOM 553 HA ARG 35 13.555 -49.494 1.313 1.00 40.14 ATOM 554 CB ARG 35 14.401 -49.188 -0.635 1.00 15.54 ATOM 555 HB1 ARG 35 14.625 -49.780 -1.508 1.00 36.35 ATOM 556 HB2 ARG 35 15.321 -48.831 -0.209 1.00 5.35 ATOM 557 CG ARG 35 13.590 -47.977 -1.069 1.00 23.03 ATOM 558 HG1 ARG 35 12.759 -48.308 -1.674 1.00 36.35 ATOM 559 HG2 ARG 35 14.212 -47.324 -1.653 1.00 51.20 ATOM 560 CD ARG 35 13.051 -47.209 0.128 1.00 24.11 ATOM 561 HD1 ARG 35 12.333 -47.826 0.645 1.00 36.35 ATOM 562 HD2 ARG 35 12.541 -46.325 -0.225 1.00 1.34 ATOM 563 NE ARG 35 14.111 -46.838 1.062 1.00 12.04 ATOM 564 HE ARG 35 14.287 -47.443 1.806 1.00 34.22 ATOM 565 CZ ARG 35 14.865 -45.753 0.925 1.00 21.20 ATOM 566 NH1 ARG 35 14.677 -44.937 -0.103 1.00 3.02 ATOM 567 HH11 ARG 35 13.979 -45.119 -0.784 1.00 12.40 ATOM 568 HH12 ARG 35 15.248 -44.119 -0.198 1.00 71.13 ATOM 569 NH2 ARG 35 15.809 -45.483 1.817 1.00 4.12 ATOM 570 HH21 ARG 35 15.967 -46.098 2.583 1.00 13.24 ATOM 571 HH22 ARG 35 16.369 -44.657 1.723 1.00 54.42 ATOM 572 C ARG 35 12.327 -50.490 -0.125 1.00 74.10 ATOM 573 O ARG 35 11.297 -50.227 0.496 1.00 32.34 ATOM 574 N LYS 36 12.326 -51.153 -1.277 1.00 21.05 ATOM 575 HN LYS 36 13.173 -51.295 -1.744 1.00 36.35 ATOM 576 CA LYS 36 11.089 -51.621 -1.890 1.00 30.53 ATOM 577 HA LYS 36 10.513 -50.758 -2.146 1.00 12.54 ATOM 578 CB LYS 36 11.396 -52.429 -3.153 1.00 34.22 ATOM 579 HB1 LYS 36 12.135 -51.912 -3.739 1.00 36.35 ATOM 580 HB2 LYS 36 10.485 -52.491 -3.735 1.00 75.43 ATOM 581 CG LYS 36 11.855 -53.849 -2.870 1.00 73.23 ATOM 582 HG1 LYS 36 11.840 -54.400 -3.798 1.00 36.35 ATOM 583 HG2 LYS 36 11.188 -54.338 -2.182 1.00 15.45 ATOM 584 CD LYS 36 13.266 -53.878 -2.309 1.00 44.30 ATOM 585 HD1 LYS 36 13.529 -54.910 -2.138 1.00 36.35 ATOM 586 HD2 LYS 36 13.317 -53.346 -1.384 1.00 74.42 ATOM 587 CE LYS 36 14.268 -53.290 -3.291 1.00 4.33 ATOM 588 HE1 LYS 36 15.251 -53.508 -2.935 1.00 36.35 ATOM 589 HE2 LYS 36 14.141 -52.224 -3.352 1.00 64.14 ATOM 590 NZ LYS 36 14.125 -53.881 -4.650 1.00 44.31 ATOM 591 HZ1 LYS 36 14.017 -54.917 -4.596 1.00 1.05 ATOM 592 HZ2 LYS 36 14.972 -53.668 -5.215 1.00 71.53 ATOM 593 HZ3 LYS 36 13.298 -53.479 -5.135 1.00 62.24 ATOM 594 C LYS 36 10.285 -52.473 -0.912 1.00 4.22 ATOM 595 O LYS 36 9.058 -52.519 -0.980 1.00 33.13 ATOM 596 N GLU 37 10.987 -53.143 -0.003 1.00 33.11 ATOM 597 HN GLU 37 11.962 -53.090 0.001 1.00 36.35 ATOM 598 CA GLU 37 10.337 -53.992 0.989 1.00 52.21 ATOM 599 HA GLU 37 9.647 -54.648 0.471 1.00 53.44 ATOM 600 CB GLU 37 11.377 -54.829 1.737 1.00 52.52 ATOM 601 HB1 GLU 37 11.087 -54.917 2.779 1.00 36.35 ATOM 602 HB2 GLU 37 12.331 -54.336 1.693 1.00 25.51 ATOM 603 CG GLU 37 11.557 -56.226 1.168 1.00 32.13 ATOM 604 HG1 GLU 37 12.520 -56.276 0.680 1.00 36.35 ATOM 605 HG2 GLU 37 10.782 -56.437 0.443 1.00 44.12 ATOM 606 CD GLU 37 11.506 -57.301 2.236 1.00 21.43 ATOM 607 OE1 GLU 37 10.398 -57.595 2.732 1.00 41.43 ATOM 608 OE2 GLU 37 12.575 -57.850 2.576 1.00 5.22 ATOM 609 C GLU 37 9.534 -53.154 1.980 1.00 50.12 ATOM 610 O GLU 37 8.401 -53.493 2.321 1.00 13.25 ATOM 611 N PHE 38 10.130 -52.058 2.438 1.00 20.22 ATOM 612 HN PHE 38 11.042 -51.837 2.132 1.00 36.35 ATOM 613 CA PHE 38 9.472 -51.172 3.391 1.00 3.22 ATOM 614 HA PHE 38 9.106 -51.771 4.216 1.00 42.03 ATOM 615 CB PHE 38 10.467 -50.145 3.936 1.00 64.11 ATOM 616 HB1 PHE 38 10.919 -49.622 3.103 1.00 36.35 ATOM 617 HB2 PHE 38 11.244 -50.667 4.479 1.00 3.02 ATOM 618 CG PHE 38 9.842 -49.131 4.851 1.00 23.52 ATOM 619 CD1 PHE 38 9.255 -47.985 4.339 1.00 23.44 ATOM 620 HD1 PHE 38 9.247 -47.820 3.271 1.00 33.14 ATOM 621 CD2 PHE 38 9.841 -49.325 6.223 1.00 2.21 ATOM 622 HD2 PHE 38 10.296 -50.215 6.638 1.00 25.53 ATOM 623 CE1 PHE 38 8.680 -47.051 5.180 1.00 42.24 ATOM 624 HE1 PHE 38 8.226 -46.161 4.769 1.00 4.13 ATOM 625 CE2 PHE 38 9.267 -48.394 7.068 1.00 2.23 ATOM 626 HE2 PHE 38 9.280 -48.550 8.132 1.00 72.53 ATOM 627 CZ PHE 38 8.685 -47.256 6.545 1.00 10.25 ATOM 628 HZ PHE 38 8.233 -46.530 7.200 1.00 54.11 ATOM 629 C PHE 38 8.290 -50.457 2.743 1.00 44.13 ATOM 630 O PHE 38 7.205 -50.379 3.319 1.00 12.24 ATOM 631 N LEU 39 8.509 -49.936 1.541 1.00 44.15 ATOM 632 HN LEU 39 9.403 -50.023 1.131 1.00 36.35 ATOM 633 CA LEU 39 7.463 -49.226 0.812 1.00 24.22 ATOM 634 HA LEU 39 7.116 -48.413 1.427 1.00 25.24 ATOM 635 CB LEU 39 8.015 -48.674 -0.503 1.00 63.34 ATOM 636 HB1 LEU 39 7.183 -48.300 -1.091 1.00 36.35 ATOM 637 HB2 LEU 39 8.470 -49.493 -1.042 1.00 53.23 ATOM 638 CG LEU 39 9.046 -47.552 -0.380 1.00 45.04 ATOM 639 HG LEU 39 9.939 -47.943 0.087 1.00 23.55 ATOM 640 CD1 LEU 39 9.428 -47.025 -1.755 1.00 0.31 ATOM 641 HD11 LEU 39 10.166 -46.260 -1.633 1.00 51.02 ATOM 642 HD12 LEU 39 8.557 -46.618 -2.248 1.00 34.11 ATOM 643 HD13 LEU 39 9.836 -47.829 -2.348 1.00 33.02 ATOM 644 CD2 LEU 39 8.510 -46.428 0.494 1.00 72.11 ATOM 645 HD21 LEU 39 7.544 -46.106 0.129 1.00 3.31 ATOM 646 HD22 LEU 39 9.196 -45.590 0.471 1.00 72.53 ATOM 647 HD23 LEU 39 8.415 -46.771 1.512 1.00 53.02 ATOM 648 C LEU 39 6.276 -50.142 0.534 1.00 30.32 ATOM 649 O LEU 39 5.141 -49.832 0.897 1.00 3.13 ATOM 650 N ASP 40 6.545 -51.272 -0.110 1.00 25.52 ATOM 651 HN ASP 40 7.476 -51.464 -0.376 1.00 36.35 ATOM 652 CA ASP 40 5.500 -52.236 -0.434 1.00 31.13 ATOM 653 HA ASP 40 4.783 -51.742 -1.078 1.00 12.12 ATOM 654 CB ASP 40 6.094 -53.436 -1.174 1.00 54.50 ATOM 655 HB1 ASP 40 6.693 -54.026 -0.492 1.00 36.35 ATOM 656 HB2 ASP 40 6.724 -53.076 -1.974 1.00 62.44 ATOM 657 CG ASP 40 5.028 -54.328 -1.779 1.00 13.10 ATOM 658 OD1 ASP 40 4.805 -55.434 -1.243 1.00 65.24 ATOM 659 OD2 ASP 40 4.415 -53.920 -2.787 1.00 41.35 ATOM 660 C ASP 40 4.784 -52.705 0.829 1.00 74.42 ATOM 661 O ASP 40 3.556 -52.666 0.909 1.00 73.23 ATOM 662 N ASP 41 5.559 -53.150 1.812 1.00 54.21 ATOM 663 HN ASP 41 6.539 -53.160 1.687 1.00 36.35 ATOM 664 CA ASP 41 4.999 -53.627 3.071 1.00 75.11 ATOM 665 HA ASP 41 4.368 -54.480 2.855 1.00 11.10 ATOM 666 CB ASP 41 6.117 -54.056 4.022 1.00 44.35 ATOM 667 HB1 ASP 41 5.711 -54.187 5.018 1.00 36.35 ATOM 668 HB2 ASP 41 6.874 -53.292 4.055 1.00 72.31 ATOM 669 CG ASP 41 6.757 -55.367 3.609 1.00 41.20 ATOM 670 OD1 ASP 41 7.197 -56.120 4.503 1.00 33.10 ATOM 671 OD2 ASP 41 6.817 -55.640 2.392 1.00 5.11 ATOM 672 C ASP 41 4.141 -52.549 3.727 1.00 22.54 ATOM 673 O ASP 41 3.077 -52.837 4.277 1.00 1.02 ATOM 674 N LEU 42 4.612 -51.309 3.667 1.00 13.45 ATOM 675 HN LEU 42 5.476 -51.137 3.223 1.00 36.35 ATOM 676 CA LEU 42 3.889 -50.187 4.257 1.00 32.01 ATOM 677 HA LEU 42 3.682 -50.424 5.293 1.00 52.21 ATOM 678 CB LEU 42 4.744 -48.920 4.205 1.00 52.43 ATOM 679 HB1 LEU 42 5.124 -48.834 3.194 1.00 36.35 ATOM 680 HB2 LEU 42 5.593 -49.066 4.863 1.00 43.22 ATOM 681 CG LEU 42 4.035 -47.616 4.575 1.00 23.35 ATOM 682 HG LEU 42 2.977 -47.727 4.489 1.00 4.32 ATOM 683 CD1 LEU 42 4.324 -47.245 6.022 1.00 52.44 ATOM 684 HD11 LEU 42 3.698 -46.417 6.308 1.00 65.44 ATOM 685 HD12 LEU 42 5.364 -46.968 6.132 1.00 4.42 ATOM 686 HD13 LEU 42 4.109 -48.088 6.666 1.00 22.23 ATOM 687 CD2 LEU 42 4.459 -46.494 3.640 1.00 44.25 ATOM 688 HD21 LEU 42 4.216 -46.758 2.623 1.00 21.31 ATOM 689 HD22 LEU 42 5.525 -46.332 3.723 1.00 44.15 ATOM 690 HD23 LEU 42 3.937 -45.584 3.905 1.00 72.11 ATOM 691 C LEU 42 2.566 -49.952 3.535 1.00 11.13 ATOM 692 O LEU 42 1.513 -49.850 4.165 1.00 73.02 ATOM 693 N PHE 43 2.627 -49.869 2.210 1.00 3.34 ATOM 694 HN PHE 43 3.498 -49.983 1.761 1.00 36.35 ATOM 695 CA PHE 43 1.434 -49.647 1.402 1.00 11.02 ATOM 696 HA PHE 43 1.036 -48.673 1.655 1.00 40.40 ATOM 697 CB PHE 43 1.787 -49.681 -0.086 1.00 53.23 ATOM 698 HB1 PHE 43 0.902 -49.932 -0.663 1.00 36.35 ATOM 699 HB2 PHE 43 2.539 -50.440 -0.255 1.00 24.14 ATOM 700 CG PHE 43 2.329 -48.379 -0.604 1.00 31.05 ATOM 701 CD1 PHE 43 3.296 -47.686 0.106 1.00 44.42 ATOM 702 HD1 PHE 43 3.662 -48.065 1.033 1.00 31.30 ATOM 703 CD2 PHE 43 1.872 -47.849 -1.799 1.00 74.02 ATOM 704 HD2 PHE 43 1.117 -48.378 -2.364 1.00 11.31 ATOM 705 CE1 PHE 43 3.796 -46.487 -0.368 1.00 22.34 ATOM 706 HE1 PHE 43 4.549 -45.956 0.195 1.00 5.33 ATOM 707 CE2 PHE 43 2.368 -46.651 -2.278 1.00 21.21 ATOM 708 HE2 PHE 43 1.998 -46.247 -3.207 1.00 2.23 ATOM 709 CZ PHE 43 3.333 -45.970 -1.561 1.00 55.04 ATOM 710 HZ PHE 43 3.723 -45.034 -1.932 1.00 43.21 ATOM 711 C PHE 43 0.368 -50.695 1.708 1.00 72.14 ATOM 712 O PHE 43 -0.794 -50.364 1.942 1.00 54.12 ATOM 713 N SER 44 0.773 -51.961 1.702 1.00 35.15 ATOM 714 HN SER 44 1.720 -52.165 1.510 1.00 36.35 ATOM 715 CA SER 44 -0.148 -53.059 1.974 1.00 1.04 ATOM 716 HA SER 44 -1.010 -52.948 1.329 1.00 60.51 ATOM 717 CB SER 44 0.521 -54.401 1.670 1.00 50.35 ATOM 718 HB1 SER 44 1.144 -54.707 2.502 1.00 36.35 ATOM 719 HB2 SER 44 1.137 -54.301 0.786 1.00 73.54 ATOM 720 OG SER 44 -0.445 -55.409 1.427 1.00 50.45 ATOM 721 HG SER 44 -0.773 -55.333 0.527 1.00 23.43 ATOM 722 C SER 44 -0.615 -53.029 3.426 1.00 32.15 ATOM 723 O SER 44 -1.782 -53.289 3.721 1.00 71.13 ATOM 724 N PHE 45 0.305 -52.710 4.331 1.00 73.21 ATOM 725 HN PHE 45 1.230 -52.528 4.042 1.00 36.35 ATOM 726 CA PHE 45 -0.011 -52.647 5.753 1.00 13.12 ATOM 727 HA PHE 45 -0.285 -53.641 6.079 1.00 12.55 ATOM 728 CB PHE 45 1.211 -52.184 6.549 1.00 61.13 ATOM 729 HB1 PHE 45 1.664 -51.343 6.045 1.00 36.35 ATOM 730 HB2 PHE 45 1.930 -52.993 6.584 1.00 2.12 ATOM 731 CG PHE 45 0.890 -51.777 7.958 1.00 12.52 ATOM 732 CD1 PHE 45 0.837 -52.720 8.971 1.00 24.33 ATOM 733 HD1 PHE 45 1.030 -53.760 8.744 1.00 2.42 ATOM 734 CD2 PHE 45 0.641 -50.450 8.270 1.00 12.21 ATOM 735 HD2 PHE 45 0.677 -49.702 7.490 1.00 20.04 ATOM 736 CE1 PHE 45 0.541 -52.348 10.269 1.00 42.01 ATOM 737 HE1 PHE 45 0.502 -53.094 11.044 1.00 51.13 ATOM 738 CE2 PHE 45 0.344 -50.071 9.566 1.00 24.41 ATOM 739 HE2 PHE 45 0.151 -49.048 9.780 1.00 1.54 ATOM 740 CZ PHE 45 0.296 -51.022 10.567 1.00 53.20 ATOM 741 HZ PHE 45 0.064 -50.729 11.580 1.00 73.51 ATOM 742 C PHE 45 -1.185 -51.705 6.008 1.00 25.23 ATOM 743 O PHE 45 -2.214 -52.111 6.547 1.00 3.15 ATOM 744 N MET 46 -1.021 -50.446 5.617 1.00 5.31 ATOM 745 HN MET 46 -0.158 -50.184 5.223 1.00 36.35 ATOM 746 CA MET 46 -2.066 -49.446 5.803 1.00 41.04 ATOM 747 HA MET 46 -2.349 -49.445 6.845 1.00 12.22 ATOM 748 CB MET 46 -1.544 -48.056 5.433 1.00 24.31 ATOM 749 HB1 MET 46 -0.771 -47.800 6.144 1.00 36.35 ATOM 750 HB2 MET 46 -2.331 -47.340 5.518 1.00 10.31 ATOM 751 CG MET 46 -0.965 -47.978 4.030 1.00 43.02 ATOM 752 HG1 MET 46 -1.735 -47.669 3.349 1.00 36.35 ATOM 753 HG2 MET 46 -0.598 -48.931 3.726 1.00 1.13 ATOM 754 SD MET 46 0.402 -46.808 3.907 1.00 62.54 ATOM 755 CE MET 46 -0.465 -45.253 4.094 1.00 54.20 ATOM 756 HE1 MET 46 -1.495 -45.367 3.797 1.00 13.32 ATOM 757 HE2 MET 46 -0.005 -44.527 3.470 1.00 35.55 ATOM 758 HE3 MET 46 -0.422 -44.935 5.117 1.00 10.04 ATOM 759 C MET 46 -3.294 -49.781 4.962 1.00 44.35 ATOM 760 O MET 46 -4.422 -49.731 5.449 1.00 15.11 ATOM 761 N GLN 47 -3.065 -50.121 3.697 1.00 4.13 ATOM 762 HN GLN 47 -2.145 -50.192 3.369 1.00 36.35 ATOM 763 CA GLN 47 -4.153 -50.463 2.789 1.00 13.45 ATOM 764 HA GLN 47 -4.739 -49.576 2.622 1.00 35.43 ATOM 765 CB GLN 47 -3.596 -50.950 1.451 1.00 45.40 ATOM 766 HB1 GLN 47 -2.830 -51.687 1.645 1.00 36.35 ATOM 767 HB2 GLN 47 -3.150 -50.111 0.937 1.00 74.44 ATOM 768 CG GLN 47 -4.642 -51.588 0.552 1.00 61.11 ATOM 769 HG1 GLN 47 -5.561 -51.019 0.609 1.00 36.35 ATOM 770 HG2 GLN 47 -4.824 -52.596 0.892 1.00 14.50 ATOM 771 CD GLN 47 -4.206 -51.650 -0.899 1.00 23.24 ATOM 772 OE1 GLN 47 -3.067 -51.321 -1.231 1.00 24.11 ATOM 773 NE2 GLN 47 -5.112 -52.074 -1.772 1.00 3.11 ATOM 774 HE21 GLN 47 -6.007 -52.325 -1.450 1.00 63.12 ATOM 775 HE22 GLN 47 -4.849 -52.121 -2.715 1.00 71.10 ATOM 776 C GLN 47 -5.054 -51.532 3.398 1.00 71.31 ATOM 777 O GLN 47 -6.259 -51.560 3.148 1.00 72.44 ATOM 778 N LYS 48 -4.462 -52.412 4.198 1.00 22.22 ATOM 779 HN LYS 48 -3.489 -52.370 4.340 1.00 36.35 ATOM 780 CA LYS 48 -5.210 -53.484 4.844 1.00 62.40 ATOM 781 HA LYS 48 -5.915 -53.892 4.128 1.00 30.32 ATOM 782 CB LYS 48 -4.260 -54.597 5.293 1.00 35.52 ATOM 783 HB1 LYS 48 -4.783 -55.264 5.969 1.00 36.35 ATOM 784 HB2 LYS 48 -3.432 -54.146 5.822 1.00 33.53 ATOM 785 CG LYS 48 -3.716 -55.432 4.147 1.00 45.41 ATOM 786 HG1 LYS 48 -3.500 -54.797 3.300 1.00 36.35 ATOM 787 HG2 LYS 48 -4.470 -56.154 3.866 1.00 43.51 ATOM 788 CD LYS 48 -2.454 -56.177 4.550 1.00 52.11 ATOM 789 HD1 LYS 48 -2.675 -56.811 5.398 1.00 36.35 ATOM 790 HD2 LYS 48 -1.693 -55.462 4.825 1.00 55.24 ATOM 791 CE LYS 48 -1.933 -57.046 3.415 1.00 14.42 ATOM 792 HE1 LYS 48 -2.146 -56.576 2.467 1.00 36.35 ATOM 793 HE2 LYS 48 -2.438 -58.000 3.457 1.00 43.43 ATOM 794 NZ LYS 48 -0.467 -57.281 3.525 1.00 51.12 ATOM 795 HZ1 LYS 48 -0.250 -57.798 4.402 1.00 45.33 ATOM 796 HZ2 LYS 48 0.047 -56.377 3.533 1.00 12.11 ATOM 797 HZ3 LYS 48 -0.136 -57.844 2.715 1.00 51.02 ATOM 798 C LYS 48 -5.994 -52.956 6.041 1.00 23.32 ATOM 799 O LYS 48 -7.071 -53.460 6.361 1.00 43.23 ATOM 800 N ARG 49 -5.447 -51.939 6.698 1.00 10.25 ATOM 801 HN ARG 49 -4.575 -51.593 6.418 1.00 36.35 ATOM 802 CA ARG 49 -6.096 -51.343 7.860 1.00 2.31 ATOM 803 HA ARG 49 -6.494 -52.139 8.478 1.00 40.41 ATOM 804 CB ARG 49 -5.082 -50.547 8.685 1.00 72.32 ATOM 805 HB1 ARG 49 -4.079 -50.871 8.432 1.00 36.35 ATOM 806 HB2 ARG 49 -5.260 -50.754 9.730 1.00 31.22 ATOM 807 CG ARG 49 -5.175 -49.044 8.478 1.00 24.35 ATOM 808 HG1 ARG 49 -6.104 -48.681 8.896 1.00 36.35 ATOM 809 HG2 ARG 49 -5.142 -48.837 7.437 1.00 30.31 ATOM 810 CD ARG 49 -4.032 -48.316 9.168 1.00 3.02 ATOM 811 HD1 ARG 49 -4.238 -47.258 9.191 1.00 36.35 ATOM 812 HD2 ARG 49 -3.131 -48.484 8.599 1.00 50.41 ATOM 813 NE ARG 49 -3.815 -48.801 10.528 1.00 20.44 ATOM 814 HE ARG 49 -3.085 -49.443 10.666 1.00 4.14 ATOM 815 CZ ARG 49 -4.552 -48.428 11.568 1.00 12.43 ATOM 816 NH1 ARG 49 -5.549 -47.569 11.404 1.00 0.11 ATOM 817 HH11 ARG 49 -5.771 -47.189 10.510 1.00 0.04 ATOM 818 HH12 ARG 49 -6.096 -47.292 12.197 1.00 74.04 ATOM 819 NH2 ARG 49 -4.293 -48.914 12.776 1.00 53.54 ATOM 820 HH21 ARG 49 -3.541 -49.563 12.907 1.00 22.32 ATOM 821 HH22 ARG 49 -4.848 -48.633 13.562 1.00 14.44 ATOM 822 C ARG 49 -7.246 -50.435 7.434 1.00 3.42 ATOM 823 O ARG 49 -8.090 -50.063 8.248 1.00 54.44 ATOM 824 N GLY 50 -7.271 -50.081 6.153 1.00 45.13 ATOM 825 HN GLY 50 -6.576 -50.383 5.535 1.00 36.35 ATOM 826 CA GLY 50 -8.320 -49.219 5.641 1.00 10.12 ATOM 827 HA1 GLY 50 -9.126 -49.126 6.358 1.00 36.35 ATOM 828 HA2 GLY 50 -8.716 -49.667 4.742 1.00 55.54 ATOM 829 C GLY 50 -7.815 -47.832 5.297 1.00 2.21 ATOM 830 O GLY 50 -8.508 -46.838 5.516 1.00 40.32 ATOM 831 N THR 51 -6.602 -47.762 4.758 1.00 65.31 ATOM 832 HN THR 51 -6.092 -48.587 4.592 1.00 36.35 ATOM 833 CA THR 51 -6.003 -46.487 4.386 1.00 45.03 ATOM 834 HA THR 51 -6.751 -45.885 3.885 1.00 61.44 ATOM 835 CB THR 51 -5.533 -45.703 5.626 1.00 32.40 ATOM 836 HB THR 51 -6.402 -45.430 6.209 1.00 64.22 ATOM 837 OG1 THR 51 -4.848 -44.513 5.223 1.00 43.32 ATOM 838 HG1 THR 51 -4.898 -43.858 5.924 1.00 34.21 ATOM 839 CG2 THR 51 -4.615 -46.556 6.489 1.00 11.31 ATOM 840 HG21 THR 51 -4.431 -47.512 6.041 1.00 32.24 ATOM 841 HG22 THR 51 -5.093 -46.680 7.432 1.00 55.01 ATOM 842 HG23 THR 51 -3.675 -46.041 6.638 1.00 40.41 ATOM 843 C THR 51 -4.818 -46.689 3.448 1.00 43.21 ATOM 844 O THR 51 -3.660 -46.495 3.820 1.00 33.14 ATOM 845 N PRO 52 -5.110 -47.087 2.201 1.00 52.11 ATOM 846 CA PRO 52 -4.082 -47.322 1.183 1.00 25.44 ATOM 847 HA PRO 52 -3.325 -48.006 1.536 1.00 61.34 ATOM 848 CB PRO 52 -4.861 -47.965 0.033 1.00 23.44 ATOM 849 HB1 PRO 52 -4.815 -49.023 0.112 1.00 36.35 ATOM 850 HB2 PRO 52 -4.455 -47.662 -0.924 1.00 30.21 ATOM 851 CG PRO 52 -6.259 -47.481 0.206 1.00 40.02 ATOM 852 HG1 PRO 52 -6.951 -48.203 -0.201 1.00 36.35 ATOM 853 HG2 PRO 52 -6.380 -46.526 -0.284 1.00 52.02 ATOM 854 CD PRO 52 -6.468 -47.337 1.688 1.00 24.20 ATOM 855 HD1 PRO 52 -6.877 -48.247 2.102 1.00 36.35 ATOM 856 HD2 PRO 52 -7.122 -46.502 1.888 1.00 34.21 ATOM 857 C PRO 52 -3.418 -46.030 0.720 1.00 23.22 ATOM 858 O PRO 52 -3.798 -44.939 1.144 1.00 4.43 ATOM 859 N VAL 53 -2.424 -46.161 -0.153 1.00 51.41 ATOM 860 HN VAL 53 -2.165 -47.059 -0.467 1.00 36.35 ATOM 861 CA VAL 53 -1.708 -45.003 -0.675 1.00 53.33 ATOM 862 HA VAL 53 -1.919 -44.145 -0.040 1.00 33.25 ATOM 863 CB VAL 53 -0.185 -45.229 -0.656 1.00 61.23 ATOM 864 HB VAL 53 0.025 -46.068 -1.285 1.00 24.03 ATOM 865 CG1 VAL 53 0.543 -44.011 -1.204 1.00 1.14 ATOM 866 HG11 VAL 53 0.112 -43.107 -0.793 1.00 70.00 ATOM 867 HG12 VAL 53 0.457 -43.991 -2.280 1.00 4.43 ATOM 868 HG13 VAL 53 1.588 -44.051 -0.938 1.00 71.41 ATOM 869 CG2 VAL 53 0.287 -45.554 0.753 1.00 65.43 ATOM 870 HG21 VAL 53 -0.198 -46.456 1.091 1.00 51.50 ATOM 871 HG22 VAL 53 0.042 -44.746 1.411 1.00 61.13 ATOM 872 HG23 VAL 53 1.358 -45.706 0.753 1.00 50.24 ATOM 873 C VAL 53 -2.146 -44.683 -2.100 1.00 42.03 ATOM 874 O VAL 53 -2.125 -45.547 -2.975 1.00 70.34 ATOM 875 N ASN 54 -2.541 -43.434 -2.326 1.00 34.32 ATOM 876 HN ASN 54 -2.529 -42.775 -1.593 1.00 36.35 ATOM 877 CA ASN 54 -2.984 -43.000 -3.646 1.00 14.54 ATOM 878 HA ASN 54 -3.068 -43.861 -4.301 1.00 12.21 ATOM 879 CB ASN 54 -4.353 -42.323 -3.550 1.00 35.33 ATOM 880 HB1 ASN 54 -4.576 -41.815 -4.480 1.00 36.35 ATOM 881 HB2 ASN 54 -4.338 -41.602 -2.746 1.00 63.31 ATOM 882 CG ASN 54 -5.469 -43.313 -3.277 1.00 34.24 ATOM 883 OD1 ASN 54 -5.326 -44.511 -3.522 1.00 44.01 ATOM 884 ND2 ASN 54 -6.590 -42.816 -2.766 1.00 42.41 ATOM 885 HD21 ASN 54 -6.649 -41.850 -2.590 1.00 32.15 ATOM 886 HD22 ASN 54 -7.323 -43.440 -2.582 1.00 71.42 ATOM 887 C ASN 54 -1.974 -42.042 -4.270 1.00 53.22 ATOM 888 O ASN 54 -1.231 -42.413 -5.178 1.00 61.34 ATOM 889 N ARG 55 -1.953 -40.808 -3.777 1.00 34.14 ATOM 890 HN ARG 55 -2.531 -40.567 -3.019 1.00 36.35 ATOM 891 CA ARG 55 -1.035 -39.797 -4.286 1.00 54.34 ATOM 892 HA ARG 55 -0.631 -40.126 -5.236 1.00 13.11 ATOM 893 CB ARG 55 -1.773 -38.476 -4.514 1.00 10.13 ATOM 894 HB1 ARG 55 -1.130 -37.818 -5.082 1.00 36.35 ATOM 895 HB2 ARG 55 -1.989 -38.018 -3.555 1.00 54.31 ATOM 896 CG ARG 55 -3.086 -38.633 -5.264 1.00 3.33 ATOM 897 HG1 ARG 55 -3.763 -39.223 -4.662 1.00 36.35 ATOM 898 HG2 ARG 55 -2.899 -39.139 -6.200 1.00 32.11 ATOM 899 CD ARG 55 -3.725 -37.284 -5.556 1.00 21.13 ATOM 900 HD1 ARG 55 -3.349 -36.920 -6.501 1.00 36.35 ATOM 901 HD2 ARG 55 -3.453 -36.589 -4.769 1.00 41.53 ATOM 902 NE ARG 55 -5.181 -37.373 -5.627 1.00 0.51 ATOM 903 HE ARG 55 -5.584 -38.267 -5.727 1.00 65.22 ATOM 904 CZ ARG 55 -5.985 -36.317 -5.570 1.00 41.43 ATOM 905 NH1 ARG 55 -5.477 -35.099 -5.443 1.00 10.42 ATOM 906 HH11 ARG 55 -4.494 -34.944 -5.391 1.00 14.12 ATOM 907 HH12 ARG 55 -6.093 -34.310 -5.398 1.00 4.04 ATOM 908 NH2 ARG 55 -7.300 -36.478 -5.642 1.00 11.03 ATOM 909 HH21 ARG 55 -7.690 -37.396 -5.740 1.00 44.30 ATOM 910 HH22 ARG 55 -7.908 -35.683 -5.599 1.00 12.12 ATOM 911 C ARG 55 0.128 -39.583 -3.322 1.00 53.32 ATOM 912 O ARG 55 0.095 -40.048 -2.182 1.00 44.35 ATOM 913 N ILE 56 1.153 -38.877 -3.787 1.00 70.15 ATOM 914 HN ILE 56 1.132 -38.533 -4.710 1.00 36.35 ATOM 915 CA ILE 56 2.325 -38.601 -2.966 1.00 63.53 ATOM 916 HA ILE 56 2.130 -38.980 -1.974 1.00 11.21 ATOM 917 CB ILE 56 3.572 -39.328 -3.504 1.00 5.04 ATOM 918 HB ILE 56 3.790 -38.944 -4.493 1.00 41.22 ATOM 919 CG1 ILE 56 3.312 -40.833 -3.598 1.00 10.24 ATOM 920 HG11 ILE 56 2.383 -41.011 -4.122 1.00 36.35 ATOM 921 HG12 ILE 56 3.239 -41.252 -2.604 1.00 62.25 ATOM 922 CG2 ILE 56 4.774 -39.047 -2.613 1.00 74.40 ATOM 923 HG21 ILE 56 5.656 -39.480 -3.057 1.00 31.24 ATOM 924 HG22 ILE 56 4.620 -39.490 -1.642 1.00 4.35 ATOM 925 HG23 ILE 56 4.930 -37.985 -2.502 1.00 50.11 ATOM 926 CD1 ILE 56 4.392 -41.588 -4.340 1.00 4.23 ATOM 927 HD11 ILE 56 5.363 -41.245 -4.043 1.00 62.14 ATOM 928 HD12 ILE 56 4.269 -41.439 -5.402 1.00 14.54 ATOM 929 HD13 ILE 56 4.299 -42.634 -4.114 1.00 71.22 ATOM 930 C ILE 56 2.611 -37.105 -2.901 1.00 22.01 ATOM 931 O ILE 56 2.617 -36.404 -3.913 1.00 70.11 ATOM 932 N PRO 57 2.856 -36.602 -1.682 1.00 22.12 ATOM 933 CA PRO 57 3.150 -35.184 -1.455 1.00 21.11 ATOM 934 HA PRO 57 2.383 -34.551 -1.881 1.00 51.22 ATOM 935 CB PRO 57 3.128 -35.057 0.070 1.00 13.23 ATOM 936 HB1 PRO 57 2.147 -34.761 0.359 1.00 36.35 ATOM 937 HB2 PRO 57 3.847 -34.321 0.411 1.00 44.14 ATOM 938 CG PRO 57 3.453 -36.422 0.569 1.00 32.42 ATOM 939 HG1 PRO 57 3.006 -36.574 1.540 1.00 36.35 ATOM 940 HG2 PRO 57 4.524 -36.547 0.624 1.00 43.13 ATOM 941 CD PRO 57 2.866 -37.379 -0.431 1.00 74.31 ATOM 942 HD1 PRO 57 1.862 -37.654 -0.141 1.00 36.35 ATOM 943 HD2 PRO 57 3.484 -38.248 -0.501 1.00 55.43 ATOM 944 C PRO 57 4.514 -34.780 -2.003 1.00 44.12 ATOM 945 O PRO 57 5.464 -35.563 -1.968 1.00 43.33 ATOM 946 N ILE 58 4.604 -33.554 -2.508 1.00 64.23 ATOM 947 HN ILE 58 3.814 -32.967 -2.515 1.00 36.35 ATOM 948 CA ILE 58 5.853 -33.047 -3.062 1.00 45.32 ATOM 949 HA ILE 58 6.619 -33.811 -2.959 1.00 50.54 ATOM 950 CB ILE 58 5.715 -32.725 -4.562 1.00 15.42 ATOM 951 HB ILE 58 5.077 -31.863 -4.674 1.00 71.14 ATOM 952 CG1 ILE 58 5.092 -33.909 -5.304 1.00 52.45 ATOM 953 HG11 ILE 58 4.952 -33.631 -6.330 1.00 36.35 ATOM 954 HG12 ILE 58 4.139 -34.167 -4.873 1.00 52.33 ATOM 955 CG2 ILE 58 7.070 -32.373 -5.156 1.00 23.40 ATOM 956 HG21 ILE 58 7.768 -33.159 -4.967 1.00 25.52 ATOM 957 HG22 ILE 58 7.430 -31.457 -4.719 1.00 12.41 ATOM 958 HG23 ILE 58 6.972 -32.234 -6.225 1.00 21.51 ATOM 959 CD1 ILE 58 5.957 -35.149 -5.297 1.00 65.05 ATOM 960 HD11 ILE 58 6.916 -34.944 -5.744 1.00 60.41 ATOM 961 HD12 ILE 58 5.463 -35.925 -5.864 1.00 13.14 ATOM 962 HD13 ILE 58 6.090 -35.486 -4.288 1.00 72.14 ATOM 963 C ILE 58 6.313 -31.793 -2.325 1.00 34.31 ATOM 964 O ILE 58 5.627 -30.771 -2.331 1.00 31.42 ATOM 965 N MET 59 7.478 -31.879 -1.692 1.00 61.22 ATOM 966 HN MET 59 7.994 -32.719 -1.728 1.00 36.35 ATOM 967 CA MET 59 8.031 -30.750 -0.953 1.00 33.34 ATOM 968 HA MET 59 7.236 -30.033 -0.784 1.00 61.43 ATOM 969 CB MET 59 8.570 -31.215 0.402 1.00 72.13 ATOM 970 HB1 MET 59 9.523 -31.710 0.258 1.00 36.35 ATOM 971 HB2 MET 59 7.877 -31.930 0.829 1.00 35.02 ATOM 972 CG MET 59 8.771 -30.084 1.396 1.00 0.55 ATOM 973 HG1 MET 59 9.318 -29.285 0.914 1.00 36.35 ATOM 974 HG2 MET 59 9.346 -30.451 2.226 1.00 4.43 ATOM 975 SD MET 59 7.214 -29.421 2.019 1.00 30.24 ATOM 976 CE MET 59 7.142 -30.189 3.636 1.00 4.42 ATOM 977 HE1 MET 59 8.000 -29.886 4.217 1.00 34.34 ATOM 978 HE2 MET 59 7.144 -31.263 3.525 1.00 41.34 ATOM 979 HE3 MET 59 6.239 -29.882 4.141 1.00 14.22 ATOM 980 C MET 59 9.140 -30.070 -1.748 1.00 41.12 ATOM 981 O MET 59 10.053 -30.728 -2.246 1.00 71.20 ATOM 982 N ALA 60 9.054 -28.749 -1.864 1.00 4.32 ATOM 983 HN ALA 60 8.304 -28.267 -1.449 1.00 36.35 ATOM 984 CA ALA 60 10.052 -27.980 -2.597 1.00 50.34 ATOM 985 HA ALA 60 9.680 -26.971 -2.706 1.00 4.54 ATOM 986 CB ALA 60 11.355 -27.922 -1.814 1.00 30.31 ATOM 987 HB1 ALA 60 12.022 -27.210 -2.274 1.00 32.41 ATOM 988 HB2 ALA 60 11.821 -28.899 -1.798 1.00 30.34 ATOM 989 HB3 ALA 60 11.134 -27.618 -0.807 1.00 23.42 ATOM 990 C ALA 60 10.291 -28.571 -3.983 1.00 1.34 ATOM 991 O ALA 60 11.425 -28.622 -4.460 1.00 72.40 ATOM 992 N LYS 61 9.216 -29.017 -4.624 1.00 2.30 ATOM 993 HN LYS 61 8.337 -28.978 -4.196 1.00 36.35 ATOM 994 CA LYS 61 9.308 -29.604 -5.955 1.00 70.13 ATOM 995 HA LYS 61 8.306 -29.832 -6.287 1.00 5.31 ATOM 996 CB LYS 61 9.941 -28.610 -6.931 1.00 43.03 ATOM 997 HB1 LYS 61 9.904 -29.032 -7.928 1.00 36.35 ATOM 998 HB2 LYS 61 10.976 -28.454 -6.669 1.00 42.50 ATOM 999 CG LYS 61 9.255 -27.255 -6.951 1.00 32.23 ATOM 1000 HG1 LYS 61 9.980 -26.509 -7.249 1.00 36.35 ATOM 1001 HG2 LYS 61 8.890 -27.008 -5.964 1.00 61.30 ATOM 1002 CD LYS 61 8.085 -27.237 -7.920 1.00 52.20 ATOM 1003 HD1 LYS 61 7.362 -26.519 -7.581 1.00 36.35 ATOM 1004 HD2 LYS 61 7.631 -28.215 -7.963 1.00 13.35 ATOM 1005 CE LYS 61 8.526 -26.833 -9.319 1.00 10.05 ATOM 1006 HE1 LYS 61 9.596 -26.967 -9.426 1.00 36.35 ATOM 1007 HE2 LYS 61 8.281 -25.795 -9.467 1.00 21.10 ATOM 1008 NZ LYS 61 7.840 -27.635 -10.370 1.00 2.34 ATOM 1009 HZ1 LYS 61 6.811 -27.642 -10.215 1.00 71.35 ATOM 1010 HZ2 LYS 61 8.186 -28.615 -10.352 1.00 12.33 ATOM 1011 HZ3 LYS 61 8.034 -27.231 -11.309 1.00 54.40 ATOM 1012 C LYS 61 10.123 -30.893 -5.926 1.00 73.32 ATOM 1013 O LYS 61 10.822 -31.217 -6.886 1.00 33.42 ATOM 1014 N GLN 62 10.026 -31.624 -4.820 1.00 61.24 ATOM 1015 HN GLN 62 9.454 -31.327 -4.084 1.00 36.35 ATOM 1016 CA GLN 62 10.754 -32.878 -4.668 1.00 61.42 ATOM 1017 HA GLN 62 10.981 -33.269 -5.654 1.00 62.53 ATOM 1018 CB GLN 62 12.072 -32.641 -3.929 1.00 1.01 ATOM 1019 HB1 GLN 62 11.990 -31.751 -3.322 1.00 36.35 ATOM 1020 HB2 GLN 62 12.856 -32.491 -4.658 1.00 44.33 ATOM 1021 CG GLN 62 12.477 -33.792 -3.022 1.00 70.13 ATOM 1022 HG1 GLN 62 11.728 -33.960 -2.266 1.00 36.35 ATOM 1023 HG2 GLN 62 13.402 -33.517 -2.535 1.00 63.34 ATOM 1024 CD GLN 62 12.722 -35.078 -3.786 1.00 62.33 ATOM 1025 OE1 GLN 62 12.511 -35.144 -4.998 1.00 20.23 ATOM 1026 NE2 GLN 62 13.171 -36.110 -3.081 1.00 13.02 ATOM 1027 HE21 GLN 62 13.323 -36.001 -2.115 1.00 12.30 ATOM 1028 HE22 GLN 62 13.336 -36.950 -3.558 1.00 11.40 ATOM 1029 C GLN 62 9.915 -33.907 -3.918 1.00 71.41 ATOM 1030 O GLN 62 9.378 -33.624 -2.847 1.00 22.41 ATOM 1031 N VAL 63 9.805 -35.103 -4.488 1.00 62.31 ATOM 1032 HN VAL 63 10.227 -35.254 -5.365 1.00 36.35 ATOM 1033 CA VAL 63 9.032 -36.175 -3.873 1.00 73.30 ATOM 1034 HA VAL 63 8.005 -35.881 -3.879 1.00 42.15 ATOM 1035 CB VAL 63 9.164 -37.489 -4.666 1.00 72.11 ATOM 1036 HB VAL 63 8.746 -37.336 -5.650 1.00 61.43 ATOM 1037 CG1 VAL 63 10.627 -37.872 -4.825 1.00 23.20 ATOM 1038 HG11 VAL 63 11.067 -38.095 -3.869 1.00 14.11 ATOM 1039 HG12 VAL 63 11.174 -37.078 -5.297 1.00 63.14 ATOM 1040 HG13 VAL 63 10.692 -38.752 -5.450 1.00 64.43 ATOM 1041 CG2 VAL 63 8.383 -38.603 -3.985 1.00 25.02 ATOM 1042 HG21 VAL 63 7.353 -38.306 -3.857 1.00 14.54 ATOM 1043 HG22 VAL 63 8.814 -38.830 -3.020 1.00 53.12 ATOM 1044 HG23 VAL 63 8.430 -39.478 -4.593 1.00 73.21 ATOM 1045 C VAL 63 9.474 -36.416 -2.434 1.00 60.42 ATOM 1046 O VAL 63 10.646 -36.687 -2.170 1.00 45.24 ATOM 1047 N LEU 64 8.529 -36.317 -1.506 1.00 73.31 ATOM 1048 HN LEU 64 7.604 -36.106 -1.778 1.00 36.35 ATOM 1049 CA LEU 64 8.820 -36.525 -0.092 1.00 22.31 ATOM 1050 HA LEU 64 9.687 -35.926 0.159 1.00 44.24 ATOM 1051 CB LEU 64 7.643 -36.058 0.766 1.00 73.43 ATOM 1052 HB1 LEU 64 6.790 -36.685 0.530 1.00 36.35 ATOM 1053 HB2 LEU 64 7.401 -35.043 0.476 1.00 54.10 ATOM 1054 CG LEU 64 7.861 -36.090 2.279 1.00 55.41 ATOM 1055 HG LEU 64 8.202 -37.072 2.571 1.00 53.14 ATOM 1056 CD1 LEU 64 8.927 -35.084 2.686 1.00 73.34 ATOM 1057 HD11 LEU 64 8.614 -34.088 2.403 1.00 0.02 ATOM 1058 HD12 LEU 64 9.853 -35.319 2.191 1.00 71.43 ATOM 1059 HD13 LEU 64 9.074 -35.121 3.754 1.00 11.22 ATOM 1060 CD2 LEU 64 6.556 -35.812 3.011 1.00 11.14 ATOM 1061 HD21 LEU 64 6.737 -35.722 4.070 1.00 60.45 ATOM 1062 HD22 LEU 64 5.867 -36.624 2.835 1.00 20.43 ATOM 1063 HD23 LEU 64 6.123 -34.889 2.647 1.00 74.02 ATOM 1064 C LEU 64 9.120 -37.994 0.192 1.00 1.30 ATOM 1065 O LEU 64 8.218 -38.831 0.204 1.00 14.23 ATOM 1066 N ASP 65 10.393 -38.298 0.422 1.00 74.32 ATOM 1067 HN ASP 65 11.064 -37.575 0.423 1.00 36.35 ATOM 1068 CA ASP 65 10.812 -39.665 0.709 1.00 34.23 ATOM 1069 HA ASP 65 10.494 -40.290 -0.114 1.00 74.34 ATOM 1070 CB ASP 65 12.335 -39.741 0.822 1.00 60.45 ATOM 1071 HB1 ASP 65 12.626 -40.778 0.882 1.00 36.35 ATOM 1072 HB2 ASP 65 12.662 -39.223 1.713 1.00 33.41 ATOM 1073 CG ASP 65 13.035 -39.122 -0.372 1.00 2.10 ATOM 1074 OD1 ASP 65 14.249 -38.844 -0.270 1.00 73.21 ATOM 1075 OD2 ASP 65 12.370 -38.916 -1.408 1.00 51.42 ATOM 1076 C ASP 65 10.168 -40.171 1.997 1.00 63.44 ATOM 1077 O ASP 65 10.661 -39.909 3.095 1.00 43.25 ATOM 1078 N LEU 66 9.065 -40.897 1.855 1.00 72.12 ATOM 1079 HN LEU 66 8.714 -41.063 0.956 1.00 36.35 ATOM 1080 CA LEU 66 8.353 -41.440 3.007 1.00 54.35 ATOM 1081 HA LEU 66 8.011 -40.614 3.605 1.00 0.21 ATOM 1082 CB LEU 66 7.159 -42.277 2.545 1.00 73.14 ATOM 1083 HB1 LEU 66 6.826 -42.892 3.376 1.00 36.35 ATOM 1084 HB2 LEU 66 7.500 -42.934 1.756 1.00 30.40 ATOM 1085 CG LEU 66 5.950 -41.495 2.028 1.00 65.44 ATOM 1086 HG LEU 66 6.248 -40.913 1.168 1.00 41.14 ATOM 1087 CD1 LEU 66 4.847 -42.446 1.591 1.00 34.12 ATOM 1088 HD11 LEU 66 4.521 -43.040 2.434 1.00 74.22 ATOM 1089 HD12 LEU 66 5.219 -43.100 0.814 1.00 1.32 ATOM 1090 HD13 LEU 66 4.010 -41.879 1.206 1.00 43.53 ATOM 1091 CD2 LEU 66 5.440 -40.536 3.093 1.00 23.00 ATOM 1092 HD21 LEU 66 5.242 -41.075 4.009 1.00 61.14 ATOM 1093 HD22 LEU 66 4.526 -40.066 2.752 1.00 35.11 ATOM 1094 HD23 LEU 66 6.176 -39.771 3.278 1.00 63.40 ATOM 1095 C LEU 66 9.280 -42.289 3.870 1.00 42.31 ATOM 1096 O LEU 66 9.292 -42.164 5.095 1.00 63.13 ATOM 1097 N PHE 67 10.058 -43.151 3.223 1.00 13.30 ATOM 1098 HN PHE 67 9.996 -43.216 2.240 1.00 36.35 ATOM 1099 CA PHE 67 10.990 -44.020 3.931 1.00 1.24 ATOM 1100 HA PHE 67 10.410 -44.715 4.523 1.00 51.42 ATOM 1101 CB PHE 67 11.845 -44.805 2.935 1.00 25.32 ATOM 1102 HB1 PHE 67 12.484 -44.118 2.393 1.00 36.35 ATOM 1103 HB2 PHE 67 11.188 -45.294 2.227 1.00 54.44 ATOM 1104 CG PHE 67 12.713 -45.847 3.581 1.00 24.12 ATOM 1105 CD1 PHE 67 12.362 -47.187 3.535 1.00 51.44 ATOM 1106 HD1 PHE 67 11.464 -47.483 3.019 1.00 62.23 ATOM 1107 CD2 PHE 67 13.881 -45.487 4.234 1.00 20.14 ATOM 1108 HD2 PHE 67 14.177 -44.449 4.275 1.00 51.22 ATOM 1109 CE1 PHE 67 13.159 -48.147 4.129 1.00 55.01 ATOM 1110 HE1 PHE 67 12.885 -49.185 4.085 1.00 11.32 ATOM 1111 CE2 PHE 67 14.682 -46.443 4.830 1.00 31.23 ATOM 1112 HE2 PHE 67 15.591 -46.150 5.334 1.00 53.43 ATOM 1113 CZ PHE 67 14.320 -47.775 4.776 1.00 25.04 ATOM 1114 HZ PHE 67 14.944 -48.524 5.241 1.00 63.52 ATOM 1115 C PHE 67 11.888 -43.210 4.862 1.00 30.34 ATOM 1116 O PHE 67 12.038 -43.540 6.038 1.00 2.25 ATOM 1117 N MET 68 12.483 -42.150 4.326 1.00 11.43 ATOM 1118 HN MET 68 12.298 -41.925 3.385 1.00 36.35 ATOM 1119 CA MET 68 13.366 -41.292 5.109 1.00 74.22 ATOM 1120 HA MET 68 14.146 -41.905 5.535 1.00 51.34 ATOM 1121 CB MET 68 13.993 -40.220 4.216 1.00 1.21 ATOM 1122 HB1 MET 68 14.697 -39.641 4.790 1.00 36.35 ATOM 1123 HB2 MET 68 13.203 -39.572 3.863 1.00 10.53 ATOM 1124 CG MET 68 14.698 -40.784 2.993 1.00 52.51 ATOM 1125 HG1 MET 68 15.163 -39.972 2.454 1.00 36.35 ATOM 1126 HG2 MET 68 13.976 -41.265 2.363 1.00 12.12 ATOM 1127 SD MET 68 15.965 -41.994 3.418 1.00 75.45 ATOM 1128 CE MET 68 16.835 -41.130 4.723 1.00 62.05 ATOM 1129 HE1 MET 68 17.064 -40.125 4.399 1.00 22.13 ATOM 1130 HE2 MET 68 17.753 -41.652 4.949 1.00 41.31 ATOM 1131 HE3 MET 68 16.216 -41.092 5.607 1.00 13.24 ATOM 1132 C MET 68 12.607 -40.634 6.257 1.00 30.41 ATOM 1133 O MET 68 13.052 -40.663 7.405 1.00 33.04 ATOM 1134 N LEU 69 11.461 -40.042 5.940 1.00 31.14 ATOM 1135 HN LEU 69 11.163 -40.046 4.999 1.00 36.35 ATOM 1136 CA LEU 69 10.640 -39.376 6.946 1.00 21.52 ATOM 1137 HA LEU 69 11.192 -38.522 7.299 1.00 34.14 ATOM 1138 CB LEU 69 9.312 -38.928 6.334 1.00 71.41 ATOM 1139 HB1 LEU 69 8.550 -39.661 6.579 1.00 36.35 ATOM 1140 HB2 LEU 69 9.415 -38.914 5.255 1.00 34.55 ATOM 1141 CG LEU 69 8.803 -37.553 6.768 1.00 71.33 ATOM 1142 HG LEU 69 8.752 -37.520 7.847 1.00 13.54 ATOM 1143 CD1 LEU 69 9.758 -36.462 6.310 1.00 54.25 ATOM 1144 HD11 LEU 69 9.398 -35.502 6.653 1.00 22.22 ATOM 1145 HD12 LEU 69 9.803 -36.459 5.236 1.00 42.50 ATOM 1146 HD13 LEU 69 10.744 -36.632 6.712 1.00 12.42 ATOM 1147 CD2 LEU 69 7.405 -37.305 6.221 1.00 35.40 ATOM 1148 HD21 LEU 69 6.731 -38.063 6.570 1.00 42.32 ATOM 1149 HD22 LEU 69 7.434 -37.335 5.144 1.00 52.31 ATOM 1150 HD23 LEU 69 7.053 -36.335 6.546 1.00 2.55 ATOM 1151 C LEU 69 10.381 -40.298 8.134 1.00 54.31 ATOM 1152 O LEU 69 10.523 -39.894 9.288 1.00 31.03 ATOM 1153 N TYR 70 10.001 -41.537 7.843 1.00 44.03 ATOM 1154 HN TYR 70 9.900 -41.803 6.898 1.00 36.35 ATOM 1155 CA TYR 70 9.722 -42.516 8.887 1.00 51.15 ATOM 1156 HA TYR 70 8.981 -42.105 9.552 1.00 71.13 ATOM 1157 CB TYR 70 9.171 -43.804 8.273 1.00 64.25 ATOM 1158 HB1 TYR 70 9.776 -44.071 7.415 1.00 36.35 ATOM 1159 HB2 TYR 70 8.159 -43.632 7.942 1.00 22.33 ATOM 1160 CG TYR 70 9.164 -44.976 9.229 1.00 41.45 ATOM 1161 CD1 TYR 70 8.054 -45.245 10.019 1.00 12.14 ATOM 1162 HD1 TYR 70 7.185 -44.606 9.946 1.00 32.24 ATOM 1163 CD2 TYR 70 10.267 -45.812 9.342 1.00 64.43 ATOM 1164 HD2 TYR 70 11.141 -45.620 8.735 1.00 71.32 ATOM 1165 CE1 TYR 70 8.043 -46.314 10.895 1.00 53.42 ATOM 1166 HE1 TYR 70 7.187 -46.516 11.478 1.00 22.14 ATOM 1167 CE2 TYR 70 10.265 -46.884 10.213 1.00 35.22 ATOM 1168 HE2 TYR 70 11.133 -47.523 10.285 1.00 52.35 ATOM 1169 CZ TYR 70 9.150 -47.131 10.988 1.00 41.53 ATOM 1170 OH TYR 70 9.144 -48.196 11.858 1.00 31.32 ATOM 1171 HH TYR 70 9.706 -48.003 12.615 1.00 52.35 ATOM 1172 C TYR 70 10.978 -42.822 9.697 1.00 13.30 ATOM 1173 O TYR 70 10.982 -42.711 10.923 1.00 10.21 ATOM 1174 N VAL 71 12.043 -43.207 9.002 1.00 4.11 ATOM 1175 HN VAL 71 11.980 -43.247 8.019 1.00 36.35 ATOM 1176 CA VAL 71 13.307 -43.527 9.655 1.00 30.41 ATOM 1177 HA VAL 71 13.154 -44.406 10.268 1.00 31.41 ATOM 1178 CB VAL 71 14.409 -43.837 8.624 1.00 11.43 ATOM 1179 HB VAL 71 14.542 -42.969 7.992 1.00 10.10 ATOM 1180 CG1 VAL 71 15.729 -44.122 9.323 1.00 4.23 ATOM 1181 HG11 VAL 71 16.451 -44.486 8.603 1.00 32.42 ATOM 1182 HG12 VAL 71 15.586 -44.871 10.090 1.00 62.22 ATOM 1183 HG13 VAL 71 16.112 -43.217 9.770 1.00 63.23 ATOM 1184 CG2 VAL 71 14.000 -45.006 7.742 1.00 34.42 ATOM 1185 HG21 VAL 71 12.946 -45.000 7.537 1.00 51.53 ATOM 1186 HG22 VAL 71 14.255 -45.943 8.221 1.00 53.34 ATOM 1187 HG23 VAL 71 14.538 -44.923 6.824 1.00 73.30 ATOM 1188 C VAL 71 13.769 -42.382 10.549 1.00 25.52 ATOM 1189 O VAL 71 14.263 -42.604 11.656 1.00 73.52 ATOM 1190 N LEU 72 13.607 -41.157 10.063 1.00 12.00 ATOM 1191 HN LEU 72 13.210 -41.039 9.170 1.00 36.35 ATOM 1192 CA LEU 72 14.007 -39.975 10.818 1.00 2.14 ATOM 1193 HA LEU 72 15.000 -40.148 11.201 1.00 70.22 ATOM 1194 CB LEU 72 14.005 -38.742 9.913 1.00 64.02 ATOM 1195 HB1 LEU 72 13.757 -37.884 10.503 1.00 36.35 ATOM 1196 HB2 LEU 72 13.235 -38.859 9.163 1.00 55.24 ATOM 1197 CG LEU 72 15.322 -38.430 9.202 1.00 45.34 ATOM 1198 HG LEU 72 15.195 -37.543 8.598 1.00 60.33 ATOM 1199 CD1 LEU 72 16.423 -38.154 10.214 1.00 44.21 ATOM 1200 HD11 LEU 72 16.106 -37.376 10.896 1.00 32.53 ATOM 1201 HD12 LEU 72 17.311 -37.825 9.693 1.00 54.44 ATOM 1202 HD13 LEU 72 16.652 -39.049 10.771 1.00 42.10 ATOM 1203 CD2 LEU 72 15.717 -39.576 8.281 1.00 15.15 ATOM 1204 HD21 LEU 72 15.751 -40.507 8.827 1.00 71.30 ATOM 1205 HD22 LEU 72 16.695 -39.379 7.860 1.00 61.44 ATOM 1206 HD23 LEU 72 15.008 -39.650 7.480 1.00 33.44 ATOM 1207 C LEU 72 13.079 -39.748 12.007 1.00 33.12 ATOM 1208 O LEU 72 13.523 -39.697 13.154 1.00 12.13 ATOM 1209 N VAL 73 11.787 -39.615 11.725 1.00 15.33 ATOM 1210 HN VAL 73 11.493 -39.671 10.787 1.00 36.35 ATOM 1211 CA VAL 73 10.794 -39.397 12.771 1.00 4.13 ATOM 1212 HA VAL 73 10.973 -38.422 13.206 1.00 22.14 ATOM 1213 CB VAL 73 9.363 -39.424 12.202 1.00 25.21 ATOM 1214 HB VAL 73 9.232 -40.346 11.654 1.00 71.20 ATOM 1215 CG1 VAL 73 8.340 -39.390 13.327 1.00 4.42 ATOM 1216 HG11 VAL 73 8.315 -40.345 13.827 1.00 23.11 ATOM 1217 HG12 VAL 73 7.357 -39.188 12.922 1.00 34.52 ATOM 1218 HG13 VAL 73 8.590 -38.625 14.037 1.00 13.34 ATOM 1219 CG2 VAL 73 9.151 -38.264 11.241 1.00 33.41 ATOM 1220 HG21 VAL 73 8.290 -38.468 10.623 1.00 73.43 ATOM 1221 HG22 VAL 73 10.015 -38.122 10.613 1.00 43.51 ATOM 1222 HG23 VAL 73 8.975 -37.353 11.799 1.00 3.51 ATOM 1223 C VAL 73 10.913 -40.448 13.869 1.00 62.41 ATOM 1224 O VAL 73 10.738 -40.151 15.051 1.00 31.21 ATOM 1225 N THR 74 11.213 -41.681 13.470 1.00 12.24 ATOM 1226 HN THR 74 11.337 -41.867 12.511 1.00 36.35 ATOM 1227 CA THR 74 11.355 -42.778 14.419 1.00 13.35 ATOM 1228 HA THR 74 10.504 -42.763 15.092 1.00 22.45 ATOM 1229 CB THR 74 11.380 -44.141 13.703 1.00 42.12 ATOM 1230 HB THR 74 11.581 -44.919 14.430 1.00 41.40 ATOM 1231 OG1 THR 74 12.411 -44.153 12.709 1.00 54.44 ATOM 1232 HG1 THR 74 12.688 -45.058 12.542 1.00 14.12 ATOM 1233 CG2 THR 74 10.037 -44.435 13.052 1.00 61.31 ATOM 1234 HG21 THR 74 10.198 -44.851 12.071 1.00 45.21 ATOM 1235 HG22 THR 74 9.448 -43.535 12.960 1.00 22.04 ATOM 1236 HG23 THR 74 9.512 -45.153 13.657 1.00 33.32 ATOM 1237 C THR 74 12.626 -42.628 15.247 1.00 0.41 ATOM 1238 O THR 74 12.585 -42.671 16.476 1.00 25.41 ATOM 1239 N GLU 75 13.753 -42.450 14.565 1.00 22.01 ATOM 1240 HN GLU 75 13.719 -42.421 13.578 1.00 36.35 ATOM 1241 CA GLU 75 15.037 -42.294 15.239 1.00 14.44 ATOM 1242 HA GLU 75 15.225 -43.189 15.816 1.00 31.13 ATOM 1243 CB GLU 75 16.159 -42.124 14.214 1.00 64.22 ATOM 1244 HB1 GLU 75 15.879 -42.613 13.298 1.00 36.35 ATOM 1245 HB2 GLU 75 17.046 -42.615 14.589 1.00 1.04 ATOM 1246 CG GLU 75 16.479 -40.673 13.895 1.00 32.31 ATOM 1247 HG1 GLU 75 15.601 -40.062 13.944 1.00 36.35 ATOM 1248 HG2 GLU 75 16.865 -40.636 12.887 1.00 73.11 ATOM 1249 CD GLU 75 17.539 -40.094 14.812 1.00 72.32 ATOM 1250 OE1 GLU 75 17.897 -38.912 14.631 1.00 42.43 ATOM 1251 OE2 GLU 75 18.010 -40.823 15.710 1.00 50.04 ATOM 1252 C GLU 75 15.012 -41.096 16.185 1.00 31.32 ATOM 1253 O GLU 75 15.811 -41.011 17.118 1.00 12.41 ATOM 1254 N LYS 76 14.089 -40.173 15.937 1.00 3.02 ATOM 1255 HN LYS 76 13.508 -40.251 15.150 1.00 36.35 ATOM 1256 CA LYS 76 13.958 -38.980 16.765 1.00 30.13 ATOM 1257 HA LYS 76 14.947 -38.664 17.070 1.00 53.52 ATOM 1258 CB LYS 76 13.285 -37.856 15.974 1.00 34.51 ATOM 1259 HB1 LYS 76 12.946 -37.084 16.656 1.00 36.35 ATOM 1260 HB2 LYS 76 12.428 -38.260 15.455 1.00 65.11 ATOM 1261 CG LYS 76 14.195 -37.206 14.947 1.00 51.11 ATOM 1262 HG1 LYS 76 13.630 -36.454 14.424 1.00 36.35 ATOM 1263 HG2 LYS 76 14.538 -37.951 14.253 1.00 30.02 ATOM 1264 CD LYS 76 15.405 -36.562 15.603 1.00 61.25 ATOM 1265 HD1 LYS 76 16.174 -37.314 15.699 1.00 36.35 ATOM 1266 HD2 LYS 76 15.156 -36.194 16.582 1.00 24.12 ATOM 1267 CE LYS 76 15.957 -35.424 14.758 1.00 50.01 ATOM 1268 HE1 LYS 76 15.182 -34.692 14.590 1.00 36.35 ATOM 1269 HE2 LYS 76 16.279 -35.825 13.807 1.00 30.52 ATOM 1270 NZ LYS 76 17.120 -34.762 15.411 1.00 64.41 ATOM 1271 HZ1 LYS 76 17.910 -35.435 15.493 1.00 71.42 ATOM 1272 HZ2 LYS 76 16.874 -34.426 16.361 1.00 2.42 ATOM 1273 HZ3 LYS 76 17.435 -33.955 14.842 1.00 33.24 ATOM 1274 C LYS 76 13.155 -39.279 18.027 1.00 31.42 ATOM 1275 O LYS 76 13.277 -38.581 19.033 1.00 50.05 ATOM 1276 N GLY 77 12.334 -40.324 17.967 1.00 2.13 ATOM 1277 HN GLY 77 12.249 -40.840 17.144 1.00 36.35 ATOM 1278 CA GLY 77 11.525 -40.698 19.112 1.00 14.33 ATOM 1279 HA1 GLY 77 11.511 -39.901 19.846 1.00 36.35 ATOM 1280 HA2 GLY 77 11.959 -41.575 19.567 1.00 74.31 ATOM 1281 C GLY 77 10.092 -41.015 18.731 1.00 64.33 ATOM 1282 O GLY 77 9.396 -41.733 19.447 1.00 23.42 ATOM 1283 N GLY 78 9.650 -40.477 17.598 1.00 31.31 ATOM 1284 HN GLY 78 10.236 -39.903 17.056 1.00 36.35 ATOM 1285 CA GLY 78 8.293 -40.717 17.143 1.00 32.53 ATOM 1286 HA1 GLY 78 7.697 -41.156 17.934 1.00 36.35 ATOM 1287 HA2 GLY 78 8.327 -41.410 16.316 1.00 4.34 ATOM 1288 C GLY 78 7.604 -39.449 16.680 1.00 34.31 ATOM 1289 O GLY 78 8.069 -38.343 16.958 1.00 23.54 ATOM 1290 N LEU 79 6.492 -39.608 15.970 1.00 1.31 ATOM 1291 HN LEU 79 6.170 -40.522 15.776 1.00 36.35 ATOM 1292 CA LEU 79 5.738 -38.466 15.465 1.00 14.33 ATOM 1293 HA LEU 79 6.347 -37.967 14.725 1.00 12.24 ATOM 1294 CB LEU 79 4.441 -38.938 14.806 1.00 54.32 ATOM 1295 HB1 LEU 79 3.920 -39.567 15.516 1.00 36.35 ATOM 1296 HB2 LEU 79 4.710 -39.539 13.958 1.00 32.13 ATOM 1297 CG LEU 79 3.482 -37.838 14.348 1.00 71.25 ATOM 1298 HG LEU 79 3.154 -37.282 15.204 1.00 33.25 ATOM 1299 CD1 LEU 79 4.181 -36.885 13.391 1.00 2.43 ATOM 1300 HD11 LEU 79 4.928 -36.324 13.932 1.00 5.20 ATOM 1301 HD12 LEU 79 3.464 -36.196 12.965 1.00 72.33 ATOM 1302 HD13 LEU 79 4.658 -37.437 12.602 1.00 20.42 ATOM 1303 CD2 LEU 79 2.249 -38.444 13.693 1.00 62.34 ATOM 1304 HD21 LEU 79 2.533 -38.990 12.807 1.00 1.33 ATOM 1305 HD22 LEU 79 1.565 -37.653 13.422 1.00 32.02 ATOM 1306 HD23 LEU 79 1.760 -39.113 14.387 1.00 52.41 ATOM 1307 C LEU 79 5.422 -37.482 16.588 1.00 61.33 ATOM 1308 O LEU 79 5.716 -36.291 16.485 1.00 71.23 ATOM 1309 N VAL 80 4.824 -37.989 17.661 1.00 74.20 ATOM 1310 HN VAL 80 4.649 -38.957 17.691 1.00 36.35 ATOM 1311 CA VAL 80 4.471 -37.156 18.805 1.00 62.53 ATOM 1312 HA VAL 80 3.744 -36.424 18.475 1.00 30.31 ATOM 1313 CB VAL 80 3.842 -37.992 19.935 1.00 73.41 ATOM 1314 HB VAL 80 4.574 -38.709 20.283 1.00 73.32 ATOM 1315 CG1 VAL 80 3.454 -37.102 21.106 1.00 41.05 ATOM 1316 HG11 VAL 80 3.047 -36.166 20.744 1.00 44.11 ATOM 1317 HG12 VAL 80 4.328 -36.908 21.705 1.00 63.21 ATOM 1318 HG13 VAL 80 2.712 -37.595 21.717 1.00 0.34 ATOM 1319 CG2 VAL 80 2.636 -38.763 19.419 1.00 62.43 ATOM 1320 HG21 VAL 80 2.927 -39.431 18.625 1.00 2.25 ATOM 1321 HG22 VAL 80 1.908 -38.074 19.059 1.00 23.14 ATOM 1322 HG23 VAL 80 2.203 -39.336 20.222 1.00 33.52 ATOM 1323 C VAL 80 5.693 -36.425 19.349 1.00 51.42 ATOM 1324 O VAL 80 5.669 -35.208 19.531 1.00 31.04 ATOM 1325 N GLU 81 6.760 -37.175 19.605 1.00 10.13 ATOM 1326 HN GLU 81 6.718 -38.148 19.439 1.00 36.35 ATOM 1327 CA GLU 81 7.992 -36.596 20.129 1.00 33.41 ATOM 1328 HA GLU 81 7.770 -36.162 21.095 1.00 2.12 ATOM 1329 CB GLU 81 9.057 -37.681 20.303 1.00 41.12 ATOM 1330 HB1 GLU 81 9.396 -38.003 19.326 1.00 36.35 ATOM 1331 HB2 GLU 81 8.606 -38.530 20.801 1.00 12.31 ATOM 1332 CG GLU 81 10.269 -37.222 21.096 1.00 42.22 ATOM 1333 HG1 GLU 81 10.305 -36.146 21.124 1.00 36.35 ATOM 1334 HG2 GLU 81 11.158 -37.593 20.609 1.00 64.22 ATOM 1335 CD GLU 81 10.260 -37.732 22.524 1.00 73.23 ATOM 1336 OE1 GLU 81 9.178 -37.730 23.148 1.00 63.42 ATOM 1337 OE2 GLU 81 11.335 -38.134 23.017 1.00 53.24 ATOM 1338 C GLU 81 8.513 -35.499 19.206 1.00 61.14 ATOM 1339 O GLU 81 9.065 -34.498 19.662 1.00 13.25 ATOM 1340 N VAL 82 8.335 -35.696 17.903 1.00 12.31 ATOM 1341 HN VAL 82 7.898 -36.521 17.588 1.00 36.35 ATOM 1342 CA VAL 82 8.786 -34.724 16.914 1.00 2.24 ATOM 1343 HA VAL 82 9.801 -34.456 17.152 1.00 63.12 ATOM 1344 CB VAL 82 8.757 -35.315 15.492 1.00 12.24 ATOM 1345 HB VAL 82 7.752 -35.647 15.278 1.00 43.34 ATOM 1346 CG1 VAL 82 9.133 -34.257 14.466 1.00 3.24 ATOM 1347 HG11 VAL 82 8.653 -34.511 13.532 1.00 40.34 ATOM 1348 HG12 VAL 82 10.195 -34.251 14.303 1.00 74.04 ATOM 1349 HG13 VAL 82 8.815 -33.272 14.752 1.00 61.41 ATOM 1350 CG2 VAL 82 9.684 -36.517 15.396 1.00 5.41 ATOM 1351 HG21 VAL 82 9.416 -37.252 16.118 1.00 13.45 ATOM 1352 HG22 VAL 82 10.701 -36.201 15.580 1.00 54.11 ATOM 1353 HG23 VAL 82 9.622 -36.940 14.407 1.00 62.41 ATOM 1354 C VAL 82 7.926 -33.466 16.948 1.00 52.31 ATOM 1355 O VAL 82 8.440 -32.348 16.887 1.00 72.44 ATOM 1356 N ILE 83 6.614 -33.655 17.046 1.00 3.01 ATOM 1357 HN ILE 83 6.259 -34.574 17.098 1.00 36.35 ATOM 1358 CA ILE 83 5.682 -32.535 17.090 1.00 45.05 ATOM 1359 HA ILE 83 5.864 -31.908 16.224 1.00 12.31 ATOM 1360 CB ILE 83 4.221 -33.017 17.038 1.00 15.32 ATOM 1361 HB ILE 83 4.047 -33.652 17.898 1.00 65.22 ATOM 1362 CG1 ILE 83 3.968 -33.815 15.758 1.00 65.42 ATOM 1363 HG11 ILE 83 4.833 -34.401 15.505 1.00 36.35 ATOM 1364 HG12 ILE 83 3.778 -33.144 14.946 1.00 42.14 ATOM 1365 CG2 ILE 83 3.269 -31.833 17.126 1.00 4.53 ATOM 1366 HG21 ILE 83 3.540 -31.087 16.391 1.00 71.55 ATOM 1367 HG22 ILE 83 3.310 -31.398 18.113 1.00 25.21 ATOM 1368 HG23 ILE 83 2.257 -32.165 16.936 1.00 70.32 ATOM 1369 CD1 ILE 83 2.801 -34.772 15.862 1.00 1.31 ATOM 1370 HD11 ILE 83 1.927 -34.242 16.208 1.00 24.53 ATOM 1371 HD12 ILE 83 3.043 -35.560 16.558 1.00 35.23 ATOM 1372 HD13 ILE 83 2.599 -35.197 14.891 1.00 61.01 ATOM 1373 C ILE 83 5.887 -31.699 18.348 1.00 14.41 ATOM 1374 O ILE 83 5.715 -30.481 18.331 1.00 52.43 ATOM 1375 N ASN 84 6.256 -32.362 19.439 1.00 10.42 ATOM 1376 HN ASN 84 6.377 -33.340 19.402 1.00 36.35 ATOM 1377 CA ASN 84 6.485 -31.679 20.707 1.00 22.04 ATOM 1378 HA ASN 84 5.765 -30.873 20.801 1.00 10.24 ATOM 1379 CB ASN 84 6.290 -32.649 21.875 1.00 51.51 ATOM 1380 HB1 ASN 84 6.516 -32.141 22.804 1.00 36.35 ATOM 1381 HB2 ASN 84 6.967 -33.483 21.755 1.00 34.04 ATOM 1382 CG ASN 84 4.870 -33.174 21.958 1.00 30.43 ATOM 1383 OD1 ASN 84 3.907 -32.419 21.820 1.00 64.40 ATOM 1384 ND2 ASN 84 4.734 -34.476 22.186 1.00 55.40 ATOM 1385 HD21 ASN 84 5.536 -35.038 22.279 1.00 61.01 ATOM 1386 HD22 ASN 84 3.826 -34.817 22.285 1.00 74.30 ATOM 1387 C ASN 84 7.888 -31.081 20.758 1.00 71.14 ATOM 1388 O ASN 84 8.089 -29.982 21.275 1.00 35.12 ATOM 1389 N LYS 85 8.856 -31.812 20.216 1.00 43.23 ATOM 1390 HN LYS 85 8.641 -32.690 19.822 1.00 36.35 ATOM 1391 CA LYS 85 10.241 -31.355 20.196 1.00 53.41 ATOM 1392 HA LYS 85 10.499 -31.002 21.189 1.00 30.32 ATOM 1393 CB LYS 85 11.174 -32.506 19.817 1.00 64.34 ATOM 1394 HB1 LYS 85 12.119 -32.102 19.468 1.00 36.35 ATOM 1395 HB2 LYS 85 10.727 -33.058 19.009 1.00 73.53 ATOM 1396 CG LYS 85 11.446 -33.471 20.958 1.00 13.54 ATOM 1397 HG1 LYS 85 11.319 -34.473 20.588 1.00 36.35 ATOM 1398 HG2 LYS 85 10.754 -33.300 21.773 1.00 23.24 ATOM 1399 CD LYS 85 12.868 -33.336 21.476 1.00 70.01 ATOM 1400 HD1 LYS 85 13.560 -33.535 20.669 1.00 36.35 ATOM 1401 HD2 LYS 85 13.019 -34.057 22.266 1.00 74.30 ATOM 1402 CE LYS 85 13.132 -31.942 22.024 1.00 22.11 ATOM 1403 HE1 LYS 85 12.265 -31.600 22.576 1.00 36.35 ATOM 1404 HE2 LYS 85 13.315 -31.273 21.197 1.00 32.32 ATOM 1405 NZ LYS 85 14.312 -31.918 22.933 1.00 53.23 ATOM 1406 HZ1 LYS 85 14.465 -30.953 23.289 1.00 32.45 ATOM 1407 HZ2 LYS 85 15.167 -32.225 22.425 1.00 13.03 ATOM 1408 HZ3 LYS 85 14.157 -32.552 23.744 1.00 45.24 ATOM 1409 C LYS 85 10.418 -30.199 19.216 1.00 0.24 ATOM 1410 O LYS 85 11.417 -29.481 19.261 1.00 3.13 ATOM 1411 N LYS 86 9.442 -30.023 18.332 1.00 33.35 ATOM 1412 HN LYS 86 8.685 -30.640 18.290 1.00 36.35 ATOM 1413 CA LYS 86 9.488 -28.953 17.343 1.00 13.04 ATOM 1414 HA LYS 86 8.680 -29.110 16.647 1.00 35.44 ATOM 1415 CB LYS 86 9.308 -27.594 18.023 1.00 12.15 ATOM 1416 HB1 LYS 86 9.241 -26.831 17.266 1.00 36.35 ATOM 1417 HB2 LYS 86 10.176 -27.396 18.641 1.00 14.30 ATOM 1418 CG LYS 86 8.081 -27.518 18.916 1.00 50.02 ATOM 1419 HG1 LYS 86 8.157 -26.632 19.533 1.00 36.35 ATOM 1420 HG2 LYS 86 8.047 -28.383 19.553 1.00 4.21 ATOM 1421 CD LYS 86 6.800 -27.465 18.100 1.00 63.12 ATOM 1422 HD1 LYS 86 6.024 -27.942 18.675 1.00 36.35 ATOM 1423 HD2 LYS 86 6.922 -27.989 17.163 1.00 23.31 ATOM 1424 CE LYS 86 6.380 -26.031 17.815 1.00 34.51 ATOM 1425 HE1 LYS 86 6.515 -25.429 18.704 1.00 36.35 ATOM 1426 HE2 LYS 86 5.340 -26.020 17.540 1.00 32.12 ATOM 1427 NZ LYS 86 7.168 -25.433 16.702 1.00 14.23 ATOM 1428 HZ1 LYS 86 8.093 -25.113 17.051 1.00 61.12 ATOM 1429 HZ2 LYS 86 6.661 -24.612 16.314 1.00 35.41 ATOM 1430 HZ3 LYS 86 7.315 -26.123 15.934 1.00 44.40 ATOM 1431 C LYS 86 10.805 -28.978 16.575 1.00 22.41 ATOM 1432 O LYS 86 11.283 -27.944 16.107 1.00 11.14 ATOM 1433 N LEU 87 11.387 -30.166 16.447 1.00 3.43 ATOM 1434 HN LEU 87 10.936 -30.955 16.784 1.00 36.35 ATOM 1435 CA LEU 87 12.650 -30.326 15.734 1.00 54.12 ATOM 1436 HA LEU 87 13.192 -29.388 15.761 1.00 33.41 ATOM 1437 CB LEU 87 13.509 -31.395 16.411 1.00 74.30 ATOM 1438 HB1 LEU 87 13.360 -31.320 17.481 1.00 36.35 ATOM 1439 HB2 LEU 87 14.545 -31.169 16.198 1.00 13.11 ATOM 1440 CG LEU 87 13.242 -32.839 15.984 1.00 24.44 ATOM 1441 HG LEU 87 13.564 -32.991 14.969 1.00 14.21 ATOM 1442 CD1 LEU 87 14.041 -33.806 16.845 1.00 12.02 ATOM 1443 HD11 LEU 87 13.752 -34.812 16.608 1.00 61.00 ATOM 1444 HD12 LEU 87 13.838 -33.617 17.891 1.00 13.30 ATOM 1445 HD13 LEU 87 15.086 -33.670 16.656 1.00 41.14 ATOM 1446 CD2 LEU 87 11.756 -33.154 16.065 1.00 53.22 ATOM 1447 HD21 LEU 87 11.200 -32.584 15.345 1.00 75.24 ATOM 1448 HD22 LEU 87 11.394 -32.935 17.053 1.00 25.53 ATOM 1449 HD23 LEU 87 11.607 -34.207 15.868 1.00 65.13 ATOM 1450 C LEU 87 12.407 -30.701 14.275 1.00 11.23 ATOM 1451 O LEU 87 13.289 -31.241 13.608 1.00 20.43 ATOM 1452 N TRP 88 11.207 -30.408 13.787 1.00 62.32 ATOM 1453 HN TRP 88 10.533 -29.983 14.347 1.00 36.35 ATOM 1454 CA TRP 88 10.849 -30.713 12.406 1.00 44.10 ATOM 1455 HA TRP 88 10.747 -31.787 12.322 1.00 42.42 ATOM 1456 CB TRP 88 9.525 -30.041 12.040 1.00 0.45 ATOM 1457 HB1 TRP 88 9.503 -29.828 10.977 1.00 36.35 ATOM 1458 HB2 TRP 88 9.434 -29.108 12.581 1.00 33.24 ATOM 1459 CG TRP 88 8.326 -30.885 12.348 1.00 74.12 ATOM 1460 CD1 TRP 88 7.347 -30.617 13.261 1.00 13.25 ATOM 1461 HD1 TRP 88 7.324 -29.738 13.887 1.00 72.14 ATOM 1462 CD2 TRP 88 7.980 -32.135 11.742 1.00 71.41 ATOM 1463 NE1 TRP 88 6.413 -31.625 13.260 1.00 22.12 ATOM 1464 HE1 TRP 88 5.615 -31.662 13.828 1.00 53.41 ATOM 1465 CE2 TRP 88 6.778 -32.568 12.336 1.00 23.22 ATOM 1466 CE3 TRP 88 8.567 -32.930 10.754 1.00 21.40 ATOM 1467 HE3 TRP 88 9.482 -32.632 10.273 1.00 41.24 ATOM 1468 CZ2 TRP 88 6.157 -33.760 11.975 1.00 74.34 ATOM 1469 HZ2 TRP 88 5.235 -34.086 12.434 1.00 73.43 ATOM 1470 CZ3 TRP 88 7.949 -34.113 10.397 1.00 71.55 ATOM 1471 HZ3 TRP 88 8.385 -34.738 9.635 1.00 24.32 ATOM 1472 CH2 TRP 88 6.754 -34.519 11.005 1.00 75.12 ATOM 1473 HH2 TRP 88 6.307 -35.452 10.695 1.00 1.44 ATOM 1474 C TRP 88 11.945 -30.260 11.447 1.00 21.22 ATOM 1475 O TRP 88 12.149 -30.864 10.394 1.00 40.22 ATOM 1476 N ARG 89 12.648 -29.195 11.819 1.00 53.02 ATOM 1477 HN ARG 89 12.387 -28.696 12.625 1.00 36.35 ATOM 1478 CA ARG 89 13.722 -28.662 10.990 1.00 2.53 ATOM 1479 HA ARG 89 13.280 -28.259 10.091 1.00 33.24 ATOM 1480 CB ARG 89 14.456 -27.540 11.729 1.00 74.33 ATOM 1481 HB1 ARG 89 13.763 -26.721 11.869 1.00 36.35 ATOM 1482 HB2 ARG 89 15.285 -27.195 11.124 1.00 10.15 ATOM 1483 CG ARG 89 14.993 -27.956 13.088 1.00 21.23 ATOM 1484 HG1 ARG 89 15.860 -28.581 12.940 1.00 36.35 ATOM 1485 HG2 ARG 89 14.241 -28.506 13.633 1.00 1.05 ATOM 1486 CD ARG 89 15.400 -26.750 13.919 1.00 3.42 ATOM 1487 HD1 ARG 89 14.524 -26.146 14.111 1.00 36.35 ATOM 1488 HD2 ARG 89 16.117 -26.175 13.347 1.00 63.54 ATOM 1489 NE ARG 89 15.999 -27.139 15.193 1.00 33.12 ATOM 1490 HE ARG 89 15.843 -28.058 15.514 1.00 20.24 ATOM 1491 CZ ARG 89 16.734 -26.323 15.940 1.00 44.13 ATOM 1492 NH1 ARG 89 16.961 -25.079 15.542 1.00 52.44 ATOM 1493 HH11 ARG 89 16.590 -24.726 14.687 1.00 74.21 ATOM 1494 HH12 ARG 89 17.520 -24.473 16.112 1.00 2.32 ATOM 1495 NH2 ARG 89 17.245 -26.751 17.087 1.00 11.23 ATOM 1496 HH21 ARG 89 17.078 -27.690 17.393 1.00 62.13 ATOM 1497 HH22 ARG 89 17.800 -26.137 17.652 1.00 25.11 ATOM 1498 C ARG 89 14.708 -29.761 10.604 1.00 12.43 ATOM 1499 O ARG 89 15.183 -29.811 9.470 1.00 15.22 ATOM 1500 N GLU 90 15.011 -30.638 11.556 1.00 14.01 ATOM 1501 HN GLU 90 14.583 -30.564 12.440 1.00 36.35 ATOM 1502 CA GLU 90 15.941 -31.735 11.315 1.00 13.21 ATOM 1503 HA GLU 90 16.858 -31.321 10.915 1.00 64.51 ATOM 1504 CB GLU 90 16.261 -32.459 12.625 1.00 54.34 ATOM 1505 HB1 GLU 90 16.971 -33.252 12.430 1.00 36.35 ATOM 1506 HB2 GLU 90 15.348 -32.899 13.007 1.00 14.14 ATOM 1507 CG GLU 90 16.818 -31.546 13.704 1.00 30.31 ATOM 1508 HG1 GLU 90 16.587 -31.977 14.666 1.00 36.35 ATOM 1509 HG2 GLU 90 16.361 -30.571 13.642 1.00 61.13 ATOM 1510 CD GLU 90 18.322 -31.381 13.609 1.00 63.21 ATOM 1511 OE1 GLU 90 18.801 -30.233 13.718 1.00 55.42 ATOM 1512 OE2 GLU 90 19.021 -32.400 13.425 1.00 1.45 ATOM 1513 C GLU 90 15.367 -32.722 10.302 1.00 3.14 ATOM 1514 O GLU 90 16.066 -33.171 9.394 1.00 63.14 ATOM 1515 N ILE 91 14.092 -33.055 10.467 1.00 54.12 ATOM 1516 HN ILE 91 13.582 -32.635 11.194 1.00 36.35 ATOM 1517 CA ILE 91 13.424 -33.988 9.568 1.00 41.25 ATOM 1518 HA ILE 91 13.951 -34.932 9.612 1.00 65.22 ATOM 1519 CB ILE 91 11.959 -34.220 9.983 1.00 25.22 ATOM 1520 HB ILE 91 11.417 -33.297 9.849 1.00 32.42 ATOM 1521 CG1 ILE 91 11.883 -34.631 11.455 1.00 23.11 ATOM 1522 HG11 ILE 91 10.847 -34.791 11.723 1.00 36.35 ATOM 1523 HG12 ILE 91 12.282 -33.850 12.079 1.00 30.41 ATOM 1524 CG2 ILE 91 11.319 -35.279 9.098 1.00 24.43 ATOM 1525 HG21 ILE 91 11.953 -36.154 9.052 1.00 63.15 ATOM 1526 HG22 ILE 91 11.178 -34.886 8.103 1.00 31.10 ATOM 1527 HG23 ILE 91 10.357 -35.561 9.501 1.00 41.14 ATOM 1528 CD1 ILE 91 12.635 -35.906 11.766 1.00 31.42 ATOM 1529 HD11 ILE 91 12.481 -36.154 12.801 1.00 31.23 ATOM 1530 HD12 ILE 91 13.690 -35.773 11.584 1.00 33.10 ATOM 1531 HD13 ILE 91 12.255 -36.707 11.155 1.00 61.44 ATOM 1532 C ILE 91 13.459 -33.484 8.129 1.00 74.34 ATOM 1533 O ILE 91 13.710 -34.249 7.197 1.00 73.24 ATOM 1534 N THR 92 13.206 -32.191 7.954 1.00 41.33 ATOM 1535 HN THR 92 13.004 -31.624 8.736 1.00 36.35 ATOM 1536 CA THR 92 13.209 -31.584 6.629 1.00 53.23 ATOM 1537 HA THR 92 12.574 -32.184 5.987 1.00 30.24 ATOM 1538 CB THR 92 12.670 -30.141 6.670 1.00 25.25 ATOM 1539 HB THR 92 13.410 -29.459 6.265 1.00 44.42 ATOM 1540 OG1 THR 92 12.397 -29.759 8.023 1.00 21.32 ATOM 1541 HG1 THR 92 12.433 -28.802 8.103 1.00 64.44 ATOM 1542 CG2 THR 92 11.405 -30.011 5.836 1.00 62.30 ATOM 1543 HG21 THR 92 10.848 -30.933 