REMARK FILENAME="/farm/data/gliu/projects/HR4495E/cns/calc15/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:13-Sep-2010 14:06:14 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 9.241 -6.565 -9.808 1.00 71.42 ATOM 2 CB MET 1 11.146 -6.509 -10.794 1.00 14.11 ATOM 3 HB1 MET 1 11.856 -6.631 -9.983 1.00 37.53 ATOM 4 HB2 MET 1 11.601 -5.882 -11.549 1.00 31.00 ATOM 5 CG MET 1 10.884 -7.889 -11.375 1.00 32.03 ATOM 6 HG1 MET 1 10.135 -8.392 -10.777 1.00 37.53 ATOM 7 HG2 MET 1 11.805 -8.453 -11.331 1.00 54.44 ATOM 8 SD MET 1 10.340 -7.828 -13.093 1.00 11.23 ATOM 9 CE MET 1 8.879 -8.862 -13.022 1.00 51.43 ATOM 10 HE1 MET 1 9.155 -9.852 -12.691 1.00 41.21 ATOM 11 HE2 MET 1 8.432 -8.922 -14.003 1.00 71.15 ATOM 12 HE3 MET 1 8.169 -8.435 -12.329 1.00 34.34 ATOM 13 C MET 1 10.268 -4.792 -9.200 1.00 41.32 ATOM 14 O MET 1 10.874 -3.766 -9.507 1.00 63.35 ATOM 15 N MET 1 9.149 -5.197 -11.350 1.00 41.12 ATOM 16 HT1 MET 1 8.699 -5.918 -11.941 1.00 37.53 ATOM 17 HT2 MET 1 9.780 -4.619 -11.945 1.00 37.53 ATOM 18 HT3 MET 1 8.398 -4.578 -10.972 1.00 37.53 ATOM 19 CA MET 1 9.888 -5.822 -10.259 1.00 53.30 ATOM 20 N GLY 2 9.907 -5.072 -7.951 1.00 43.04 ATOM 21 HN GLY 2 9.423 -5.905 -7.751 1.00 37.53 ATOM 22 CA GLY 2 10.219 -4.160 -6.867 1.00 0.33 ATOM 23 HA1 GLY 2 9.599 -4.417 -6.019 1.00 37.53 ATOM 24 HA2 GLY 2 9.986 -3.145 -7.169 1.00 24.24 ATOM 25 C GLY 2 11.676 -4.227 -6.453 1.00 34.43 ATOM 26 O GLY 2 12.565 -4.330 -7.298 1.00 71.43 ATOM 27 N HIS 3 11.922 -4.168 -5.148 1.00 12.23 ATOM 28 HN HIS 3 11.167 -4.112 -4.519 1.00 37.53 ATOM 29 CA HIS 3 13.282 -4.222 -4.623 1.00 14.10 ATOM 30 HA HIS 3 13.901 -3.554 -5.211 1.00 25.13 ATOM 31 CB HIS 3 13.308 -3.755 -3.167 1.00 60.32 ATOM 32 HB1 HIS 3 14.327 -3.777 -2.803 1.00 37.53 ATOM 33 HB2 HIS 3 12.703 -4.422 -2.569 1.00 74.15 ATOM 34 CG HIS 3 12.779 -2.367 -2.973 1.00 64.45 ATOM 35 ND1 HIS 3 11.433 -2.075 -2.924 1.00 32.11 ATOM 36 HD1 HIS 3 10.702 -2.722 -2.993 1.00 61.00 ATOM 37 CD2 HIS 3 13.425 -1.188 -2.815 1.00 31.32 ATOM 38 HD2 HIS 3 14.496 -1.040 -2.801 1.00 73.51 ATOM 39 CE1 HIS 3 11.273 -0.776 -2.745 1.00 12.00 ATOM 40 HE1 HIS 3 10.327 -0.261 -2.668 1.00 55.12 ATOM 41 NE2 HIS 3 12.466 -0.215 -2.675 1.00 45.10 ATOM 42 HE2 HIS 