5.836 1.00 63.52 ATOM 1544 HG22 THR 92 11.675 -29.764 4.821 1.00 72.24 ATOM 1545 HG23 THR 92 10.794 -29.218 6.238 1.00 60.31 ATOM 1546 C THR 92 14.611 -31.574 6.031 1.00 2.33 ATOM 1547 O THR 92 14.815 -31.992 4.891 1.00 10.24 ATOM 1548 N LYS 93 15.577 -31.094 6.808 1.00 34.22 ATOM 1549 HN LYS 93 15.351 -30.772 7.714 1.00 36.35 ATOM 1550 CA LYS 93 16.962 -31.031 6.357 1.00 32.23 ATOM 1551 HA LYS 93 16.989 -30.424 5.460 1.00 64.13 ATOM 1552 CB LYS 93 17.841 -30.388 7.432 1.00 31.23 ATOM 1553 HB1 LYS 93 18.233 -31.157 8.088 1.00 36.35 ATOM 1554 HB2 LYS 93 17.235 -29.716 8.030 1.00 12.01 ATOM 1555 CG LYS 93 19.018 -29.610 6.870 1.00 21.22 ATOM 1556 HG1 LYS 93 19.334 -30.047 5.931 1.00 36.35 ATOM 1557 HG2 LYS 93 19.832 -29.667 7.580 1.00 20.32 ATOM 1558 CD LYS 93 18.664 -28.150 6.644 1.00 5.22 ATOM 1559 HD1 LYS 93 18.262 -27.738 7.562 1.00 36.35 ATOM 1560 HD2 LYS 93 17.919 -28.089 5.864 1.00 23.03 ATOM 1561 CE LYS 93 19.882 -27.340 6.225 1.00 11.13 ATOM 1562 HE1 LYS 93 19.868 -27.229 5.151 1.00 36.35 ATOM 1563 HE2 LYS 93 20.788 -27.855 6.519 1.00 70.31 ATOM 1564 NZ LYS 93 19.888 -25.986 6.846 1.00 74.15 ATOM 1565 HZ1 LYS 93 19.902 -26.064 7.885 1.00 50.32 ATOM 1566 HZ2 LYS 93 19.041 -25.452 6.560 1.00 43.53 ATOM 1567 HZ3 LYS 93 20.731 -25.459 6.540 1.00 21.40 ATOM 1568 C LYS 93 17.488 -32.423 6.020 1.00 2.44 ATOM 1569 O LYS 93 18.341 -32.580 5.147 1.00 15.13 ATOM 1570 N GLY 94 16.973 -33.430 6.718 1.00 22.54 ATOM 1571 HN GLY 94 16.310 -33.263 7.423 1.00 36.35 ATOM 1572 CA GLY 94 17.403 -34.796 6.477 1.00 14.43 ATOM 1573 HA1 GLY 94 16.842 -35.456 7.123 1.00 36.35 ATOM 1574 HA2 GLY 94 18.454 -34.884 6.717 1.00 35.54 ATOM 1575 C GLY 94 17.190 -35.225 5.039 1.00 11.11 ATOM 1576 O GLY 94 17.971 -36.006 4.495 1.00 60.35 ATOM 1577 N LEU 95 16.130 -34.715 4.422 1.00 33.21 ATOM 1578 HN LEU 95 15.561 -34.062 4.888 1.00 36.35 ATOM 1579 CA LEU 95 15.815 -35.052 3.038 1.00 50.31 ATOM 1580 HA LEU 95 16.290 -35.992 2.784 1.00 64.43 ATOM 1581 CB LEU 95 14.304 -35.218 2.864 1.00 64.43 ATOM 1582 HB1 LEU 95 14.142 -35.954 2.088 1.00 36.35 ATOM 1583 HB2 LEU 95 13.886 -34.287 2.526 1.00 33.23 ATOM 1584 CG LEU 95 13.530 -35.662 4.105 1.00 25.44 ATOM 1585 HG LEU 95 13.703 -34.969 4.906 1.00 32.52 ATOM 1586 CD1 LEU 95 12.035 -35.664 3.830 1.00 12.42 ATOM 1587 HD11 LEU 95 11.600 -34.756 4.219 1.00 32.21 ATOM 1588 HD12 LEU 95 11.573 -36.513 4.305 1.00 44.14 ATOM 1589 HD13 LEU 95 11.850 -35.719 2.766 1.00 53.22 ATOM 1590 CD2 LEU 95 13.992 -37.040 4.557 1.00 25.14 ATOM 1591 HD21 LEU 95 13.321 -37.435 5.308 1.00 72.45 ATOM 1592 HD22 LEU 95 14.986 -36.966 4.972 1.00 3.22 ATOM 1593 HD23 LEU 95 14.011 -37.695 3.706 1.00 53.35 ATOM 1594 C LEU 95 16.333 -33.979 2.085 1.00 11.14 ATOM 1595 O LEU 95 15.980 -33.959 0.907 1.00 3.40 ATOM 1596 N ASN 96 17.173 -33.090 2.605 1.00 45.25 ATOM 1597 HN ASN 96 17.447 -33.144 3.528 1.00 36.35 ATOM 1598 CA ASN 96 17.742 -32.015 1.800 1.00 52.44 ATOM 1599 HA ASN 96 18.417 -31.460 2.435 1.00 52.43 ATOM 1600 CB ASN 96 18.511 -32.592 0.610 1.00 71.04 ATOM 1601 HB1 ASN 96 17.832 -32.832 -0.198 1.00 36.35 ATOM 1602 HB2 ASN 96 19.015 -33.496 0.922 1.00 63.51 ATOM 1603 CG ASN 96 19.563 -31.636 0.082 1.00 2.23 ATOM 1604 OD1 ASN 96 19.514 -31.218 -1.075 1.00 24.22 ATOM 1605 ND2 ASN 96 20.522 -31.285 0.931 1.00 10.33 ATOM 1606 HD21 ASN 96 20.513 -31.651 1.844 1.00 43.13 ATOM 1607 HD22 ASN 96 21.211 -30.666 0.609 1.00 72.12 ATOM 1608 C ASN 96 16.650 -31.071 1.304 1.00 4.43 ATOM 1609 O ASN 96 16.597 -30.732 0.121 1.00 34.32 ATOM 1610 N LEU 97 15.783 -30.648 2.217 1.00 35.10 ATOM 1611 HN LEU 97 15.882 -30.935 3.155 1.00 36.35 ATOM 1612 CA LEU 97 14.692 -29.742 1.874 1.00 11.01 ATOM 1613 HA LEU 97 14.588 -29.731 0.798 1.00 15.51 ATOM 1614 CB LEU 97 13.378 -30.244 2.475 1.00 13.30 ATOM 1615 HB1 LEU 97 12.569 -29.685 2.035 1.00 36.35 ATOM 1616 HB2 LEU 97 13.394 -30.040 3.539 1.00 43.14 ATOM 1617 CG LEU 97 13.084 -31.734 2.297 1.00 11.31 ATOM 1618 HG LEU 97 13.813 -32.300 2.842 1.00 41.10 ATOM 1619 CD1 LEU 97 11.708 -32.076 2.848 1.00 24.01 ATOM 1620 HD11 LEU 97 11.521 -33.134 2.722 1.00 31.15 ATOM 1621 HD12 LEU 97 10.960 -31.519 2.317 1.00 75.42 ATOM 1622 HD13 LEU 97 11.666 -31.833 3.895 1.00 62.55 ATOM 1623 CD2 LEU 97 13.186 -32.126 0.830 1.00 14.22 ATOM 1624 HD21 LEU 97 14.193 -31.971 0.476 1.00 42.41 ATOM 1625 HD22 LEU 97 12.503 -31.527 0.244 1.00 43.13 ATOM 1626 HD23 LEU 97 12.930 -33.171 0.716 1.00 52.12 ATOM 1627 C LEU 97 14.983 -28.328 2.367 1.00 30.35 ATOM 1628 O LEU 97 15.708 -28.121 3.341 1.00 74.00 ATOM 1629 N PRO 98 14.404 -27.331 1.682 1.00 33.24 ATOM 1630 CA PRO 98 14.584 -25.920 2.035 1.00 41.45 ATOM 1631 HA PRO 98 15.634 -25.662 2.089 1.00 70.12 ATOM 1632 CB PRO 98 13.939 -25.176 0.862 1.00 21.40 ATOM 1633 HB1 PRO 98 14.697 -24.941 0.130 1.00 36.35 ATOM 1634 HB2 PRO 98 13.467 -24.260 1.198 1.00 51.41 ATOM 1635 CG PRO 98 12.942 -26.135 0.308 1.00 1.03 ATOM 1636 HG1 PRO 98 12.811 -25.937 -0.741 1.00 36.35 ATOM 1637 HG2 PRO 98 12.020 -26.034 0.820 1.00 75.10 ATOM 1638 CD PRO 98 13.528 -27.505 0.512 1.00 54.03 ATOM 1639 HD1 PRO 98 14.098 -27.804 -0.356 1.00 36.35 ATOM 1640 HD2 PRO 98 12.743 -28.212 0.708 1.00 31.33 ATOM 1641 C PRO 98 13.890 -25.555 3.343 1.00 63.34 ATOM 1642 O PRO 98 12.727 -25.897 3.557 1.00 31.43 ATOM 1643 N THR 99 14.611 -24.858 4.215 1.00 22.25 ATOM 1644 HN THR 99 15.527 -24.607 3.972 1.00 36.35 ATOM 1645 CA THR 99 14.065 -24.448 5.503 1.00 41.11 ATOM 1646 HA THR 99 13.415 -25.234 5.872 1.00 74.32 ATOM 1647 CB THR 99 15.181 -24.232 6.543 1.00 15.01 ATOM 1648 HB THR 99 15.669 -25.179 6.726 1.00 51.33 ATOM 1649 OG1 THR 99 14.620 -23.748 7.769 1.00 63.21 ATOM 1650 HG1 THR 99 15.200 -23.973 8.501 1.00 75.43 ATOM 1651 CG2 THR 99 16.217 -23.244 6.028 1.00 35.05 ATOM 1652 HG21 THR 99 16.778 -23.688 5.222 1.00 41.45 ATOM 1653 HG22 THR 99 16.895 -22.997 6.831 1.00 2.31 ATOM 1654 HG23 THR 99 15.741 -22.339 5.681 1.00 13.10 ATOM 1655 C THR 99 13.253 -23.165 5.372 1.00 52.32 ATOM 1656 O THR 99 12.740 -22.640 6.360 1.00 11.31 ATOM 1657 N SER 100 13.139 -22.664 4.146 1.00 70.44 ATOM 1658 HN SER 100 13.574 -23.096 3.389 1.00 36.35 ATOM 1659 CA SER 100 12.391 -21.440 3.886 1.00 52.00 ATOM 1660 HA SER 100 12.544 -20.758 4.715 1.00 14.40 ATOM 1661 CB SER 100 12.896 -20.770 2.607 1.00 60.13 ATOM 1662 HB1 SER 100 12.424 -21.212 1.738 1.00 36.35 ATOM 1663 HB2 SER 100 13.967 -20.904 2.533 1.00 20.12 ATOM 1664 OG SER 100 12.626 -19.379 2.619 1.00 44.03 ATOM 1665 HG SER 100 11.713 -19.225 2.363 1.00 14.41 ATOM 1666 C SER 100 10.898 -21.731 3.766 1.00 51.31 ATOM 1667 O SER 100 10.070 -20.821 3.832 1.00 63.32 ATOM 1668 N ILE 101 10.562 -23.004 3.589 1.00 30.04 ATOM 1669 HN ILE 101 11.261 -23.688 3.558 1.00 36.35 ATOM 1670 CA ILE 101 9.170 -23.415 3.461 1.00 35.41 ATOM 1671 HA ILE 101 8.801 -23.029 2.517 1.00 55.43 ATOM 1672 CB ILE 101 9.036 -24.950 3.439 1.00 55.50 ATOM 1673 HB ILE 101 9.428 -25.328 4.363 1.00 3.34 ATOM 1674 CG1 ILE 101 9.845 -25.537 2.281 1.00 31.32 ATOM 1675 HG11 ILE 101 10.786 -25.023 2.184 1.00 36.35 ATOM 1676 HG12 ILE 101 9.295 -25.424 1.357 1.00 11.30 ATOM 1677 CG2 ILE 101 7.573 -25.352 3.328 1.00 55.23 ATOM 1678 HG21 ILE 101 7.128 -24.876 2.465 1.00 13.13 ATOM 1679 HG22 ILE 101 7.039 -25.058 4.216 1.00 51.20 ATOM 1680 HG23 ILE 101 7.497 -26.425 3.218 1.00 13.20 ATOM 1681 CD1 ILE 101 10.160 -27.007 2.449 1.00 32.31 ATOM 1682 HD11 ILE 101 10.666 -27.378 1.573 1.00 70.24 ATOM 1683 HD12 ILE 101 9.247 -27.550 2.586 1.00 55.54 ATOM 1684 HD13 ILE 101 10.784 -27.150 3.314 1.00 74.24 ATOM 1685 C ILE 101 8.325 -22.859 4.602 1.00 14.10 ATOM 1686 O ILE 101 8.579 -23.141 5.773 1.00 31.15 ATOM 1687 N THR 102 7.316 -22.067 4.252 1.00 15.03 ATOM 1688 HN THR 102 7.161 -21.873 3.297 1.00 36.35 ATOM 1689 CA THR 102 6.432 -21.471 5.246 1.00 12.01 ATOM 1690 HA THR 102 7.007 -20.755 5.817 1.00 12.12 ATOM 1691 CB THR 102 5.257 -20.729 4.581 1.00 62.24 ATOM 1692 HB THR 102 4.704 -21.419 3.964 1.00 43.23 ATOM 1693 OG1 THR 102 5.752 -19.676 3.746 1.00 25.04 ATOM 1694 HG1 THR 102 6.268 -19.040 4.259 1.00 44.44 ATOM 1695 CG2 THR 102 4.317 -20.153 5.629 1.00 63.30 ATOM 1696 HG21 THR 102 3.664 -19.432 5.159 1.00 43.22 ATOM 1697 HG22 THR 102 4.884 -19.663 6.410 1.00 40.21 ATOM 1698 HG23 THR 102 3.718 -20.943 6.058 1.00 20.12 ATOM 1699 C THR 102 5.878 -22.528 6.194 1.00 23.54 ATOM 1700 O THR 102 6.295 -22.620 7.349 1.00 11.51 ATOM 1701 N SER 103 4.938 -23.327 5.699 1.00 12.43 ATOM 1702 HN SER 103 4.681 -23.260 4.753 1.00 36.35 ATOM 1703 CA SER 103 4.325 -24.377 6.504 1.00 12.43 ATOM 1704 HA SER 103 4.383 -24.099 7.550 1.00 21.11 ATOM 1705 CB SER 103 2.850 -24.539 6.132 1.00 51.14 ATOM 1706 HB1 SER 103 2.361 -23.577 6.183 1.00 36.35 ATOM 1707 HB2 SER 103 2.378 -25.216 6.822 1.00 53.12 ATOM 1708 OG SER 103 2.709 -25.054 4.819 1.00 23.51 ATOM 1709 HG SER 103 2.819 -24.345 4.180 1.00 61.21 ATOM 1710 C SER 103 5.057 -25.702 6.317 1.00 1.12 ATOM 1711 O SER 103 4.463 -26.700 5.912 1.00 73.24 ATOM 1712 N ALA 104 6.352 -25.702 6.616 1.00 20.52 ATOM 1713 HN ALA 104 6.769 -24.883 6.965 1.00 36.35 ATOM 1714 CA ALA 104 7.166 -26.904 6.483 1.00 22.24 ATOM 1715 HA ALA 104 6.970 -27.346 5.513 1.00 25.43 ATOM 1716 CB ALA 104 8.645 -26.549 6.542 1.00 74.24 ATOM 1717 HB1 ALA 104 8.779 -25.508 6.299 1.00 54.32 ATOM 1718 HB2 ALA 104 9.181 -27.149 5.823 1.00 2.34 ATOM 1719 HB3 ALA 104 9.053 -26.733 7.527 1.00 0.21 ATOM 1720 C ALA 104 6.822 -27.923 7.565 1.00 52.13 ATOM 1721 O ALA 104 6.340 -29.016 7.270 1.00 64.32 ATOM 1722 N ALA 105 7.072 -27.557 8.817 1.00 4.34 ATOM 1723 HN ALA 105 7.444 -26.660 8.994 1.00 36.35 ATOM 1724 CA ALA 105 6.787 -28.439 9.943 1.00 45.55 ATOM 1725 HA ALA 105 7.339 -29.357 9.804 1.00 62.01 ATOM 1726 CB ALA 105 7.258 -27.804 11.243 1.00 40.12 ATOM 1727 HB1 ALA 105 6.835 -26.813 11.325 1.00 5.54 ATOM 1728 HB2 ALA 105 8.333 -27.730 11.238 1.00 60.44 ATOM 1729 HB3 ALA 105 6.941 -28.392 12.082 1.00 75.32 ATOM 1730 C ALA 105 5.300 -28.767 10.020 1.00 44.13 ATOM 1731 O ALA 105 4.913 -29.823 10.521 1.00 53.42 ATOM 1732 N PHE 106 4.471 -27.856 9.521 1.00 3.12 ATOM 1733 HN PHE 106 4.829 -27.018 9.150 1.00 36.35 ATOM 1734 CA PHE 106 3.026 -28.048 9.535 1.00 31.34 ATOM 1735 HA PHE 106 2.755 -28.443 10.500 1.00 42.33 ATOM 1736 CB PHE 106 2.310 -26.715 9.310 1.00 43.24 ATOM 1737 HB1 PHE 106 1.968 -26.651 8.285 1.00 36.35 ATOM 1738 HB2 PHE 106 3.003 -25.900 9.487 1.00 32.30 ATOM 1739 CG PHE 106 1.127 -26.510 10.211 1.00 15.41 ATOM 1740 CD1 PHE 106 -0.153 -26.816 9.777 1.00 20.40 ATOM 1741 HD1 PHE 106 -0.300 -27.209 8.780 1.00 23.41 ATOM 1742 CD2 PHE 106 1.293 -26.009 11.492 1.00 23.34 ATOM 1743 HD2 PHE 106 2.286 -25.765 11.846 1.00 61.04 ATOM 1744 CE1 PHE 106 -1.244 -26.629 10.604 1.00 35.11 ATOM 1745 HE1 PHE 106 -2.236 -26.871 10.253 1.00 53.13 ATOM 1746 CE2 PHE 106 0.206 -25.820 12.324 1.00 32.30 ATOM 1747 HE2 PHE 106 0.350 -25.429 13.320 1.00 31.23 ATOM 1748 CZ PHE 106 -1.065 -26.129 11.879 1.00 22.40 ATOM 1749 HZ PHE 106 -1.916 -25.982 12.527 1.00 1.00 ATOM 1750 C PHE 106 2.600 -29.054 8.469 1.00 5.52 ATOM 1751 O PHE 106 1.815 -29.964 8.735 1.00 23.32 ATOM 1752 N THR 107 3.124 -28.881 7.259 1.00 23.44 ATOM 1753 HN THR 107 3.748 -28.133 7.102 1.00 36.35 ATOM 1754 CA THR 107 2.799 -29.771 6.152 1.00 54.01 ATOM 1755 HA THR 107 1.721 -29.877 6.104 1.00 51.35 ATOM 1756 CB THR 107 3.280 -29.194 4.807 1.00 1.24 ATOM 1757 HB THR 107 4.349 -29.035 4.863 1.00 42.53 ATOM 1758 OG1 THR 107 2.632 -27.943 4.551 1.00 74.11 ATOM 1759 HG1 THR 107 3.277 -27.231 4.570 1.00 24.11 ATOM 1760 CG2 THR 107 2.994 -30.162 3.669 1.00 1.14 ATOM 1761 HG21 THR 107 1.977 -30.526 3.738 1.00 74.33 ATOM 1762 HG22 THR 107 3.682 -30.994 3.709 1.00 74.15 ATOM 1763 HG23 THR 107 3.120 -29.646 2.728 1.00 12.21 ATOM 1764 C THR 107 3.420 -31.149 6.352 1.00 11.51 ATOM 1765 O THR 107 2.830 -32.166 5.986 1.00 64.14 ATOM 1766 N LEU 108 4.613 -31.175 6.936 1.00 33.12 ATOM 1767 HN LEU 108 5.047 -30.330 7.197 1.00 36.35 ATOM 1768 CA LEU 108 5.314 -32.429 7.186 1.00 24.43 ATOM 1769 HA LEU 108 5.417 -32.952 6.244 1.00 44.43 ATOM 1770 CB LEU 108 6.708 -32.153 7.753 1.00 11.34 ATOM 1771 HB1 LEU 108 7.114 -33.082 8.126 1.00 36.35 ATOM 1772 HB2 LEU 108 6.583 -31.482 8.593 1.00 41.44 ATOM 1773 CG LEU 108 7.721 -31.549 6.780 1.00 20.20 ATOM 1774 HG LEU 108 7.229 -30.828 6.159 1.00 63.45 ATOM 1775 CD1 LEU 108 8.829 -30.834 7.538 1.00 70.41 ATOM 1776 HD11 LEU 108 8.530 -30.638 8.558 1.00 71.22 ATOM 1777 HD12 LEU 108 9.022 -29.894 7.057 1.00 20.53 ATOM 1778 HD13 LEU 108 9.734 -31.428 7.548 1.00 33.54 ATOM 1779 CD2 LEU 108 8.300 -32.628 5.877 1.00 44.15 ATOM 1780 HD21 LEU 108 8.995 -32.182 5.179 1.00 33.22 ATOM 1781 HD22 LEU 108 7.502 -33.106 5.326 1.00 13.13 ATOM 1782 HD23 LEU 108 8.816 -33.367 6.475 1.00 11.03 ATOM 1783 C LEU 108 4.527 -33.311 8.150 1.00 73.21 ATOM 1784 O LEU 108 4.354 -34.507 7.912 1.00 13.24 ATOM 1785 N ARG 109 4.050 -32.713 9.236 1.00 12.34 ATOM 1786 HN ARG 109 4.228 -31.752 9.377 1.00 36.35 ATOM 1787 CA ARG 109 3.279 -33.443 10.235 1.00 23.43 ATOM 1788 HA ARG 109 3.901 -34.226 10.636 1.00 21.44 ATOM 1789 CB ARG 109 2.860 -32.508 11.371 1.00 30.52 ATOM 1790 HB1 ARG 109 2.459 -31.602 10.939 1.00 36.35 ATOM 1791 HB2 ARG 109 3.739 -32.262 11.953 1.00 2.35 ATOM 1792 CG ARG 109 1.806 -33.103 12.291 1.00 2.45 ATOM 1793 HG1 ARG 109 2.070 -34.128 12.520 1.00 36.35 ATOM 1794 HG2 ARG 109 0.847 -33.082 11.793 1.00 32.33 ATOM 1795 CD ARG 109 1.703 -32.326 13.595 1.00 51.23 ATOM 1796 HD1 ARG 109 2.639 -31.837 13.824 1.00 36.35 ATOM 1797 HD2 ARG 109 1.481 -33.031 14.377 1.00 31.22 ATOM 1798 NE ARG 109 0.619 -31.348 13.564 1.00 13.34 ATOM 1799 HE ARG 109 -0.251 -31.633 13.891 1.00 72.13 ATOM 1800 CZ ARG 109 0.758 -30.111 13.101 1.00 13.41 ATOM 1801 NH1 ARG 109 1.929 -29.703 12.631 1.00 15.33 ATOM 1802 HH11 ARG 109 2.724 -30.289 12.613 1.00 51.31 ATOM 1803 HH12 ARG 109 2.018 -28.763 12.306 1.00 42.02 ATOM 1804 NH2 ARG 109 -0.276 -29.279 13.107 1.00 50.34 ATOM 1805 HH21 ARG 109 -1.165 -29.577 13.454 1.00 53.33 ATOM 1806 HH22 ARG 109 -0.168 -28.364 12.767 1.00 54.01 ATOM 1807 C ARG 109 2.045 -34.084 9.608 1.00 72.33 ATOM 1808 O ARG 109 1.820 -35.288 9.742 1.00 51.34 ATOM 1809 N THR 110 1.246 -33.272 8.922 1.00 2.12 ATOM 1810 HN THR 110 1.481 -32.316 8.845 1.00 36.35 ATOM 1811 CA THR 110 0.034 -33.758 8.276 1.00 61.34 ATOM 1812 HA THR 110 -0.581 -34.239 9.028 1.00 42.44 ATOM 1813 CB THR 110 -0.777 -32.602 7.660 1.00 62.40 ATOM 1814 HB THR 110 -0.163 -32.099 6.924 1.00 24.54 ATOM 1815 OG1 THR 110 -1.144 -31.665 8.678 1.00 4.31 ATOM 1816 HG1 THR 110 -0.402 -31.083 8.864 1.00 2.34 ATOM 1817 CG2 THR 110 -2.028 -33.126 6.971 1.00 0.10 ATOM 1818 HG21 THR 110 -2.692 -32.299 6.769 1.00 70.52 ATOM 1819 HG22 THR 110 -2.534 -33.840 7.608 1.00 45.03 ATOM 1820 HG23 THR 110 -1.761 -33.600 6.038 1.00 31.24 ATOM 1821 C THR 110 0.362 -34.772 7.185 1.00 55.42 ATOM 1822 O THR 110 -0.183 -35.875 7.168 1.00 65.33 ATOM 1823 N GLN 111 1.254 -34.389 6.277 1.00 73.31 ATOM 1824 HN GLN 111 1.653 -33.490 6.344 1.00 36.35 ATOM 1825 CA GLN 111 1.653 -35.266 5.182 1.00 30.14 ATOM 1826 HA GLN 111 0.782 -35.464 4.591 1.00 51.31 ATOM 1827 CB GLN 111 2.733 -34.596 4.332 1.00 42.41 ATOM 1828 HB1 GLN 111 3.220 -35.346 3.720 1.00 36.35 ATOM 1829 HB2 GLN 111 3.471 -34.152 4.977 1.00 61.22 ATOM 1830 CG GLN 111 2.194 -33.527 3.395 1.00 12.44 ATOM 1831 HG1 GLN 111 2.995 -33.190 2.755 1.00 36.35 ATOM 1832 HG2 GLN 111 1.830 -32.700 3.980 1.00 70.52 ATOM 1833 CD GLN 111 1.059 -34.031 2.526 1.00 12.11 ATOM 1834 OE1 GLN 111 0.933 -35.232 2.284 1.00 43.30 ATOM 1835 NE2 GLN 111 0.224 -33.114 2.051 1.00 1.11 ATOM 1836 HE21 GLN 111 0.372 -32.168 2.277 1.00 73.55 ATOM 1837 HE22 GLN 111 -0.516 -33.421 1.487 1.00 42.30 ATOM 1838 C GLN 111 2.163 -36.602 5.713 1.00 2.34 ATOM 1839 O GLN 111 1.923 -37.651 5.116 1.00 61.11 ATOM 1840 N TYR 112 2.868 -36.555 6.838 1.00 2.11 ATOM 1841 HN TYR 112 3.036 -35.686 7.274 1.00 36.35 ATOM 1842 CA TYR 112 3.415 -37.761 7.448 1.00 30.21 ATOM 1843 HA TYR 112 3.878 -38.358 6.671 1.00 60.25 ATOM 1844 CB TYR 112 4.481 -37.397 8.482 1.00 5.52 ATOM 1845 HB1 TYR 112 4.079 -36.641 9.144 1.00 36.35 ATOM 1846 HB2 TYR 112 5.339 -36.987 7.971 1.00 72.30 ATOM 1847 CG TYR 112 4.934 -38.568 9.324 1.00 10.03 ATOM 1848 CD1 TYR 112 4.258 -38.914 10.488 1.00 4.13 ATOM 1849 HD1 TYR 112 3.401 -38.334 10.796 1.00 71.30 ATOM 1850 CD2 TYR 112 6.037 -39.328 8.957 1.00 62.22 ATOM 1851 HD2 TYR 112 6.575 -39.086 8.068 1.00 54.15 ATOM 1852 CE1 TYR 112 4.669 -39.983 11.261 1.00 15.13 ATOM 1853 HE1 TYR 112 4.128 -40.244 12.152 1.00 55.32 ATOM 1854 CE2 TYR 112 6.454 -40.400 9.723 1.00 55.32 ATOM 1855 HE2 TYR 112 7.307 -40.976 9.418 1.00 23.11 ATOM 1856 CZ TYR 112 5.766 -40.723 10.874 1.00 22.01 ATOM 1857 OH TYR 112 6.179 -41.789 11.641 1.00 54.23 ATOM 1858 HH TYR 112 6.986 -41.560 12.111 1.00 72.13 ATOM 1859 C TYR 112 2.313 -38.586 8.106 1.00 23.14 ATOM 1860 O TYR 112 2.103 -39.749 7.762 1.00 41.43 ATOM 1861 N MET 113 1.613 -37.975 9.056 1.00 54.21 ATOM 1862 HN MET 113 1.832 -37.043 9.290 1.00 36.35 ATOM 1863 CA MET 113 0.531 -38.651 9.762 1.00 33.31 ATOM 1864 HA MET 113 0.951 -39.496 10.279 1.00 75.34 ATOM 1865 CB MET 113 -0.104 -37.710 10.788 1.00 73.33 ATOM 1866 HB1 MET 113 -0.774 -37.029 10.276 1.00 36.35 ATOM 1867 HB2 MET 113 0.683 -37.132 11.257 1.00 11.41 ATOM 1868 CG MET 113 -0.863 -38.434 11.888 1.00 15.00 ATOM 1869 HG1 MET 113 -0.200 -38.623 12.708 1.00 36.35 ATOM 1870 HG2 MET 113 -1.233 -39.378 11.509 1.00 11.50 ATOM 1871 SD MET 113 -2.273 -37.489 12.497 1.00 52.34 ATOM 1872 CE MET 113 -1.490 -35.926 12.888 1.00 63.31 ATOM 1873 HE1 MET 113 -0.648 -36.098 13.542 1.00 31.11 ATOM 1874 HE2 MET 113 -2.202 -35.282 13.381 1.00 21.41 ATOM 1875 HE3 MET 113 -1.149 -35.454 11.978 1.00 44.45 ATOM 1876 C MET 113 -0.530 -39.147 8.785 1.00 71.35 ATOM 1877 O MET 113 -1.310 -40.046 9.102 1.00 50.53 ATOM 1878 N LYS 114 -0.554 -38.556 7.595 1.00 71.54 ATOM 1879 HN LYS 114 0.032 -37.792 7.414 1.00 36.35 ATOM 1880 CA LYS 114 -1.518 -38.938 6.570 1.00 72.34 ATOM 1881 HA LYS 114 -2.512 -38.813 6.982 1.00 71.20 ATOM 1882 CB LYS 114 -1.361 -38.047 5.335 1.00 33.24 ATOM 1883 HB1 LYS 114 -1.488 -38.647 4.442 1.00 36.35 ATOM 1884 HB2 LYS 114 -0.374 -37.623 5.323 1.00 32.54 ATOM 1885 CG LYS 114 -2.361 -36.905 5.279 1.00 70.12 ATOM 1886 HG1 LYS 114 -2.212 -36.260 6.127 1.00 36.35 ATOM 1887 HG2 LYS 114 -3.362 -37.314 5.319 1.00 41.50 ATOM 1888 CD LYS 114 -2.206 -36.091 4.005 1.00 32.01 ATOM 1889 HD1 LYS 114 -1.172 -35.809 3.880 1.00 36.35 ATOM 1890 HD2 LYS 114 -2.811 -35.200 4.093 1.00 1.44 ATOM 1891 CE LYS 114 -2.656 -36.877 2.783 1.00 31.02 ATOM 1892 HE1 LYS 114 -3.397 -37.614 3.070 1.00 36.35 ATOM 1893 HE2 LYS 114 -1.803 -37.375 2.364 1.00 25.14 ATOM 1894 NZ LYS 114 -3.247 -35.992 1.741 1.00 20.22 ATOM 1895 HZ1 LYS 114 -2.547 -35.288 1.424 1.00 32.12 ATOM 1896 HZ2 LYS 114 -4.079 -35.493 2.119 1.00 41.12 ATOM 1897 HZ3 LYS 114 -3.544 -36.559 0.921 1.00 22.12 ATOM 1898 C LYS 114 -1.345 -40.402 6.178 1.00 62.31 ATOM 1899 O LYS 114 -2.306 -41.172 6.173 1.00 52.52 ATOM 1900 N TYR 115 -0.114 -40.781 5.852 1.00 10.10 ATOM 1901 HN TYR 115 0.623 -40.127 5.884 1.00 36.35 ATOM 1902 CA TYR 115 0.185 -42.153 5.458 1.00 14.43 ATOM 1903 HA TYR 115 -0.741 -42.683 5.272 1.00 71.15 ATOM 1904 CB TYR 115 1.009 -42.168 4.170 1.00 4.42 ATOM 1905 HB1 TYR 115 1.144 -43.172 3.829 1.00 36.35 ATOM 1906 HB2 TYR 115 1.988 -41.751 4.384 1.00 3.45 ATOM 1907 CG TYR 115 0.404 -41.347 3.054 1.00 71.01 ATOM 1908 CD1 TYR 115 -0.384 -41.942 2.076 1.00 31.54 ATOM 1909 HD1 TYR 115 -0.571 -42.997 2.121 1.00 74.32 ATOM 1910 CD2 TYR 115 0.620 -39.977 2.976 1.00 42.12 ATOM 1911 HD2 TYR 115 1.230 -39.498 3.724 1.00 10.21 ATOM 1912 CE1 TYR 115 -0.939 -41.197 1.054 1.00 21.11 ATOM 1913 HE1 TYR 115 -1.549 -41.679 0.304 1.00 2.34 ATOM 1914 CE2 TYR 115 0.068 -39.223 1.958 1.00 23.41 ATOM 1915 HE2 TYR 115 0.247 -38.159 1.916 1.00 74.21 ATOM 1916 CZ TYR 115 -0.710 -39.838 1.000 1.00 53.14 ATOM 1917 OH TYR 115 -1.261 -39.091 -0.017 1.00 23.04 ATOM 1918 HH TYR 115 -2.207 -38.991 0.126 1.00 23.54 ATOM 1919 C TYR 115 0.936 -42.886 6.565 1.00 1.22 ATOM 1920 O TYR 115 0.532 -43.967 6.996 1.00 42.04 ATOM 1921 N LEU 116 2.032 -42.290 7.022 1.00 14.45 ATOM 1922 HN LEU 116 2.300 -41.416 6.648 1.00 36.35 ATOM 1923 CA LEU 116 2.841 -42.884 8.080 1.00 23.04 ATOM 1924 HA LEU 116 2.832 -43.962 7.950 1.00 20.11 ATOM 1925 CB LEU 116 4.289 -42.403 7.973 1.00 64.24 ATOM 1926 HB1 LEU 116 4.888 -42.965 8.678 1.00 36.35 ATOM 1927 HB2 LEU 116 4.311 -41.359 8.265 1.00 15.34 ATOM 1928 CG LEU 116 4.933 -42.517 6.590 1.00 24.54 ATOM 1929 HG LEU 116 4.295 -42.043 5.859 1.00 71.14 ATOM 1930 CD1 LEU 116 6.276 -41.803 6.566 1.00 33.12 ATOM 1931 HD11 LEU 116 6.878 -42.119 7.402 1.00 31.33 ATOM 1932 HD12 LEU 116 6.112 -40.739 6.626 1.00 74.44 ATOM 1933 HD13 LEU 116 6.797 -42.026 5.643 1.00 24.20 ATOM 1934 CD2 LEU 116 5.097 -43.978 6.198 1.00 65.45 ATOM 1935 HD21 LEU 116 4.125 -44.439 6.149 1.00 61.44 ATOM 1936 HD22 LEU 116 5.705 -44.490 6.931 1.00 34.13 ATOM 1937 HD23 LEU 116 5.571 -44.045 5.228 1.00 30.51 ATOM 1938 C LEU 116 2.280 -42.538 9.456 1.00 54.23 ATOM 1939 O LEU 116 2.124 -41.365 9.797 1.00 43.13 ATOM 1940 N TYR 117 1.979 -43.565 10.242 1.00 72.42 ATOM 1941 HN TYR 117 2.193 -44.479 9.939 1.00 36.35 ATOM 1942 CA TYR 117 1.434 -43.370 11.580 1.00 23.02 ATOM 1943 HA TYR 117 2.180 -42.861 12.174 1.00 51.42 ATOM 1944 CB TYR 117 0.174 -42.506 11.520 1.00 51.44 ATOM 1945 HB1 TYR 117 -0.333 -42.629 10.578 1.00 36.35 ATOM 1946 HB2 TYR 117 0.479 -41.472 11.606 1.00 70.12 ATOM 1947 CG TYR 117 -0.793 -42.765 12.653 1.00 52.14 ATOM 1948 CD1 TYR 117 -2.119 -43.093 12.398 1.00 14.35 ATOM 1949 HD1 TYR 117 -2.464 -43.157 11.377 1.00 13.02 ATOM 1950 CD2 TYR 117 -0.381 -42.681 13.977 1.00 74.22 ATOM 1951 HD2 TYR 117 0.647 -42.426 14.196 1.00 14.12 ATOM 1952 CE1 TYR 117 -3.007 -43.330 13.430 1.00 1.23 ATOM 1953 HE1 TYR 117 -4.034 -43.584 13.211 1.00 11.40 ATOM 1954 CE2 TYR 117 -1.262 -42.918 15.015 1.00 65.11 ATOM 1955 HE2 TYR 117 -0.922 -42.849 16.038 1.00 52.31 ATOM 1956 CZ TYR 117 -2.573 -43.242 14.737 1.00 51.23 ATOM 1957 OH TYR 117 -3.453 -43.477 15.768 1.00 72.10 ATOM 1958 HH TYR 117 -3.644 -44.418 15.827 1.00 60.11 ATOM 1959 C TYR 117 1.115 -44.708 12.239 1.00 24.53 ATOM 1960 O TYR 117 1.626 -45.040 13.310 1.00 72.05 ATOM 1961 N PRO 118 0.251 -45.498 11.585 1.00 15.30 ATOM 1962 CA PRO 118 -0.156 -46.814 12.087 1.00 11.40 ATOM 1963 HA PRO 118 -0.527 -46.755 13.100 1.00 31.44 ATOM 1964 CB PRO 118 -1.294 -47.216 11.146 1.00 61.34 ATOM 1965 HB1 PRO 118 -2.234 -46.913 11.581 1.00 36.35 ATOM 1966 HB2 PRO 118 -1.303 -48.283 10.986 1.00 43.32 ATOM 1967 CG PRO 118 -1.027 -46.466 9.886 1.00 33.05 ATOM 1968 HG1 PRO 118 -1.955 -46.281 9.366 1.00 36.35 ATOM 1969 HG2 PRO 118 -0.350 -47.024 9.258 1.00 73.32 ATOM 1970 CD PRO 118 -0.397 -45.167 10.304 1.00 3.54 ATOM 1971 HD1 PRO 118 -1.164 -44.442 10.419 1.00 36.35 ATOM 1972 HD2 PRO 118 0.301 -44.862 9.554 1.00 30.13 ATOM 1973 C PRO 118 0.975 -47.834 12.022 1.00 4.20 ATOM 1974 O PRO 118 1.083 -48.711 12.879 1.00 4.14 ATOM 1975 N TYR 119 1.816 -47.713 11.001 1.00 24.20 ATOM 1976 HN TYR 119 1.680 -46.996 10.339 1.00 36.35 ATOM 1977 CA TYR 119 2.939 -48.626 10.823 1.00 30.55 ATOM 1978 HA TYR 119 2.583 -49.638 10.919 1.00 62.31 ATOM 1979 CB TYR 119 3.554 -48.448 9.435 1.00 42.25 ATOM 1980 HB1 TYR 119 3.968 -47.449 9.354 1.00 36.35 ATOM 1981 HB2 TYR 119 2.773 -48.559 8.694 1.00 25.23 ATOM 1982 CG TYR 119 4.644 -49.448 9.122 1.00 72.44 ATOM 1983 CD1 TYR 119 5.984 -49.119 9.283 1.00 71.30 ATOM 1984 HD1 TYR 119 6.247 -48.132 9.638 1.00 4.13 ATOM 1985 CD2 TYR 119 4.333 -50.723 8.665 1.00 33.53 ATOM 1986 HD2 TYR 119 3.308 -50.997 8.536 1.00 3.03 ATOM 1987 CE1 TYR 119 6.982 -50.030 8.997 1.00 25.25 ATOM 1988 HE1 TYR 119 8.013 -49.760 9.136 1.00 74.32 ATOM 1989 CE2 TYR 119 5.325 -51.641 8.379 1.00 73.42 ATOM 1990 HE2 TYR 119 5.062 -52.627 8.026 1.00 43.21 ATOM 1991 CZ TYR 119 6.648 -51.290 8.546 1.00 51.20 ATOM 1992 OH TYR 119 7.640 -52.200 8.262 1.00 73.52 ATOM 1993 HH TYR 119 8.028 -52.526 9.080 1.00 24.42 ATOM 1994 C TYR 119 4.001 -48.400 11.895 1.00 13.43 ATOM 1995 O TYR 119 4.575 -49.350 12.426 1.00 41.24 ATOM 1996 N GLU 120 4.255 -47.133 12.209 1.00 53.23 ATOM 1997 HN GLU 120 3.768 -46.410 11.748 1.00 36.35 ATOM 1998 CA GLU 120 5.247 -46.780 13.217 1.00 22.31 ATOM 1999 HA GLU 120 6.148 -47.344 13.023 1.00 63.13 ATOM 2000 CB GLU 120 5.572 -45.287 13.145 1.00 15.32 ATOM 2001 HB1 GLU 120 4.664 -44.731 13.344 1.00 36.35 ATOM 2002 HB2 GLU 120 5.911 -45.047 12.149 1.00 5.34 ATOM 2003 CG GLU 120 6.638 -44.847 14.134 1.00 33.04 ATOM 2004 HG1 GLU 120 7.588 -45.090 13.722 1.00 36.35 ATOM 2005 HG2 GLU 120 6.517 -45.360 15.074 1.00 11.41 ATOM 2006 CD GLU 120 6.594 -43.358 14.416 1.00 52.31 ATOM 2007 OE1 GLU 120 5.754 -42.934 15.238 1.00 71.53 ATOM 2008 OE2 GLU 120 7.398 -42.616 13.815 1.00 44.30 ATOM 2009 C GLU 120 4.753 -47.138 14.616 1.00 55.23 ATOM 2010 O GLU 120 5.534 -47.544 15.477 1.00 12.30 ATOM 2011 N CYS 121 3.451 -46.984 14.834 1.00 44.52 ATOM 2012 HN CYS 121 2.869 -46.652 14.111 1.00 36.35 ATOM 2013 CA CYS 121 2.852 -47.288 16.128 1.00 74.40 ATOM 2014 HA CYS 121 3.523 -46.937 16.893 1.00 34.02 ATOM 2015 CB CYS 121 1.513 -46.564 16.277 1.00 41.45 ATOM 2016 HB1 CYS 121 0.781 -47.013 15.619 1.00 36.35 ATOM 2017 HB2 CYS 121 1.644 -45.528 16.000 1.00 33.44 ATOM 2018 SG CYS 121 0.840 -46.592 17.955 1.00 65.24 ATOM 2019 HG CYS 121 1.559 -47.445 18.670 1.00 33.42 ATOM 2020 C CYS 121 2.651 -48.791 16.294 1.00 61.33 ATOM 2021 O CYS 121 2.676 -49.311 17.409 1.00 55.40 ATOM 2022 N GLU 122 2.451 -49.483 15.176 1.00 23.34 ATOM 2023 HN GLU 122 2.436 -49.021 14.307 1.00 36.35 ATOM 2024 CA GLU 122 2.244 -50.926 15.199 1.00 31.52 ATOM 2025 HA GLU 122 1.693 -51.175 16.098 1.00 64.50 ATOM 2026 CB GLU 122 1.425 -51.366 13.983 1.00 4.23 ATOM 2027 HB1 GLU 122 1.908 -51.001 13.089 1.00 36.35 ATOM 2028 HB2 GLU 122 0.438 -50.935 14.051 1.00 32.42 ATOM 2029 CG GLU 122 1.281 -52.873 13.859 1.00 21.22 ATOM 2030 HG1 GLU 122 2.220 -53.295 13.531 1.00 36.35 ATOM 2031 HG2 GLU 122 0.520 -53.083 13.127 1.00 21.14 ATOM 2032 CD GLU 122 0.872 -53.530 15.164 1.00 43.54 ATOM 2033 OE1 GLU 122 -0.190 -53.160 15.706 1.00 55.35 ATOM 2034 OE2 GLU 122 1.614 -54.412 15.643 1.00 64.15 ATOM 2035 C GLU 122 3.578 -51.668 15.223 1.00 54.50 ATOM 2036 O GLU 122 3.690 -52.750 15.799 1.00 12.33 ATOM 2037 N LYS 123 4.587 -51.077 14.592 1.00 30.20 ATOM 2038 HN LYS 123 4.447 -50.212 14.142 1.00 36.35 ATOM 2039 CA LYS 123 5.914 -51.679 14.540 1.00 41.21 ATOM 2040 HA LYS 123 5.811 -52.754 14.585 1.00 42.14 ATOM 2041 CB LYS 123 6.616 -51.303 13.233 1.00 2.31 ATOM 2042 HB1 LYS 123 7.643 -51.651 13.268 1.00 36.35 ATOM 2043 HB2 LYS 123 6.624 -50.230 13.139 1.00 22.02 ATOM 2044 CG LYS 123 5.958 -51.892 11.998 1.00 52.14 ATOM 2045 HG1 LYS 123 6.384 -51.426 11.141 1.00 36.35 ATOM 2046 HG2 LYS 123 4.896 -51.687 12.031 1.00 30.13 ATOM 2047 CD LYS 123 6.183 -53.392 11.907 1.00 10.14 ATOM 2048 HD1 LYS 123 6.179 -53.834 12.892 1.00 36.35 ATOM 2049 HD2 LYS 123 7.144 -53.565 11.446 1.00 23.43 ATOM 2050 CE LYS 123 5.104 -54.068 11.076 1.00 62.45 ATOM 2051 HE1 LYS 123 4.553 -53.328 10.508 1.00 36.35 ATOM 2052 HE2 LYS 123 4.427 -54.579 11.743 1.00 72.24 ATOM 2053 NZ LYS 123 5.678 -55.062 10.126 1.00 55.33 ATOM 2054 HZ1 LYS 123 6.338 -54.596 9.469 1.00 43.24 ATOM 2055 HZ2 LYS 123 4.917 -55.505 9.574 1.00 74.22 ATOM 2056 HZ3 LYS 123 6.189 -55.806 10.645 1.00 11.21 ATOM 2057 C LYS 123 6.760 -51.235 15.729 1.00 34.25 ATOM 2058 O LYS 123 7.549 -52.013 16.266 1.00 44.43 ATOM 2059 N ARG 124 6.588 -49.982 16.138 1.00 75.24 ATOM 2060 HN ARG 124 5.951 -49.394 15.675 1.00 36.35 ATOM 2061 CA ARG 124 7.335 -49.436 17.264 1.00 72.10 ATOM 2062 HA ARG 124 8.056 -50.172 17.603 1.00 33.43 ATOM 2063 CB ARG 124 8.088 -48.174 16.840 1.00 63.22 ATOM 2064 HB1 ARG 124 7.419 -47.334 16.790 1.00 36.35 ATOM 2065 HB2 ARG 124 8.499 -48.330 15.851 1.00 44.51 ATOM 2066 CG ARG 124 9.222 -47.797 17.779 1.00 22.12 ATOM 2067 HG1 ARG 124 8.912 -47.936 18.806 1.00 36.35 ATOM 2068 HG2 ARG 124 9.465 -46.774 17.607 1.00 64.22 ATOM 2069 CD ARG 124 10.465 -48.634 17.517 1.00 54.12 ATOM 2070 HD1 ARG 124 10.335 -49.232 16.623 1.00 36.35 ATOM 2071 HD2 ARG 124 10.606 -49.291 18.363 1.00 50.13 ATOM 2072 NE ARG 124 11.658 -47.807 17.356 1.00 14.02 ATOM 2073 HE ARG 124 11.539 -46.834 17.254 1.00 64.43 ATOM 2074 CZ ARG 124 12.893 -48.295 17.334 1.00 73.30 ATOM 2075 NH1 ARG 124 13.096 -49.599 17.461 1.00 71.31 ATOM 2076 HH11 ARG 124 12.337 -50.237 17.573 1.00 31.11 ATOM 2077 HH12 ARG 124 14.032 -49.957 17.445 1.00 50.44 ATOM 2078 NH2 ARG 124 13.928 -47.479 17.184 1.00 53.40 ATOM 2079 HH21 ARG 124 13.782 -46.492 17.087 1.00 64.03 ATOM 2080 HH22 ARG 124 14.861 -47.845 17.167 1.00 53.05 ATOM 2081 C ARG 124 6.404 -49.118 18.431 1.00 43.23 ATOM 2082 O ARG 124 6.459 -49.765 19.476 1.00 55.33 ATOM 2083 N GLY 125 5.551 -48.115 18.244 1.00 33.40 ATOM 2084 HN GLY 125 5.516 -47.645 17.384 1.00 36.35 ATOM 2085 CA GLY 125 4.621 -47.728 19.289 1.00 22.31 ATOM 2086 HA1 GLY 125 4.153 -48.612 19.704 1.00 36.35 ATOM 2087 HA2 GLY 125 3.855 -47.102 18.864 1.00 4.14 ATOM 2088 C GLY 125 5.295 -46.961 20.409 1.00 21.45 ATOM 2089 O GLY 125 5.137 -47.297 21.584 1.00 4.12 ATOM 2090 N LEU 126 6.050 -45.930 20.048 1.00 52.24 ATOM 2091 HN LEU 126 6.115 -45.697 19.091 1.00 36.35 ATOM 2092 CA LEU 126 6.752 -45.113 21.031 1.00 23.34 ATOM 2093 HA LEU 126 7.247 -45.773 21.733 1.00 44.43 ATOM 2094 CB LEU 126 7.811 -44.250 20.344 1.00 43.31 ATOM 2095 HB1 LEU 126 8.431 -43.820 21.120 1.00 36.35 ATOM 2096 HB2 LEU 126 7.297 -43.432 19.849 1.00 51.34 ATOM 2097 CG LEU 126 8.707 -44.965 19.332 1.00 50.12 ATOM 2098 HG LEU 126 8.316 -45.939 19.147 1.00 40.12 ATOM 2099 CD1 LEU 126 8.727 -44.212 18.011 1.00 54.04 ATOM 2100 HD11 LEU 126 8.782 -44.921 17.202 1.00 12.11 ATOM 2101 HD12 LEU 126 9.586 -43.564 17.956 1.00 23.54 ATOM 2102 HD13 LEU 126 7.828 -43.621 17.888 1.00 10.31 ATOM 2103 CD2 LEU 126 10.118 -45.117 19.882 1.00 74.10 ATOM 2104 HD21 LEU 126 10.732 -45.645 19.165 1.00 51.15 ATOM 2105 HD22 LEU 126 10.088 -45.679 20.805 1.00 21.43 ATOM 2106 HD23 LEU 126 10.544 -44.141 20.070 1.00 72.41 ATOM 2107 C LEU 126 5.777 -44.227 21.800 1.00 42.14 ATOM 2108 O LEU 126 5.920 -44.030 23.006 1.00 3.22 ATOM 2109 N SER 127 4.785 -43.697 21.092 1.00 15.44 ATOM 2110 HN SER 127 4.719 -43.870 20.126 1.00 36.35 ATOM 2111 CA SER 127 3.786 -42.830 21.707 1.00 0.22 ATOM 2112 HA SER 127 3.973 -42.762 22.771 1.00 43.23 ATOM 2113 CB SER 127 3.867 -41.422 21.113 1.00 34.23 ATOM 2114 HB1 SER 127 4.727 -40.912 21.521 1.00 36.35 ATOM 2115 HB2 SER 127 2.978 -40.871 21.354 1.00 73.41 ATOM 2116 OG SER 127 3.996 -41.470 19.703 1.00 72.41 ATOM 2117 HG SER 127 3.135 -41.621 19.304 1.00 55.22 ATOM 2118 C SER 127 2.382 -43.396 21.514 1.00 5.13 ATOM 2119 O SER 127 2.182 -44.339 20.751 1.00 74.33 ATOM 2120 N ASN 128 1.414 -42.812 22.213 1.00 5.21 ATOM 2121 HN ASN 128 1.630 -42.066 22.786 1.00 36.35 ATOM 2122 CA ASN 128 0.029 -43.258 22.120 1.00 10.41 ATOM 2123 HA ASN 128 0.015 -44.235 21.654 1.00 50.22 ATOM 2124 CB ASN 128 -0.582 -43.385 23.517 1.00 74.12 ATOM 2125 HB1 ASN 128 -1.210 -44.261 23.545 1.00 36.35 ATOM 2126 HB2 ASN 128 -1.186 -42.515 23.747 1.00 45.31 ATOM 2127 CG ASN 128 0.471 -43.542 24.597 1.00 54.22 ATOM 2128 OD1 ASN 128 1.072 -44.606 24.743 1.00 43.22 ATOM 2129 ND2 ASN 128 0.698 -42.479 25.360 1.00 34.21 ATOM 2130 HD21 ASN 128 0.188 -41.653 25.199 1.00 4.14 ATOM 2131 HD22 ASN 128 1.375 -42.561 26.064 1.00 52.43 ATOM 2132 C ASN 128 -0.798 -42.291 21.277 1.00 21.41 ATOM 2133 O ASN 128 -0.439 -41.129 21.089 1.00 1.21 ATOM 2134 N PRO 129 -1.933 -42.782 20.757 1.00 63.10 ATOM 2135 CA PRO 129 -2.835 -41.979 19.927 1.00 40.15 ATOM 2136 HA PRO 129 -2.311 -41.522 19.099 1.00 23.51 ATOM 2137 CB PRO 129 -3.837 -43.007 19.395 1.00 50.30 ATOM 2138 HB1 PRO 129 -3.503 -43.365 18.433 1.00 36.35 ATOM 2139 HB2 PRO 129 -4.823 -42.569 19.294 1.00 74.04 ATOM 2140 CG PRO 129 -3.826 -44.103 20.404 1.00 54.12 ATOM 2141 HG1 PRO 129 -4.084 -45.039 19.932 1.00 36.35 ATOM 2142 HG2 PRO 129 -4.522 -43.878 21.198 1.00 74.35 ATOM 2143 CD PRO 129 -2.423 -44.159 20.940 1.00 44.41 ATOM 2144 HD1 PRO 129 -1.829 -44.861 20.372 1.00 36.35 ATOM 2145 HD2 PRO 129 -2.449 -44.438 21.974 1.00 34.22 ATOM 2146 C PRO 129 -3.554 -40.899 20.728 1.00 21.45 ATOM 2147 O PRO 129 -4.159 -39.991 20.161 1.00 42.10 ATOM 2148 N ASN 130 -3.483 -41.005 22.051 1.00 21.54 ATOM 2149 HN ASN 130 -3.020 -41.763 22.462 1.00 36.35 ATOM 2150 CA ASN 130 -4.128 -40.038 22.932 1.00 44.45 ATOM 2151 HA ASN 130 -5.065 -39.730 22.478 1.00 42.12 ATOM 2152 CB ASN 130 -4.412 -40.668 24.296 1.00 30.22 ATOM 2153 HB1 ASN 130 -4.364 -39.908 25.068 1.00 36.35 ATOM 2154 HB2 ASN 130 -3.669 -41.424 24.511 1.00 30.21 ATOM 2155 CG ASN 130 -5.788 -41.301 24.365 1.00 73.41 ATOM 2156 OD1 ASN 130 -6.791 -40.614 24.559 1.00 51.04 ATOM 2157 ND2 ASN 130 -5.842 -42.619 24.206 1.00 1.33 ATOM 2158 HD21 ASN 130 -5.008 -43.119 24.054 1.00 53.21 ATOM 2159 HD22 ASN 130 -6.723 -43.047 24.247 1.00 10.15 ATOM 2160 C ASN 130 -3.258 -38.796 23.104 1.00 53.31 ATOM 2161 O ASN 130 -3.742 -37.669 23.002 1.00 51.01 ATOM 2162 N GLU 131 -1.973 -39.011 23.365 1.00 22.42 ATOM 2163 HN GLU 131 -1.659 -39.937 23.459 1.00 36.35 ATOM 2164 CA GLU 131 -1.037 -37.909 23.552 1.00 65.22 ATOM 2165 HA GLU 131 -1.454 -37.229 24.284 1.00 23.34 ATOM 2166 CB GLU 131 0.302 -38.431 24.077 1.00 24.41 ATOM 2167 HB1 GLU 131 0.147 -38.840 25.065 1.00 36.35 ATOM 2168 HB2 GLU 131 1.000 -37.605 24.149 1.00 13.20 ATOM 2169 CG GLU 131 0.916 -39.516 23.208 1.00 70.03 ATOM 2170 HG1 GLU 131 0.939 -39.192 22.181 1.00 36.35 ATOM 2171 HG2 GLU 131 0.316 -40.405 23.290 1.00 54.43 ATOM 2172 CD GLU 131 2.333 -39.862 23.620 1.00 24.34 ATOM 2173 OE1 GLU 131 2.579 -41.036 23.969 1.00 30.20 ATOM 2174 OE2 GLU 131 3.196 -38.960 23.595 1.00 24.42 ATOM 2175 C GLU 131 -0.822 -37.151 22.245 1.00 2.53 ATOM 2176 O GLU 131 -0.624 -35.935 22.245 1.00 11.33 ATOM 2177 N LEU 132 -0.861 -37.876 21.133 1.00 35.44 ATOM 2178 HN LEU 132 -1.001 -38.850 21.190 1.00 36.35 ATOM 2179 CA LEU 132 -0.671 -37.273 19.819 1.00 61.32 ATOM 2180 HA LEU 132 0.346 -36.928 19.760 1.00 33.01 ATOM 2181 CB LEU 132 -0.919 -38.308 18.720 1.00 33.33 ATOM 2182 HB1 LEU 132 -1.912 -38.712 18.867 1.00 36.35 ATOM 2183 HB2 LEU 132 -0.205 -39.111 18.852 1.00 14.15 ATOM 2184 CG LEU 132 -0.815 -37.799 17.282 1.00 23.13 ATOM 2185 HG LEU 132 -1.525 -37.011 17.138 1.00 1.32 ATOM 2186 CD1 LEU 132 0.580 -37.259 17.007 1.00 1.15 ATOM 2187 HD11 LEU 132 0.825 -36.478 17.711 1.00 53.33 ATOM 2188 HD12 LEU 132 0.613 -36.850 16.006 1.00 4.51 ATOM 2189 HD13 LEU 132 1.303 -38.058 17.085 1.00 73.43 ATOM 2190 CD2 LEU 132 -1.163 -38.906 16.298 1.00 54.11 ATOM 2191 HD21 LEU 132 -2.167 -39.259 16.490 1.00 35.23 ATOM 2192 HD22 LEU 132 -0.468 -39.727 16.410 1.00 31.15 ATOM 2193 HD23 LEU 132 -1.108 -38.524 15.288 1.00 43.42 ATOM 2194 C LEU 132 -1.600 -36.079 19.628 1.00 73.03 ATOM 2195 O LEU 132 -1.156 -34.984 19.286 1.00 4.54 ATOM 2196 N GLN 133 -2.892 -36.299 19.852 1.00 3.13 ATOM 2197 HN GLN 133 -3.188 -37.202 20.120 1.00 36.35 ATOM 2198 CA GLN 133 -3.883 -35.240 19.706 1.00 11.30 ATOM 2199 HA GLN 133 -3.912 -34.970 18.663 1.00 75.44 ATOM 2200 CB GLN 133 -5.261 -35.738 20.144 1.00 33.22 ATOM 2201 HB1 GLN 133 -5.295 -35.798 21.224 1.00 36.35 ATOM 2202 HB2 GLN 133 -5.417 -36.730 19.740 1.00 31.52 ATOM 2203 CG GLN 133 -6.405 -34.850 19.681 1.00 70.53 ATOM 2204 HG1 GLN 133 -6.215 -33.834 20.002 1.00 36.35 ATOM 2205 HG2 GLN 133 -7.319 -35.202 20.137 1.00 22.23 ATOM 2206 CD GLN 133 -6.584 -34.868 18.175 1.00 12.15 ATOM 2207 OE1 GLN 133 -7.321 -35.694 17.636 1.00 64.31 ATOM 2208 NE2 GLN 133 -5.910 -33.953 17.488 1.00 32.31 ATOM 2209 HE21 GLN 133 -5.336 -33.317 17.972 1.00 45.31 ATOM 2210 HE22 GLN 133 -6.012 -33.948 16.513 1.00 62.21 ATOM 2211 C GLN 133 -3.491 -34.011 20.520 1.00 32.01 ATOM 2212 O GLN 133 -3.467 -32.894 20.004 1.00 60.32 ATOM 2213 N ALA 134 -3.185 -34.225 21.796 1.00 75.34 ATOM 2214 HN ALA 134 -3.224 -35.145 22.154 1.00 36.35 ATOM 2215 CA ALA 134 -2.793 -33.136 22.681 1.00 52.44 ATOM 2216 HA ALA 134 -3.605 -32.421 22.717 1.00 32.32 ATOM 2217 CB ALA 134 -2.566 -33.657 24.092 1.00 65.45 ATOM 2218 HB1 ALA 134 -2.333 -32.833 24.752 1.00 55.34 ATOM 2219 HB2 ALA 134 -1.747 -34.363 24.092 1.00 22.51 ATOM 2220 HB3 ALA 134 -3.462 -34.150 24.439 1.00 34.11 ATOM 2221 C ALA 134 -1.541 -32.434 22.166 1.00 51.24 ATOM 2222 O ALA 134 -1.401 -31.218 22.297 1.00 22.43 ATOM 2223 N ALA 135 -0.633 -33.208 21.579 1.00 14.34 ATOM 2224 HN ALA 135 -0.789 -34.180 21.514 1.00 36.35 ATOM 2225 CA ALA 135 0.606 -32.660 21.044 1.00 44.43 ATOM 2226 HA ALA 135 1.126 -32.150 21.845 1.00 13.43 ATOM 2227 CB ALA 135 1.505 -33.780 20.542 1.00 4.01 ATOM 2228 HB1 ALA 135 2.435 -33.368 20.183 1.00 14.45 ATOM 2229 HB2 ALA 135 1.021 -34.307 19.739 1.00 1.31 ATOM 2230 HB3 ALA 135 1.708 -34.466 21.350 1.00 72.34 ATOM 2231 C ALA 135 0.327 -31.662 19.925 1.00 42.21 ATOM 2232 O ALA 135 0.840 -30.542 19.937 1.00 63.44 ATOM 2233 N ILE 136 -0.488 -32.075 18.960 1.00 44.41 ATOM 2234 HN ILE 136 -0.869 -32.985 19.005 1.00 36.35 ATOM 2235 CA ILE 136 -0.835 -31.216 17.834 1.00 25.03 ATOM 2236 HA ILE 136 0.083 -30.903 17.350 1.00 34.13 ATOM 2237 CB ILE 136 -1.696 -31.964 16.800 1.00 63.51 ATOM 2238 HB ILE 136 -2.583 -32.321 17.304 1.00 33.44 ATOM 2239 CG1 ILE 136 -0.916 -33.141 16.210 1.00 23.32 ATOM 2240 HG11 ILE 136 0.079 -33.177 16.632 1.00 36.35 ATOM 2241 HG12 ILE 136 -0.832 -33.037 15.141 1.00 41.43 ATOM 2242 CG2 ILE 136 -2.146 -31.015 15.699 1.00 24.42 ATOM 2243 HG21 ILE 136 -2.939 -30.381 16.066 1.00 44.23 ATOM 2244 HG22 ILE 136 -2.516 -31.580 14.852 1.00 32.42 ATOM 2245 HG23 ILE 136 -1.316 -30.402 15.382 1.00 72.31 ATOM 2246 CD1 ILE 136 -1.563 -34.484 16.466 1.00 71.20 ATOM 2247 HD11 ILE 136 -2.369 -34.401 17.182 1.00 52.35 ATOM 2248 HD12 ILE 136 -0.820 -35.136 16.855 1.00 30.23 ATOM 2249 HD13 ILE 136 -1.945 -34.885 15.539 1.00 13.05 ATOM 2250 C ILE 136 -1.586 -29.974 18.301 1.00 2.04 ATOM 2251 O ILE 136 -1.235 -28.851 17.940 1.00 44.24 ATOM 2252 N ASP 137 -2.620 -30.184 19.108 1.00 11.42 ATOM 2253 HN ASP 137 -2.858 -31.110 19.358 1.00 36.35 ATOM 2254 CA ASP 137 -3.420 -29.081 19.628 1.00 10.31 ATOM 2255 HA ASP 137 -3.927 -28.615 18.795 1.00 13.10 ATOM 2256 CB ASP 137 -4.466 -29.602 20.615 1.00 4.12 ATOM 2257 HB1 ASP 137 -3.977 -30.222 21.353 1.00 36.35 ATOM 2258 HB2 ASP 137 -5.193 -30.194 20.079 1.00 64.32 ATOM 2259 CG ASP 137 -5.195 -28.482 21.331 1.00 72.12 ATOM 2260 OD1 ASP 137 -5.685 -27.561 20.645 1.00 13.33 ATOM 2261 OD2 ASP 137 -5.275 -28.527 22.577 1.00 53.55 ATOM 2262 C ASP 137 -2.535 -28.040 20.308 1.00 61.54 ATOM 2263 O ASP 137 -2.658 -26.843 20.051 1.00 52.12 ATOM 2264 N SER 138 -1.643 -28.506 21.177 1.00 73.25 ATOM 2265 HN SER 138 -1.595 -29.478 21.345 1.00 36.35 ATOM 2266 CA SER 138 -0.741 -27.616 21.897 1.00 42.10 ATOM 2267 HA SER 138 -1.337 -26.994 22.550 1.00 44.41 ATOM 2268 CB SER 138 0.242 -28.427 22.744 1.00 72.34 ATOM 2269 HB1 SER 138 1.160 -28.605 22.198 1.00 36.35 ATOM 2270 HB2 SER 138 -0.199 -29.372 23.006 1.00 22.53 ATOM 2271 OG SER 138 0.553 -27.753 23.950 1.00 4.41 ATOM 2272 HG SER 138 1.219 -27.081 23.782 1.00 73.44 ATOM 2273 C SER 138 0.025 -26.719 20.929 1.00 53.20 ATOM 2274 O SER 138 0.355 -25.579 21.252 1.00 51.44 ATOM 2275 N ASN 139 0.303 -27.244 19.740 1.00 3.31 ATOM 2276 HN ASN 139 0.035 -28.166 19.537 1.00 36.35 ATOM 2277 CA ASN 139 1.030 -26.492 18.724 1.00 44.40 ATOM 2278 HA ASN 139 1.826 -25.938 19.211 1.00 50.33 ATOM 2279 CB ASN 139 1.640 -27.444 17.694 1.00 64.13 ATOM 2280 HB1 ASN 139 1.844 -26.908 16.775 1.00 36.35 ATOM 2281 HB2 ASN 139 0.953 -28.244 17.485 1.00 62.24 ATOM 2282 CG ASN 139 2.944 -28.055 18.171 1.00 13.23 ATOM 2283 OD1 ASN 139 3.979 -27.926 17.517 1.00 32.04 ATOM 2284 ND2 ASN 139 2.898 -28.724 19.317 1.00 23.51 ATOM 2285 HD21 ASN 139 2.055 -28.808 19.799 1.00 75.32 ATOM 2286 HD22 ASN 139 3.735 -29.117 19.641 1.00 13.15 ATOM 2287 C ASN 139 0.113 -25.491 18.028 1.00 42.14 ATOM 2288 O ASN 139 0.491 -24.342 17.798 1.00 4.14 ATOM 2289 N ARG 140 -1.094 -25.936 17.694 1.00 10.42 ATOM 2290 HN ARG 140 -1.344 -26.861 17.924 1.00 36.35 ATOM 2291 CA ARG 140 -2.065 -25.080 17.024 1.00 52.34 ATOM 2292 HA ARG 140 -1.604 -24.680 16.130 1.00 41.41 ATOM 2293 CB ARG 140 -3.297 -25.891 16.618 1.00 14.43 ATOM 2294 HB1 ARG 140 -3.897 -25.284 15.954 1.00 36.35 ATOM 2295 HB2 ARG 140 -3.878 -26.121 17.504 1.00 24.41 ATOM 2296 CG ARG 140 -2.963 -27.204 15.931 1.00 61.23 ATOM 2297 HG1 ARG 140 -3.044 -27.999 16.653 1.00 36.35 ATOM 2298 HG2 ARG 140 -1.956 -27.173 15.536 1.00 23.40 ATOM 2299 CD ARG 140 -3.923 -27.495 14.788 1.00 61.12 ATOM 2300 HD1 ARG 140 -3.690 -28.472 14.388 1.00 36.35 ATOM 2301 HD2 ARG 140 -3.785 -26.749 14.019 1.00 45.52 ATOM 2302 NE ARG 140 -5.316 -27.475 15.225 1.00 53.12 ATOM 2303 HE ARG 140 -5.514 -27.185 16.145 1.00 43.43 ATOM 2304 CZ ARG 140 -6.334 -27.835 14.451 1.00 33.44 ATOM 2305 NH1 ARG 140 -6.115 -28.242 13.209 1.00 75.33 ATOM 2306 HH11 ARG 140 -5.192 -28.286 12.830 1.00 0.45 ATOM 2307 HH12 ARG 140 -6.889 -28.513 12.633 1.00 63.43 ATOM 2308 NH2 ARG 140 -7.575 -27.790 14.921 1.00 5.11 ATOM 2309 HH21 ARG 140 -7.747 -27.485 15.860 1.00 54.05 ATOM 2310 HH22 ARG 140 -8.345 -28.061 14.339 1.00 21.24 ATOM 2311 C ARG 140 -2.480 -23.919 17.923 1.00 31.35 ATOM 2312 O ARG 140 -2.632 -22.788 17.463 1.00 0.44 ATOM 2313 N ARG 141 -2.662 -24.209 19.208 1.00 72.03 ATOM 2314 HN ARG 141 -2.539 -25.135 19.519 1.00 36.35 ATOM 2315 CA ARG 141 -3.061 -23.191 20.172 1.00 52.55 ATOM 2316 HA ARG 141 -4.037 -22.825 19.887 1.00 1.53 ATOM 2317 CB ARG 141 -3.149 -23.793 21.575 1.00 12.20 ATOM 2318 HB1 ARG 141 -2.218 -24.295 21.797 1.00 36.35 ATOM 2319 HB2 ARG 141 -3.951 -24.520 21.584 1.00 15.25 ATOM 2320 CG ARG 141 -3.409 -22.765 22.664 1.00 54.42 ATOM 2321 HG1 ARG 141 -4.236 -22.133 22.368 1.00 36.35 ATOM 2322 HG2 ARG 141 -2.524 -22.163 22.804 1.00 21.13 ATOM 2323 CD ARG 141 -3.750 -23.430 23.988 1.00 4.33 ATOM 2324 HD1 ARG 141 -2.842 -23.821 24.422 1.00 36.35 ATOM 2325 HD2 ARG 141 -4.444 -24.244 23.811 1.00 52.44 ATOM 2326 NE ARG 141 -4.360 -22.494 24.930 1.00 63.54 ATOM 2327 HE ARG 141 -4.454 -21.553 24.651 1.00 62.22 ATOM 2328 CZ ARG 141 -4.791 -22.843 26.136 1.00 33.25 ATOM 2329 NH1 ARG 141 -4.680 -24.099 26.547 1.00 61.03 ATOM 2330 HH11 ARG 141 -4.274 -24.802 25.965 1.00 55.52 ATOM 2331 HH12 ARG 141 -5.008 -24.353 27.459 1.00 44.25 ATOM 2332 NH2 ARG 141 -5.335 -21.935 26.936 1.00 13.40 ATOM 2333 HH21 ARG 141 -5.422 -20.984 26.633 1.00 2.13 ATOM 2334 HH22 ARG 141 -5.661 -22.196 27.847 1.00 41.01 ATOM 2335 C ARG 141 -2.078 -22.024 20.168 1.00 51.42 ATOM 2336 O ARG 141 -2.458 -20.879 20.411 1.00 55.01 ATOM 2337 N GLU 142 -0.813 -22.323 19.891 1.00 62.31 ATOM 2338 HN GLU 142 -0.552 -23.257 19.720 1.00 36.35 ATOM 2339 CA GLU 142 0.224 -21.299 19.857 1.00 3.22 ATOM 2340 HA GLU 142 -0.095 -20.453 20.458 1.00 70.31 ATOM 2341 CB GLU 142 1.533 -21.848 20.429 1.00 0.55 ATOM 2342 HB1 GLU 142 2.375 -21.360 19.952 1.00 36.35 ATOM 2343 HB2 GLU 142 1.591 -22.908 20.222 1.00 21.32 ATOM 2344 CG GLU 142 1.668 -21.657 21.931 1.00 72.41 ATOM 2345 HG1 GLU 142 1.236 -22.513 22.428 1.00 36.35 ATOM 2346 HG2 GLU 142 1.139 -20.763 22.234 1.00 31.00 ATOM 2347 CD GLU 142 3.112 -21.523 22.375 1.00 75.03 ATOM 2348 OE1 GLU 142 3.579 -20.375 22.530 1.00 64.41 ATOM 2349 OE2 GLU 142 3.773 -22.564 22.566 1.00 23.34 ATOM 2350 C GLU 142 0.449 -20.799 18.433 1.00 3.11 ATOM 2351 O GLU 142 1.510 -20.266 18.111 1.00 42.11 ATOM 2352 N GLY 143 -0.558 -20.976 17.584 1.00 73.13 ATOM 2353 HN GLY 143 -1.376 -21.408 17.869 1.00 36.35 ATOM 2354 CA GLY 143 -0.451 -20.539 16.204 1.00 12.21 ATOM 2355 HA1 GLY 143 -0.320 -21.409 15.578 1.00 36.35 ATOM 2356 HA2 GLY 143 0.406 -19.889 16.075 1.00 41.30 ATOM 2357 C GLY 143 -1.684 -19.793 15.735 1.00 54.41 ATOM 2358 O GLY 143 -1.579 -18.756 15.080 1.00 42.32 ATOM 2359 N ARG 144 -2.857 -20.322 16.069 1.00 1.51 ATOM 2360 HN ARG 144 -2.889 -21.158 16.585 1.00 36.35 ATOM 2361 CA ARG 144 -4.115 -19.700 15.675 1.00 75.00 ATOM 2362 HA ARG 144 -3.955 -19.119 14.772 1.00 42.22 ATOM 2363 CB ARG 144 -5.169 -20.771 15.384 1.00 5.11 ATOM 2364 HB1 ARG 144 -6.147 -20.310 15.319 1.00 36.35 ATOM 2365 HB2 ARG 144 -5.174 -21.479 16.200 1.00 43.23 ATOM 2366 CG ARG 144 -4.918 -21.537 14.096 1.00 61.43 ATOM 2367 HG1 ARG 144 -4.177 -22.300 14.282 1.00 36.35 ATOM 2368 HG2 ARG 144 -4.555 -20.858 13.336 1.00 13.43 ATOM 2369 CD ARG 144 -6.188 -22.199 13.585 1.00 53.11 ATOM 2370 HD1 ARG 144 -5.927 -22.896 12.801 1.00 36.35 ATOM 2371 HD2 ARG 144 -6.827 -21.426 13.181 1.00 1.42 ATOM 2372 NE ARG 144 -6.897 -22.913 14.643 1.00 30.42 ATOM 2373 HE ARG 144 -6.407 -23.125 15.471 1.00 32.42 ATOM 2374 CZ ARG 144 -8.160 -23.312 14.542 1.00 11.04 ATOM 2375 NH1 ARG 144 -8.850 -23.068 13.437 1.00 44.44 ATOM 2376 HH11 ARG 144 -8.445 -22.588 12.662 1.00 10.43 ATOM 2377 HH12 ARG 144 -9.803 -23.371 13.373 1.00 53.12 ATOM 2378 NH2 ARG 144 -8.736 -23.957 15.549 1.00 61.11 ATOM 2379 HH21 ARG 144 -8.220 -24.145 16.388 1.00 72.41 ATOM 2380 HH22 ARG 144 -9.689 -24.259 15.475 1.00 13.51 ATOM 2381 C ARG 144 -4.620 -18.757 16.763 1.00 35.23 ATOM 2382 O ARG 144 -4.002 -18.625 17.819 1.00 1.55 ATOM 2383 N ARG 145 -5.747 -18.105 16.498 1.00 53.45 ATOM 2384 HN ARG 145 -6.199 -18.244 15.633 1.00 36.35 ATOM 2385 HA ARG 145 -5.545 -16.756 18.068 1.00 44.10 ATOM 2386 CB ARG 145 -7.026 -16.024 16.718 1.00 13.30 ATOM 2387 HB1 ARG 145 -6.356 -15.654 15.952 1.00 36.35 ATOM 2388 HB2 ARG 145 -7.224 -15.230 17.424 1.00 52.31 ATOM 2389 CG ARG 145 -8.341 -16.421 16.068 1.00 54.04 ATOM 2390 HG1 ARG 145 -9.091 -16.555 16.836 1.00 36.35 ATOM 2391 HG2 ARG 145 -8.207 -17.349 15.529 1.00 54.41 ATOM 2392 CD ARG 145 -8.822 -15.360 15.090 1.00 32.00 ATOM 2393 HD1 ARG 145 -9.363 -15.841 14.289 1.00 36.35 ATOM 2394 HD2 ARG 145 -7.965 -14.849 14.665 1.00 72.42 ATOM 2395 NE ARG 145 -9.678 -14.368 15.736 1.00 64.11 ATOM 2396 HE ARG 145 -9.263 -13.517 15.997 1.00 13.32 ATOM 2397 CZ ARG 145 -10.969 -14.560 15.982 1.00 2.21 ATOM 2398 NH1 ARG 145 -11.550 -15.701 15.638 1.00 13.34 ATOM 2399 HH11 ARG 145 -11.043 -16.436 15.196 1.00 20.14 ATOM 2400 HH12 ARG 145 -12.526 -15.833 15.825 1.00 25.00 ATOM 2401 NH2 ARG 145 -11.681 -13.609 16.574 1.00 60.33 ATOM 2402 HH21 ARG 145 -11.247 -12.745 16.837 1.00 0.04 ATOM 2403 HH22 ARG 145 -12.655 -13.751 16.761 1.00 34.43 ATOM 2404 CA ARG 145 -6.334 -17.173 17.453 1.00 32.01 ATOM 2405 C ARG 145 -7.332 -17.884 18.362 1.00 14.24 ATOM 2406 OT1 ARG 145 -8.065 -18.779 17.879 1.00 36.35 ATOM 2407 OT2 ARG 145 -7.376 -17.540 19.562 1.00 36.35 ATOM 2408 OH2 TIP3 1 -4.293 -53.413 -12.056 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -4.342 -54.368 -12.093 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -5.119 -53.145 -11.654 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -7.011 -49.545 -10.949 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -6.811 -49.121 -11.784 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -6.355 -49.202 -10.342 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -5.019 -51.316 -14.151 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -5.506 -52.051 -14.522 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -4.470 -51.709 -13.473 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -6.646 -52.262 -11.343 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.428 -52.448 -11.863 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.718 -51.333 -11.126 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -8.457 -56.182 -0.736 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -8.898 -56.902 -0.286 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -8.470 -55.461 -0.106 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -11.346 -51.077 -0.524 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -10.726 -51.754 -0.797 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -11.554 -51.295 0.384 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -4.719 -63.609 4.465 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -5.408 -62.951 4.370 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -4.704 -63.806 5.402 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -11.299 -55.775 -3.414 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -11.595 -56.097 -4.265 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -11.623 -54.875 -3.372 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -9.693 -52.561 -1.763 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -9.268 -53.268 -2.248 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -9.376 -51.760 -2.180 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -8.534 -54.660 -3.254 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -8.791 -55.350 -3.866 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -8.463 -55.103 -2.409 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -5.006 -59.754 3.289 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -5.658 -59.059 3.378 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -4.541 -59.544 2.479 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -9.072 -60.748 5.015 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -8.992 -59.985 5.587 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -9.673 -60.469 4.324 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -10.648 -54.020 2.197 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -10.889 -53.358 2.845 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -10.846 -54.854 2.622 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -12.372 -53.023 -2.933 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -11.898 -52.728 -2.155 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -12.935 -52.285 -3.166 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -5.210 -53.644 -8.178 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -5.137 -52.705 -8.008 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -4.305 -53.949 -8.235 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -13.314 -53.839 5.676 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -13.227 -53.013 6.151 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -14.178 -54.169 5.925 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -9.798 -50.913 -7.515 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -9.423 -51.657 -7.986 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -9.794 -51.183 -6.597 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -10.129 -50.987 -4.766 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -11.064 -50.887 -4.587 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -9.849 -51.696 -4.188 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -7.141 -61.920 7.280 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -7.548 -61.439 6.560 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -7.100 -62.825 6.973 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -7.063 -57.930 3.138 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -6.421 -57.473 2.595 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -7.893 -57.817 2.676 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -12.693 -56.879 5.589 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -13.039 -57.260 6.395 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -12.893 -55.945 5.660 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -6.416 -53.386 -5.629 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -6.789 -54.212 -5.319 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -6.139 -53.569 -6.526 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -9.256 -58.578 1.393 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.184 -58.810 1.366 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -8.805 -59.355 1.063 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -14.771 -52.438 3.417 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -14.408 -51.583 3.184 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -14.239 -52.730 4.158 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -11.227 -56.339 3.118 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -11.653 -56.566 3.944 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -10.646 -57.077 2.935 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -9.024 -55.410 -7.808 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -8.671 -55.790 -7.004 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -9.973 -55.503 -7.722 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -8.158 -56.737 -5.582 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -8.435 -57.465 -5.026 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -7.231 -56.618 -5.376 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -8.291 -52.618 -8.989 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -8.008 -53.412 -8.536 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -7.551 -52.385 -9.550 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -9.287 -57.166 5.552 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -8.542 -56.578 5.432 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -10.044 -56.584 5.615 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -11.878 -58.372 8.808 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -10.925 -58.288 8.780 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -12.038 -59.083 9.427 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -8.832 -59.075 7.451 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -9.113 -58.366 6.873 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -7.889 -59.148 7.300 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -5.267 -57.269 -5.143 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -4.417 -56.848 -5.015 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -5.262 -58.009 -4.535 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -4.873 -59.216 -3.319 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -5.599 -59.695 -2.921 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -4.292 -59.010 -2.587 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -6.230 -58.725 6.883 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -5.647 -59.459 7.074 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -5.666 -57.953 6.929 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -4.733 -60.822 7.567 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -5.596 -61.201 7.402 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -4.129 -61.561 7.493 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -6.764 -62.531 1.142 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -5.831 -62.319 1.108 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -6.999 -62.429 2.065 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -6.735 -61.794 3.918 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -7.578 -61.526 4.284 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -6.292 -60.972 3.707 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -13.194 -51.490 7.116 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -13.009 -51.824 7.994 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -12.347 -51.181 6.794 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -12.925 -50.145 2.410 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -13.382 -49.616 1.756 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -12.762 -49.542 3.135 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -9.693 -52.561 17.093 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -9.268 -53.268 16.608 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -9.376 -51.760 16.676 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -8.534 -54.660 15.602 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -8.791 -55.350 14.990 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -8.463 -55.103 16.447 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -12.900 -50.067 14.338 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -12.975 -50.188 13.392 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -12.867 -49.117 14.457 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -10.129 -50.987 14.090 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -11.064 -50.887 14.269 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -9.849 -51.696 14.668 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -8.621 -58.727 10.118 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -8.579 -58.950 9.188 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -7.772 -58.329 10.308 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -7.011 -49.545 26.763 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -6.811 -49.121 25.928 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -6.355 -49.202 27.370 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -12.087 -55.604 12.233 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -12.382 -54.778 12.615 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -12.790 -56.224 12.429 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -6.416 -53.386 13.227 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -6.789 -54.212 13.537 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -6.139 -53.569 12.330 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -9.024 -55.410 11.048 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -8.671 -55.790 11.852 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -9.973 -55.503 11.134 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -8.158 -56.737 13.274 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -8.435 -57.465 13.830 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -7.231 -56.618 13.480 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -13.258 -53.030 12.700 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -14.075 -52.533 12.753 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -12.729 -52.555 12.060 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -12.895 -52.435 9.633 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -13.539 -53.066 9.955 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -12.133 -52.966 9.401 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -11.984 -55.661 9.460 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.252 -55.481 10.361 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -12.190 -56.587 9.329 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -5.726 -58.138 9.738 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -5.999 -58.563 8.925 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -5.686 -57.207 9.521 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -15.218 -49.802 11.294 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -14.285 -49.644 11.438 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -15.482 -49.127 10.669 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -4.582 -50.883 20.639 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -4.604 -50.698 21.578 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -3.892 -50.314 20.298 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -5.019 -51.316 23.561 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -5.506 -52.051 23.190 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -4.470 -51.709 24.239 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -5.267 -57.269 13.713 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -4.417 -56.848 13.841 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -5.262 -58.009 14.321 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -4.873 -59.216 15.537 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -5.599 -59.695 15.935 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -4.292 -59.010 16.269 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.114 -56.431 20.485 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -4.280 -56.809 20.204 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -5.002 -55.488 20.366 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -7.844 -50.793 16.211 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -7.191 -51.140 15.603 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -7.333 -50.304 16.857 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -7.993 -49.697 22.506 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -8.175 -48.781 22.295 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -7.817 -50.107 21.659 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -12.573 -50.576 11.539 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -11.707 -50.210 11.361 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -12.820 -51.016 10.726 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -12.163 -40.265 -17.894 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -12.201 -40.911 -17.189 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -12.486 -40.731 -18.665 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -8.457 -37.326 -19.592 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -8.898 -38.046 -19.142 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -8.470 -36.605 -18.962 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -13.774 -37.832 -17.488 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -13.470 -38.518 -18.082 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -13.052 -37.714 -16.870 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -5.111 -46.231 -16.627 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -5.062 -45.621 -15.891 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -4.685 -45.770 -17.350 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -10.633 -43.438 -17.160 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -10.490 -44.385 -17.140 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -10.739 -43.231 -18.089 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -4.719 -44.753 -14.391 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -5.408 -44.095 -14.486 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -4.704 -44.950 -13.454 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -16.099 -38.743 -15.526 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -16.839 -38.145 -15.423 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -15.385 -38.189 -15.842 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -17.691 -36.779 -14.739 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -17.697 -35.900 -15.117 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -18.545 -36.862 -14.314 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -7.945 -35.486 -17.244 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -8.887 -35.428 -17.083 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -7.669 -34.580 -17.381 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -16.957 -40.667 -17.393 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -16.392 -40.546 -18.156 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -16.638 -40.030 -16.754 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -10.648 -35.164 -16.659 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -10.889 -34.502 -16.011 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -10.846 -35.998 -16.234 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -16.077 -36.268 -12.676 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -16.389 -35.486 -12.220 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -16.727 -36.421 -13.362 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -13.314 -34.983 -13.180 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -13.227 -34.157 -12.705 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -14.178 -35.313 -12.931 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -9.384 -44.732 -13.355 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -9.898 -44.858 -12.558 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -9.539 -43.820 -13.600 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -12.647 -42.432 -11.271 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -13.210 -43.136 -10.951 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -11.821 -42.552 -10.804 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -10.745 -43.161 -19.945 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -10.940 -42.556 -20.660 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -10.563 -43.995 -20.380 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -10.298 -46.361 -17.226 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -10.975 -46.230 -16.562 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -10.784 -46.516 -18.036 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -13.383 -42.808 -18.603 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -12.819 -43.355 -19.150 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -13.531 -43.330 -17.814 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -14.757 -44.420 -16.189 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -15.592 -43.966 -16.079 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -14.233 -44.144 -15.437 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -7.063 -39.074 -15.718 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -6.421 -38.617 -16.261 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -7.893 -38.961 -16.180 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -15.063 -40.934 -11.207 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -15.359 -41.100 -12.102 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -14.132 -41.154 -11.217 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -9.256 -39.722 -17.463 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -10.184 -39.954 -17.490 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -8.805 -40.499 -17.793 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -14.771 -33.582 -15.439 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -14.408 -32.727 -15.672 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -14.239 -33.874 -14.698 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -8.568 -32.931 -13.269 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -9.170 -33.486 -13.764 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -8.287 -32.264 -13.895 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -11.711 -45.957 -14.972 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -11.013 -45.883 -14.322 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -12.092 -46.821 -14.817 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -13.191 -43.591 -13.855 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -13.072 -43.017 -13.098 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -12.536 -44.279 -13.740 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -6.987 -45.684 -13.020 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -7.903 -45.421 -13.108 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -6.651 -45.687 -13.917 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -8.385 -41.933 -18.924 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -9.182 -42.348 -19.253 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -7.940 -42.624 -18.433 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.298 -32.677 -17.302 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -7.454 -31.999 -17.959 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -6.366 -32.605 -17.099 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -15.022 -38.226 -10.687 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -15.350 -37.955 -11.545 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -14.870 -39.167 -10.775 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -16.898 -41.987 -13.326 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -17.516 -41.312 -13.045 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -16.554 -41.666 -14.159 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -16.558 -44.632 -12.243 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -16.408 -45.361 -12.846 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -16.556 -43.855 -12.802 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -14.564 -40.823 -14.511 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -13.813 -40.979 -15.084 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -14.903 -39.971 -14.787 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -14.076 -44.484 -10.756 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -14.312 -44.704 -9.854 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -14.859 -44.691 -11.265 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -11.360 -45.357 -11.680 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -12.308 -45.325 -11.548 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -11.048 -45.982 -11.026 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -9.726 -46.723 -9.675 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -9.823 -47.675 -9.681 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -10.048 -46.454 -8.814 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -4.582 -32.027 -17.073 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -4.604 -31.842 -16.134 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -3.892 -31.458 -17.414 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -5.114 -37.575 -17.227 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -4.280 -37.953 -17.508 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -5.002 -36.632 -17.346 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -6.764 -43.675 -17.714 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -5.831 -43.463 -17.748 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -6.999 -43.573 -16.791 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -6.735 -42.938 -14.938 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -7.578 -42.670 -14.572 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -6.292 -42.116 -15.149 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -13.194 -32.634 -11.740 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -13.009 -32.968 -10.862 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -12.347 -32.325 -12.062 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -10.849 -31.349 -12.496 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -10.172 -31.981 -12.736 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -10.527 -30.947 -11.688 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -5.931 -48.759 -13.416 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -6.744 -48.434 -13.804 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -5.698 -49.519 -13.949 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -10.598 -32.411 -15.501 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -11.502 -32.246 -15.767 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -10.169 -31.558 -15.567 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -7.993 -30.841 -15.206 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -8.175 -29.925 -15.417 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -7.817 -31.251 -16.053 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -9.822 -49.479 -10.036 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -9.746 -49.905 -9.182 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -8.929 -49.465 -10.378 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -11.096 -39.520 -2.457 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -11.007 -38.576 -2.589 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -11.735 -39.795 -3.115 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -12.163 -40.265 0.962 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -12.201 -40.911 1.667 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -12.486 -40.731 0.191 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -8.457 -37.326 -0.736 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -8.898 -38.046 -0.286 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -8.470 -36.605 -0.106 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -11.346 -32.221 -0.524 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -10.726 -32.898 -0.797 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -11.554 -32.439 0.384 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -10.633 -43.438 1.696 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -10.490 -44.385 1.716 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -10.739 -43.231 0.767 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -11.299 -36.919 -3.414 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -11.595 -37.241 -4.265 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -11.623 -36.019 -3.372 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -7.945 -35.486 1.612 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -8.887 -35.428 1.773 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -7.669 -34.580 1.475 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -9.693 -33.705 -1.763 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -9.268 -34.412 -2.248 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -9.376 -32.904 -2.180 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -6.848 -37.238 5.223 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -6.708 -37.829 4.484 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -6.680 -36.365 4.867 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -12.375 -40.276 -5.005 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -13.087 -39.741 -5.356 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -11.684 -40.220 -5.665 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -12.321 -41.818 -7.966 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -11.620 -41.796 -7.315 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -12.019 -42.446 -8.622 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -9.072 -41.892 5.015 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -8.992 -41.129 5.587 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -9.673 -41.613 4.324 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -10.648 -35.164 2.197 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -10.889 -34.502 2.845 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -10.846 -35.998 2.622 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -10.098 -40.904 -6.368 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -9.519 -40.754 -5.621 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -9.684 -40.433 -7.091 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -12.372 -34.167 -2.933 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -11.898 -33.872 -2.155 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -12.935 -33.429 -3.166 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -12.900 -31.211 -4.518 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -12.975 -31.332 -5.464 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -12.867 -30.261 -4.399 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -9.798 -32.057 -7.515 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -9.423 -32.801 -7.986 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -9.794 -32.327 -6.597 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -10.129 -32.131 -4.766 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -11.064 -32.031 -4.587 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -9.849 -32.840 -4.188 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -12.710 -48.488 4.647 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -12.290 -48.903 5.400 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -13.643 -48.666 4.764 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -13.048 -45.995 -8.068 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -13.302 -45.976 -7.145 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -13.305 -46.867 -8.369 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -11.749 -42.607 -3.903 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -12.158 -41.792 -4.195 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -11.029 -42.747 -4.518 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -12.647 -42.432 7.585 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -13.210 -43.136 7.905 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -11.821 -42.552 8.052 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -10.745 -43.161 -1.089 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -10.940 -42.556 -1.804 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -10.563 -43.995 -1.524 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -11.481 -41.523 3.582 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -11.157 -42.154 2.939 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -11.921 -42.058 4.243 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -7.011 -30.689 7.907 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -6.811 -30.265 7.072 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -6.355 -30.346 8.514 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -13.383 -42.808 0.253 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -12.819 -43.355 -0.294 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -13.531 -43.330 1.042 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -14.757 -44.420 2.667 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -15.592 -43.966 2.777 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -14.233 -44.144 3.419 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -14.213 -38.207 -5.648 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -14.957 -38.714 -5.971 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -14.347 -38.158 -4.702 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -7.063 -39.074 3.138 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -6.421 -38.617 2.595 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -7.893 -38.961 2.676 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -10.315 -45.393 -7.449 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -11.253 -45.281 -7.600 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -10.018 -44.536 -7.143 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -9.597 -43.526 -5.788 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -8.705 -43.663 -5.469 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -9.540 -42.735 -6.325 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -12.087 -36.748 -6.623 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -12.382 -35.922 -6.241 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -12.790 -37.368 -6.427 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -9.256 -39.722 1.393 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -10.184 -39.954 1.366 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -8.805 -40.499 1.063 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -8.568 -32.931 5.587 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -9.170 -33.486 5.092 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -8.287 -32.264 4.961 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -14.933 -35.442 -9.361 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -14.694 -36.190 -9.909 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -15.202 -35.830 -8.529 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -10.927 -46.305 -5.019 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -10.707 -45.833 -5.822 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -10.369 -45.910 -4.348 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -13.258 -34.174 -6.156 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -14.075 -33.677 -6.103 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -12.729 -33.699 -6.796 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -13.727 -44.577 -4.184 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -12.915 -44.073 -4.138 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -13.972 -44.722 -3.270 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -13.191 -43.591 5.001 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -13.072 -43.017 5.758 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -12.536 -44.279 5.116 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -12.843 -47.496 -3.246 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -13.190 -46.878 -2.601 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -12.185 -46.995 -3.727 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -7.298 -32.677 1.554 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -7.454 -31.999 0.897 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -6.366 -32.605 1.757 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -12.895 -33.579 -9.223 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -13.539 -34.210 -8.901 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -12.133 -34.110 -9.455 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -9.287 -38.310 5.552 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -8.542 -37.722 5.432 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -10.044 -37.728 5.615 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -15.116 -41.637 -8.563 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -15.296 -41.791 -9.491 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -14.165 -41.529 -8.519 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -16.146 -46.262 4.105 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -15.610 -45.811 3.453 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -16.998 -46.370 3.683 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -10.148 -43.008 9.373 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -9.956 -43.939 9.262 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -9.291 -42.583 9.363 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.832 -40.219 7.451 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -9.113 -39.510 6.873 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -7.889 -40.292 7.300 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -15.340 -48.806 4.537 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -15.438 -47.859 4.431 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -16.083 -49.178 4.061 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -14.076 -44.484 8.100 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -14.312 -44.704 9.002 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -14.859 -44.691 7.591 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -15.118 -49.512 7.208 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -14.406 -50.152 7.194 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -15.219 -49.245 6.294 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -14.765 -47.829 9.262 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -14.896 -48.305 8.441 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -15.364 -47.085 9.206 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -4.582 -32.027 1.783 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -4.604 -31.842 2.722 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -3.892 -31.458 1.442 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -6.568 -36.670 9.343 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -7.434 -36.775 9.737 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -6.192 -35.911 9.790 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -6.627 -34.697 3.936 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -7.275 -34.372 4.561 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -7.145 -35.137 3.261 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -6.230 -39.869 6.883 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -5.647 -40.603 7.074 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -5.666 -39.097 6.929 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -7.008 -45.811 -9.260 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -6.398 -46.183 -8.623 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -7.845 -46.233 -9.064 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -7.844 -31.937 -2.645 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -7.191 -32.284 -3.253 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -7.333 -31.448 -1.999 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -7.993 -30.841 3.650 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -8.175 -29.925 3.439 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -7.817 -31.251 2.803 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -12.501 -47.310 -0.237 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -13.176 -47.939 0.018 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -11.937 -47.794 -0.840 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -10.038 -48.719 -0.953 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -9.962 -48.624 -1.902 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -10.314 -49.627 -0.824 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -8.685 -48.693 -5.260 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -9.388 -48.079 -5.470 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -9.130 -49.531 -5.129 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -12.573 -31.720 -7.317 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -11.707 -31.354 -7.495 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -12.820 -32.160 -8.130 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -6.646 -33.406 7.513 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -7.428 -33.592 6.993 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -6.718 -32.477 7.730 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -11.096 -39.520 16.399 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -11.007 -38.576 16.267 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -11.735 -39.795 15.741 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -12.163 -40.265 19.818 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -12.201 -40.911 20.523 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -12.486 -40.731 19.047 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -11.346 -32.221 18.332 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -10.726 -32.898 18.059 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -11.554 -32.439 19.240 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -13.774 -37.832 20.224 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -13.470 -38.518 19.630 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -13.052 -37.714 20.842 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -10.633 -43.438 20.552 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.490 -44.385 20.572 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -10.739 -43.231 19.623 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -9.756 -45.206 16.225 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -9.110 -45.535 16.850 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -9.246 -44.688 15.602 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -11.299 -36.919 15.442 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -11.595 -37.241 14.591 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -11.623 -36.019 15.484 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -7.992 -45.915 18.206 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -8.207 -46.681 18.738 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -7.336 -45.443 18.719 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -7.645 -47.200 21.885 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -8.381 -46.589 21.847 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -6.961 -46.785 21.359 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -12.375 -40.276 13.851 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -13.087 -39.741 13.500 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -11.684 -40.220 13.191 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -8.969 -40.066 14.803 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -9.701 -39.838 15.376 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -8.522 -40.780 15.258 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -10.648 -35.164 21.053 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -10.889 -34.502 21.701 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -10.846 -35.998 21.478 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -10.098 -40.904 12.488 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -9.519 -40.754 13.235 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -9.684 -40.433 11.765 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -12.372 -34.167 15.923 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -11.898 -33.872 16.701 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -12.935 -33.429 15.690 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -5.210 -34.788 10.678 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -5.137 -33.849 10.848 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -4.305 -35.093 10.621 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -12.900 -31.211 14.338 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -12.975 -31.332 13.392 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -12.867 -30.261 14.457 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -9.798 -32.057 11.341 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -9.423 -32.801 10.870 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -9.794 -32.327 12.259 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -10.129 -32.131 14.090 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -11.064 -32.031 14.269 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -9.849 -32.840 14.668 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -9.384 -44.732 24.357 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -9.898 -44.858 25.154 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -9.539 -43.820 24.112 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -8.621 -39.871 10.118 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -8.579 -40.094 9.188 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -7.772 -39.473 10.308 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -13.048 -45.995 10.788 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -13.302 -45.976 11.711 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -13.305 -46.867 10.487 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -12.647 -42.432 26.441 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -13.210 -43.136 26.761 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -11.821 -42.552 26.908 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.745 -43.161 17.767 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.940 -42.556 17.052 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.563 -43.995 17.332 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -11.481 -41.523 22.438 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -11.157 -42.154 21.795 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -11.921 -42.058 23.099 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -10.298 -46.361 20.486 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -10.975 -46.230 21.150 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -10.784 -46.516 19.676 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -7.011 -30.689 26.763 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -6.811 -30.265 25.928 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -6.355 -30.346 27.370 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -10.315 -45.393 11.407 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -11.253 -45.281 11.256 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -10.018 -44.536 11.713 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -12.693 -38.023 24.445 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -13.039 -38.404 25.251 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -12.893 -37.089 24.516 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.597 -43.526 13.068 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -8.705 -43.663 13.387 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -9.540 -42.735 12.531 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -12.087 -36.748 12.233 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -12.382 -35.922 12.615 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -12.790 -37.368 12.429 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -10.443 -35.561 24.395 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -11.344 -35.378 24.127 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -10.409 -35.302 25.316 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -6.416 -34.530 13.227 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -6.789 -35.356 13.537 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -6.139 -34.713 12.330 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -9.256 -39.722 20.249 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -10.184 -39.954 20.222 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -8.805 -40.499 19.919 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -11.227 -37.483 21.974 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -11.653 -37.710 22.800 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -10.646 -38.221 21.791 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -9.024 -36.554 11.048 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -8.671 -36.934 11.852 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -9.973 -36.647 11.134 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -8.568 -32.931 24.443 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -9.170 -33.486 23.948 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -8.287 -32.264 23.817 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -4.520 -32.074 11.249 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -3.777 -31.488 11.109 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -5.215 -31.506 11.582 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -8.158 -37.881 13.274 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.435 -38.609 13.830 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -7.231 -37.762 13.480 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -11.711 -45.957 22.740 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -11.013 -45.883 23.390 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -12.092 -46.821 22.895 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -10.927 -46.305 13.837 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -10.707 -45.833 13.034 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -10.369 -45.910 14.508 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -13.258 -34.174 12.700 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -14.075 -33.677 12.753 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -12.729 -33.699 12.060 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -13.191 -43.591 23.857 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.072 -43.017 24.614 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -12.536 -44.279 23.972 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -8.385 -41.933 18.788 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -9.182 -42.348 18.459 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -7.940 -42.624 19.279 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -10.410 -34.707 26.987 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -10.761 -35.563 27.230 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -9.684 -34.564 27.594 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -8.291 -33.762 9.867 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -8.008 -34.556 10.320 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -7.551 -33.529 9.306 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -11.878 -39.516 27.664 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -10.925 -39.432 27.636 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -12.038 -40.227 28.283 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -5.726 -39.282 9.738 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -5.999 -39.707 8.925 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -5.686 -38.351 9.521 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -14.564 -40.823 23.201 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -13.813 -40.979 22.628 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -14.903 -39.971 22.925 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -10.148 -43.008 28.229 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -9.956 -43.939 28.118 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -9.291 -42.583 28.219 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -11.360 -45.357 26.032 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -12.308 -45.325 26.164 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -11.048 -45.982 26.686 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.726 -46.723 28.037 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.823 -47.675 28.031 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -10.048 -46.454 28.898 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -6.568 -36.670 28.199 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -7.434 -36.775 28.593 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -6.192 -35.911 28.646 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -6.256 -43.219 10.479 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -6.159 -42.552 9.799 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -6.396 -44.035 9.997 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -7.376 -44.256 14.562 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -7.096 -45.163 14.687 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -6.617 -43.822 14.173 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -4.452 -48.958 28.128 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -4.102 -49.612 27.522 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -4.305 -48.121 27.688 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -4.932 -46.849 26.477 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -5.849 -46.578 26.441 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -4.809 -47.384 25.693 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -10.849 -31.349 25.216 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -10.172 -31.981 24.976 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -10.527 -30.947 26.024 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -5.931 -48.759 24.296 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -6.744 -48.434 23.908 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -5.698 -49.519 23.763 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -12.925 -31.289 21.266 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -13.382 -30.760 20.612 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -12.762 -30.686 21.991 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -10.598 -32.411 22.211 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -11.502 -32.246 21.945 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -10.169 -31.558 22.145 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -7.359 -49.203 18.731 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -6.755 -48.655 18.230 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -8.228 -48.883 18.491 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -5.632 -48.064 17.065 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -5.020 -48.578 16.538 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -5.249 -47.186 17.088 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -10.038 -48.719 17.903 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -9.962 -48.624 16.954 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -10.314 -49.627 18.032 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -12.573 -31.720 11.539 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -11.707 -31.354 11.361 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -12.820 -32.160 10.726 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -6.646 -33.406 26.369 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -7.428 -33.592 25.849 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -6.718 -32.477 26.586 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -12.321 -41.818 29.746 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -11.620 -41.796 30.397 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -12.019 -42.446 29.090 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -10.098 -40.904 31.344 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -9.519 -40.754 32.091 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -9.684 -40.433 30.621 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -5.210 -34.788 29.534 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -5.137 -33.849 29.704 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -4.305 -35.093 29.477 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -8.621 -39.871 28.974 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -8.579 -40.094 28.044 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -7.772 -39.473 29.164 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -4.712 -43.316 31.618 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -5.266 -43.712 30.946 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -4.611 -42.406 31.341 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -9.024 -36.554 29.904 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -8.671 -36.934 30.708 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -9.973 -36.647 29.990 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -4.520 -32.074 30.105 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -3.777 -31.488 29.965 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -5.215 -31.506 30.438 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -8.291 -33.762 28.723 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -8.008 -34.556 29.176 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -7.551 -33.529 28.162 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -11.984 -36.805 28.316 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -12.252 -36.625 29.217 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -12.190 -37.731 28.185 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -5.726 -39.282 28.594 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -5.999 -39.707 27.781 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -5.686 -38.351 28.377 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -4.605 -40.459 30.784 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -5.126 -40.102 30.065 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -4.638 -39.784 31.462 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -6.256 -43.219 29.335 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -6.159 -42.552 28.655 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -6.396 -44.035 28.853 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -7.008 -45.811 28.452 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -6.398 -46.183 29.089 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -7.845 -46.233 28.648 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -4.896 -46.926 29.995 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -4.483 -47.647 29.519 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -4.214 -46.256 30.053 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -5.111 -27.375 -16.627 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -5.062 -26.765 -15.891 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -4.685 -26.914 -17.350 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -4.719 -25.897 -14.391 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -5.408 -25.239 -14.486 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -4.704 -26.094 -13.454 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -7.645 -28.344 -15.827 