3 12.636 0.724 -2.453 1.00 37.53 ATOM 43 C HIS 3 13.848 -5.635 -4.727 1.00 42.30 ATOM 44 O HIS 3 13.102 -6.607 -4.847 1.00 13.23 ATOM 45 N HIS 4 15.172 -5.741 -4.681 1.00 45.04 ATOM 46 HN HIS 4 15.719 -4.927 -4.569 1.00 37.53 ATOM 47 CA HIS 4 15.839 -7.035 -4.771 1.00 22.23 ATOM 48 HA HIS 4 15.257 -7.671 -5.432 1.00 14.25 ATOM 49 CB HIS 4 17.245 -6.870 -5.348 1.00 41.42 ATOM 50 HB1 HIS 4 17.957 -6.658 -4.561 1.00 37.53 ATOM 51 HB2 HIS 4 17.244 -6.043 -6.045 1.00 11.55 ATOM 52 CG HIS 4 17.731 -8.073 -6.096 1.00 40.21 ATOM 53 ND1 HIS 4 17.212 -9.336 -5.908 1.00 20.33 ATOM 54 HD1 HIS 4 16.497 -9.581 -5.287 1.00 30.22 ATOM 55 CD2 HIS 4 18.693 -8.200 -7.040 1.00 4.25 ATOM 56 HD2 HIS 4 19.310 -7.406 -7.437 1.00 51.22 ATOM 57 CE1 HIS 4 17.835 -10.189 -6.702 1.00 3.25 ATOM 58 HE1 HIS 4 17.638 -11.249 -6.771 1.00 73.45 ATOM 59 NE2 HIS 4 18.739 -9.524 -7.399 1.00 73.33 ATOM 60 HE2 HIS 4 19.403 -9.929 -7.995 1.00 37.53 ATOM 61 C HIS 4 15.914 -7.703 -3.401 1.00 64.31 ATOM 62 O HIS 4 15.389 -8.800 -3.204 1.00 45.32 ATOM 63 N HIS 5 16.571 -7.036 -2.458 1.00 1.24 ATOM 64 HN HIS 5 16.961 -6.155 -2.673 1.00 37.53 ATOM 65 CA HIS 5 16.715 -7.565 -1.106 1.00 61.32 ATOM 66 HA HIS 5 17.075 -8.585 -1.176 1.00 64.11 ATOM 67 CB HIS 5 17.727 -6.735 -0.316 1.00 14.15 ATOM 68 HB1 HIS 5 17.688 -7.013 0.730 1.00 37.53 ATOM 69 HB2 HIS 5 17.478 -5.689 -0.413 1.00 12.45 ATOM 70 CG HIS 5 19.140 -6.914 -0.777 1.00 40.05 ATOM 71 ND1 HIS 5 19.778 -6.020 -1.611 1.00 62.23 ATOM 72 HD1 HIS 5 19.387 -5.200 -1.978 1.00 53.01 ATOM 73 CD2 HIS 5 20.040 -7.891 -0.516 1.00 11.41 ATOM 74 HD2 HIS 5 19.881 -8.759 0.108 1.00 1.54 ATOM 75 CE1 HIS 5 21.009 -6.440 -1.844 1.00 71.21 ATOM 76 HE1 HIS 5 21.741 -5.941 -2.462 1.00 25.53 ATOM 77 NE2 HIS 5 21.193 -7.573 -1.191 1.00 21.14 ATOM 78 HE2 HIS 5 21.986 -8.144 -1.263 1.00 37.53 ATOM 79 C HIS 5 15.372 -7.578 -0.382 1.00 4.13 ATOM 80 O HIS 5 14.403 -6.972 -0.839 1.00 73.33 ATOM 81 N HIS 6 15.323 -8.272 0.751 1.00 71.33 ATOM 82 HN HIS 6 16.127 -8.748 1.067 1.00 37.53 ATOM 83 CA HIS 6 14.099 -8.364 1.538 1.00 13.15 ATOM 84 HA HIS 6 13.417 -7.586 1.212 1.00 33.24 ATOM 85 CB HIS 6 13.439 -9.729 1.338 1.00 2.32 ATOM 86 HB1 HIS 6 12.827 -9.972 2.199 1.00 37.53 ATOM 87 HB2 HIS 