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -8.381 -27.733 -15.865 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -6.961 -27.929 -16.353 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -5.006 -22.042 -15.567 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -5.658 -21.347 -15.478 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -4.541 -21.832 -16.377 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -4.293 -15.701 -12.056 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -4.342 -16.656 -12.093 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -5.119 -15.433 -11.654 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -7.141 -24.208 -11.576 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -7.548 -23.727 -12.296 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -7.100 -25.113 -11.883 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -9.384 -25.876 -13.355 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -9.898 -26.002 -12.558 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -9.539 -24.964 -13.600 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -6.987 -26.828 -13.020 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -7.903 -26.565 -13.108 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.651 -26.831 -13.917 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -9.726 -27.867 -9.675 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -9.823 -28.819 -9.681 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -10.048 -27.598 -8.814 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -4.582 -13.171 -17.073 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -4.604 -12.986 -16.134 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -3.892 -12.602 -17.414 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -5.019 -13.604 -14.151 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -5.506 -14.339 -14.522 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -4.470 -13.997 -13.473 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -6.230 -21.013 -11.973 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -5.647 -21.747 -11.782 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -5.666 -20.241 -11.927 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -4.733 -23.110 -11.289 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -5.596 -23.489 -11.454 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -4.129 -23.849 -11.363 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -6.735 -24.082 -14.938 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -7.578 -23.814 -14.572 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -6.292 -23.260 -15.149 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -5.931 -29.903 -13.416 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -6.744 -29.578 -13.804 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -5.698 -30.663 -13.949 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -9.822 -30.623 -10.036 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -9.746 -31.049 -9.182 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -8.929 -30.609 -10.378 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -5.111 -27.375 2.229 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -5.062 -26.765 2.965 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -4.685 -26.914 1.506 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -4.719 -25.897 4.465 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -5.408 -25.239 4.370 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -4.704 -26.094 5.402 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -7.992 -27.059 -0.650 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -8.207 -27.825 -0.118 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -7.336 -26.587 -0.137 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -6.400 -30.298 -6.555 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -7.299 -30.159 -6.260 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -6.148 -29.467 -6.957 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -5.210 -15.932 -8.178 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -5.137 -14.993 -8.008 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -4.305 -16.237 -8.235 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -7.141 -24.208 7.280 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -7.548 -23.727 6.560 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -7.100 -25.113 6.973 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -12.647 -23.576 7.585 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -13.210 -24.280 7.905 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -11.821 -23.696 8.052 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -4.712 -24.460 -6.094 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -5.266 -24.856 -6.766 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -4.611 -23.550 -6.371 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -4.748 -18.660 6.743 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -5.600 -18.422 6.376 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -4.158 -18.677 5.990 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -6.416 -15.674 -5.629 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -6.789 -16.500 -5.319 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -6.139 -15.857 -6.526 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -4.520 -13.218 -7.607 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -3.777 -12.632 -7.747 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -5.215 -12.650 -7.274 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -6.987 -26.828 5.836 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -7.903 -26.565 5.748 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -6.651 -26.831 4.939 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -10.410 -15.851 8.131 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -10.761 -16.707 8.374 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -9.684 -15.708 8.738 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -11.878 -20.660 8.808 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -10.925 -20.576 8.780 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -12.038 -21.371 9.427 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -5.726 -20.426 -9.118 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -5.999 -20.851 -9.931 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -5.686 -19.495 -9.335 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -10.148 -24.152 9.373 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -9.956 -25.083 9.262 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -9.291 -23.727 9.363 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -8.832 -21.363 7.451 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -9.113 -20.654 6.873 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -7.889 -21.436 7.300 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -14.076 -25.628 8.100 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -14.312 -25.848 9.002 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -14.859 -25.835 7.591 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -11.360 -26.501 7.176 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -12.308 -26.469 7.308 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -11.048 -27.126 7.830 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -9.726 -27.867 9.181 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -9.823 -28.819 9.175 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -10.048 -27.598 10.042 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -6.568 -17.814 9.343 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -7.434 -17.919 9.737 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -6.192 -17.055 9.790 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -5.267 -19.557 -5.143 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.417 -19.136 -5.015 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -5.262 -20.297 -4.535 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -4.873 -21.504 -3.319 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -5.599 -21.983 -2.921 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -4.292 -21.298 -2.587 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -5.114 -18.719 1.629 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -4.280 -19.097 1.348 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -5.002 -17.776 1.510 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -4.605 -21.603 -6.928 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -5.126 -21.246 -7.647 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -4.638 -20.928 -6.250 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -6.256 -24.363 -8.377 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -6.159 -23.696 -9.057 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -6.396 -25.179 -8.859 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -7.086 -22.983 -2.756 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -7.236 -23.928 -2.776 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -7.440 -22.702 -1.912 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -6.230 -21.013 6.883 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -5.647 -21.747 7.074 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -5.666 -20.241 6.929 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -4.733 -23.110 7.567 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -5.596 -23.489 7.402 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -4.129 -23.849 7.493 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -7.008 -26.955 -9.260 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.398 -27.327 -8.623 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -7.845 -27.377 -9.064 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -7.376 -25.400 -4.294 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -7.096 -26.307 -4.169 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -6.617 -24.966 -4.683 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -6.764 -24.819 1.142 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -5.831 -24.607 1.108 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -6.999 -24.717 2.065 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -6.762 -28.137 -4.245 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -6.580 -28.586 -3.420 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -7.362 -28.722 -4.709 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -4.932 -27.993 7.621 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.849 -27.722 7.585 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -4.809 -28.528 6.837 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -5.931 -29.903 5.440 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -6.744 -29.578 5.052 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -5.698 -30.663 4.907 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -7.359 -30.347 -0.125 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -6.755 -29.799 -0.626 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -8.228 -30.027 -0.365 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -5.632 -29.208 -1.791 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -5.020 -29.722 -2.318 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -5.249 -28.330 -1.768 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -8.685 -29.837 -5.260 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -9.388 -29.223 -5.470 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -9.130 -30.675 -5.129 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -9.822 -30.623 8.820 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -9.746 -31.049 9.674 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -8.929 -30.609 8.478 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -6.646 -14.550 7.513 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -7.428 -14.736 6.993 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -6.718 -13.621 7.730 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -12.163 -21.409 19.818 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -12.201 -22.055 20.523 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -12.486 -21.875 19.047 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -13.774 -18.976 20.224 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -13.470 -19.662 19.630 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -13.052 -18.858 20.842 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -10.633 -24.582 20.552 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -10.490 -25.529 20.572 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -10.739 -24.375 19.623 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -15.702 -22.534 17.802 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -15.086 -23.060 18.311 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -16.288 -23.174 17.398 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -6.848 -18.382 24.079 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -6.708 -18.973 23.340 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -6.680 -17.509 23.723 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -12.321 -22.962 10.890 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -11.620 -22.940 11.541 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -12.019 -23.590 10.234 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -9.072 -23.036 23.871 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -8.992 -22.273 24.443 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -9.673 -22.757 23.180 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -17.324 -20.580 16.686 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -17.654 -20.950 15.867 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -16.736 -21.250 17.032 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -15.957 -17.152 19.367 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -16.052 -17.730 18.610 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -15.228 -17.523 19.863 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -5.210 -15.932 10.678 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -5.137 -14.993 10.848 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -4.305 -16.237 10.621 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -4.293 -15.701 25.656 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -4.342 -16.656 25.619 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -5.119 -15.433 26.058 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -13.314 -16.127 24.532 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -13.227 -15.301 25.007 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -14.178 -16.457 24.781 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -19.246 -13.566 16.119 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -19.094 -13.914 16.998 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -20.097 -13.922 15.864 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -9.798 -13.201 11.341 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -9.423 -13.945 10.870 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -9.794 -13.471 12.259 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -12.710 -29.632 23.503 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -12.290 -30.047 24.256 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -13.643 -29.810 23.620 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -9.384 -25.876 24.357 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -9.898 -26.002 25.154 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -9.539 -24.964 24.112 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -13.048 -27.139 10.788 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -13.302 -27.120 11.711 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -13.305 -28.011 10.487 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -12.647 -23.576 26.441 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -13.210 -24.280 26.761 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -11.821 -23.696 26.908 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -11.481 -22.667 22.438 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -11.157 -23.298 21.795 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -11.921 -23.202 23.099 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -14.703 -26.740 17.222 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -15.614 -26.683 17.511 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -14.198 -26.800 18.033 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -16.222 -25.111 13.705 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -15.290 -24.982 13.883 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -16.437 -24.441 13.056 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -10.298 -27.505 20.486 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -10.975 -27.374 21.150 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -10.784 -27.660 19.676 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -13.383 -23.952 19.109 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -12.819 -24.499 18.562 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -13.531 -24.474 19.898 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -14.213 -19.351 13.208 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -14.957 -19.858 12.885 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -14.347 -19.302 14.154 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -10.315 -26.537 11.407 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -11.253 -26.425 11.256 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -10.018 -25.680 11.713 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -12.693 -19.167 24.445 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -13.039 -19.548 25.251 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -12.893 -18.233 24.516 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -12.087 -17.892 12.233 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -12.382 -17.066 12.615 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -12.790 -18.512 12.429 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -10.443 -16.705 24.395 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -11.344 -16.522 24.127 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -10.409 -16.446 25.316 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -16.713 -16.538 16.382 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -16.186 -15.765 16.181 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -17.593 -16.313 16.080 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -15.286 -18.875 15.958 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -15.527 -17.950 16.000 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -16.026 -19.334 16.354 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -14.771 -14.726 22.273 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -14.408 -13.871 22.040 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -14.239 -15.018 23.014 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -16.602 -13.853 15.503 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -17.552 -13.748 15.555 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -16.251 -13.033 15.848 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -11.227 -18.627 21.974 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -11.653 -18.854 22.800 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -10.646 -19.365 21.791 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -9.024 -17.698 11.048 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -8.671 -18.078 11.852 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -9.973 -17.791 11.134 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -8.568 -14.075 24.443 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -9.170 -14.630 23.948 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -8.287 -13.408 23.817 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -4.520 -13.218 11.249 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -3.777 -12.632 11.109 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -5.215 -12.650 11.582 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -14.933 -16.586 9.495 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -14.694 -17.334 8.947 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -15.202 -16.974 10.327 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -15.996 -17.016 11.951 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -15.849 -17.536 12.741 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -15.999 -16.109 12.257 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -11.711 -27.101 22.740 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -11.013 -27.027 23.390 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -12.092 -27.965 22.895 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -13.727 -25.721 14.672 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -12.915 -25.217 14.718 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -13.972 -25.866 15.586 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -12.843 -28.640 15.610 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -13.190 -28.022 16.255 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -12.185 -28.139 15.129 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -15.920 -14.275 12.682 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -15.759 -13.475 12.181 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -16.117 -13.968 13.567 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -12.895 -14.723 9.633 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -13.539 -15.354 9.955 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -12.133 -15.254 9.401 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -10.410 -15.851 26.987 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -10.761 -16.707 27.230 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -9.684 -15.708 27.594 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -8.291 -14.906 9.867 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.008 -15.700 10.320 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -7.551 -14.673 9.306 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -11.984 -17.949 9.460 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -12.252 -17.769 10.361 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -12.190 -18.875 9.329 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -9.287 -19.454 24.408 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -8.542 -18.866 24.288 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -10.044 -18.872 24.471 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -16.187 -21.024 12.030 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -16.646 -21.508 12.716 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -15.932 -21.692 11.394 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -15.116 -22.781 10.293 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -15.296 -22.935 9.365 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -14.165 -22.673 10.337 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -11.878 -20.660 27.664 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -10.925 -20.576 27.636 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -12.038 -21.371 28.283 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -5.726 -20.426 9.738 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -5.999 -20.851 8.925 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -5.686 -19.495 9.521 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -10.148 -24.152 28.229 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -9.956 -25.083 28.118 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -9.291 -23.727 28.219 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -11.360 -26.501 26.032 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -12.308 -26.469 26.164 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -11.048 -27.126 26.686 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -9.726 -27.867 28.037 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -9.823 -28.819 28.031 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -10.048 -27.598 28.898 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -15.218 -12.090 11.294 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -14.285 -11.932 11.438 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -15.482 -11.415 10.669 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -4.582 -13.171 20.639 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -4.604 -12.986 21.578 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -3.892 -12.602 20.298 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -5.019 -13.604 23.561 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -5.506 -14.339 23.190 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -4.470 -13.997 24.239 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -6.568 -17.814 28.199 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -7.434 -17.919 28.593 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -6.192 -17.055 28.646 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -4.452 -30.102 28.128 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -4.102 -30.756 27.522 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -4.305 -29.265 27.688 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -12.925 -12.433 21.266 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -13.382 -11.904 20.612 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -12.762 -11.830 21.991 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -10.598 -13.555 22.211 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -11.502 -13.390 21.945 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -10.169 -12.702 22.145 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -7.993 -11.985 22.506 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -8.175 -11.069 22.295 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -7.817 -12.395 21.659 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -18.547 -14.588 18.626 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -18.766 -15.504 18.795 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -17.723 -14.448 19.092 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -16.010 -14.118 19.474 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -15.797 -15.006 19.187 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -15.945 -14.152 20.429 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -12.501 -28.454 18.619 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -13.176 -29.083 18.874 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.937 -28.938 18.016 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -10.038 -29.863 17.903 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -9.962 -29.768 16.954 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -10.314 -30.771 18.032 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -14.451 -27.813 13.144 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -14.273 -28.459 13.827 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -14.505 -26.979 13.611 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -12.573 -12.864 11.539 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -11.707 -12.498 11.361 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -12.820 -13.304 10.726 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -9.822 -30.623 27.676 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -9.746 -31.049 28.530 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -8.929 -30.609 27.334 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -6.646 -14.550 26.369 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -7.428 -14.736 25.849 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -6.718 -13.621 26.586 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -12.321 -22.962 29.746 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -11.620 -22.940 30.397 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -12.019 -23.590 29.090 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -8.969 -21.210 33.659 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -9.701 -20.982 34.232 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -8.522 -21.924 34.114 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -10.098 -22.048 31.344 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -9.519 -21.898 32.091 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -9.684 -21.577 30.621 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -6.400 -30.298 31.157 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -7.299 -30.159 31.452 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -6.148 -29.467 30.755 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -5.210 -15.932 29.534 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -5.137 -14.993 29.704 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -4.305 -16.237 29.477 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -10.315 -26.537 30.263 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -11.253 -26.425 30.112 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -10.018 -25.680 30.569 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -9.597 -24.670 31.924 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -8.705 -24.807 32.243 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -9.540 -23.879 31.387 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -4.712 -24.460 31.618 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -5.266 -24.856 30.946 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -4.611 -23.550 31.341 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -9.024 -17.698 29.904 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -8.671 -18.078 30.708 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -9.973 -17.791 29.990 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -8.158 -19.025 32.130 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -8.435 -19.753 32.686 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -7.231 -18.906 32.336 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -8.291 -14.906 28.723 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -8.008 -15.700 29.176 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -7.551 -14.673 28.162 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -11.984 -17.949 28.316 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -12.252 -17.769 29.217 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -12.190 -18.875 28.185 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -5.267 -19.557 32.569 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -4.417 -19.136 32.697 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -5.262 -20.297 33.177 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -4.873 -21.504 34.393 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -5.599 -21.983 34.791 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -4.292 -21.298 35.125 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -7.008 -26.955 28.452 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -6.398 -27.327 29.089 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -7.845 -27.377 28.648 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -7.376 -25.400 33.418 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -7.096 -26.307 33.543 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -6.617 -24.966 33.029 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -4.896 -28.070 29.995 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -4.483 -28.791 29.519 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -4.214 -27.400 30.053 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -5.111 -8.519 -16.627 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -5.062 -7.909 -15.891 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -4.685 -8.058 -17.350 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -4.719 -7.041 -14.391 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -5.408 -6.383 -14.486 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -4.704 -7.238 -13.454 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -4.452 -11.246 -9.584 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -4.102 -11.900 -10.190 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -4.305 -10.409 -10.024 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -4.932 -9.137 -11.235 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -5.849 -8.866 -11.271 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -4.809 -9.672 -12.019 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -5.931 -11.047 -13.416 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -6.744 -10.722 -13.804 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -5.698 -11.807 -13.949 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -9.822 -11.767 8.820 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -9.746 -12.193 9.674 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -8.929 -11.753 8.478 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -9.756 -7.494 16.225 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -9.110 -7.823 16.850 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -9.246 -6.976 15.602 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -7.992 -8.203 18.206 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -8.207 -8.969 18.738 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -7.336 -7.731 18.719 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -7.645 -9.488 21.885 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -8.381 -8.877 21.847 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -6.961 -9.073 21.359 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -14.642 -11.401 19.351 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -14.759 -12.350 19.297 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -15.497 -11.069 19.624 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -6.400 -11.442 12.301 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -7.299 -11.303 12.596 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -6.148 -10.611 11.899 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -17.373 -10.498 20.129 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -18.234 -10.585 19.721 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -17.395 -9.642 20.556 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -12.710 -10.776 23.503 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -12.290 -11.191 24.256 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -13.643 -10.954 23.620 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -13.048 -8.283 10.788 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -13.302 -8.264 11.711 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -13.305 -9.155 10.487 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -14.703 -7.884 17.222 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -15.614 -7.827 17.511 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -14.198 -7.944 18.033 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -10.298 -8.649 20.486 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -10.975 -8.518 21.150 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -10.784 -8.804 19.676 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -10.315 -7.681 11.407 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -11.253 -7.569 11.256 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -10.018 -6.824 11.713 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -10.927 -8.593 13.837 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -10.707 -8.121 13.034 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -10.369 -8.198 14.508 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -13.727 -6.865 14.672 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -12.915 -6.361 14.718 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -13.972 -7.010 15.586 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -12.843 -9.784 15.610 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -13.190 -9.166 16.255 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -12.185 -9.283 15.129 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -6.762 -9.281 14.611 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -6.580 -9.730 15.436 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -7.362 -9.866 14.147 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -12.501 -9.598 18.619 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -13.176 -10.227 18.874 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -11.937 -10.082 18.016 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -7.359 -11.491 18.731 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.755 -10.943 18.230 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -8.228 -11.171 18.491 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -5.632 -10.352 17.065 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -5.020 -10.866 16.538 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -5.249 -9.474 17.088 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -15.595 -11.037 16.254 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -14.721 -10.649 16.224 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -15.731 -11.252 17.177 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -8.685 -10.981 13.596 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -9.388 -10.367 13.386 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -9.130 -11.819 13.727 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -14.451 -8.957 13.144 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -14.273 -9.603 13.827 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -14.505 -8.123 13.611 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 12.008 -56.094 -13.633 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 12.148 -56.685 -14.372 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 12.176 -55.221 -13.989 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 14.563 -53.413 -12.056 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 14.514 -54.368 -12.093 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 13.737 -53.145 -11.654 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 5.542 -53.839 -13.180 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 5.629 -53.013 -12.705 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 4.678 -54.169 -12.931 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 8.413 -54.417 -13.317 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 7.512 -54.234 -13.585 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 8.447 -54.158 -12.396 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 14.108 -56.372 -12.113 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 13.256 -56.134 -12.480 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 14.698 -56.389 -12.866 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 10.288 -51.787 -13.269 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 9.686 -52.342 -13.764 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 10.569 -51.120 -13.895 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 11.558 -51.533 -17.302 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 11.402 -50.855 -17.959 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 12.490 -51.461 -17.099 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -2.728 -50.862 -11.074 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -2.188 -51.079 -10.315 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -3.209 -51.668 -11.264 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 1.869 -51.943 -9.454 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 2.637 -52.402 -9.113 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 1.848 -52.169 -10.384 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 9.569 -57.166 -13.304 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 10.314 -56.578 -13.424 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 8.812 -56.584 -13.241 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 14.274 -50.883 -17.073 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 14.252 -50.698 -16.134 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 14.964 -50.314 -17.414 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 13.837 -51.316 -14.151 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 13.350 -52.051 -14.522 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 14.386 -51.709 -13.473 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 12.288 -55.526 -9.513 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 11.422 -55.631 -9.119 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 12.664 -54.767 -9.066 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 12.229 -53.553 -14.920 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 11.581 -53.228 -14.295 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 11.711 -53.993 -15.595 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -1.603 -53.864 -10.958 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -2.424 -53.689 -11.418 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -1.855 -53.937 -10.037 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 5.662 -51.490 -11.740 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 5.847 -51.824 -10.862 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 6.509 -51.181 -12.062 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -1.247 -49.633 -14.652 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -1.967 -49.193 -15.103 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -1.613 -49.884 -13.803 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 5.931 -50.145 -16.446 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 5.474 -49.616 -17.100 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 6.094 -49.542 -15.721 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 8.258 -51.267 -15.501 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 7.354 -51.102 -15.767 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 8.687 -50.414 -15.567 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 10.863 -49.697 -15.206 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 10.681 -48.781 -15.417 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 11.039 -50.107 -16.053 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 7.760 -58.376 -2.457 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 7.849 -57.432 -2.589 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 7.121 -58.651 -3.115 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -2.695 -59.234 -1.391 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -2.481 -60.004 -0.864 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -1.957 -59.145 -1.994 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 13.745 -65.087 2.229 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 13.794 -64.477 2.965 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 14.171 -64.626 1.506 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 8.223 -62.294 1.696 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 8.366 -63.241 1.716 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 8.117 -62.087 0.767 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -2.002 -61.796 -0.270 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -1.348 -62.346 0.162 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -1.978 -62.070 -1.186 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 3.154 -60.246 -1.054 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 3.770 -60.772 -0.545 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 2.568 -60.886 -1.458 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 14.137 -63.609 4.465 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 13.448 -62.951 4.370 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 14.152 -63.806 5.402 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 10.864 -64.771 -0.650 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 10.649 -65.537 -0.118 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 11.520 -64.299 -0.137 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -0.218 -63.383 0.995 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 0.395 -62.750 1.368 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 0.294 -63.855 0.338 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -2.714 -55.964 -5.101 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -2.986 -55.735 -5.990 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -2.669 -55.126 -4.641 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 6.481 -59.132 -5.005 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 5.769 -58.597 -5.356 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 7.172 -59.076 -5.665 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 9.887 -58.922 -4.053 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 9.155 -58.694 -3.480 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 10.334 -59.636 -3.598 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 1.532 -58.292 -2.170 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 1.202 -58.662 -2.989 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 2.120 -58.962 -1.824 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 8.758 -59.760 -6.368 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 9.337 -59.610 -5.621 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 9.172 -59.289 -7.091 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 0.522 -59.222 -4.581 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 0.230 -58.454 -5.072 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -0.152 -59.882 -4.744 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 11.715 -61.920 7.280 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 11.308 -61.439 6.560 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 11.756 -62.825 6.973 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 9.472 -63.588 5.501 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 8.958 -63.714 6.298 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 9.317 -62.676 5.256 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 10.235 -58.727 -8.738 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 10.277 -58.950 -9.668 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 11.084 -58.329 -8.548 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 1.574 -62.100 2.368 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 0.932 -62.141 3.077 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 1.611 -61.174 2.130 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 1.571 -61.879 -2.720 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 0.678 -62.220 -2.779 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 2.022 -62.256 -3.476 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 7.107 -61.463 -3.903 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 6.698 -60.648 -4.195 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 7.827 -61.603 -4.518 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 6.209 -61.288 7.585 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 5.646 -61.992 7.905 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 7.035 -61.408 8.052 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 8.111 -62.017 -1.089 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 7.916 -61.412 -1.804 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 8.293 -62.851 -1.524 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -0.676 -61.780 4.235 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -0.714 -61.380 5.103 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -1.167 -62.597 4.325 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 7.375 -60.379 3.582 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 7.699 -61.010 2.939 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 6.935 -60.914 4.243 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 8.558 -65.217 1.630 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 7.881 -65.086 2.294 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 8.072 -65.372 0.820 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 5.473 -61.664 0.253 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 6.037 -62.211 -0.294 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 5.325 -62.186 1.042 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 4.099 -63.276 2.667 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 3.264 -62.822 2.777 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 4.623 -63.000 3.419 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 4.643 -57.063 -5.648 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 3.899 -57.570 -5.971 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 4.509 -57.014 -4.702 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 6.769 -55.604 -6.623 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 6.474 -54.778 -6.241 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 6.066 -56.224 -6.427 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 3.793 -59.790 7.649 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 3.497 -59.956 6.754 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 4.724 -60.010 7.639 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 9.832 -55.410 -7.808 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 10.185 -55.790 -7.004 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 8.883 -55.503 -7.722 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -1.590 -64.554 4.994 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -2.483 -64.215 4.927 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -1.689 -65.409 5.412 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 10.698 -56.737 -5.582 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 10.421 -57.465 -5.026 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 11.625 -56.618 -5.376 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 3.923 -54.298 -9.361 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 4.162 -55.046 -9.909 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 3.654 -54.686 -8.529 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 2.860 -54.728 -6.905 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 3.007 -55.248 -6.115 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 2.857 -53.821 -6.599 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -0.687 -57.475 -6.395 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -1.373 -57.123 -5.828 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -0.164 -56.712 -6.641 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 5.665 -62.447 5.001 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 5.784 -61.873 5.758 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 6.320 -63.135 5.116 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 2.936 -51.987 -6.174 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 3.097 -51.187 -6.675 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 2.739 -51.680 -5.289 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 11.869 -64.540 5.836 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 10.953 -64.277 5.748 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 12.205 -64.543 4.939 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 10.471 -60.789 -0.068 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 9.674 -61.204 -0.397 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 10.916 -61.480 0.423 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 -0.071 -54.861 -7.498 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 0.521 -54.162 -7.222 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 0.388 -55.294 -8.217 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 5.961 -52.435 -9.223 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 5.317 -53.066 -8.901 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 6.723 -52.966 -9.455 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 -2.821 -57.052 8.736 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 -2.677 -57.954 8.450 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 -3.594 -56.766 8.248 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 1.520 -56.708 -9.132 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 1.584 -57.502 -8.601 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 2.173 -56.827 -9.821 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 6.872 -55.661 -9.396 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 6.604 -55.481 -8.495 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 6.666 -56.587 -9.527 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 -1.989 -59.852 8.156 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 -1.581 -60.709 8.035 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 -2.249 -59.837 9.077 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 2.669 -58.736 -6.826 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 2.210 -59.220 -6.140 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 2.924 -59.404 -7.462 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 1.958 -60.843 5.530 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 1.340 -60.168 5.811 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 2.302 -60.522 4.697 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 13.130 -58.138 -9.118 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 12.857 -58.563 -9.931 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 13.170 -57.207 -9.335 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 2.298 -63.488 6.613 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 2.448 -64.217 6.010 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 2.300 -62.711 6.054 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 4.292 -59.679 4.345 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 5.043 -59.835 3.772 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 3.953 -58.827 4.069 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 8.708 -61.864 9.373 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 8.900 -62.795 9.262 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 9.565 -61.439 9.363 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 10.024 -59.075 7.451 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 9.743 -58.366 6.873 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 10.967 -59.148 7.300 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 0.776 -62.290 8.524 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 0.009 -62.822 8.314 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 1.455 -62.600 7.925 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 -2.794 -55.166 -8.079 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 -1.880 -55.087 -7.806 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -2.787 -55.853 -8.746 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 12.288 -55.526 9.343 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 11.422 -55.631 9.737 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 12.664 -54.767 9.790 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 13.983 -59.216 -3.319 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 13.257 -59.695 -2.921 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 14.564 -59.010 -2.587 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 14.251 -59.315 -6.928 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 13.730 -58.958 -7.647 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 14.218 -58.640 -6.250 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 11.770 -60.695 -2.756 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 11.620 -61.640 -2.776 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 11.416 -60.414 -1.912 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 12.626 -58.725 6.883 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 13.209 -59.459 7.074 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 13.190 -57.953 6.929 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 14.123 -60.822 7.567 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 13.260 -61.201 7.402 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 14.727 -61.561 7.493 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 12.092 -62.531 1.142 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 13.025 -62.319 1.108 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 11.857 -62.429 2.065 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 12.121 -61.794 3.918 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 11.278 -61.526 4.284 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 12.564 -60.972 3.707 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 -3.597 -63.346 7.395 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 -2.678 -63.468 7.631 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 -4.047 -64.096 7.784 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 -4.072 -62.035 1.355 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 -3.580 -62.256 0.565 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 -3.710 -61.194 1.636 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 -2.581 -51.786 -5.714 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 -3.266 -51.824 -6.382 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 -2.578 -50.873 -5.426 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 -0.763 -50.866 -8.689 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 -1.031 -50.579 -7.816 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 0.008 -51.412 -8.537 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 7.760 -58.376 16.399 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 7.849 -57.432 16.267 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 7.121 -58.651 15.741 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 6.693 -59.121 19.818 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 6.655 -59.767 20.523 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 6.370 -59.587 19.047 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 10.399 -56.182 18.120 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 9.958 -56.902 18.570 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 10.386 -55.461 18.750 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 -0.015 -55.056 19.946 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 -0.385 -55.858 19.577 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 0.926 -55.225 19.993 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 -2.695 -59.234 17.465 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 -2.481 -60.004 17.992 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 -1.957 -59.145 16.862 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 5.082 -56.688 20.224 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 5.386 -57.374 19.630 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 5.804 -56.570 20.842 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 3.154 -60.246 17.802 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 3.770 -60.772 18.311 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 2.568 -60.886 17.398 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 2.757 -57.599 22.186 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 2.017 -57.001 22.289 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 3.471 -57.045 21.870 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 1.165 -55.635 22.973 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 1.159 -54.756 22.595 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 0.311 -55.718 23.398 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 -2.714 -55.964 13.755 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 -2.986 -55.735 12.866 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 -2.669 -55.126 14.215 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 10.911 -54.342 20.468 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 9.969 -54.284 20.629 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 11.187 -53.436 20.331 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 6.481 -59.132 13.851 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 5.769 -58.597 13.500 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 7.172 -59.076 13.191 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 6.535 -60.674 10.890 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 7.236 -60.652 11.541 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 6.837 -61.302 10.234 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 9.887 -58.922 14.803 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 9.155 -58.694 15.376 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 10.334 -59.636 15.258 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 1.532 -58.292 16.686 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 1.202 -58.662 15.867 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 2.120 -58.962 17.032 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 1.899 -59.523 20.319 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 2.464 -59.402 19.556 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 2.218 -58.886 20.958 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 8.208 -54.020 21.053 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 7.967 -53.358 21.701 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 8.010 -54.854 21.478 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 8.758 -59.760 12.488 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 9.337 -59.610 13.235 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 9.172 -59.289 11.765 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 0.522 -59.222 14.275 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 0.230 -58.454 13.784 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 -0.152 -59.882 14.112 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 13.646 -53.644 10.678 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 13.719 -52.705 10.848 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 14.551 -53.949 10.621 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 -3.634 -54.079 19.974 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 -2.688 -54.223 19.955 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 -3.747 -53.295 20.511 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 5.542 -53.839 24.532 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 5.629 -53.013 25.007 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 4.678 -54.169 24.781 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 10.235 -58.727 10.118 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 10.277 -58.950 9.188 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 11.084 -58.329 10.308 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 1.571 -61.879 16.136 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 0.678 -62.220 16.077 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 2.022 -62.256 15.380 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 1.308 -61.628 11.272 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 0.766 -62.008 10.581 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 2.142 -61.434 10.843 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 -0.232 -57.768 18.977 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 0.513 -57.770 18.376 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 -0.154 -58.592 19.459 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 8.413 -54.417 24.395 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 7.512 -54.234 24.127 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 8.447 -54.158 25.316 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 12.440 -53.386 13.227 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 12.067 -54.212 13.537 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 12.717 -53.569 12.330 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 9.600 -58.578 20.249 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 8.672 -58.810 20.222 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 10.051 -59.355 19.919 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 -2.102 -59.388 10.969 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 -1.486 -58.761 11.348 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 -2.964 -59.072 11.240 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 4.085 -52.438 22.273 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 4.448 -51.583 22.040 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 4.617 -52.730 23.014 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 7.629 -56.339 21.974 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 7.203 -56.566 22.800 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 8.210 -57.077 21.791 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 9.832 -55.410 11.048 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 10.185 -55.790 11.852 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.883 -55.503 11.134 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 10.288 -51.787 24.443 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 9.686 -52.342 23.948 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 10.569 -51.120 23.817 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 14.336 -50.930 11.249 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 15.079 -50.344 11.109 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 13.641 -50.362 11.582 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 10.698 -56.737 13.274 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 10.421 -57.465 13.830 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 11.625 -56.618 13.480 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 -1.939 -52.749 22.285 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 -1.722 -53.681 22.254 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 -1.692 -52.475 23.169 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 -0.687 -57.475 12.461 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 -1.373 -57.123 13.028 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 -0.164 -56.712 12.215 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 -2.728 -50.862 26.638 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 -2.188 -51.079 27.397 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 -3.209 -51.668 26.448 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 1.520 -56.708 9.724 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 1.584 -57.502 10.255 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 2.173 -56.827 9.035 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 2.669 -58.736 12.030 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 2.210 -59.220 12.716 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 2.924 -59.404 11.394 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 3.740 -60.493 10.293 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 3.560 -60.647 9.365 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 4.691 -60.385 10.337 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 13.130 -58.138 9.738 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 12.857 -58.563 8.925 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 13.170 -57.207 9.521 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 -2.794 -55.166 10.777 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 -1.880 -55.087 11.050 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 -2.787 -55.853 10.110 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 13.837 -51.316 23.561 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 13.350 -52.051 23.190 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 14.386 -51.709 24.239 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 13.742 -56.431 20.485 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 14.576 -56.809 20.204 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 13.854 -55.488 20.366 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 12.229 -53.553 22.792 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 11.581 -53.228 23.417 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 11.711 -53.993 22.117 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 14.251 -59.315 11.928 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 13.730 -58.958 11.209 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 14.218 -58.640 12.606 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 -3.195 -58.617 20.110 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 -3.011 -58.699 19.175 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 -2.346 -58.741 20.534 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 1.351 -52.889 23.013 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 0.926 -52.080 22.730 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 2.256 -52.804 22.711 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 5.662 -51.490 25.972 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 5.847 -51.824 26.850 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 6.509 -51.181 25.650 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 8.007 -50.205 25.216 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 8.684 -50.837 24.976 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 8.329 -49.803 26.024 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 -1.247 -49.633 23.060 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 -1.967 -49.193 22.609 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 -1.613 -49.884 23.909 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 1.220 -50.033 22.090 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 0.355 -49.961 22.494 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 1.165 -49.486 21.306 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 10.863 -49.697 22.506 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 10.681 -48.781 22.295 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 11.039 -50.107 21.659 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 -1.832 -51.010 19.971 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 -1.851 -51.435 20.828 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 -1.027 -51.328 19.562 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 3.638 -49.802 30.150 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 4.571 -49.644 30.294 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 3.374 -49.127 29.525 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 -0.763 -50.866 29.023 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 -1.031 -50.579 29.896 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 0.008 -51.412 29.175 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 6.693 -40.265 -17.894 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 6.655 -40.911 -17.189 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 6.370 -40.731 -18.665 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 -0.015 -36.200 -17.766 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 -0.385 -37.002 -18.135 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 0.926 -36.369 -17.719 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -2.695 -40.378 -20.247 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -2.481 -41.148 -19.720 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -1.957 -40.289 -20.850 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 5.082 -37.832 -17.488 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 5.386 -38.518 -18.082 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 5.804 -37.714 -16.870 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 13.745 -46.231 -16.627 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 13.794 -45.621 -15.891 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 14.171 -45.770 -17.350 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 8.223 -43.438 -17.160 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 8.366 -44.385 -17.140 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 8.117 -43.231 -18.089 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 1.378 -45.337 -19.888 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 1.421 -44.477 -20.306 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 0.920 -45.889 -20.521 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 -2.002 -42.940 -19.126 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 -1.348 -43.490 -18.694 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 -1.978 -43.214 -20.042 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 3.154 -41.390 -19.910 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 3.770 -41.916 -19.401 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 2.568 -42.030 -20.314 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 0.188 -46.419 -15.814 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 -0.031 -45.889 -16.580 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 -0.480 -46.192 -15.166 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 2.757 -38.743 -15.526 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 2.017 -38.145 -15.423 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 3.471 -38.189 -15.842 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 -0.218 -44.527 -17.861 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 0.395 -43.894 -17.488 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 0.294 -44.999 -18.518 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 1.165 -36.779 -14.739 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 1.159 -35.900 -15.117 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 0.311 -36.862 -14.314 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 11.211 -47.200 -15.827 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 10.475 -46.589 -15.865 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 11.895 -46.785 -16.353 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 12.008 -37.238 -13.633 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 12.148 -37.829 -14.372 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 12.176 -36.365 -13.989 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 13.850 -40.898 -15.567 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 13.198 -40.203 -15.478 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 14.315 -40.688 -16.377 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 1.532 -39.436 -21.026 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 1.202 -39.806 -21.845 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 2.120 -40.106 -20.680 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 2.899 -36.008 -18.345 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 2.804 -36.586 -19.102 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 3.628 -36.379 -17.849 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 1.899 -40.667 -17.393 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 2.464 -40.546 -18.156 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 2.218 -40.030 -16.754 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 -3.634 -35.223 -17.738 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 -2.688 -35.367 -17.757 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 -3.747 -34.439 -17.201 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 14.563 -34.557 -12.056 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 14.514 -35.512 -12.093 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 13.737 -34.289 -11.654 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 5.542 -34.983 -13.180 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 5.629 -34.157 -12.705 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 4.678 -35.313 -12.931 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 1.483 -48.210 -17.583 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 0.622 -48.297 -17.991 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 1.461 -47.354 -17.156 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 6.146 -48.488 -14.209 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 6.566 -48.903 -13.456 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 5.213 -48.666 -14.092 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 1.571 -43.023 -21.576 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 0.678 -43.364 -21.635 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 2.022 -43.400 -22.332 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 7.375 -41.523 -15.274 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 7.699 -42.154 -15.917 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 6.935 -42.058 -14.613 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 -1.019 -43.967 -21.663 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 -1.908 -43.867 -22.003 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 -0.723 -44.809 -22.009 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 8.558 -46.361 -17.226 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 7.881 -46.230 -16.562 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 8.072 -46.516 -18.036 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 11.845 -30.689 -10.949 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 12.045 -30.265 -11.784 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 12.501 -30.346 -10.342 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 5.473 -42.808 -18.603 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 6.037 -43.355 -19.150 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 5.325 -43.330 -17.814 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 4.099 -44.420 -16.189 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 3.264 -43.966 -16.079 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 4.623 -44.144 -15.437 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 11.793 -39.074 -15.718 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 12.435 -38.617 -16.261 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 10.963 -38.961 -16.180 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 6.163 -38.023 -13.267 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 5.817 -38.404 -12.461 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 5.963 -37.089 -13.196 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 -0.232 -38.912 -18.735 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 0.513 -38.914 -19.336 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 -0.154 -39.736 -18.253 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 8.413 -35.561 -13.317 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 7.512 -35.378 -13.585 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 8.447 -35.302 -12.396 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 14.108 -37.516 -12.113 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 13.256 -37.278 -12.480 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 14.698 -37.533 -12.866 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 9.600 -39.722 -17.463 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 8.672 -39.954 -17.490 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 10.051 -40.499 -17.793 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 4.085 -33.582 -15.439 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 4.448 -32.727 -15.672 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 4.617 -33.874 -14.698 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 7.629 -37.483 -15.738 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 7.203 -37.710 -14.912 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 8.210 -38.221 -15.921 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 10.288 -32.931 -13.269 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 9.686 -33.486 -13.764 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 10.569 -32.264 -13.895 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 7.145 -45.957 -14.972 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 7.843 -45.883 -14.322 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 6.764 -46.821 -14.817 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 5.665 -43.591 -13.855 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 5.784 -43.017 -13.098 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 6.320 -44.279 -13.740 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 8.446 -34.707 -10.725 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 8.095 -35.563 -10.482 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 9.172 -34.564 -10.118 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 2.710 -46.262 -14.751 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 3.246 -45.811 -15.403 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 1.858 -46.370 -15.173 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 4.292 -40.823 -14.511 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 5.043 -40.979 -15.084 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 3.953 -39.971 -14.787 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 3.516 -48.806 -14.319 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 3.418 -47.859 -14.425 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 2.773 -49.178 -14.795 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 3.738 -49.512 -11.648 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 4.450 -50.152 -11.662 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 3.637 -49.245 -12.562 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 -3.275 -32.836 -20.053 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 -3.609 -33.717 -19.881 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 -3.053 -32.491 -19.189 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 13.837 -32.460 -14.151 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 13.350 -33.195 -14.522 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 14.386 -32.853 -13.473 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 13.742 -37.575 -17.227 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 14.576 -37.953 -17.508 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 13.854 -36.632 -17.346 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 12.229 -34.697 -14.920 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 11.581 -34.372 -14.295 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 11.711 -35.137 -15.595 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 12.092 -43.675 -17.714 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 13.025 -43.463 -17.748 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 11.857 -43.573 -16.791 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 12.121 -42.938 -14.938 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 11.278 -42.670 -14.572 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 12.564 -42.116 -15.149 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 -2.376 -46.178 -18.570 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 -1.931 -46.970 -18.268 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 -1.910 -45.462 -18.139 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 -4.072 -43.179 -17.501 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 -3.580 -43.400 -18.291 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 -3.710 -42.338 -17.220 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 -3.795 -48.183 -15.102 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 -4.460 -48.429 -14.459 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 -4.238 -47.561 -15.679 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 1.351 -34.033 -14.699 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 0.926 -33.224 -14.982 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 2.256 -33.948 -15.001 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 5.662 -32.634 -11.740 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 5.847 -32.968 -10.862 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 6.509 -32.325 -12.062 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 8.007 -31.349 -12.496 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 8.684 -31.981 -12.736 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 8.329 -30.947 -11.688 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 5.931 -31.289 -16.446 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 5.474 -30.760 -17.100 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 6.094 -30.686 -15.721 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 8.258 -32.411 -15.501 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 7.354 -32.246 -15.767 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 8.687 -31.558 -15.567 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 10.863 -30.841 -15.206 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 10.681 -29.925 -15.417 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 11.039 -31.251 -16.053 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 -1.832 -32.154 -17.741 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 -1.851 -32.579 -16.884 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 -1.027 -32.472 -18.150 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 0.309 -33.444 -19.086 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 0.090 -34.360 -18.917 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 1.133 -33.304 -18.620 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 2.846 -32.974 -18.238 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 3.059 -33.862 -18.525 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 2.911 -33.008 -17.283 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 12.210 -33.406 -11.343 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 11.428 -33.592 -11.863 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 12.138 -32.477 -11.126 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 -4.145 -30.917 -3.002 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 -4.792 -31.379 -3.535 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 -3.790 -31.589 -2.419 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 -3.275 -32.836 -1.197 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 -3.609 -33.717 -1.025 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 -3.053 -32.491 -0.333 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 14.404 -48.958 9.272 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 14.754 -49.612 8.666 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 14.551 -48.121 8.832 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 14.137 -44.753 23.321 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 13.448 -44.095 23.226 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 14.152 -44.950 24.258 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 9.784 -41.892 23.871 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 9.864 -41.129 24.443 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 9.183 -41.613 23.180 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 1.018 -34.196 25.800 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 1.026 -34.332 24.852 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 0.102 -34.314 26.052 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 11.715 -43.064 26.136 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 11.308 -42.583 25.416 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 11.756 -43.969 25.829 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 11.845 -30.689 26.763 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 12.045 -30.265 25.928 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 12.501 -30.346 27.370 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 11.869 -45.684 24.692 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 10.953 -45.421 24.604 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 12.205 -45.687 23.795 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 1.869 -33.087 28.258 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 2.637 -33.546 28.599 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 1.848 -33.313 27.328 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 8.446 -34.707 26.987 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 8.095 -35.563 27.230 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 9.172 -34.564 27.594 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 -2.821 -38.196 27.592 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 -2.677 -39.098 27.306 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 -3.594 -37.910 27.104 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 6.978 -39.516 27.664 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 7.931 -39.432 27.636 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 6.818 -40.227 28.283 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 8.708 -43.008 28.229 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 8.900 -43.939 28.118 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 9.565 -42.583 28.219 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 10.024 -40.219 26.307 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 9.743 -39.510 25.729 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 10.967 -40.292 26.156 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 4.780 -44.484 26.956 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 4.544 -44.704 27.858 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 3.997 -44.691 26.447 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 9.130 -46.723 28.037 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 9.033 -47.675 28.031 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 8.808 -46.454 28.898 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 3.738 -49.512 26.064 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 4.450 -50.152 26.050 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 3.637 -49.245 25.150 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 4.091 -47.829 28.118 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 3.960 -48.305 27.297 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 3.492 -47.085 28.062 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 12.288 -36.670 28.199 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 11.422 -36.775 28.593 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 12.664 -35.911 28.646 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 14.123 -41.966 26.423 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 13.260 -42.345 26.258 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 14.727 -42.705 26.349 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 12.121 -42.938 22.774 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 11.278 -42.670 23.140 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 12.564 -42.116 22.563 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 13.924 -46.849 26.477 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 13.007 -46.578 26.441 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 14.047 -47.384 25.693 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 -3.795 -48.183 22.610 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 -4.460 -48.429 23.253 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 -4.238 -47.561 22.033 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 5.662 -32.634 25.972 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 5.847 -32.968 26.850 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 6.509 -32.325 25.650 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 12.925 -48.759 24.296 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 12.112 -48.434 23.908 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 13.158 -49.519 23.763 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 -1.361 -48.162 25.958 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 -1.727 -48.927 26.401 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 -0.448 -48.133 26.245 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 0.612 -48.811 27.494 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 1.511 -49.085 27.309 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 0.226 -49.554 27.958 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 9.034 -49.479 27.676 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 9.110 -49.905 28.530 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 9.927 -49.465 27.334 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 12.210 -33.406 26.369 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 11.428 -33.592 25.849 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 12.138 -32.477 26.586 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 6.535 -41.818 29.746 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 7.236 -41.796 30.397 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 6.837 -42.446 29.090 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 13.646 -34.788 29.534 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 13.719 -33.849 29.704 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 14.551 -35.093 29.477 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 10.235 -39.871 28.974 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.277 -40.094 28.044 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 11.084 -39.473 29.164 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 5.808 -45.995 29.644 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 5.554 -45.976 30.567 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 5.551 -46.867 29.343 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 2.690 -45.550 28.745 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 2.259 -45.995 29.475 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 1.972 -45.178 28.233 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 -2.793 -45.062 31.221 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 -2.319 -44.471 30.636 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 -3.511 -44.531 31.568 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 2.634 -43.967 32.561 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 3.566 -43.838 32.739 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 2.419 -43.297 31.912 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 1.308 -42.772 30.128 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 0.766 -43.152 29.437 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 2.142 -42.578 29.699 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 8.541 -45.393 30.263 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 7.603 -45.281 30.112 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 8.838 -44.536 30.569 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 -2.102 -40.532 29.825 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 -1.486 -39.905 30.204 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -2.964 -40.216 30.096 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 9.832 -36.554 29.904 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.185 -36.934 30.708 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 8.883 -36.647 29.990 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 14.336 -32.074 30.105 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 15.079 -31.488 29.965 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 13.641 -31.506 30.438 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 3.923 -35.442 28.351 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 4.162 -36.190 27.803 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 3.654 -35.830 29.183 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 2.860 -35.872 30.807 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 3.007 -36.392 31.597 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 2.857 -34.965 31.113 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 -0.687 -38.619 31.317 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 -1.373 -38.267 31.884 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 -0.164 -37.856 31.071 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 1.670 -46.433 31.154 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 1.587 -45.544 31.500 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 2.560 -46.698 31.385 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 -0.071 -36.005 30.214 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 0.521 -35.306 30.490 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 0.388 -36.438 29.495 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 -1.755 -43.341 29.330 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 -1.800 -42.402 29.509 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 -2.643 -43.577 29.060 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 5.961 -33.579 28.489 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 5.317 -34.210 28.811 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 6.723 -34.110 28.257 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 10.565 -33.762 28.723 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 10.848 -34.556 29.176 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 11.305 -33.529 28.162 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 1.520 -37.852 28.580 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 1.584 -38.646 29.111 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 2.173 -37.971 27.891 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 6.872 -36.805 28.316 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 6.604 -36.625 29.217 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 6.666 -37.731 28.185 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 2.669 -39.880 30.886 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 2.210 -40.364 31.572 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 2.924 -40.548 30.250 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 3.740 -41.637 29.149 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 3.560 -41.791 28.221 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 4.691 -41.529 29.193 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 13.130 -39.282 28.594 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 12.857 -39.707 27.781 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 13.170 -38.351 28.377 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 3.638 -30.946 30.150 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 4.571 -30.788 30.294 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 3.374 -30.271 29.525 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 -2.794 -36.310 29.633 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 -1.880 -36.231 29.906 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 -2.787 -36.997 28.966 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 -2.581 -32.930 31.998 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 -3.266 -32.968 31.330 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 -2.578 -32.017 32.286 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 -0.621 -46.962 29.543 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 -0.130 -47.592 29.015 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 0.002 -46.666 30.206 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 -0.763 -32.010 29.023 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 -1.031 -31.723 29.896 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 0.008 -32.556 29.175 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 6.693 -21.409 -17.894 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 6.655 -22.055 -17.189 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 6.370 -21.875 -18.665 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 -0.939 -21.794 -16.301 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 -0.897 -22.420 -15.577 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 -0.236 -21.171 -16.119 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 10.399 -18.470 -19.592 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 9.958 -19.190 -19.142 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 10.386 -17.749 -18.962 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 -0.015 -17.344 -17.766 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 -0.385 -18.146 -18.135 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 0.926 -17.513 -17.719 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 7.510 -13.365 -19.380 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 8.130 -14.042 -19.653 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 7.302 -13.583 -18.472 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 5.082 -18.976 -17.488 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 5.386 -19.662 -18.082 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 5.804 -18.858 -16.870 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 8.223 -24.582 -17.160 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 8.366 -25.529 -17.140 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 8.117 -24.375 -18.089 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 14.137 -25.897 -14.391 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 13.448 -25.239 -14.486 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 14.152 -26.094 -13.454 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 0.188 -27.563 -15.814 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 -0.031 -27.033 -16.580 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 -0.480 -27.336 -15.166 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 2.757 -19.887 -15.526 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 2.017 -19.289 -15.423 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 3.471 -19.333 -15.842 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 -0.218 -25.671 -17.861 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 0.395 -25.038 -17.488 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 0.294 -26.143 -18.518 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 11.211 -28.344 -15.827 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 10.475 -27.733 -15.865 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 11.895 -27.929 -16.353 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 4.214 -30.257 -18.361 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 4.097 -31.206 -18.415 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 3.359 -29.925 -18.088 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 9.163 -14.849 -20.619 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 9.588 -15.556 -21.104 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 9.480 -14.048 -21.036 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 10.322 -16.948 -22.110 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 10.065 -17.638 -22.722 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 10.393 -17.391 -21.265 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 13.850 -22.042 -15.567 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 13.198 -21.347 -15.478 