6 14.203 -10.485 1.228 1.00 14.50 ATOM 88 CG HIS 6 12.554 -9.795 0.132 1.00 64.04 ATOM 89 ND1 HIS 6 12.432 -10.924 -0.651 1.00 34.05 ATOM 90 HD1 HIS 6 12.897 -11.774 -0.506 1.00 44.03 ATOM 91 CD2 HIS 6 11.745 -8.864 -0.425 1.00 13.13 ATOM 92 HD2 HIS 6 11.592 -7.854 -0.071 1.00 10.42 ATOM 93 CE1 HIS 6 11.586 -10.684 -1.637 1.00 1.12 ATOM 94 HE1 HIS 6 11.295 -11.385 -2.405 1.00 21.23 ATOM 95 NE2 HIS 6 11.155 -9.441 -1.522 1.00 54.23 ATOM 96 HE2 HIS 6 10.452 -9.034 -2.070 1.00 37.53 ATOM 97 C HIS 6 14.387 -8.138 3.019 1.00 5.34 ATOM 98 O HIS 6 15.274 -8.771 3.593 1.00 31.15 ATOM 99 N HIS 7 13.634 -7.230 3.632 1.00 21.25 ATOM 100 HN HIS 7 12.929 -6.761 3.124 1.00 37.53 ATOM 101 CA HIS 7 13.809 -6.920 5.047 1.00 65.30 ATOM 102 HA HIS 7 14.870 -6.856 5.255 1.00 60.32 ATOM 103 CB HIS 7 13.167 -5.573 5.379 1.00 31.31 ATOM 104 HB1 HIS 7 13.364 -5.332 6.415 1.00 37.53 ATOM 105 HB2 HIS 7 12.097 -5.640 5.229 1.00 2.23 ATOM 106 CG HIS 7 13.680 -4.442 4.542 1.00 74.33 ATOM 107 ND1 HIS 7 14.993 -4.024 4.565 1.00 65.22 ATOM 108 HD1 HIS 7 15.707 -4.410 5.115 1.00 72.23 ATOM 109 CD2 HIS 7 13.047 -3.642 3.652 1.00 2.22 ATOM 110 HD2 HIS 7 12.002 -3.687 3.380 1.00 71.24 ATOM 111 CE1 HIS 7 15.147 -3.014 3.727 1.00 34.40 ATOM 112 HE1 HIS 7 16.069 -2.485 3.537 1.00 10.50 ATOM 113 NE2 HIS 7 13.980 -2.763 3.160 1.00 45.10 ATOM 114 HE2 HIS 7 13.832 -2.124 2.432 1.00 37.53 ATOM 115 C HIS 7 13.206 -8.015 5.922 1.00 52.21 ATOM 116 O HIS 7 13.714 -8.310 7.004 1.00 2.20 ATOM 117 N HIS 8 12.118 -8.613 5.447 1.00 62.25 ATOM 118 HN HIS 8 11.746 -8.335 4.578 1.00 37.53 ATOM 119 CA HIS 8 11.445 -9.675 6.186 1.00 60.22 ATOM 120 HA HIS 8 11.425 -9.398 7.236 1.00 34.35 ATOM 121 CB HIS 8 10.006 -9.834 5.695 1.00 72.12 ATOM 122 HB1 HIS 8 9.559 -10.702 6.164 1.00 37.53 ATOM 123 HB2 HIS 8 10.012 -9.976 4.624 1.00 61.45 ATOM 124 CG HIS 8 9.134 -8.656 6.002 1.00 4.55 ATOM 125 ND1 HIS 8 8.652 -8.385 7.266 1.00 63.42 ATOM 126 HD1 HIS 8 8.822 -8.919 8.070 1.00 31.53 ATOM 127 CD2 HIS 8 8.660 -7.672 5.202 1.00 30.42 ATOM 128 HD2 HIS 8 8.841 -7.565 4.142 1.00 73.35 ATOM 129 CE1 HIS 8 7.918 -7.288 7.229 1.00 75.20 ATOM 130 HE1 HIS 8 7.414 -6.836 8.071 1.00 61.13 ATOM 131 NE2 HIS 8 7.907 -6.836 5.988 1.00 14.52 ATOM 132 