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 14.315 -21.832 -16.377 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.784 -23.036 -13.841 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 9.864 -22.273 -13.269 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 9.183 -22.757 -14.532 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 2.899 -17.152 -18.345 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 2.804 -17.730 -19.102 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 3.628 -17.523 -17.849 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 1.899 -21.811 -17.393 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 2.464 -21.690 -18.156 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 2.218 -21.174 -16.754 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 -0.301 -21.214 -13.447 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 -0.231 -20.563 -12.749 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 -1.192 -21.111 -13.782 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 -3.385 -19.147 -14.622 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 -3.886 -19.175 -15.437 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 -3.379 -20.053 -14.312 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 -3.634 -16.367 -17.738 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 -2.688 -16.511 -17.757 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 -3.747 -15.583 -17.201 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 -0.390 -13.566 -21.593 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 -0.238 -13.914 -20.714 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 -1.241 -13.922 -21.848 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 -1.136 -17.824 -13.579 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 -0.919 -18.185 -12.719 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 -1.991 -18.198 -13.789 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 1.483 -29.354 -17.583 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 0.622 -29.441 -17.991 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 1.461 -28.498 -17.156 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 6.146 -29.632 -14.209 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 6.566 -30.047 -13.456 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 5.213 -29.810 -14.092 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 1.574 -24.388 -16.488 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 0.932 -24.429 -15.779 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 1.611 -23.462 -16.726 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 -0.676 -24.068 -14.621 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 -0.714 -23.668 -13.753 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 -1.167 -24.885 -14.531 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 7.375 -22.667 -15.274 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 7.699 -23.298 -15.917 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 6.935 -23.202 -14.613 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 8.558 -27.505 -17.226 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 7.881 -27.374 -16.562 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 8.072 -27.660 -18.036 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 -0.557 -19.359 -11.341 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 0.176 -19.105 -10.780 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 -1.337 -19.155 -10.826 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 5.473 -23.952 -18.603 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 6.037 -24.499 -19.150 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 5.325 -24.474 -17.814 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 4.099 -25.564 -16.189 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 3.264 -25.110 -16.079 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 4.623 -25.288 -15.437 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 11.793 -20.218 -15.718 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 12.435 -19.761 -16.261 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 10.963 -20.105 -16.180 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 -0.232 -20.056 -18.735 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 0.513 -20.058 -19.336 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 -0.154 -20.880 -18.253 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 -3.224 -21.595 -13.420 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 -3.001 -22.013 -12.588 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 -3.826 -22.208 -13.842 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 9.600 -20.866 -17.463 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 8.672 -21.098 -17.490 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 10.051 -21.643 -17.793 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 7.629 -18.627 -15.738 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 7.203 -18.854 -14.912 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 8.210 -19.365 -15.921 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 -1.939 -15.037 -15.427 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 -1.722 -15.969 -15.458 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 -1.692 -14.763 -14.543 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 7.145 -27.101 -14.972 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 7.843 -27.027 -14.322 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 6.764 -27.965 -14.817 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 11.869 -26.828 -13.020 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 10.953 -26.565 -13.108 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 12.205 -26.831 -13.917 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 11.558 -13.821 -17.302 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 11.402 -13.143 -17.959 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 12.490 -13.749 -17.099 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 -0.947 -29.703 -18.565 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 -1.176 -29.644 -19.492 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 -1.390 -30.495 -18.258 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 -2.728 -13.150 -11.074 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 -2.188 -13.367 -10.315 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 -3.209 -13.956 -11.264 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 -2.821 -19.340 -10.120 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 -2.677 -20.242 -10.406 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 -3.594 -19.054 -10.608 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 -1.989 -22.140 -10.700 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 -1.581 -22.997 -10.821 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 -2.249 -22.125 -9.779 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 1.958 -23.131 -13.326 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 1.340 -22.456 -13.045 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 2.302 -22.810 -14.159 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 2.710 -27.406 -14.751 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 3.246 -26.955 -15.403 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 1.858 -27.514 -15.173 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 4.292 -21.967 -14.511 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 5.043 -22.123 -15.084 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 3.953 -21.115 -14.787 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 -3.275 -13.980 -20.053 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 -3.609 -14.861 -19.881 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 -3.053 -13.635 -19.189 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 14.123 -23.110 -11.289 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 13.260 -23.489 -11.454 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 14.727 -23.849 -11.363 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 12.121 -24.082 -14.938 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 11.278 -23.814 -14.572 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 12.564 -23.260 -15.149 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 14.404 -30.102 -9.584 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 14.754 -30.756 -10.190 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 14.551 -29.265 -10.024 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 -2.376 -27.322 -18.570 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 -1.931 -28.114 -18.268 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 -1.910 -26.606 -18.139 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 13.924 -27.993 -11.235 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 13.007 -27.722 -11.271 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 14.047 -28.528 -12.019 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 11.012 -13.081 -21.501 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 11.665 -13.428 -22.109 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 11.523 -12.592 -20.855 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 -3.795 -29.327 -15.102 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 -4.460 -29.573 -14.459 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 -4.238 -28.705 -15.679 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 -1.603 -16.152 -10.958 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 -2.424 -15.977 -11.418 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 -1.855 -16.225 -10.037 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 12.925 -29.903 -13.416 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 12.112 -29.578 -13.804 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 13.158 -30.663 -13.949 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 5.931 -12.433 -16.446 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 5.474 -11.904 -17.100 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 6.094 -11.830 -15.721 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 -1.832 -13.298 -17.741 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 -1.851 -13.723 -16.884 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 -1.027 -13.616 -18.150 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 0.309 -14.588 -19.086 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 0.090 -15.504 -18.917 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 1.133 -14.448 -18.620 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 2.846 -14.118 -18.238 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 3.059 -15.006 -18.525 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 2.911 -14.152 -17.283 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 12.992 -13.301 -23.493 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 12.798 -14.049 -24.058 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 12.953 -12.543 -24.077 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 7.760 -20.664 -2.457 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 7.849 -19.720 -2.589 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 7.121 -20.939 -3.115 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 -0.939 -21.794 2.555 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 -0.897 -22.420 3.279 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 -0.236 -21.171 2.737 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 10.399 -18.470 -0.736 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 9.958 -19.190 -0.286 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 10.386 -17.749 -0.106 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 -0.015 -17.344 1.090 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 -0.385 -18.146 0.721 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 0.926 -17.513 1.137 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 -3.405 -23.684 -3.517 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 -3.853 -22.838 -3.535 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 -3.966 -24.264 -4.032 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 -2.695 -21.522 -1.391 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 -2.481 -22.292 -0.864 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 -1.957 -21.433 -1.994 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 7.510 -13.365 -0.524 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 8.130 -14.042 -0.797 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 7.302 -13.583 0.384 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 -2.002 -24.084 -0.270 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 -1.348 -24.634 0.162 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 -1.978 -24.358 -1.186 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 -0.218 -25.671 0.995 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 0.395 -25.038 1.368 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 0.294 -26.143 0.338 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 1.165 -17.923 4.117 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 1.159 -17.044 3.739 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 0.311 -18.006 4.542 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 9.163 -14.849 -1.763 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 9.588 -15.556 -2.248 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 9.480 -14.048 -2.180 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 10.322 -16.948 -3.254 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 10.065 -17.638 -3.866 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 10.393 -17.391 -2.409 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 9.887 -21.210 -4.053 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 9.155 -20.982 -3.480 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 10.334 -21.924 -3.598 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 1.899 -21.811 1.463 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 2.464 -21.690 0.700 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 2.218 -21.174 2.102 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 8.208 -16.308 2.197 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 7.967 -15.646 2.845 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 8.010 -17.142 2.622 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 -0.301 -21.214 5.409 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 -0.231 -20.563 6.107 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 -1.192 -21.111 5.074 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 1.018 -15.340 6.944 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 1.026 -15.476 5.996 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 0.102 -15.458 7.196 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 13.646 -15.932 -8.178 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 13.719 -14.993 -8.008 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 14.551 -16.237 -8.235 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 -3.385 -19.147 4.234 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 -3.886 -19.175 3.419 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 -3.379 -20.053 4.544 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 -3.634 -16.367 1.118 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 -2.688 -16.511 1.099 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 -3.747 -15.583 1.655 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 14.563 -15.701 6.800 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 14.514 -16.656 6.763 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 13.737 -15.433 7.202 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 5.542 -16.127 5.676 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 5.629 -15.301 6.151 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 4.678 -16.457 5.925 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 -0.390 -13.566 -2.737 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 -0.238 -13.914 -1.858 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 -1.241 -13.922 -2.992 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 -1.136 -17.824 5.277 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 -0.919 -18.185 6.137 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 -1.991 -18.198 5.067 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 -0.557 -19.359 7.515 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 0.176 -19.105 8.076 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 -1.337 -19.155 8.030 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 -3.224 -21.595 5.436 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 -3.001 -22.013 6.268 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 -3.826 -22.208 5.014 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 8.413 -16.705 5.539 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 7.512 -16.522 5.271 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 8.447 -16.446 6.460 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 14.144 -24.460 -6.094 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 13.590 -24.856 -6.766 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 14.245 -23.550 -6.371 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 14.108 -18.660 6.743 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 13.256 -18.422 6.376 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 14.698 -18.677 5.990 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 12.440 -15.674 -5.629 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 12.067 -16.500 -5.319 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 12.717 -15.857 -6.526 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 -2.102 -21.676 -7.887 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 -1.486 -21.049 -7.508 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 -2.964 -21.360 -7.616 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 4.085 -14.726 3.417 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 4.448 -13.871 3.184 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 4.617 -15.018 4.158 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 2.254 -13.853 -3.353 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 1.304 -13.748 -3.301 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 2.605 -13.033 -3.008 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 10.288 -14.075 5.587 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 9.686 -14.630 5.092 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 10.569 -13.408 4.961 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 -1.590 -26.842 4.994 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 -2.483 -26.503 4.927 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 -1.689 -27.697 5.412 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 10.698 -19.025 -5.582 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 10.421 -19.753 -5.026 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 11.625 -18.906 -5.376 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 -1.939 -15.037 3.429 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 -1.722 -15.969 3.398 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 -1.692 -14.763 4.313 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 11.558 -13.821 1.554 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 11.402 -13.143 0.897 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 12.490 -13.749 1.757 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 -0.947 -29.703 0.291 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 -1.176 -29.644 -0.636 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 -1.390 -30.495 0.598 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 1.869 -14.231 9.402 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 2.637 -14.690 9.743 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 1.848 -14.457 8.472 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 8.446 -15.851 8.131 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 8.095 -16.707 8.374 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 9.172 -15.708 8.738 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 -2.821 -19.340 8.736 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 -2.677 -20.242 8.450 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 -3.594 -19.054 8.248 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 -1.989 -22.140 8.156 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 -1.581 -22.997 8.035 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 -2.249 -22.125 9.077 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 13.130 -20.426 -9.118 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 12.857 -20.851 -9.931 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 13.170 -19.495 -9.335 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 -2.794 -17.454 -8.079 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 -1.880 -17.375 -7.806 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 -2.787 -18.141 -8.746 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 -3.275 -13.980 -1.197 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 -3.609 -14.861 -1.025 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 -3.053 -13.635 -0.333 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 14.274 -13.171 1.783 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 14.252 -12.986 2.722 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 14.964 -12.602 1.442 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 13.837 -13.604 4.705 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 13.350 -14.339 4.334 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 14.386 -13.997 5.383 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 12.288 -17.814 9.343 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 11.422 -17.919 9.737 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 12.664 -17.055 9.790 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 13.589 -19.557 -5.143 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 14.439 -19.136 -5.015 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 13.594 -20.297 -4.535 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 13.983 -21.504 -3.319 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 13.257 -21.983 -2.921 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 14.564 -21.298 -2.587 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 14.251 -21.603 -6.928 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 13.730 -21.246 -7.647 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 14.218 -20.928 -6.250 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 11.770 -22.983 -2.756 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 11.620 -23.928 -2.776 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 11.416 -22.702 -1.912 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 -3.195 -20.905 1.254 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 -3.011 -20.987 0.319 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 -2.346 -21.029 1.678 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 -3.597 -25.634 7.395 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 -2.678 -25.756 7.631 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 -4.047 -26.384 7.784 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 -4.072 -24.323 1.355 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 -3.580 -24.544 0.565 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 -3.710 -23.482 1.636 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 13.960 -28.070 -7.717 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 14.373 -28.791 -8.193 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 14.642 -27.400 -7.659 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 11.012 -13.081 -2.645 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 11.665 -13.428 -3.253 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 11.523 -12.592 -1.999 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 -3.795 -29.327 3.754 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 -4.460 -29.573 4.397 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 -4.238 -28.705 3.177 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 -1.603 -16.152 7.898 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 -2.424 -15.977 7.438 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 -1.855 -16.225 8.819 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 1.351 -15.177 4.157 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 0.926 -14.368 3.874 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 2.256 -15.092 3.855 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 5.662 -13.778 7.116 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 5.847 -14.112 7.994 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 6.509 -13.469 6.794 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 8.007 -12.493 6.360 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 8.684 -13.125 6.120 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 8.329 -12.091 7.168 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 5.931 -12.433 2.410 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 5.474 -11.904 1.756 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 6.094 -11.830 3.135 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 8.258 -13.555 3.355 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 7.354 -13.390 3.089 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 8.687 -12.702 3.289 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 10.863 -11.985 3.650 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 10.681 -11.069 3.439 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 11.039 -12.395 2.803 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 -1.832 -13.298 1.115 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 -1.851 -13.723 1.972 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 -1.027 -13.616 0.706 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 0.309 -14.588 -0.230 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 0.090 -15.504 -0.061 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 1.133 -14.448 0.236 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 2.846 -14.118 0.618 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 3.059 -15.006 0.331 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 2.911 -14.152 1.573 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 -2.581 -14.074 -5.714 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 -3.266 -14.112 -6.382 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 -2.578 -13.161 -5.426 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 -0.763 -13.154 -8.689 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 -1.031 -12.867 -7.816 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 0.008 -13.700 -8.537 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 12.210 -14.550 7.513 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 11.428 -14.736 6.993 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 12.138 -13.621 7.730 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 7.760 -20.664 16.399 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 7.849 -19.720 16.267 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 7.121 -20.939 15.741 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 6.693 -21.409 19.818 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 6.655 -22.055 20.523 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 6.370 -21.875 19.047 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 10.399 -18.470 18.120 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 9.958 -19.190 18.570 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 10.386 -17.749 18.750 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 14.137 -25.897 23.321 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 13.448 -25.239 23.226 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 14.152 -26.094 24.258 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 7.557 -18.063 15.442 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 7.261 -18.385 14.591 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 7.233 -17.163 15.484 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 6.481 -21.420 13.851 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 5.769 -20.885 13.500 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 7.172 -21.364 13.191 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 13.850 -22.042 22.145 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 13.198 -21.347 22.234 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 14.315 -21.832 21.335 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 9.887 -21.210 14.803 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 9.155 -20.982 15.376 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 10.334 -21.924 15.258 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 9.784 -23.036 23.871 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 9.864 -22.273 24.443 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 9.183 -22.757 23.180 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 8.208 -16.308 21.053 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 7.967 -15.646 21.701 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 8.010 -17.142 21.478 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 8.758 -22.048 12.488 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 9.337 -21.898 13.235 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 9.172 -21.577 11.765 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 6.484 -15.311 15.923 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 6.958 -15.016 16.701 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 5.921 -14.573 15.690 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 1.018 -15.340 25.800 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 1.026 -15.476 24.852 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 0.102 -15.458 26.052 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 5.542 -16.127 24.532 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 5.629 -15.301 25.007 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 4.678 -16.457 24.781 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 -0.390 -13.566 16.119 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 -0.238 -13.914 16.998 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 -1.241 -13.922 15.864 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 -1.136 -17.824 24.133 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 -0.919 -18.185 24.993 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 -1.991 -18.198 23.923 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 9.472 -25.876 24.357 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 8.958 -26.002 25.154 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 9.317 -24.964 24.112 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 10.235 -21.015 10.118 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 10.277 -21.238 9.188 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 11.084 -20.617 10.308 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 6.209 -23.576 26.441 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 5.646 -24.280 26.761 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 7.035 -23.696 26.908 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 -0.557 -19.359 26.371 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 0.176 -19.105 26.932 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 -1.337 -19.155 26.886 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 4.643 -19.351 13.208 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 3.899 -19.858 12.885 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 4.509 -19.302 14.154 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 9.259 -24.670 13.068 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 10.151 -24.807 13.387 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 9.316 -23.879 12.531 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 6.769 -17.892 12.233 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 6.474 -17.066 12.615 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 6.066 -18.512 12.429 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 8.413 -16.705 24.395 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 7.512 -16.522 24.127 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 8.447 -16.446 25.316 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 9.600 -20.866 20.249 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 8.672 -21.098 20.222 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 10.051 -21.643 19.919 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 2.143 -16.538 16.382 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 2.670 -15.765 16.181 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 1.263 -16.313 16.080 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 -2.102 -21.676 10.969 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 -1.486 -21.049 11.348 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 -2.964 -21.360 11.240 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 4.085 -14.726 22.273 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 4.448 -13.871 22.040 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 4.617 -15.018 23.014 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 2.254 -13.853 15.503 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 1.304 -13.748 15.555 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 2.605 -13.033 15.848 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 7.629 -18.627 21.974 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 7.203 -18.854 22.800 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 8.210 -19.365 21.791 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 9.832 -17.698 11.048 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 10.185 -18.078 11.852 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 8.883 -17.791 11.134 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 -1.939 -15.037 22.285 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 -1.722 -15.969 22.254 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 -1.692 -14.763 23.169 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 3.923 -16.586 9.495 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 4.162 -17.334 8.947 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 3.654 -16.974 10.327 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 2.860 -17.016 11.951 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 3.007 -17.536 12.741 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 2.857 -16.109 12.257 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 2.936 -14.275 12.682 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 3.097 -13.475 12.181 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 2.739 -13.968 13.567 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 11.869 -26.828 24.692 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 10.953 -26.565 24.604 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 12.205 -26.831 23.795 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 10.471 -23.077 18.788 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 9.674 -23.492 18.459 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 10.916 -23.768 19.279 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 -0.071 -17.149 11.358 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 0.521 -16.450 11.634 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 0.388 -17.582 10.639 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 5.961 -14.723 9.633 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 5.317 -15.354 9.955 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 6.723 -15.254 9.401 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 1.520 -18.996 9.724 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 1.584 -19.790 10.255 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 2.173 -19.115 9.035 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 3.834 -19.370 27.025 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 3.506 -19.099 26.167 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 3.986 -20.311 26.937 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 6.872 -17.949 9.460 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 6.604 -17.769 10.361 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 6.666 -18.875 9.329 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 9.569 -19.454 24.408 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 10.314 -18.866 24.288 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 8.812 -18.872 24.471 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 2.669 -21.024 12.030 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 2.210 -21.508 12.716 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 2.924 -21.692 11.394 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 6.978 -20.660 27.664 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 7.931 -20.576 27.636 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 6.818 -21.371 28.283 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 13.130 -20.426 9.738 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 12.857 -20.851 8.925 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 13.170 -19.495 9.521 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 8.708 -24.152 28.229 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 8.900 -25.083 28.118 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 9.565 -23.727 28.219 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 10.024 -21.363 26.307 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 9.743 -20.654 25.729 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 10.967 -21.436 26.156 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 0.776 -24.578 27.380 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 0.009 -25.110 27.170 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 1.455 -24.888 26.781 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 4.780 -25.628 26.956 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 4.544 -25.848 27.858 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 3.997 -25.835 26.447 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 7.496 -26.501 26.032 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 6.548 -26.469 26.164 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 7.808 -27.126 26.686 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 9.130 -27.867 28.037 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 9.033 -28.819 28.031 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 8.808 -27.598 28.898 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 3.738 -30.656 26.064 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 4.450 -31.296 26.050 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 3.637 -30.389 25.150 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 4.091 -28.973 28.118 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 3.960 -29.449 27.297 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 3.492 -28.229 28.062 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 -2.794 -17.454 10.777 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 -1.880 -17.375 11.050 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 -2.787 -18.141 10.110 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 -4.145 -12.061 15.854 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 -4.792 -12.523 15.321 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 -3.790 -12.733 16.437 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 -3.275 -13.980 17.659 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 -3.609 -14.861 17.831 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 -3.053 -13.635 18.523 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 13.589 -19.557 13.713 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 14.439 -19.136 13.841 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 13.594 -20.297 14.321 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 13.983 -21.504 15.537 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 13.257 -21.983 15.935 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 14.564 -21.298 16.269 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 14.251 -21.603 11.928 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 13.730 -21.246 11.209 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 14.218 -20.928 12.606 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 11.770 -22.983 16.100 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 11.620 -23.928 16.080 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 11.416 -22.702 16.944 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 12.092 -24.819 19.998 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 13.025 -24.607 19.964 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 11.857 -24.717 20.921 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 12.121 -24.082 22.774 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 11.278 -23.814 23.140 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 12.564 -23.260 22.563 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 14.404 -30.102 28.128 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 14.754 -30.756 27.522 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 14.551 -29.265 27.688 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 13.924 -27.993 26.477 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 13.007 -27.722 26.441 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 14.047 -28.528 25.693 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 -1.603 -16.152 26.754 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 -2.424 -15.977 26.294 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 -1.855 -16.225 27.675 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 1.351 -15.177 23.013 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 0.926 -14.368 22.730 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 2.256 -15.092 22.711 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 5.662 -13.778 25.972 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 5.847 -14.112 26.850 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 6.509 -13.469 25.650 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 -1.832 -13.298 19.971 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 -1.851 -13.723 20.828 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 -1.027 -13.616 19.562 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 0.309 -14.588 18.626 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 0.090 -15.504 18.795 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 1.133 -14.448 19.092 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 2.846 -14.118 19.474 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 3.059 -15.006 19.187 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 2.911 -14.152 20.429 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 -2.581 -14.074 13.142 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 -3.266 -14.112 12.474 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 -2.578 -13.161 13.430 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 0.612 -29.955 27.494 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 1.511 -30.229 27.309 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 0.226 -30.698 27.958 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 -0.763 -13.154 10.167 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 -1.031 -12.867 11.040 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 0.008 -13.700 10.319 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 9.034 -30.623 27.676 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 9.110 -31.049 28.530 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 9.927 -30.609 27.334 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 -3.405 -23.684 34.195 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 -3.853 -22.838 34.177 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 -3.966 -24.264 33.680 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 -2.714 -18.252 32.611 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 -2.986 -18.023 31.722 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 -2.669 -17.414 33.071 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 6.535 -22.962 29.746 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 7.236 -22.940 30.397 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 6.837 -23.590 29.090 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 5.808 -27.139 29.644 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 5.554 -27.120 30.567 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 5.551 -28.011 29.343 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 2.690 -26.694 28.745 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 2.259 -27.139 29.475 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 1.972 -26.322 28.233 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 -2.793 -26.206 31.221 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 -2.319 -25.615 30.636 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 -3.511 -25.675 31.568 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 1.308 -23.916 30.128 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 0.766 -24.296 29.437 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 2.142 -23.722 29.699 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 -2.102 -21.676 29.825 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 -1.486 -21.049 30.204 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 -2.964 -21.360 30.096 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 3.923 -16.586 28.351 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 4.162 -17.334 27.803 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 3.654 -16.974 29.183 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 -0.687 -19.763 31.317 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 -1.373 -19.411 31.884 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 -0.164 -19.000 31.071 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 1.670 -27.577 31.154 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 1.587 -26.688 31.500 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 2.560 -27.842 31.385 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 -0.071 -17.149 30.214 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 0.521 -16.450 30.490 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 0.388 -17.582 29.495 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 -1.755 -24.485 29.330 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 -1.800 -23.546 29.509 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 -2.643 -24.721 29.060 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 1.520 -18.996 28.580 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 1.584 -19.790 29.111 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 2.173 -19.115 27.891 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 6.872 -17.949 28.316 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 6.604 -17.769 29.217 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 6.666 -18.875 28.185 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 3.740 -22.781 29.149 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 3.560 -22.935 28.221 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 4.691 -22.673 29.193 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 -2.794 -17.454 29.633 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 -1.880 -17.375 29.906 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 -2.787 -18.141 28.966 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 11.848 -26.955 28.452 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 12.458 -27.327 29.089 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 11.011 -27.377 28.648 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 -3.759 -28.065 33.122 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 -4.684 -27.856 32.992 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 -3.305 -27.581 32.432 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 -2.482 -30.022 31.100 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 -2.043 -29.411 30.509 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 -3.116 -29.484 31.574 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 -0.621 -28.106 29.543 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 -0.130 -28.736 29.015 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 0.002 -27.810 30.206 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 6.693 -2.553 -17.894 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 6.655 -3.199 -17.189 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 6.370 -3.019 -18.665 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 13.745 -8.519 -16.627 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 13.794 -7.909 -15.891 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 14.171 -8.058 -17.350 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 8.223 -5.726 -17.160 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 8.366 -6.673 -17.140 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 8.117 -5.519 -18.089 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 1.378 -7.625 -19.888 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 1.421 -6.765 -20.306 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 0.920 -8.177 -20.521 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 14.137 -7.041 -14.391 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 13.448 -6.383 -14.486 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 14.152 -7.238 -13.454 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 10.864 -8.203 -19.506 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 10.649 -8.969 -18.974 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 11.520 -7.731 -18.993 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 -0.218 -6.815 -17.861 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 0.395 -6.182 -17.488 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 0.294 -7.287 -18.518 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 4.214 -11.401 -18.361 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 4.097 -12.350 -18.415 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 3.359 -11.069 -18.088 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 13.850 -3.186 -15.567 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 13.198 -2.491 -15.478 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 14.315 -2.976 -16.377 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 9.784 -4.180 -13.841 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 9.864 -3.417 -13.269 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 9.183 -3.901 -14.532 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 11.715 -5.352 -11.576 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 11.308 -4.871 -12.296 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 11.756 -6.257 -11.883 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 1.574 -5.532 -16.488 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 0.932 -5.573 -15.779 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 1.611 -4.606 -16.726 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 8.111 -5.449 -19.945 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 7.916 -4.844 -20.660 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 8.293 -6.283 -20.380 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 -0.676 -5.212 -14.621 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 -0.714 -4.812 -13.753 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 -1.167 -6.029 -14.531 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 7.375 -3.811 -15.274 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 7.699 -4.442 -15.917 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 6.935 -4.346 -14.613 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 8.558 -8.649 -17.226 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 7.881 -8.518 -16.562 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 8.072 -8.804 -18.036 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 5.473 -5.096 -18.603 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 6.037 -5.643 -19.150 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 5.325 -5.618 -17.814 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 4.099 -6.708 -16.189 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 3.264 -6.254 -16.079 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 4.623 -6.432 -15.437 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 3.793 -3.222 -11.207 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 3.497 -3.388 -12.102 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 4.724 -3.442 -11.217 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 9.600 -2.010 -17.463 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 8.672 -2.242 -17.490 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 10.051 -2.787 -17.793 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 -1.590 -7.986 -13.862 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 -2.483 -7.647 -13.929 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 -1.689 -8.841 -13.444 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 10.471 -4.221 -18.924 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 9.674 -4.636 -19.253 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 10.916 -4.912 -18.433 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 -0.947 -10.847 -18.565 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 -1.176 -10.788 -19.492 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 -1.390 -11.639 -18.258 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 9.569 -0.598 -13.304 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 10.314 -0.010 -13.424 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 8.812 -0.016 -13.241 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 1.958 -4.275 -13.326 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 1.340 -3.600 -13.045 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 2.302 -3.954 -14.159 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 6.978 -1.804 -10.048 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 7.931 -1.720 -10.076 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 6.818 -2.515 -9.429 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 4.292 -3.111 -14.511 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 5.043 -3.267 -15.084 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 3.953 -2.259 -14.787 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 10.024 -2.507 -11.405 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 9.743 -1.798 -11.983 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 10.967 -2.580 -11.556 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 0.776 -5.722 -10.332 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 0.009 -6.254 -10.542 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 1.455 -6.032 -10.931 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 -1.043 -7.801 -10.627 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 -0.832 -8.508 -11.238 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 -1.155 -8.239 -9.783 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 12.626 -2.157 -11.973 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 13.209 -2.891 -11.782 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 13.190 -1.385 -11.927 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 14.123 -4.254 -11.289 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 13.260 -4.633 -11.454 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 14.727 -4.993 -11.363 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 12.092 -5.963 -17.714 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 13.025 -5.751 -17.748 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 11.857 -5.861 -16.791 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 12.121 -5.226 -14.938 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 11.278 -4.958 -14.572 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 12.564 -4.404 -15.149 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 -3.597 -6.778 -11.461 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 -2.678 -6.900 -11.225 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 -4.047 -7.528 -11.072 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 -2.376 -8.466 -18.570 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 -1.931 -9.258 -18.268 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 -1.910 -7.750 -18.139 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 -3.795 -10.471 -15.102 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 -4.460 -10.717 -14.459 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 -4.238 -9.849 -15.679 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 6.355 -9.598 -19.093 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 5.680 -10.227 -18.838 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 6.919 -10.082 -19.696 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 11.497 -11.491 -18.981 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 12.101 -10.943 -19.482 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 10.628 -11.171 -19.221 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 13.224 -10.352 -20.647 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 13.836 -10.866 -21.174 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 13.607 -9.474 -20.624 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 -1.319 -10.964 -21.271 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 -2.096 -11.198 -21.779 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 -0.788 -11.761 -21.263 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 3.261 -11.037 -21.458 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 4.135 -10.649 -21.488 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 3.125 -11.252 -20.535 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 8.818 -11.007 -19.809 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 8.894 -10.912 -20.758 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 8.542 -11.915 -19.680 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 9.100 -7.494 -2.631 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 9.746 -7.823 -2.006 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 9.610 -6.976 -3.254 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 10.864 -8.203 -0.650 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 10.649 -8.969 -0.118 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 11.520 -7.731 -0.137 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 4.214 -11.401 0.495 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 4.097 -12.350 0.441 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 3.359 -11.069 0.768 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 6.535 -4.106 -7.966 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 7.236 -4.084 -7.315 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 6.837 -4.734 -8.622 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 8.758 -3.192 -6.368 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 9.337 -3.042 -5.621 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 9.172 -2.721 -7.091 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 10.235 -2.159 -8.738 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 10.277 -2.382 -9.668 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 11.084 -1.761 -8.548 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 7.107 -4.895 -3.903 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 6.698 -4.080 -4.195 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 7.827 -5.035 -4.518 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 -2.793 -7.350 -6.491 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 -2.319 -6.759 -7.076 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 -3.511 -6.819 -6.144 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 4.153 -7.884 -1.634 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 3.242 -7.827 -1.345 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 4.658 -7.944 -0.823 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 2.634 -6.255 -5.151 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 3.566 -6.126 -4.973 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 2.419 -5.585 -5.800 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 1.308 -5.060 -7.584 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 0.766 -5.440 -8.275 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 2.142 -4.866 -8.013 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 0.475 -8.960 -3.329 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 0.158 -9.862 -3.364 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 1.256 -8.958 -3.881 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 9.259 -5.814 -5.788 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 10.151 -5.951 -5.469 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 9.316 -5.023 -6.325 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 14.144 -5.604 -6.094 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 13.590 -6.000 -6.766 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 14.245 -4.694 -6.371 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 7.929 -8.593 -5.019 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 8.149 -8.121 -5.822 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 8.487 -8.198 -4.348 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 5.129 -6.865 -4.184 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 5.941 -6.361 -4.138 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 4.884 -7.010 -3.270 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 6.013 -9.784 -3.246 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 5.666 -9.166 -2.601 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 6.671 -9.283 -3.727 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 1.670 -8.721 -6.558 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 1.587 -7.832 -6.212 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 2.560 -8.986 -6.327 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 -1.755 -5.629 -8.382 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 -1.800 -4.690 -8.203 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 -2.643 -5.865 -8.652 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 3.740 -3.925 -8.563 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 3.560 -4.079 -9.491 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 4.691 -3.817 -8.519 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 14.251 -2.747 -6.928 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 13.730 -2.390 -7.647 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 14.218 -2.072 -6.250 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 12.600 -5.507 -8.377 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 12.697 -4.840 -9.057 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 12.460 -6.323 -8.859 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 11.770 -4.127 -2.756 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 11.620 -5.072 -2.776 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 11.416 -3.846 -1.912 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 11.480 -6.544 -4.294 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 11.760 -7.451 -4.169 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 12.239 -6.110 -4.683 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 6.355 -9.598 -0.237 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 5.680 -10.227 0.018 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 6.919 -10.082 -0.840 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 11.497 -11.491 -0.125 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 12.101 -10.943 -0.626 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 10.628 -11.171 -0.365 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 13.224 -10.352 -1.791 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 13.836 -10.866 -2.318 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 13.607 -9.474 -1.768 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 -1.319 -10.964 -2.415 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 -2.096 -11.198 -2.923 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 -0.788 -11.761 -2.407 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 -2.482 -11.166 -6.612 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 -2.043 -10.555 -7.203 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 -3.116 -10.628 -6.138 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 3.261 -11.037 -2.602 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 4.135 -10.649 -2.632 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 3.125 -11.252 -1.679 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 8.818 -11.007 -0.953 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 8.894 -10.912 -1.902 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 8.542 -11.915 -0.824 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 -0.621 -9.250 -8.169 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 -0.130 -9.880 -8.697 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 0.002 -8.954 -7.506 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 -3.759 -9.209 14.266 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 -4.684 -9.000 14.136 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 -3.305 -8.725 13.576 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 -1.319 -10.964 16.441 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 -2.096 -11.198 15.933 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 -0.788 -11.761 16.449 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 19.874 -53.052 -11.912 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 19.882 -53.188 -12.860 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 18.958 -53.170 -11.660 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 16.917 -52.749 -15.427 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 17.134 -53.681 -15.458 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 17.164 -52.475 -14.543 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 20.725 -51.943 -9.454 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 21.493 -52.402 -9.113 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 20.704 -52.169 -10.384 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 16.035 -57.052 -10.120 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 16.179 -57.954 -10.406 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 15.262 -56.766 -10.608 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 17.253 -53.864 -10.958 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 16.432 -53.689 -11.418 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 17.001 -53.937 -10.037 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 17.609 -49.633 -14.652 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 16.889 -49.193 -15.103 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 17.243 -49.884 -13.803 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 20.076 -50.033 -15.622 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 19.211 -49.961 -15.218 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 20.021 -49.486 -16.406 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 25.549 -59.121 0.962 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 25.511 -59.767 1.667 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 25.226 -59.587 0.191 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 17.917 -59.506 2.555 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 17.959 -60.132 3.279 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 18.620 -58.883 2.737 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 15.451 -61.396 -3.517 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 15.003 -60.550 -3.535 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 14.890 -61.976 -4.032 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 16.161 -59.234 -1.391 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 16.375 -60.004 -0.864 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 16.899 -59.145 -1.994 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 26.366 -51.077 -0.524 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 26.986 -51.754 -0.797 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 26.158 -51.295 0.384 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 23.938 -56.688 1.368 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 24.242 -57.374 0.774 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 24.660 -56.570 1.986 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 16.854 -61.796 -0.270 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 17.508 -62.346 0.162 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 16.878 -62.070 -1.186 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 22.010 -60.246 -1.054 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 22.626 -60.772 -0.545 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 21.424 -60.886 -1.458 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 21.613 -57.599 3.330 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 20.873 -57.001 3.433 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 22.327 -57.045 3.014 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 20.388 -58.292 -2.170 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 20.058 -58.662 -2.989 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 20.976 -58.962 -1.824 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 20.755 -59.523 1.463 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 21.320 -59.402 0.700 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 21.074 -58.886 2.102 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 25.340 -53.023 -2.933 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 25.814 -52.728 -2.155 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 24.777 -52.285 -3.166 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 19.378 -59.222 -4.581 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 19.086 -58.454 -5.072 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 18.704 -59.882 -4.744 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 24.398 -53.839 5.676 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 24.485 -53.013 6.151 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 23.534 -54.169 5.925 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 24.812 -50.067 -4.518 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 24.737 -50.188 -5.464 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 24.845 -49.117 -4.399 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 20.430 -62.100 2.368 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 19.788 -62.141 3.077 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 20.467 -61.174 2.130 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 20.427 -61.879 -2.720 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 19.534 -62.220 -2.779 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 20.878 -62.256 -3.476 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 18.180 -61.780 4.235 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 18.142 -61.380 5.103 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 17.689 -62.597 4.325 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 17.837 -62.823 -2.807 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 16.948 -62.723 -3.147 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 18.133 -63.665 -3.153 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 23.499 -57.063 -5.648 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 22.755 -57.570 -5.971 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 23.365 -57.014 -4.702 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 25.019 -56.879 5.589 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 24.673 -57.260 6.395 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 24.819 -55.945 5.660 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 15.632 -59.307 5.436 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 15.855 -59.725 6.268 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 15.030 -59.920 5.014 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 22.649 -59.790 7.649 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 22.353 -59.956 6.754 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 23.580 -60.010 7.639 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 16.754 -59.388 -7.887 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 17.370 -58.761 -7.508 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 15.892 -59.072 -7.616 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 22.426 -56.587 -2.898 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 22.185 -55.662 -2.856 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 21.686 -57.046 -2.502 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 22.941 -52.438 3.417 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 23.304 -51.583 3.184 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 23.473 -52.730 4.158 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 22.779 -54.298 -9.361 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 23.018 -55.046 -9.909 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 22.510 -54.686 -8.529 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 21.716 -54.728 -6.905 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 21.863 -55.248 -6.115 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 21.713 -53.821 -6.599 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 18.169 -57.475 -6.395 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 17.483 -57.123 -5.828 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 18.692 -56.712 -6.641 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 24.454 -53.030 -6.156 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 23.637 -52.533 -6.103 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 24.983 -52.555 -6.796 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 18.785 -54.861 -7.498 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 19.377 -54.162 -7.222 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 19.244 -55.294 -8.217 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 16.128 -50.862 7.782 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 16.668 -51.079 8.541 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 15.647 -51.668 7.592 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 20.725 -51.943 9.402 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 21.493 -52.402 9.743 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 20.704 -52.169 8.472 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 24.817 -52.435 -9.223 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 24.173 -53.066 -8.901 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 25.579 -52.966 -9.455 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 22.690 -57.082 8.169 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 22.362 -56.811 7.311 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 22.842 -58.023 8.081 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 16.867 -59.852 8.156 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 17.275 -60.709 8.035 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 16.607 -59.837 9.077 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 21.525 -58.736 -6.826 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 21.066 -59.220 -6.140 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 21.780 -59.404 -7.462 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 20.814 -60.843 5.530 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 20.196 -60.168 5.811 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 21.158 -60.522 4.697 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 23.148 -59.679 4.345 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 23.899 -59.835 3.772 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 22.809 -58.827 4.069 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 19.632 -62.290 8.524 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 18.865 -62.822 8.314 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 20.311 -62.600 7.925 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 22.494 -49.802 -7.562 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 23.427 -49.644 -7.418 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 22.230 -49.127 -8.187 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 16.062 -55.166 -8.079 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 16.976 -55.087 -7.806 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 16.069 -55.853 -8.746 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 15.259 -63.346 7.395 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 16.178 -63.468 7.631 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 14.809 -64.096 7.784 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 14.784 -62.035 1.355 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 15.276 -62.256 0.565 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 15.146 -61.194 1.636 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 24.518 -51.490 7.116 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 24.703 -51.824 7.994 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 25.365 -51.181 6.794 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 24.787 -50.145 2.410 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 24.330 -49.616 1.756 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 24.950 -49.542 3.135 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 27.114 -51.267 3.355 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 26.210 -51.102 3.089 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 27.543 -50.414 3.289 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 25.139 -50.576 -7.317 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 26.005 -50.210 -7.495 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 24.892 -51.016 -8.130 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 18.093 -50.866 -8.689 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 17.825 -50.579 -7.816 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 18.864 -51.412 -8.537 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 16.142 -55.964 13.755 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 15.870 -55.735 12.866 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 16.187 -55.126 14.215 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 15.222 -54.079 19.974 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 16.168 -54.223 19.955 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 15.109 -53.295 20.511 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 18.466 -51.278 16.119 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 18.618 -51.626 16.998 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 17.615 -51.634 15.864 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 16.754 -59.388 10.969 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 17.370 -58.761 11.348 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 15.892 -59.072 11.240 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 16.917 -52.749 22.285 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 17.134 -53.681 22.254 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 17.164 -52.475 23.169 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 22.779 -54.298 9.495 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 23.018 -55.046 8.947 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 22.510 -54.686 10.327 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 21.716 -54.728 11.951 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 21.863 -55.248 12.741 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 21.713 -53.821 12.257 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 18.169 -57.475 12.461 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 17.483 -57.123 13.028 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 18.692 -56.712 12.215 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 18.785 -54.861 11.358 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 19.377 -54.162 11.634 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 19.244 -55.294 10.639 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 16.839 -53.475 15.308 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 16.007 -53.002 15.335 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 17.385 -52.965 14.709 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 20.376 -56.708 9.724 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 20.440 -57.502 10.255 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 21.029 -56.827 9.035 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 21.525 -58.736 12.030 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 21.066 -59.220 12.716 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 21.780 -59.404 11.394 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 16.062 -55.166 10.777 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 16.976 -55.087 11.050 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 16.069 -55.853 10.110 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 17.609 -49.633 23.060 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 16.889 -49.193 22.609 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 17.243 -49.884 23.909 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 17.024 -51.010 19.971 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 17.005 -51.435 20.828 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 17.829 -51.328 19.562 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 19.165 -52.300 18.626 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 18.946 -53.216 18.795 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.989 -52.160 19.092 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 16.275 -51.786 13.142 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 15.590 -51.824 12.474 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 16.278 -50.873 13.430 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 18.093 -50.866 10.167 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 17.825 -50.579 11.040 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 18.864 -51.412 10.319 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 19.044 -46.419 -15.814 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 18.825 -45.889 -16.580 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 18.376 -46.192 -15.166 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 18.638 -44.527 -17.861 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 19.251 -43.894 -17.488 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 19.150 -44.999 -18.518 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 18.555 -40.070 -13.447 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 18.625 -39.419 -12.749 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 17.664 -39.967 -13.782 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 15.471 -38.003 -14.622 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 14.970 -38.031 -15.437 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 15.477 -38.909 -14.312 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 17.720 -36.680 -13.579 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 17.937 -37.041 -12.719 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 16.865 -37.054 -13.789 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 18.180 -42.924 -14.621 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 18.142 -42.524 -13.753 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 17.689 -43.741 -14.531 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 18.299 -38.215 -11.341 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 19.032 -37.961 -10.780 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 17.519 -38.011 -10.826 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 15.632 -40.451 -13.420 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 15.855 -40.869 -12.588 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 15.030 -41.064 -13.842 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 16.128 -32.006 -11.074 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 16.668 -32.223 -10.315 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 15.647 -32.812 -11.264 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 16.035 -38.196 -10.120 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 16.179 -39.098 -10.406 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 15.262 -37.910 -10.608 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 16.867 -40.996 -10.700 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 17.275 -41.853 -10.821 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 16.607 -40.981 -9.779 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 20.814 -41.987 -13.326 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 20.196 -41.312 -13.045 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 21.158 -41.666 -14.159 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 21.154 -44.632 -12.243 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 21.304 -45.361 -12.846 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 21.156 -43.855 -12.802 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 21.566 -46.262 -14.751 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 22.102 -45.811 -15.403 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 20.714 -46.370 -15.173 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 19.632 -43.434 -10.332 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 18.865 -43.966 -10.542 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 20.311 -43.744 -10.931 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 22.594 -49.512 -11.648 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 23.306 -50.152 -11.662 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 22.493 -49.245 -12.562 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 22.947 -47.829 -9.594 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 22.816 -48.305 -10.415 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 22.348 -47.085 -9.650 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 16.480 -46.178 -18.570 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 16.925 -46.970 -18.268 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 16.946 -45.462 -18.139 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 14.784 -43.179 -17.501 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 15.276 -43.400 -18.291 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 15.146 -42.338 -17.220 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 15.061 -48.183 -15.102 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 14.396 -48.429 -14.459 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 14.618 -47.561 -15.679 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 17.253 -35.008 -10.958 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 16.432 -34.833 -11.418 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 17.001 -35.081 -10.037 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 19.468 -48.811 -10.218 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 20.367 -49.085 -10.403 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 19.082 -49.554 -9.754 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 26.366 -32.221 -0.524 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 26.986 -32.898 -0.797 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 26.158 -32.439 0.384 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 23.938 -37.832 1.368 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 24.242 -38.518 0.774 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 24.660 -37.714 1.986 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 22.010 -41.390 -1.054 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 22.626 -41.916 -0.545 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 21.424 -42.030 -1.458 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 21.613 -38.743 3.330 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 20.873 -38.145 3.433 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 22.327 -38.189 3.014 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 20.388 -39.436 -2.170 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 20.058 -39.806 -2.989 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 20.976 -40.106 -1.824 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 21.755 -36.008 0.511 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 21.660 -36.586 -0.246 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 22.484 -36.379 1.007 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 20.755 -40.667 1.463 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 21.320 -40.546 0.700 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 21.074 -40.030 2.102 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 27.064 -35.164 2.197 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 26.823 -34.502 2.845 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 26.866 -35.998 2.622 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 21.635 -36.268 6.180 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 21.323 -35.486 6.636 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 20.985 -36.421 5.494 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 25.340 -34.167 -2.933 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 25.814 -33.872 -2.155 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 24.777 -33.429 -3.166 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 24.398 -34.983 5.676 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 24.485 -34.157 6.151 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 23.534 -35.313 5.925 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 24.812 -31.211 -4.518 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 24.737 -31.332 -5.464 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 24.845 -30.261 -4.399 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 25.002 -48.488 4.647 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 25.422 -48.903 5.400 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 24.069 -48.666 4.764 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 24.664 -45.995 -8.068 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 24.410 -45.976 -7.145 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 24.407 -46.867 -8.369 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 20.430 -43.244 2.368 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 19.788 -43.285 3.077 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 20.467 -42.318 2.130 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 25.963 -42.607 -3.903 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 25.554 -41.792 -4.195 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 26.683 -42.747 -4.518 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 21.546 -45.550 -8.967 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 21.115 -45.995 -8.237 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 20.828 -45.178 -9.479 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 27.414 -46.361 1.630 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 26.737 -46.230 2.294 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 26.928 -46.516 0.820 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 20.164 -42.772 -7.584 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 19.622 -43.152 -8.275 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 20.998 -42.578 -8.013 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 24.329 -42.808 0.253 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 24.893 -43.355 -0.294 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 24.181 -43.330 1.042 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 22.955 -44.420 2.667 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 22.120 -43.966 2.777 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 23.479 -44.144 3.419 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 23.499 -38.207 -5.648 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 22.755 -38.714 -5.971 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 23.365 -38.158 -4.702 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 25.019 -38.023 5.589 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 24.673 -38.404 6.395 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 24.819 -37.089 5.660 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 18.624 -38.912 0.121 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 19.369 -38.914 -0.480 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 18.702 -39.736 0.603 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 22.649 -40.934 7.649 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 22.353 -41.100 6.754 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 23.580 -41.154 7.639 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 20.999 -35.394 -2.474 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 21.526 -34.621 -2.675 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 20.119 -35.169 -2.776 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 22.426 -37.731 -2.898 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 22.185 -36.806 -2.856 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 21.686 -38.190 -2.502 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.941 -33.582 3.417 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 23.304 -32.727 3.184 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.473 -33.874 4.158 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 21.716 -35.872 -6.905 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 21.863 -36.392 -6.115 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 21.713 -34.965 -6.599 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 18.169 -38.619 -6.395 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 17.483 -38.267 -5.828 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 18.692 -37.856 -6.641 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 26.001 -45.957 3.884 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 26.699 -45.883 4.534 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 25.620 -46.821 4.039 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 26.785 -46.305 -5.019 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 27.005 -45.833 -5.822 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 27.343 -45.910 -4.348 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 24.454 -34.174 -6.156 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 23.637 -33.677 -6.103 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 24.983 -33.699 -6.796 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 23.985 -44.577 -4.184 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 24.797 -44.073 -4.138 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 23.740 -44.722 -3.270 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 24.869 -47.496 -3.246 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 24.522 -46.878 -2.601 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 25.527 -46.995 -3.727 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 21.792 -33.131 -6.174 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 21.953 -32.331 -6.675 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 21.595 -32.824 -5.289 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 18.785 -36.005 -7.498 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 19.377 -35.306 -7.222 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 19.244 -36.438 -8.217 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 20.725 -33.087 9.402 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 21.493 -33.546 9.743 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 20.704 -33.313 8.472 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 20.376 -37.852 -9.132 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 20.440 -38.646 -8.601 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 21.029 -37.971 -9.821 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 22.690 -38.226 8.169 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 22.362 -37.955 7.311 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 22.842 -39.167 8.081 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 21.525 -39.880 -6.826 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.066 -40.364 -6.140 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 21.780 -40.548 -7.462 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 20.814 -41.987 5.530 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 20.196 -41.312 5.811 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 21.158 -41.666 4.697 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 22.596 -41.637 -8.563 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 22.416 -41.791 -9.491 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 23.547 -41.529 -8.519 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 21.154 -44.632 6.613 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 21.304 -45.361 6.010 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 21.156 -43.855 6.054 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 21.566 -46.262 4.105 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 22.102 -45.811 3.453 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 20.714 -46.370 3.683 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 23.148 -40.823 4.345 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 23.899 -40.979 3.772 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 22.809 -39.971 4.069 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 19.632 -43.434 8.524 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 18.865 -43.966 8.314 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 20.311 -43.744 7.925 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 22.594 -49.512 7.208 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 23.306 -50.152 7.194 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 22.493 -49.245 6.294 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 22.494 -30.946 -7.562 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 23.427 -30.788 -7.418 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 22.230 -30.271 -8.187 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 16.062 -36.310 -8.079 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 16.976 -36.231 -7.806 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 16.069 -36.997 -8.746 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 24.518 -32.634 7.116 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 24.703 -32.968 7.994 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 25.365 -32.325 6.794 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 24.787 -31.289 2.410 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 24.330 -30.760 1.756 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 24.950 -30.686 3.135 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 27.114 -32.411 3.355 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 26.210 -32.246 3.089 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 27.543 -31.558 3.289 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 25.211 -47.310 -0.237 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 24.536 -47.939 0.018 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 25.775 -47.794 -0.840 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 27.674 -48.719 -0.953 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 27.750 -48.624 -1.902 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 27.398 -49.627 -0.824 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 16.275 -32.930 -5.714 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 15.590 -32.968 -6.382 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 16.278 -32.017 -5.426 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 23.261 -46.669 -5.712 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 23.439 -47.315 -5.029 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 23.207 -45.835 -5.245 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 19.468 -48.811 8.638 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 20.367 -49.085 8.453 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 19.082 -49.554 9.102 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 18.093 -32.010 -8.689 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 17.825 -31.723 -7.816 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 18.864 -32.556 -8.537 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 17.917 -40.650 21.411 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 17.959 -41.276 22.135 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 18.620 -40.027 21.593 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 18.841 -36.200 19.946 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 18.471 -37.002 19.577 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 19.782 -36.369 19.993 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 20.234 -45.337 17.824 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 20.277 -44.477 17.406 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 19.776 -45.889 17.191 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 22.010 -41.390 17.802 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 22.626 -41.916 18.311 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 21.424 -42.030 17.398 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 19.044 -46.419 21.898 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 18.825 -45.889 21.132 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 18.376 -46.192 22.546 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 21.613 -38.743 22.186 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 20.873 -38.145 22.289 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 22.327 -38.189 21.870 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 18.638 -44.527 19.851 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 