HE2 HIS 8 7.510 -5.988 5.699 1.00 37.53 ATOM 133 C HIS 8 12.193 -10.997 6.041 1.00 44.24 ATOM 134 O HIS 8 12.726 -11.306 4.975 1.00 73.14 ATOM 135 N SER 9 12.231 -11.772 7.120 1.00 75.03 ATOM 136 HN SER 9 11.796 -11.466 7.952 1.00 37.53 ATOM 137 CA SER 9 12.918 -13.058 7.114 1.00 73.23 ATOM 138 HA SER 9 12.819 -13.493 6.125 1.00 64.33 ATOM 139 CB SER 9 14.406 -12.867 7.413 1.00 52.44 ATOM 140 HB1 SER 9 14.968 -13.662 6.946 1.00 37.53 ATOM 141 HB2 SER 9 14.579 -12.883 8.482 1.00 33.24 ATOM 142 OG SER 9 14.872 -11.627 6.909 1.00 14.41 ATOM 143 HG SER 9 15.831 -11.607 6.943 1.00 51.14 ATOM 144 C SER 9 12.300 -14.009 8.135 1.00 4.31 ATOM 145 O SER 9 12.147 -13.664 9.307 1.00 22.45 ATOM 146 N HIS 10 11.947 -15.207 7.681 1.00 25.21 ATOM 147 HN HIS 10 12.101 -15.430 6.731 1.00 37.53 ATOM 148 CA HIS 10 11.347 -16.209 8.555 1.00 70.24 ATOM 149 HA HIS 10 10.517 -15.745 9.079 1.00 4.50 ATOM 150 CB HIS 10 10.816 -17.383 7.730 1.00 3.45 ATOM 151 HB1 HIS 10 10.505 -18.181 8.393 1.00 37.53 ATOM 152 HB2 HIS 10 11.602 -17.745 7.085 1.00 21.20 ATOM 153 CG HIS 10 9.644 -17.028 6.869 1.00 50.53 ATOM 154 ND1 HIS 10 9.050 -17.920 6.001 1.00 1.21 ATOM 155 HD1 HIS 10 9.324 -18.850 5.860 1.00 3.52 ATOM 156 CD2 HIS 10 8.954 -15.869 6.746 1.00 62.55 ATOM 157 HD2 HIS 10 9.145 -14.949 7.281 1.00 75.12 ATOM 158 CE1 HIS 10 8.047 -17.325 5.380 1.00 32.44 ATOM 159 HE1 HIS 10 7.401 -17.780 4.643 1.00 70.33 ATOM 160 NE2 HIS 10 7.967 -16.080 5.815 1.00 60.55 ATOM 161 HE2 HIS 10 7.370 -15.393 5.453 1.00 37.53 ATOM 162 C HIS 10 12.358 -16.710 9.582 1.00 15.33 ATOM 163 O HIS 10 13.553 -16.791 9.302 1.00 21.33 ATOM 164 N MET 11 11.868 -17.043 10.772 1.00 5.33 ATOM 165 HN MET 11 10.897 -16.971 10.935 1.00 37.53 ATOM 166 CA MET 11 12.729 -17.535 11.841 1.00 25.52 ATOM 167 HA MET 11 13.732 -17.146 11.694 1.00 21.13 ATOM 168 CB MET 11 12.215 -17.058 13.201 1.00 71.34 ATOM 169 HB1 MET 11 12.689 -17.636 13.987 1.00 37.53 ATOM 170 HB2 MET 11 11.147 -17.217 13.247 1.00 21.21 ATOM 171 CG MET 11 12.487 -15.587 13.471 1.00 33.41 ATOM 172 HG1 MET 11 11.917 -14.995 12.770 1.00 37.53 ATOM 173 HG2 MET 11 13.541 -15.394 13.330 1.00 51.01 ATOM 174 SD MET 11 12.034 -15.094 15.145 1.00 1.32 ATOM 175 CE MET 11 10.247 -15.153 