19.251 -43.894 20.224 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 19.150 -44.999 19.194 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 20.021 -36.779 22.973 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.015 -35.900 22.595 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 19.167 -36.862 23.398 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 25.337 -40.276 13.851 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 24.625 -39.741 13.500 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 26.028 -40.220 13.191 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 21.755 -36.008 19.367 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 21.660 -36.586 18.610 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 22.484 -36.379 19.863 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 20.755 -40.667 20.319 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 21.320 -40.546 19.556 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 21.074 -40.030 20.958 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 18.555 -40.070 24.265 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 18.625 -39.419 24.963 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 17.664 -39.967 23.930 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 25.340 -34.167 15.923 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 25.814 -33.872 16.701 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 24.777 -33.429 15.690 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 19.874 -34.196 25.800 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 19.882 -34.332 24.852 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 18.958 -34.314 26.052 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 15.471 -38.003 23.090 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 14.970 -38.031 22.275 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 15.477 -38.909 23.400 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 24.812 -31.211 14.338 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 24.737 -31.332 13.392 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 24.845 -30.261 14.457 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 17.720 -36.680 24.133 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 17.937 -37.041 24.993 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 16.865 -37.054 23.923 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 20.339 -48.210 20.129 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 19.478 -48.297 19.721 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 20.317 -47.354 20.556 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 20.430 -43.244 21.224 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 19.788 -43.285 21.933 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 20.467 -42.318 20.986 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 18.180 -42.924 23.091 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 18.142 -42.524 23.959 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 17.689 -43.741 23.181 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 21.546 -45.550 9.889 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 21.115 -45.995 10.619 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 20.828 -45.178 9.377 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 23.009 -45.596 17.222 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 22.098 -45.539 17.511 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 23.514 -45.656 18.033 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 21.490 -43.967 13.705 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 22.422 -43.838 13.883 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 21.275 -43.297 13.056 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 20.164 -42.772 11.272 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 19.622 -43.152 10.581 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 20.998 -42.578 10.843 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 18.299 -38.215 26.371 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 19.032 -37.961 26.932 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 17.519 -38.011 26.886 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 24.329 -42.808 19.109 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 24.893 -43.355 18.562 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 24.181 -43.330 19.898 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 19.331 -46.672 15.527 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.014 -47.574 15.492 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 20.112 -46.670 14.975 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 23.499 -38.207 13.208 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 22.755 -38.714 12.885 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 23.365 -38.158 14.154 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 25.625 -36.748 12.233 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 25.330 -35.922 12.615 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 24.922 -37.368 12.429 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 15.632 -40.451 24.292 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 15.855 -40.869 25.124 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 15.030 -41.064 23.870 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 20.999 -35.394 16.382 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 21.526 -34.621 16.181 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 20.119 -35.169 16.080 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.426 -37.731 15.958 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 22.185 -36.806 16.000 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 21.686 -38.190 16.354 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 17.266 -45.698 23.850 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 16.373 -45.359 23.783 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 17.167 -46.553 24.268 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 22.779 -35.442 9.495 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 23.018 -36.190 8.947 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 22.510 -35.830 10.327 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 21.716 -35.872 11.951 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 21.863 -36.392 12.741 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 21.713 -34.965 12.257 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 24.454 -34.174 12.700 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 23.637 -33.677 12.753 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 24.983 -33.699 12.060 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 23.985 -44.577 14.672 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 24.797 -44.073 14.718 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 23.740 -44.722 15.586 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 20.526 -46.433 12.298 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 20.443 -45.544 12.644 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 21.416 -46.698 12.529 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 17.909 -48.559 19.147 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 17.680 -48.500 18.220 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 17.466 -49.351 19.454 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 16.128 -32.006 26.638 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 16.668 -32.223 27.397 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 15.647 -32.812 26.448 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 24.817 -33.579 9.633 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 24.173 -34.210 9.955 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 25.579 -34.110 9.401 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 16.035 -38.196 27.592 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 16.179 -39.098 27.306 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 15.262 -37.910 27.104 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 16.867 -40.996 27.012 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 17.275 -41.853 26.891 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 16.607 -40.981 27.933 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 21.525 -39.880 12.030 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 21.066 -40.364 12.716 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 21.780 -40.548 11.394 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 22.596 -41.637 10.293 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 22.416 -41.791 9.365 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 23.547 -41.529 10.337 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 22.494 -30.946 11.294 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 23.427 -30.788 11.438 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 22.230 -30.271 10.669 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 15.061 -48.183 22.610 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 14.396 -48.429 23.253 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 14.618 -47.561 22.033 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 17.253 -35.008 26.754 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 16.432 -34.833 26.294 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 17.001 -35.081 27.675 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.207 -34.033 23.013 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 19.782 -33.224 22.730 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 21.112 -33.948 22.711 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 20.076 -31.177 22.090 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 19.211 -31.105 22.494 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 20.021 -30.630 21.306 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 17.024 -32.154 19.971 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 17.005 -32.579 20.828 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 17.829 -32.472 19.562 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 19.165 -33.444 18.626 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 18.946 -34.360 18.795 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 19.989 -33.304 19.092 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.702 -32.974 19.474 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 21.915 -33.862 19.187 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 21.767 -33.008 20.429 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 16.374 -48.878 12.244 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 16.813 -48.267 11.653 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 15.740 -48.340 12.718 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 18.235 -46.962 10.687 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 18.726 -47.592 10.159 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 18.858 -46.666 11.350 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 25.139 -31.720 11.539 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 26.005 -31.354 11.361 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 24.892 -32.160 10.726 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 18.093 -32.010 29.023 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 17.825 -31.723 29.896 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 18.864 -32.556 29.175 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 17.917 -21.794 -16.301 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 17.959 -22.420 -15.577 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 18.620 -21.171 -16.119 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 16.161 -21.522 -20.247 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 16.375 -22.292 -19.720 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 16.899 -21.433 -20.850 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 26.366 -13.365 -19.380 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 26.986 -14.042 -19.653 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 26.158 -13.583 -18.472 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 21.613 -19.887 -15.526 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 20.873 -19.289 -15.423 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 22.327 -19.333 -15.842 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 20.021 -17.923 -14.739 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 20.015 -17.044 -15.117 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 19.167 -18.006 -14.314 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 16.142 -18.252 -23.957 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 15.870 -18.023 -24.846 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 16.187 -17.414 -23.497 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 21.755 -17.152 -18.345 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 21.660 -17.730 -19.102 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 22.484 -17.523 -17.849 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 21.635 -17.412 -12.676 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 21.323 -16.630 -12.220 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 20.985 -17.565 -13.362 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 18.555 -21.214 -13.447 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 18.625 -20.563 -12.749 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 17.664 -21.111 -13.782 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 24.398 -16.127 -13.180 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 24.485 -15.301 -12.705 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 23.534 -16.457 -12.931 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 18.466 -13.566 -21.593 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 18.618 -13.914 -20.714 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 17.615 -13.922 -21.848 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 30.701 -11.833 -10.949 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 30.901 -11.409 -11.784 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 31.357 -11.490 -10.342 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 18.299 -19.359 -11.341 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 19.032 -19.105 -10.780 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 17.519 -19.155 -10.826 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 18.624 -20.056 -18.735 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.369 -20.058 -19.336 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 18.702 -20.880 -18.253 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 15.632 -21.595 -13.420 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 15.855 -22.013 -12.588 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 15.030 -22.208 -13.842 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.999 -16.538 -21.330 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 21.526 -15.765 -21.531 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 20.119 -16.313 -21.632 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 22.941 -14.726 -15.439 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 23.304 -13.871 -15.672 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 23.473 -15.018 -14.698 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 21.110 -13.853 -22.209 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.160 -13.748 -22.157 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.461 -13.033 -21.864 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 29.144 -14.075 -13.269 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 28.542 -14.630 -13.764 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 29.425 -13.408 -13.895 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 30.414 -13.821 -17.302 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 30.258 -13.143 -17.959 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 31.346 -13.749 -17.099 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 16.839 -15.763 -22.404 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 16.007 -15.290 -22.377 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 17.385 -15.253 -23.003 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 20.725 -14.231 -9.454 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 21.493 -14.690 -9.113 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 20.704 -14.457 -10.384 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 16.035 -19.340 -10.120 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 16.179 -20.242 -10.406 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 15.262 -19.054 -10.608 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 16.867 -22.140 -10.700 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 17.275 -22.997 -10.821 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 16.607 -22.125 -9.779 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 14.711 -12.061 -21.858 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 14.064 -12.523 -22.391 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 15.066 -12.733 -21.275 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 15.661 -20.905 -17.602 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 15.845 -20.987 -18.537 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 16.510 -21.029 -17.178 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 15.259 -25.634 -11.461 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 16.178 -25.756 -11.225 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 14.809 -26.384 -11.072 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 24.518 -13.778 -11.740 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 24.703 -14.112 -10.862 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 25.365 -13.469 -12.062 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 26.863 -12.493 -12.496 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 27.540 -13.125 -12.736 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 27.185 -12.091 -11.688 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 24.787 -12.433 -16.446 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 24.330 -11.904 -17.100 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 24.950 -11.830 -15.721 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 27.114 -13.555 -15.501 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 26.210 -13.390 -15.767 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 27.543 -12.702 -15.567 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 29.719 -11.985 -15.206 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 29.537 -11.069 -15.417 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 29.895 -12.395 -16.053 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 21.702 -14.118 -18.238 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 21.915 -15.006 -18.525 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 21.767 -14.152 -17.283 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 16.275 -14.074 -24.570 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 15.590 -14.112 -25.238 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 16.278 -13.161 -24.282 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 17.917 -21.794 2.555 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 17.959 -22.420 3.279 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 18.620 -21.171 2.737 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 18.841 -17.344 1.090 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 18.471 -18.146 0.721 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 19.782 -17.513 1.137 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 15.451 -23.684 -3.517 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 15.003 -22.838 -3.535 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 14.890 -24.264 -4.032 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 16.161 -21.522 -1.391 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 16.375 -22.292 -0.864 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 16.899 -21.433 -1.994 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 20.234 -26.481 -1.032 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 20.277 -25.621 -1.450 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 19.776 -27.033 -1.665 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 21.613 -19.887 3.330 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 20.873 -19.289 3.433 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 22.327 -19.333 3.014 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 18.638 -25.671 0.995 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 19.251 -25.038 1.368 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 19.150 -26.143 0.338 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 20.021 -17.923 4.117 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 20.015 -17.044 3.739 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 19.167 -18.006 4.542 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 16.142 -18.252 -5.101 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 15.870 -18.023 -5.990 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 16.187 -17.414 -4.641 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 20.755 -21.811 1.463 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 21.320 -21.690 0.700 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 21.074 -21.174 2.102 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 21.635 -17.412 6.180 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 21.323 -16.630 6.636 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 20.985 -17.565 5.494 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 15.222 -16.367 1.118 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 16.168 -16.511 1.099 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 15.109 -15.583 1.655 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 18.466 -13.566 -2.737 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 18.618 -13.914 -1.858 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 17.615 -13.922 -2.992 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 17.720 -17.824 5.277 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 17.937 -18.185 6.137 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 16.865 -18.198 5.067 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 25.002 -29.632 4.647 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 25.422 -30.047 5.400 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 24.069 -29.810 4.764 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 20.430 -24.388 2.368 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 19.788 -24.429 3.077 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 20.467 -23.462 2.130 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 20.427 -24.167 -2.720 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 19.534 -24.508 -2.779 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 20.878 -24.544 -3.476 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 25.065 -23.576 7.585 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 24.502 -24.280 7.905 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 25.891 -23.696 8.052 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 16.063 -26.206 -6.491 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 16.537 -25.615 -7.076 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 15.345 -25.675 -6.144 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 26.231 -22.667 3.582 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 26.555 -23.298 2.939 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 25.791 -23.202 4.243 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 23.009 -26.740 -1.634 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 22.098 -26.683 -1.345 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 23.514 -26.800 -0.823 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 17.837 -25.111 -2.807 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 16.948 -25.011 -3.147 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 18.133 -25.953 -3.153 0.00 0.00 WAT1 ATOM 6215 OH2 TIP3 1270 21.490 -25.111 -5.151 0.00 0.00 WAT1 ATOM 6216 H1 TIP3 1270 22.422 -24.982 -4.973 0.00 0.00 WAT1 ATOM 6217 H2 TIP3 1270 21.275 -24.441 -5.800 0.00 0.00 WAT1 ATOM 6218 OH2 TIP3 1271 27.414 -27.505 1.630 0.00 0.00 WAT1 ATOM 6219 H1 TIP3 1271 26.737 -27.374 2.294 0.00 0.00 WAT1 ATOM 6220 H2 TIP3 1271 26.928 -27.660 0.820 0.00 0.00 WAT1 ATOM 6221 OH2 TIP3 1272 18.299 -19.359 7.515 0.00 0.00 WAT1 ATOM 6222 H1 TIP3 1272 19.032 -19.105 8.076 0.00 0.00 WAT1 ATOM 6223 H2 TIP3 1272 17.519 -19.155 8.030 0.00 0.00 WAT1 ATOM 6224 OH2 TIP3 1273 19.331 -27.816 -3.329 0.00 0.00 WAT1 ATOM 6225 H1 TIP3 1273 19.014 -28.718 -3.364 0.00 0.00 WAT1 ATOM 6226 H2 TIP3 1273 20.112 -27.814 -3.881 0.00 0.00 WAT1 ATOM 6227 OH2 TIP3 1274 22.955 -25.564 2.667 0.00 0.00 WAT1 ATOM 6228 H1 TIP3 1274 22.120 -25.110 2.777 0.00 0.00 WAT1 ATOM 6229 H2 TIP3 1274 23.479 -25.288 3.419 0.00 0.00 WAT1 ATOM 6230 OH2 TIP3 1275 18.624 -20.056 0.121 0.00 0.00 WAT1 ATOM 6231 H1 TIP3 1275 19.369 -20.058 -0.480 0.00 0.00 WAT1 ATOM 6232 H2 TIP3 1275 18.702 -20.880 0.603 0.00 0.00 WAT1 ATOM 6233 OH2 TIP3 1276 22.649 -22.078 7.649 0.00 0.00 WAT1 ATOM 6234 H1 TIP3 1276 22.353 -22.244 6.754 0.00 0.00 WAT1 ATOM 6235 H2 TIP3 1276 23.580 -22.298 7.639 0.00 0.00 WAT1 ATOM 6236 OH2 TIP3 1277 16.754 -21.676 -7.887 0.00 0.00 WAT1 ATOM 6237 H1 TIP3 1277 17.370 -21.049 -7.508 0.00 0.00 WAT1 ATOM 6238 H2 TIP3 1277 15.892 -21.360 -7.616 0.00 0.00 WAT1 ATOM 6239 OH2 TIP3 1278 16.917 -15.037 3.429 0.00 0.00 WAT1 ATOM 6240 H1 TIP3 1278 17.134 -15.969 3.398 0.00 0.00 WAT1 ATOM 6241 H2 TIP3 1278 17.164 -14.763 4.313 0.00 0.00 WAT1 ATOM 6242 OH2 TIP3 1279 22.779 -16.586 -9.361 0.00 0.00 WAT1 ATOM 6243 H1 TIP3 1279 23.018 -17.334 -9.909 0.00 0.00 WAT1 ATOM 6244 H2 TIP3 1279 22.510 -16.974 -8.529 0.00 0.00 WAT1 ATOM 6245 OH2 TIP3 1280 26.001 -27.101 3.884 0.00 0.00 WAT1 ATOM 6246 H1 TIP3 1280 26.699 -27.027 4.534 0.00 0.00 WAT1 ATOM 6247 H2 TIP3 1280 25.620 -27.965 4.039 0.00 0.00 WAT1 ATOM 6248 OH2 TIP3 1281 23.985 -25.721 -4.184 0.00 0.00 WAT1 ATOM 6249 H1 TIP3 1281 24.797 -25.217 -4.138 0.00 0.00 WAT1 ATOM 6250 H2 TIP3 1281 23.740 -25.866 -3.270 0.00 0.00 WAT1 ATOM 6251 OH2 TIP3 1282 24.521 -24.735 5.001 0.00 0.00 WAT1 ATOM 6252 H1 TIP3 1282 24.640 -24.161 5.758 0.00 0.00 WAT1 ATOM 6253 H2 TIP3 1282 25.176 -25.423 5.116 0.00 0.00 WAT1 ATOM 6254 OH2 TIP3 1283 24.869 -28.640 -3.246 0.00 0.00 WAT1 ATOM 6255 H1 TIP3 1283 24.522 -28.022 -2.601 0.00 0.00 WAT1 ATOM 6256 H2 TIP3 1283 25.527 -28.139 -3.727 0.00 0.00 WAT1 ATOM 6257 OH2 TIP3 1284 21.792 -14.275 -6.174 0.00 0.00 WAT1 ATOM 6258 H1 TIP3 1284 21.953 -13.475 -6.675 0.00 0.00 WAT1 ATOM 6259 H2 TIP3 1284 21.595 -13.968 -5.289 0.00 0.00 WAT1 ATOM 6260 OH2 TIP3 1285 20.526 -27.577 -6.558 0.00 0.00 WAT1 ATOM 6261 H1 TIP3 1285 20.443 -26.688 -6.212 0.00 0.00 WAT1 ATOM 6262 H2 TIP3 1285 21.416 -27.842 -6.327 0.00 0.00 WAT1 ATOM 6263 OH2 TIP3 1286 18.785 -17.149 -7.498 0.00 0.00 WAT1 ATOM 6264 H1 TIP3 1286 19.377 -16.450 -7.222 0.00 0.00 WAT1 ATOM 6265 H2 TIP3 1286 19.244 -17.582 -8.217 0.00 0.00 WAT1 ATOM 6266 OH2 TIP3 1287 17.101 -24.485 -8.382 0.00 0.00 WAT1 ATOM 6267 H1 TIP3 1287 17.056 -23.546 -8.203 0.00 0.00 WAT1 ATOM 6268 H2 TIP3 1287 16.213 -24.721 -8.652 0.00 0.00 WAT1 ATOM 6269 OH2 TIP3 1288 16.839 -15.763 -3.548 0.00 0.00 WAT1 ATOM 6270 H1 TIP3 1288 16.007 -15.290 -3.521 0.00 0.00 WAT1 ATOM 6271 H2 TIP3 1288 17.385 -15.253 -4.147 0.00 0.00 WAT1 ATOM 6272 OH2 TIP3 1289 24.817 -14.723 -9.223 0.00 0.00 WAT1 ATOM 6273 H1 TIP3 1289 24.173 -15.354 -8.901 0.00 0.00 WAT1 ATOM 6274 H2 TIP3 1289 25.579 -15.254 -9.455 0.00 0.00 WAT1 ATOM 6275 OH2 TIP3 1290 16.035 -19.340 8.736 0.00 0.00 WAT1 ATOM 6276 H1 TIP3 1290 16.179 -20.242 8.450 0.00 0.00 WAT1 ATOM 6277 H2 TIP3 1290 15.262 -19.054 8.248 0.00 0.00 WAT1 ATOM 6278 OH2 TIP3 1291 20.376 -18.996 -9.132 0.00 0.00 WAT1 ATOM 6279 H1 TIP3 1291 20.440 -19.790 -8.601 0.00 0.00 WAT1 ATOM 6280 H2 TIP3 1291 21.029 -19.115 -9.821 0.00 0.00 WAT1 ATOM 6281 OH2 TIP3 1292 22.690 -19.370 8.169 0.00 0.00 WAT1 ATOM 6282 H1 TIP3 1292 22.362 -19.099 7.311 0.00 0.00 WAT1 ATOM 6283 H2 TIP3 1292 22.842 -20.311 8.081 0.00 0.00 WAT1 ATOM 6284 OH2 TIP3 1293 23.148 -21.967 4.345 0.00 0.00 WAT1 ATOM 6285 H1 TIP3 1293 23.899 -22.123 3.772 0.00 0.00 WAT1 ATOM 6286 H2 TIP3 1293 22.809 -21.115 4.069 0.00 0.00 WAT1 ATOM 6287 OH2 TIP3 1294 26.352 -26.501 7.176 0.00 0.00 WAT1 ATOM 6288 H1 TIP3 1294 25.404 -26.469 7.308 0.00 0.00 WAT1 ATOM 6289 H2 TIP3 1294 26.664 -27.126 7.830 0.00 0.00 WAT1 ATOM 6290 OH2 TIP3 1295 22.947 -28.973 9.262 0.00 0.00 WAT1 ATOM 6291 H1 TIP3 1295 22.816 -29.449 8.441 0.00 0.00 WAT1 ATOM 6292 H2 TIP3 1295 22.348 -28.229 9.206 0.00 0.00 WAT1 ATOM 6293 OH2 TIP3 1296 22.494 -12.090 -7.562 0.00 0.00 WAT1 ATOM 6294 H1 TIP3 1296 23.427 -11.932 -7.418 0.00 0.00 WAT1 ATOM 6295 H2 TIP3 1296 22.230 -11.415 -8.187 0.00 0.00 WAT1 ATOM 6296 OH2 TIP3 1297 16.062 -17.454 -8.079 0.00 0.00 WAT1 ATOM 6297 H1 TIP3 1297 16.976 -17.375 -7.806 0.00 0.00 WAT1 ATOM 6298 H2 TIP3 1297 16.069 -18.141 -8.746 0.00 0.00 WAT1 ATOM 6299 OH2 TIP3 1298 14.711 -12.061 -3.002 0.00 0.00 WAT1 ATOM 6300 H1 TIP3 1298 14.064 -12.523 -3.535 0.00 0.00 WAT1 ATOM 6301 H2 TIP3 1298 15.066 -12.733 -2.419 0.00 0.00 WAT1 ATOM 6302 OH2 TIP3 1299 15.581 -13.980 -1.197 0.00 0.00 WAT1 ATOM 6303 H1 TIP3 1299 15.247 -14.861 -1.025 0.00 0.00 WAT1 ATOM 6304 H2 TIP3 1299 15.803 -13.635 -0.333 0.00 0.00 WAT1 ATOM 6305 OH2 TIP3 1300 17.253 -16.152 7.898 0.00 0.00 WAT1 ATOM 6306 H1 TIP3 1300 16.432 -15.977 7.438 0.00 0.00 WAT1 ATOM 6307 H2 TIP3 1300 17.001 -16.225 8.819 0.00 0.00 WAT1 ATOM 6308 OH2 TIP3 1301 17.024 -13.298 1.115 0.00 0.00 WAT1 ATOM 6309 H1 TIP3 1301 17.005 -13.723 1.972 0.00 0.00 WAT1 ATOM 6310 H2 TIP3 1301 17.829 -13.616 0.706 0.00 0.00 WAT1 ATOM 6311 OH2 TIP3 1302 25.211 -28.454 -0.237 0.00 0.00 WAT1 ATOM 6312 H1 TIP3 1302 24.536 -29.083 0.018 0.00 0.00 WAT1 ATOM 6313 H2 TIP3 1302 25.775 -28.938 -0.840 0.00 0.00 WAT1 ATOM 6314 OH2 TIP3 1303 16.374 -30.022 -6.612 0.00 0.00 WAT1 ATOM 6315 H1 TIP3 1303 16.813 -29.411 -7.203 0.00 0.00 WAT1 ATOM 6316 H2 TIP3 1303 15.740 -29.484 -6.138 0.00 0.00 WAT1 ATOM 6317 OH2 TIP3 1304 27.674 -29.863 -0.953 0.00 0.00 WAT1 ATOM 6318 H1 TIP3 1304 27.750 -29.768 -1.902 0.00 0.00 WAT1 ATOM 6319 H2 TIP3 1304 27.398 -30.771 -0.824 0.00 0.00 WAT1 ATOM 6320 OH2 TIP3 1305 16.275 -14.074 -5.714 0.00 0.00 WAT1 ATOM 6321 H1 TIP3 1305 15.590 -14.112 -6.382 0.00 0.00 WAT1 ATOM 6322 H2 TIP3 1305 16.278 -13.161 -5.426 0.00 0.00 WAT1 ATOM 6323 OH2 TIP3 1306 18.235 -28.106 -8.169 0.00 0.00 WAT1 ATOM 6324 H1 TIP3 1306 18.726 -28.736 -8.697 0.00 0.00 WAT1 ATOM 6325 H2 TIP3 1306 18.858 -27.810 -7.506 0.00 0.00 WAT1 ATOM 6326 OH2 TIP3 1307 23.261 -27.813 -5.712 0.00 0.00 WAT1 ATOM 6327 H1 TIP3 1307 23.439 -28.459 -5.029 0.00 0.00 WAT1 ATOM 6328 H2 TIP3 1307 23.207 -26.979 -5.245 0.00 0.00 WAT1 ATOM 6329 OH2 TIP3 1308 25.139 -12.864 -7.317 0.00 0.00 WAT1 ATOM 6330 H1 TIP3 1308 26.005 -12.498 -7.495 0.00 0.00 WAT1 ATOM 6331 H2 TIP3 1308 24.892 -13.304 -8.130 0.00 0.00 WAT1 ATOM 6332 OH2 TIP3 1309 17.917 -21.794 21.411 0.00 0.00 WAT1 ATOM 6333 H1 TIP3 1309 17.959 -22.420 22.135 0.00 0.00 WAT1 ATOM 6334 H2 TIP3 1309 18.620 -21.171 21.593 0.00 0.00 WAT1 ATOM 6335 OH2 TIP3 1310 16.161 -21.522 17.465 0.00 0.00 WAT1 ATOM 6336 H1 TIP3 1310 16.375 -22.292 17.992 0.00 0.00 WAT1 ATOM 6337 H2 TIP3 1310 16.899 -21.433 16.862 0.00 0.00 WAT1 ATOM 6338 OH2 TIP3 1311 22.010 -22.534 17.802 0.00 0.00 WAT1 ATOM 6339 H1 TIP3 1311 22.626 -23.060 18.311 0.00 0.00 WAT1 ATOM 6340 H2 TIP3 1311 21.424 -23.174 17.398 0.00 0.00 WAT1 ATOM 6341 OH2 TIP3 1312 19.044 -27.563 21.898 0.00 0.00 WAT1 ATOM 6342 H1 TIP3 1312 18.825 -27.033 21.132 0.00 0.00 WAT1 ATOM 6343 H2 TIP3 1312 18.376 -27.336 22.546 0.00 0.00 WAT1 ATOM 6344 OH2 TIP3 1313 16.142 -18.252 13.755 0.00 0.00 WAT1 ATOM 6345 H1 TIP3 1313 15.870 -18.023 12.866 0.00 0.00 WAT1 ATOM 6346 H2 TIP3 1313 16.187 -17.414 14.215 0.00 0.00 WAT1 ATOM 6347 OH2 TIP3 1314 23.070 -30.257 19.351 0.00 0.00 WAT1 ATOM 6348 H1 TIP3 1314 22.953 -31.206 19.297 0.00 0.00 WAT1 ATOM 6349 H2 TIP3 1314 22.215 -29.925 19.624 0.00 0.00 WAT1 ATOM 6350 OH2 TIP3 1315 25.391 -22.962 10.890 0.00 0.00 WAT1 ATOM 6351 H1 TIP3 1315 26.092 -22.940 11.541 0.00 0.00 WAT1 ATOM 6352 H2 TIP3 1315 25.693 -23.590 10.234 0.00 0.00 WAT1 ATOM 6353 OH2 TIP3 1316 20.388 -20.580 16.686 0.00 0.00 WAT1 ATOM 6354 H1 TIP3 1316 20.058 -20.950 15.867 0.00 0.00 WAT1 ATOM 6355 H2 TIP3 1316 20.976 -21.250 17.032 0.00 0.00 WAT1 ATOM 6356 OH2 TIP3 1317 20.755 -21.811 20.319 0.00 0.00 WAT1 ATOM 6357 H1 TIP3 1317 21.320 -21.690 19.556 0.00 0.00 WAT1 ATOM 6358 H2 TIP3 1317 21.074 -21.174 20.958 0.00 0.00 WAT1 ATOM 6359 OH2 TIP3 1318 19.378 -21.510 14.275 0.00 0.00 WAT1 ATOM 6360 H1 TIP3 1318 19.086 -20.742 13.784 0.00 0.00 WAT1 ATOM 6361 H2 TIP3 1318 18.704 -22.170 14.112 0.00 0.00 WAT1 ATOM 6362 OH2 TIP3 1319 20.339 -29.354 20.129 0.00 0.00 WAT1 ATOM 6363 H1 TIP3 1319 19.478 -29.441 19.721 0.00 0.00 WAT1 ATOM 6364 H2 TIP3 1319 20.317 -28.498 20.556 0.00 0.00 WAT1 ATOM 6365 OH2 TIP3 1320 24.664 -27.139 10.788 0.00 0.00 WAT1 ATOM 6366 H1 TIP3 1320 24.410 -27.120 11.711 0.00 0.00 WAT1 ATOM 6367 H2 TIP3 1320 24.407 -28.011 10.487 0.00 0.00 WAT1 ATOM 6368 OH2 TIP3 1321 20.430 -24.388 21.224 0.00 0.00 WAT1 ATOM 6369 H1 TIP3 1321 19.788 -24.429 21.933 0.00 0.00 WAT1 ATOM 6370 H2 TIP3 1321 20.467 -23.462 20.986 0.00 0.00 WAT1 ATOM 6371 OH2 TIP3 1322 18.180 -24.068 23.091 0.00 0.00 WAT1 ATOM 6372 H1 TIP3 1322 18.142 -23.668 23.959 0.00 0.00 WAT1 ATOM 6373 H2 TIP3 1322 17.689 -24.885 23.181 0.00 0.00 WAT1 ATOM 6374 OH2 TIP3 1323 23.009 -26.740 17.222 0.00 0.00 WAT1 ATOM 6375 H1 TIP3 1323 22.098 -26.683 17.511 0.00 0.00 WAT1 ATOM 6376 H2 TIP3 1323 23.514 -26.800 18.033 0.00 0.00 WAT1 ATOM 6377 OH2 TIP3 1324 21.490 -25.111 13.705 0.00 0.00 WAT1 ATOM 6378 H1 TIP3 1324 22.422 -24.982 13.883 0.00 0.00 WAT1 ATOM 6379 H2 TIP3 1324 21.275 -24.441 13.056 0.00 0.00 WAT1 ATOM 6380 OH2 TIP3 1325 20.164 -23.916 11.272 0.00 0.00 WAT1 ATOM 6381 H1 TIP3 1325 19.622 -24.296 10.581 0.00 0.00 WAT1 ATOM 6382 H2 TIP3 1325 20.998 -23.722 10.843 0.00 0.00 WAT1 ATOM 6383 OH2 TIP3 1326 24.329 -23.952 19.109 0.00 0.00 WAT1 ATOM 6384 H1 TIP3 1326 24.893 -24.499 18.562 0.00 0.00 WAT1 ATOM 6385 H2 TIP3 1326 24.181 -24.474 19.898 0.00 0.00 WAT1 ATOM 6386 OH2 TIP3 1327 22.955 -25.564 21.523 0.00 0.00 WAT1 ATOM 6387 H1 TIP3 1327 22.120 -25.110 21.633 0.00 0.00 WAT1 ATOM 6388 H2 TIP3 1327 23.479 -25.288 22.275 0.00 0.00 WAT1 ATOM 6389 OH2 TIP3 1328 18.624 -20.056 18.977 0.00 0.00 WAT1 ATOM 6390 H1 TIP3 1328 19.369 -20.058 18.376 0.00 0.00 WAT1 ATOM 6391 H2 TIP3 1328 18.702 -20.880 19.459 0.00 0.00 WAT1 ATOM 6392 OH2 TIP3 1329 16.754 -21.676 10.969 0.00 0.00 WAT1 ATOM 6393 H1 TIP3 1329 17.370 -21.049 11.348 0.00 0.00 WAT1 ATOM 6394 H2 TIP3 1329 15.892 -21.360 11.240 0.00 0.00 WAT1 ATOM 6395 OH2 TIP3 1330 17.266 -26.842 23.850 0.00 0.00 WAT1 ATOM 6396 H1 TIP3 1330 16.373 -26.503 23.783 0.00 0.00 WAT1 ATOM 6397 H2 TIP3 1330 17.167 -27.697 24.268 0.00 0.00 WAT1 ATOM 6398 OH2 TIP3 1331 18.169 -19.763 12.461 0.00 0.00 WAT1 ATOM 6399 H1 TIP3 1331 17.483 -19.411 13.028 0.00 0.00 WAT1 ATOM 6400 H2 TIP3 1331 18.692 -19.000 12.215 0.00 0.00 WAT1 ATOM 6401 OH2 TIP3 1332 23.985 -25.721 14.672 0.00 0.00 WAT1 ATOM 6402 H1 TIP3 1332 24.797 -25.217 14.718 0.00 0.00 WAT1 ATOM 6403 H2 TIP3 1332 23.740 -25.866 15.586 0.00 0.00 WAT1 ATOM 6404 OH2 TIP3 1333 24.869 -28.640 15.610 0.00 0.00 WAT1 ATOM 6405 H1 TIP3 1333 24.522 -28.022 16.255 0.00 0.00 WAT1 ATOM 6406 H2 TIP3 1333 25.527 -28.139 15.129 0.00 0.00 WAT1 ATOM 6407 OH2 TIP3 1334 20.376 -18.996 9.724 0.00 0.00 WAT1 ATOM 6408 H1 TIP3 1334 20.440 -19.790 10.255 0.00 0.00 WAT1 ATOM 6409 H2 TIP3 1334 21.029 -19.115 9.035 0.00 0.00 WAT1 ATOM 6410 OH2 TIP3 1335 21.525 -21.024 12.030 0.00 0.00 WAT1 ATOM 6411 H1 TIP3 1335 21.066 -21.508 12.716 0.00 0.00 WAT1 ATOM 6412 H2 TIP3 1335 21.780 -21.692 11.394 0.00 0.00 WAT1 ATOM 6413 OH2 TIP3 1336 22.596 -22.781 10.293 0.00 0.00 WAT1 ATOM 6414 H1 TIP3 1336 22.416 -22.935 9.365 0.00 0.00 WAT1 ATOM 6415 H2 TIP3 1336 23.547 -22.673 10.337 0.00 0.00 WAT1 ATOM 6416 OH2 TIP3 1337 21.566 -27.406 22.961 0.00 0.00 WAT1 ATOM 6417 H1 TIP3 1337 22.102 -26.955 22.309 0.00 0.00 WAT1 ATOM 6418 H2 TIP3 1337 20.714 -27.514 22.539 0.00 0.00 WAT1 ATOM 6419 OH2 TIP3 1338 17.813 -26.657 27.085 0.00 0.00 WAT1 ATOM 6420 H1 TIP3 1338 18.024 -27.364 26.474 0.00 0.00 WAT1 ATOM 6421 H2 TIP3 1338 17.701 -27.095 27.929 0.00 0.00 WAT1 ATOM 6422 OH2 TIP3 1339 16.062 -17.454 10.777 0.00 0.00 WAT1 ATOM 6423 H1 TIP3 1339 16.976 -17.375 11.050 0.00 0.00 WAT1 ATOM 6424 H2 TIP3 1339 16.069 -18.141 10.110 0.00 0.00 WAT1 ATOM 6425 OH2 TIP3 1340 15.661 -20.905 20.110 0.00 0.00 WAT1 ATOM 6426 H1 TIP3 1340 15.845 -20.987 19.175 0.00 0.00 WAT1 ATOM 6427 H2 TIP3 1340 16.510 -21.029 20.534 0.00 0.00 WAT1 ATOM 6428 OH2 TIP3 1341 15.259 -25.634 26.251 0.00 0.00 WAT1 ATOM 6429 H1 TIP3 1341 16.178 -25.756 26.487 0.00 0.00 WAT1 ATOM 6430 H2 TIP3 1341 14.809 -26.384 26.640 0.00 0.00 WAT1 ATOM 6431 OH2 TIP3 1342 14.784 -24.323 20.211 0.00 0.00 WAT1 ATOM 6432 H1 TIP3 1342 15.276 -24.544 19.421 0.00 0.00 WAT1 ATOM 6433 H2 TIP3 1342 15.146 -23.482 20.492 0.00 0.00 WAT1 ATOM 6434 OH2 TIP3 1343 22.117 -29.893 16.254 0.00 0.00 WAT1 ATOM 6435 H1 TIP3 1343 22.991 -29.505 16.224 0.00 0.00 WAT1 ATOM 6436 H2 TIP3 1343 21.981 -30.108 17.177 0.00 0.00 WAT1 ATOM 6437 OH2 TIP3 1344 23.261 -27.813 13.144 0.00 0.00 WAT1 ATOM 6438 H1 TIP3 1344 23.439 -28.459 13.827 0.00 0.00 WAT1 ATOM 6439 H2 TIP3 1344 23.207 -26.979 13.611 0.00 0.00 WAT1 ATOM 6440 OH2 TIP3 1345 17.495 -29.306 25.958 0.00 0.00 WAT1 ATOM 6441 H1 TIP3 1345 17.129 -30.071 26.401 0.00 0.00 WAT1 ATOM 6442 H2 TIP3 1345 18.408 -29.277 26.245 0.00 0.00 WAT1 ATOM 6443 OH2 TIP3 1346 19.468 -29.955 27.494 0.00 0.00 WAT1 ATOM 6444 H1 TIP3 1346 20.367 -30.229 27.309 0.00 0.00 WAT1 ATOM 6445 H2 TIP3 1346 19.082 -30.698 27.958 0.00 0.00 WAT1 ATOM 6446 OH2 TIP3 1347 25.549 -2.553 -17.894 0.00 0.00 WAT1 ATOM 6447 H1 TIP3 1347 25.511 -3.199 -17.189 0.00 0.00 WAT1 ATOM 6448 H2 TIP3 1347 25.226 -3.019 -18.665 0.00 0.00 WAT1 ATOM 6449 OH2 TIP3 1348 17.917 -2.938 -16.301 0.00 0.00 WAT1 ATOM 6450 H1 TIP3 1348 17.959 -3.564 -15.577 0.00 0.00 WAT1 ATOM 6451 H2 TIP3 1348 18.620 -2.315 -16.119 0.00 0.00 WAT1 ATOM 6452 OH2 TIP3 1349 23.938 -0.120 -17.488 0.00 0.00 WAT1 ATOM 6453 H1 TIP3 1349 24.242 -0.806 -18.082 0.00 0.00 WAT1 ATOM 6454 H2 TIP3 1349 24.660 -0.002 -16.870 0.00 0.00 WAT1 ATOM 6455 OH2 TIP3 1350 32.601 -8.519 -16.627 0.00 0.00 WAT1 ATOM 6456 H1 TIP3 1350 32.650 -7.909 -15.891 0.00 0.00 WAT1 ATOM 6457 H2 TIP3 1350 33.027 -8.058 -17.350 0.00 0.00 WAT1 ATOM 6458 OH2 TIP3 1351 20.234 -7.625 -19.888 0.00 0.00 WAT1 ATOM 6459 H1 TIP3 1351 20.277 -6.765 -20.306 0.00 0.00 WAT1 ATOM 6460 H2 TIP3 1351 19.776 -8.177 -20.521 0.00 0.00 WAT1 ATOM 6461 OH2 TIP3 1352 27.956 -7.494 -21.487 0.00 0.00 WAT1 ATOM 6462 H1 TIP3 1352 28.602 -7.823 -20.862 0.00 0.00 WAT1 ATOM 6463 H2 TIP3 1352 28.466 -6.976 -22.110 0.00 0.00 WAT1 ATOM 6464 OH2 TIP3 1353 16.854 -5.228 -19.126 0.00 0.00 WAT1 ATOM 6465 H1 TIP3 1353 17.508 -5.778 -18.694 0.00 0.00 WAT1 ATOM 6466 H2 TIP3 1353 16.878 -5.502 -20.042 0.00 0.00 WAT1 ATOM 6467 OH2 TIP3 1354 22.010 -3.678 -19.910 0.00 0.00 WAT1 ATOM 6468 H1 TIP3 1354 22.626 -4.204 -19.401 0.00 0.00 WAT1 ATOM 6469 H2 TIP3 1354 21.424 -4.318 -20.314 0.00 0.00 WAT1 ATOM 6470 OH2 TIP3 1355 32.993 -7.041 -14.391 0.00 0.00 WAT1 ATOM 6471 H1 TIP3 1355 32.304 -6.383 -14.486 0.00 0.00 WAT1 ATOM 6472 H2 TIP3 1355 33.008 -7.238 -13.454 0.00 0.00 WAT1 ATOM 6473 OH2 TIP3 1356 21.613 -1.031 -15.526 0.00 0.00 WAT1 ATOM 6474 H1 TIP3 1356 20.873 -0.433 -15.423 0.00 0.00 WAT1 ATOM 6475 H2 TIP3 1356 22.327 -0.477 -15.842 0.00 0.00 WAT1 ATOM 6476 OH2 TIP3 1357 29.720 -8.203 -19.506 0.00 0.00 WAT1 ATOM 6477 H1 TIP3 1357 29.505 -8.969 -18.974 0.00 0.00 WAT1 ATOM 6478 H2 TIP3 1357 30.376 -7.731 -18.993 0.00 0.00 WAT1 ATOM 6479 OH2 TIP3 1358 18.638 -6.815 -17.861 0.00 0.00 WAT1 ATOM 6480 H1 TIP3 1358 19.251 -6.182 -17.488 0.00 0.00 WAT1 ATOM 6481 H2 TIP3 1358 19.150 -7.287 -18.518 0.00 0.00 WAT1 ATOM 6482 OH2 TIP3 1359 20.021 0.933 -14.739 0.00 0.00 WAT1 ATOM 6483 H1 TIP3 1359 20.015 1.812 -15.117 0.00 0.00 WAT1 ATOM 6484 H2 TIP3 1359 19.167 0.850 -14.314 0.00 0.00 WAT1 ATOM 6485 OH2 TIP3 1360 30.067 -9.488 -15.827 0.00 0.00 WAT1 ATOM 6486 H1 TIP3 1360 29.331 -8.877 -15.865 0.00 0.00 WAT1 ATOM 6487 H2 TIP3 1360 30.751 -9.073 -16.353 0.00 0.00 WAT1 ATOM 6488 OH2 TIP3 1361 23.070 -11.401 -18.361 0.00 0.00 WAT1 ATOM 6489 H1 TIP3 1361 22.953 -12.350 -18.415 0.00 0.00 WAT1 ATOM 6490 H2 TIP3 1361 22.215 -11.069 -18.088 0.00 0.00 WAT1 ATOM 6491 OH2 TIP3 1362 28.640 -4.180 -13.841 0.00 0.00 WAT1 ATOM 6492 H1 TIP3 1362 28.720 -3.417 -13.269 0.00 0.00 WAT1 ATOM 6493 H2 TIP3 1362 28.039 -3.901 -14.532 0.00 0.00 WAT1 ATOM 6494 OH2 TIP3 1363 20.755 -2.955 -17.393 0.00 0.00 WAT1 ATOM 6495 H1 TIP3 1363 21.320 -2.834 -18.156 0.00 0.00 WAT1 ATOM 6496 H2 TIP3 1363 21.074 -2.318 -16.754 0.00 0.00 WAT1 ATOM 6497 OH2 TIP3 1364 18.555 -2.358 -13.447 0.00 0.00 WAT1 ATOM 6498 H1 TIP3 1364 18.625 -1.707 -12.749 0.00 0.00 WAT1 ATOM 6499 H2 TIP3 1364 17.664 -2.255 -13.782 0.00 0.00 WAT1 ATOM 6500 OH2 TIP3 1365 30.571 -5.352 -11.576 0.00 0.00 WAT1 ATOM 6501 H1 TIP3 1365 30.164 -4.871 -12.296 0.00 0.00 WAT1 ATOM 6502 H2 TIP3 1365 30.612 -6.257 -11.883 0.00 0.00 WAT1 ATOM 6503 OH2 TIP3 1366 20.339 -10.498 -17.583 0.00 0.00 WAT1 ATOM 6504 H1 TIP3 1366 19.478 -10.585 -17.991 0.00 0.00 WAT1 ATOM 6505 H2 TIP3 1366 20.317 -9.642 -17.156 0.00 0.00 WAT1 ATOM 6506 OH2 TIP3 1367 20.427 -5.311 -21.576 0.00 0.00 WAT1 ATOM 6507 H1 TIP3 1367 19.534 -5.652 -21.635 0.00 0.00 WAT1 ATOM 6508 H2 TIP3 1367 20.878 -5.688 -22.332 0.00 0.00 WAT1 ATOM 6509 OH2 TIP3 1368 26.967 -5.449 -19.945 0.00 0.00 WAT1 ATOM 6510 H1 TIP3 1368 26.772 -4.844 -20.660 0.00 0.00 WAT1 ATOM 6511 H2 TIP3 1368 27.149 -6.283 -20.380 0.00 0.00 WAT1 ATOM 6512 OH2 TIP3 1369 14.788 -8.096 -20.771 0.00 0.00 WAT1 ATOM 6513 H1 TIP3 1369 15.419 -8.125 -20.051 0.00 0.00 WAT1 ATOM 6514 H2 TIP3 1369 15.238 -8.521 -21.501 0.00 0.00 WAT1 ATOM 6515 OH2 TIP3 1370 23.009 -7.884 -20.490 0.00 0.00 WAT1 ATOM 6516 H1 TIP3 1370 22.098 -7.827 -20.201 0.00 0.00 WAT1 ATOM 6517 H2 TIP3 1370 23.514 -7.944 -19.679 0.00 0.00 WAT1 ATOM 6518 OH2 TIP3 1371 18.299 -0.503 -11.341 0.00 0.00 WAT1 ATOM 6519 H1 TIP3 1371 19.032 -0.249 -10.780 0.00 0.00 WAT1 ATOM 6520 H2 TIP3 1371 17.519 -0.299 -10.826 0.00 0.00 WAT1 ATOM 6521 OH2 TIP3 1372 24.329 -5.096 -18.603 0.00 0.00 WAT1 ATOM 6522 H1 TIP3 1372 24.893 -5.643 -19.150 0.00 0.00 WAT1 ATOM 6523 H2 TIP3 1372 24.181 -5.618 -17.814 0.00 0.00 WAT1 ATOM 6524 OH2 TIP3 1373 19.331 -8.960 -22.185 0.00 0.00 WAT1 ATOM 6525 H1 TIP3 1373 19.014 -9.862 -22.220 0.00 0.00 WAT1 ATOM 6526 H2 TIP3 1373 20.112 -8.958 -22.737 0.00 0.00 WAT1 ATOM 6527 OH2 TIP3 1374 25.019 -0.311 -13.267 0.00 0.00 WAT1 ATOM 6528 H1 TIP3 1374 24.673 -0.692 -12.461 0.00 0.00 WAT1 ATOM 6529 H2 TIP3 1374 24.819 0.623 -13.196 0.00 0.00 WAT1 ATOM 6530 OH2 TIP3 1375 15.632 -2.739 -13.420 0.00 0.00 WAT1 ATOM 6531 H1 TIP3 1375 15.855 -3.157 -12.588 0.00 0.00 WAT1 ATOM 6532 H2 TIP3 1375 15.030 -3.352 -13.842 0.00 0.00 WAT1 ATOM 6533 OH2 TIP3 1376 22.649 -3.222 -11.207 0.00 0.00 WAT1 ATOM 6534 H1 TIP3 1376 22.353 -3.388 -12.102 0.00 0.00 WAT1 ATOM 6535 H2 TIP3 1376 23.580 -3.442 -11.217 0.00 0.00 WAT1 ATOM 6536 OH2 TIP3 1377 28.456 -2.010 -17.463 0.00 0.00 WAT1 ATOM 6537 H1 TIP3 1377 27.528 -2.242 -17.490 0.00 0.00 WAT1 ATOM 6538 H2 TIP3 1377 28.907 -2.787 -17.793 0.00 0.00 WAT1 ATOM 6539 OH2 TIP3 1378 26.485 0.229 -15.738 0.00 0.00 WAT1 ATOM 6540 H1 TIP3 1378 26.059 0.002 -14.912 0.00 0.00 WAT1 ATOM 6541 H2 TIP3 1378 27.066 -0.509 -15.921 0.00 0.00 WAT1 ATOM 6542 OH2 TIP3 1379 24.869 -9.784 -22.102 0.00 0.00 WAT1 ATOM 6543 H1 TIP3 1379 24.522 -9.166 -21.457 0.00 0.00 WAT1 ATOM 6544 H2 TIP3 1379 25.527 -9.283 -22.583 0.00 0.00 WAT1 ATOM 6545 OH2 TIP3 1380 30.725 -7.972 -13.020 0.00 0.00 WAT1 ATOM 6546 H1 TIP3 1380 29.809 -7.709 -13.108 0.00 0.00 WAT1 ATOM 6547 H2 TIP3 1380 31.061 -7.975 -13.917 0.00 0.00 WAT1 ATOM 6548 OH2 TIP3 1381 29.327 -4.221 -18.924 0.00 0.00 WAT1 ATOM 6549 H1 TIP3 1381 28.530 -4.636 -19.253 0.00 0.00 WAT1 ATOM 6550 H2 TIP3 1381 29.772 -4.912 -18.433 0.00 0.00 WAT1 ATOM 6551 OH2 TIP3 1382 22.690 -0.514 -10.687 0.00 0.00 WAT1 ATOM 6552 H1 TIP3 1382 22.362 -0.243 -11.545 0.00 0.00 WAT1 ATOM 6553 H2 TIP3 1382 22.842 -1.455 -10.775 0.00 0.00 WAT1 ATOM 6554 OH2 TIP3 1383 28.425 -0.598 -13.304 0.00 0.00 WAT1 ATOM 6555 H1 TIP3 1383 29.170 -0.010 -13.424 0.00 0.00 WAT1 ATOM 6556 H2 TIP3 1383 27.668 -0.016 -13.241 0.00 0.00 WAT1 ATOM 6557 OH2 TIP3 1384 16.867 -3.284 -10.700 0.00 0.00 WAT1 ATOM 6558 H1 TIP3 1384 17.275 -4.141 -10.821 0.00 0.00 WAT1 ATOM 6559 H2 TIP3 1384 16.607 -3.269 -9.779 0.00 0.00 WAT1 ATOM 6560 OH2 TIP3 1385 25.834 -1.804 -10.048 0.00 0.00 WAT1 ATOM 6561 H1 TIP3 1385 26.787 -1.720 -10.076 0.00 0.00 WAT1 ATOM 6562 H2 TIP3 1385 25.674 -2.515 -9.429 0.00 0.00 WAT1 ATOM 6563 OH2 TIP3 1386 27.564 -5.296 -9.483 0.00 0.00 WAT1 ATOM 6564 H1 TIP3 1386 27.756 -6.227 -9.594 0.00 0.00 WAT1 ATOM 6565 H2 TIP3 1386 28.421 -4.871 -9.493 0.00 0.00 WAT1 ATOM 6566 OH2 TIP3 1387 28.880 -2.507 -11.405 0.00 0.00 WAT1 ATOM 6567 H1 TIP3 1387 28.599 -1.798 -11.983 0.00 0.00 WAT1 ATOM 6568 H2 TIP3 1387 29.823 -2.580 -11.556 0.00 0.00 WAT1 ATOM 6569 OH2 TIP3 1388 27.986 -9.011 -9.675 0.00 0.00 WAT1 ATOM 6570 H1 TIP3 1388 27.889 -9.963 -9.681 0.00 0.00 WAT1 ATOM 6571 H2 TIP3 1388 27.664 -8.742 -8.814 0.00 0.00 WAT1 ATOM 6572 OH2 TIP3 1389 30.948 -5.963 -17.714 0.00 0.00 WAT1 ATOM 6573 H1 TIP3 1389 31.881 -5.751 -17.748 0.00 0.00 WAT1 ATOM 6574 H2 TIP3 1389 30.713 -5.861 -16.791 0.00 0.00 WAT1 ATOM 6575 OH2 TIP3 1390 30.977 -5.226 -14.938 0.00 0.00 WAT1 ATOM 6576 H1 TIP3 1390 30.134 -4.958 -14.572 0.00 0.00 WAT1 ATOM 6577 H2 TIP3 1390 31.420 -4.404 -15.149 0.00 0.00 WAT1 ATOM 6578 OH2 TIP3 1391 15.259 -6.778 -11.461 0.00 0.00 WAT1 ATOM 6579 H1 TIP3 1391 16.178 -6.900 -11.225 0.00 0.00 WAT1 ATOM 6580 H2 TIP3 1391 14.809 -7.528 -11.072 0.00 0.00 WAT1 ATOM 6581 OH2 TIP3 1392 16.480 -8.466 -18.570 0.00 0.00 WAT1 ATOM 6582 H1 TIP3 1392 16.925 -9.258 -18.268 0.00 0.00 WAT1 ATOM 6583 H2 TIP3 1392 16.946 -7.750 -18.139 0.00 0.00 WAT1 ATOM 6584 OH2 TIP3 1393 14.784 -5.467 -17.501 0.00 0.00 WAT1 ATOM 6585 H1 TIP3 1393 15.276 -5.688 -18.291 0.00 0.00 WAT1 ATOM 6586 H2 TIP3 1393 15.146 -4.626 -17.220 0.00 0.00 WAT1 ATOM 6587 OH2 TIP3 1394 31.781 -11.047 -13.416 0.00 0.00 WAT1 ATOM 6588 H1 TIP3 1394 30.968 -10.722 -13.804 0.00 0.00 WAT1 ATOM 6589 H2 TIP3 1394 32.014 -11.807 -13.949 0.00 0.00 WAT1 ATOM 6590 OH2 TIP3 1395 25.211 -9.598 -19.093 0.00 0.00 WAT1 ATOM 6591 H1 TIP3 1395 24.536 -10.227 -18.838 0.00 0.00 WAT1 ATOM 6592 H2 TIP3 1395 25.775 -10.082 -19.696 0.00 0.00 WAT1 ATOM 6593 OH2 TIP3 1396 30.353 -11.491 -18.981 0.00 0.00 WAT1 ATOM 6594 H1 TIP3 1396 30.957 -10.943 -19.482 0.00 0.00 WAT1 ATOM 6595 H2 TIP3 1396 29.484 -11.171 -19.221 0.00 0.00 WAT1 ATOM 6596 OH2 TIP3 1397 17.537 -10.964 -21.271 0.00 0.00 WAT1 ATOM 6597 H1 TIP3 1397 16.760 -11.198 -21.779 0.00 0.00 WAT1 ATOM 6598 H2 TIP3 1397 18.068 -11.761 -21.263 0.00 0.00 WAT1 ATOM 6599 OH2 TIP3 1398 22.117 -11.037 -21.458 0.00 0.00 WAT1 ATOM 6600 H1 TIP3 1398 22.991 -10.649 -21.488 0.00 0.00 WAT1 ATOM 6601 H2 TIP3 1398 21.981 -11.252 -20.535 0.00 0.00 WAT1 ATOM 6602 OH2 TIP3 1399 27.674 -11.007 -19.809 0.00 0.00 WAT1 ATOM 6603 H1 TIP3 1399 27.750 -10.912 -20.758 0.00 0.00 WAT1 ATOM 6604 H2 TIP3 1399 27.398 -11.915 -19.680 0.00 0.00 WAT1 ATOM 6605 OH2 TIP3 1400 27.890 -11.767 -10.036 0.00 0.00 WAT1 ATOM 6606 H1 TIP3 1400 27.966 -12.193 -9.182 0.00 0.00 WAT1 ATOM 6607 H2 TIP3 1400 28.783 -11.753 -10.378 0.00 0.00 WAT1 ATOM 6608 OH2 TIP3 1401 15.451 -4.828 -3.517 0.00 0.00 WAT1 ATOM 6609 H1 TIP3 1401 15.003 -3.982 -3.535 0.00 0.00 WAT1 ATOM 6610 H2 TIP3 1401 14.890 -5.408 -4.032 0.00 0.00 WAT1 ATOM 6611 OH2 TIP3 1402 25.391 -4.106 -7.966 0.00 0.00 WAT1 ATOM 6612 H1 TIP3 1402 26.092 -4.084 -7.315 0.00 0.00 WAT1 ATOM 6613 H2 TIP3 1402 25.693 -4.734 -8.622 0.00 0.00 WAT1 ATOM 6614 OH2 TIP3 1403 24.664 -8.283 -8.068 0.00 0.00 WAT1 ATOM 6615 H1 TIP3 1403 24.410 -8.264 -7.145 0.00 0.00 WAT1 ATOM 6616 H2 TIP3 1403 24.407 -9.155 -8.369 0.00 0.00 WAT1 ATOM 6617 OH2 TIP3 1404 14.788 -8.096 -1.915 0.00 0.00 WAT1 ATOM 6618 H1 TIP3 1404 15.419 -8.125 -1.195 0.00 0.00 WAT1 ATOM 6619 H2 TIP3 1404 15.238 -8.521 -2.645 0.00 0.00 WAT1 ATOM 6620 OH2 TIP3 1405 16.063 -7.350 -6.491 0.00 0.00 WAT1 ATOM 6621 H1 TIP3 1405 16.537 -6.759 -7.076 0.00 0.00 WAT1 ATOM 6622 H2 TIP3 1405 15.345 -6.819 -6.144 0.00 0.00 WAT1 ATOM 6623 OH2 TIP3 1406 17.837 -6.255 -2.807 0.00 0.00 WAT1 ATOM 6624 H1 TIP3 1406 16.948 -6.155 -3.147 0.00 0.00 WAT1 ATOM 6625 H2 TIP3 1406 18.133 -7.097 -3.153 0.00 0.00 WAT1 ATOM 6626 OH2 TIP3 1407 21.490 -6.255 -5.151 0.00 0.00 WAT1 ATOM 6627 H1 TIP3 1407 22.422 -6.126 -4.973 0.00 0.00 WAT1 ATOM 6628 H2 TIP3 1407 21.275 -5.585 -5.800 0.00 0.00 WAT1 ATOM 6629 OH2 TIP3 1408 20.164 -5.060 -7.584 0.00 0.00 WAT1 ATOM 6630 H1 TIP3 1408 19.622 -5.440 -8.275 0.00 0.00 WAT1 ATOM 6631 H2 TIP3 1408 20.998 -4.866 -8.013 0.00 0.00 WAT1 ATOM 6632 OH2 TIP3 1409 19.331 -8.960 -3.329 0.00 0.00 WAT1 ATOM 6633 H1 TIP3 1409 19.014 -9.862 -3.364 0.00 0.00 WAT1 ATOM 6634 H2 TIP3 1409 20.112 -8.958 -3.881 0.00 0.00 WAT1 ATOM 6635 OH2 TIP3 1410 27.397 -7.681 -7.449 0.00 0.00 WAT1 ATOM 6636 H1 TIP3 1410 26.459 -7.569 -7.600 0.00 0.00 WAT1 ATOM 6637 H2 TIP3 1410 27.694 -6.824 -7.143 0.00 0.00 WAT1 ATOM 6638 OH2 TIP3 1411 16.754 -2.820 -7.887 0.00 0.00 WAT1 ATOM 6639 H1 TIP3 1411 17.370 -2.193 -7.508 0.00 0.00 WAT1 ATOM 6640 H2 TIP3 1411 15.892 -2.504 -7.616 0.00 0.00 WAT1 ATOM 6641 OH2 TIP3 1412 20.526 -8.721 -6.558 0.00 0.00 WAT1 ATOM 6642 H1 TIP3 1412 20.443 -7.832 -6.212 0.00 0.00 WAT1 ATOM 6643 H2 TIP3 1412 21.416 -8.986 -6.327 0.00 0.00 WAT1 ATOM 6644 OH2 TIP3 1413 17.101 -5.629 -8.382 0.00 0.00 WAT1 ATOM 6645 H1 TIP3 1413 17.056 -4.690 -8.203 0.00 0.00 WAT1 ATOM 6646 H2 TIP3 1413 16.213 -5.865 -8.652 0.00 0.00 WAT1 ATOM 6647 OH2 TIP3 1414 20.376 -0.140 -9.132 0.00 0.00 WAT1 ATOM 6648 H1 TIP3 1414 20.440 -0.934 -8.601 0.00 0.00 WAT1 ATOM 6649 H2 TIP3 1414 21.029 -0.259 -9.821 0.00 0.00 WAT1 ATOM 6650 OH2 TIP3 1415 21.525 -2.168 -6.826 0.00 0.00 WAT1 ATOM 6651 H1 TIP3 1415 21.066 -2.652 -6.140 0.00 0.00 WAT1 ATOM 6652 H2 TIP3 1415 21.780 -2.836 -7.462 0.00 0.00 WAT1 ATOM 6653 OH2 TIP3 1416 22.596 -3.925 -8.563 0.00 0.00 WAT1 ATOM 6654 H1 TIP3 1416 22.416 -4.079 -9.491 0.00 0.00 WAT1 ATOM 6655 H2 TIP3 1416 23.547 -3.817 -8.519 0.00 0.00 WAT1 ATOM 6656 OH2 TIP3 1417 30.704 -8.099 -9.260 0.00 0.00 WAT1 ATOM 6657 H1 TIP3 1417 31.314 -8.471 -8.623 0.00 0.00 WAT1 ATOM 6658 H2 TIP3 1417 29.867 -8.521 -9.064 0.00 0.00 WAT1 ATOM 6659 OH2 TIP3 1418 16.480 -8.466 0.286 0.00 0.00 WAT1 ATOM 6660 H1 TIP3 1418 16.925 -9.258 0.588 0.00 0.00 WAT1 ATOM 6661 H2 TIP3 1418 16.946 -7.750 0.717 0.00 0.00 WAT1 ATOM 6662 OH2 TIP3 1419 17.537 -10.964 -2.415 0.00 0.00 WAT1 ATOM 6663 H1 TIP3 1419 16.760 -11.198 -2.923 0.00 0.00 WAT1 ATOM 6664 H2 TIP3 1419 18.068 -11.761 -2.407 0.00 0.00 WAT1 ATOM 6665 OH2 TIP3 1420 23.261 -8.957 -5.712 0.00 0.00 WAT1 ATOM 6666 H1 TIP3 1420 23.439 -9.603 -5.029 0.00 0.00 WAT1 ATOM 6667 H2 TIP3 1420 23.207 -8.123 -5.245 0.00 0.00 WAT1 END