15.044 1.00 52.51 ATOM 176 HE1 MET 11 9.823 -14.875 15.998 1.00 35.41 ATOM 177 HE2 MET 11 9.934 -16.155 14.789 1.00 33.23 ATOM 178 HE3 MET 11 9.906 -14.465 14.284 1.00 43.44 ATOM 179 C MET 11 12.805 -19.059 11.819 1.00 4.24 ATOM 180 O MET 11 12.103 -19.713 11.051 1.00 74.44 ATOM 181 N ASN 12 13.663 -19.616 12.668 1.00 60.40 ATOM 182 HN ASN 12 14.195 -19.041 13.269 1.00 37.53 ATOM 183 CA ASN 12 13.831 -21.063 12.745 1.00 71.11 ATOM 184 HA ASN 12 13.568 -21.487 11.780 1.00 24.24 ATOM 185 CB ASN 12 15.286 -21.412 13.063 1.00 63.33 ATOM 186 HB1 ASN 12 15.443 -21.423 14.135 1.00 37.53 ATOM 187 HB2 ASN 12 15.934 -20.665 12.624 1.00 43.12 ATOM 188 CG ASN 12 15.692 -22.762 12.504 1.00 61.41 ATOM 189 OD1 ASN 12 14.852 -23.531 12.036 1.00 31.12 ATOM 190 ND2 ASN 12 16.986 -23.057 12.550 1.00 22.04 ATOM 191 HD21 ASN 12 17.613 -22.404 12.935 1.00 22.22 ATOM 192 HD22 ASN 12 17.268 -23.925 12.193 1.00 23.13 ATOM 193 C ASN 12 12.910 -21.662 13.803 1.00 33.12 ATOM 194 O ASN 12 12.428 -20.959 14.691 1.00 31.14 ATOM 195 N SER 13 12.670 -22.966 13.702 1.00 51.41 ATOM 196 HN SER 13 13.083 -23.477 12.966 1.00 37.53 ATOM 197 CA SER 13 11.804 -23.659 14.648 1.00 20.31 ATOM 198 HA SER 13 10.825 -23.205 14.603 1.00 73.14 ATOM 199 CB SER 13 11.674 -25.135 14.266 1.00 25.10 ATOM 200 HB1 SER 13 11.405 -25.723 15.136 1.00 37.53 ATOM 201 HB2 SER 13 12.615 -25.494 13.874 1.00 3.40 ATOM 202 OG SER 13 10.671 -25.321 13.283 1.00 63.14 ATOM 203 HG SER 13 11.023 -25.101 12.416 1.00 75.13 ATOM 204 C SER 13 12.344 -23.536 16.070 1.00 52.13 ATOM 205 O SER 13 11.646 -23.076 16.973 1.00 52.44 ATOM 206 N ALA 14 13.592 -23.951 16.260 1.00 10.11 ATOM 207 HN ALA 14 14.102 -24.310 15.494 1.00 37.53 ATOM 208 CA ALA 14 14.227 -23.885 17.570 1.00 23.53 ATOM 209 HA ALA 14 13.712 -24.561 18.227 1.00 10.43 ATOM 210 CB ALA 14 15.680 -24.326 17.475 1.00 64.32 ATOM 211 HB1 ALA 14 16.220 -23.648 16.829 1.00 64.34 ATOM 212 HB2 ALA 14 15.728 -25.320 17.060 1.00 74.22 ATOM 213 HB3 ALA 14 16.132 -24.322 18.452 1.00 0.45 ATOM 214 C ALA 14 14.136 -22.480 18.155 1.00 22.11 ATOM 215 O ALA 14 13.946 -22.311 19.359 1.00 52.42 ATOM 216 N GLU 15 14.274 -21.476 17.295 1.00 41.02 ATOM 217 HN GLU 15 14.438 -21.669 16.342 1.00 37.53 ATOM 218 CA GLU 15 14.209 -20.085 17.728 1.00 33.22 ATOM 219 HA GLU 15 14.955 -19.937 18.500 1.00 23.02 ATOM 220 CB GLU 15 14.505 -19.148 16.556 1.00 41.13 ATOM 221 HB1 GLU 15 14.114 -18.161 16.776 1.00 37.53 ATOM 222 HB2 GLU 15 14.018 -19.523 15.673 1.00 33.30 ATOM 223 CG GLU 15 15.987 -18.999 16.255 1.00 60.10 ATOM 224 HG1 GLU 15 16.401 -19.976 16.049 1.00 37.53 ATOM 225 HG2 GLU 15 16.476 -18.578 17.121 1.00 12.20 ATOM 226 CD GLU 15 16.253 -18.098 15.065 1.00 2.30 ATOM 227 OE1 GLU 15 16.078 -16.869 15.202 1.00 51.33 ATOM 228 OE2 GLU 15 16.636 -18.621 13.998 1.00 42.42 ATOM 229 C GLU 15 12.838 -19.763 18.317 1.00 4.15 ATOM 230 O GLU 15 12.731 -19.339 19.468 1.00 50.44 ATOM 231 N GLN 16 11.795 -19.967 17.520 1.00 70.20 ATOM 232 HN GLN 16 11.952 -20.299 16.605 1.00 37.53 ATOM 233 CA GLN 16 10.432 -19.697 17.962 1.00 71.21 ATOM 234 HA GLN 16 10.379 -18.665 18.282 1.00 63.31 ATOM 235 CB GLN 16 9.449 -19.904 16.808 1.00 31.34 ATOM 236 HB1 GLN 16 9.710 -19.228 16.007 1.00 37.53 ATOM 237 HB2 GLN 16 8.450 -19.667 17.153 1.00 52.30 ATOM 238 CG GLN 16 9.452 -21.319 16.253 1.00 32.42 ATOM 239 HG1 GLN 16 9.351 -22.031 17.056 1.00 37.53 ATOM 240 HG2 GLN 16 10.377 -21.482 15.744 1.00 43.00 ATOM 241 CD GLN 16 8.326 -21.562 15.267 1.00 44.42 ATOM 242 OE1 GLN 16 7.652 -20.626 14.835 1.00 71.41 ATOM 243 NE2 GLN 16 8.118 -22.822 14.904 1.00 14.13 ATOM 244 HE21 GLN 16 8.689 -23.530 15.280 1.00 25.51 ATOM 245 HE22 GLN 16 7.394 -22.999 14.267 1.00 63.33 ATOM 246 C GLN 16 10.053 -20.594 19.136 1.00 13.40 ATOM 247 O GLN 16 9.223 -20.227 19.969 1.00 0.10 ATOM 248 N THR 17 10.665 -21.772 19.197 1.00 44.12 ATOM 249 HN THR 17 11.303 -22.031 18.494 1.00 37.53 ATOM 250 CA THR 17 10.391 -22.722 20.268 1.00 41.34 ATOM 251 HA THR 17 9.322 -22.899 20.300 1.00 11.51 ATOM 252 CB THR 17 11.092 -24.070 20.016 1.00 73.23 ATOM 253 HB THR 17 12.157 -23.901 19.947 1.00 64.03 ATOM 254 OG1 THR 17 10.630 -24.640 18.786 1.00 40.23 ATOM 255 HG1 THR 17 11.296 -25.237 18.436 1.00 15.32 ATOM 256 CG2 THR 17 10.829 -25.038 21.159 1.00 31.51 ATOM 257 HG21 THR 17 11.448 -24.783 22.006 1.00 10.44 ATOM 258 HG22 THR 17 11.071 -26.031 20.827 1.00 22.14 ATOM 259 HG23 THR 17 9.786 -25.004 21.447 1.00 74.04 ATOM 260 C THR 17 10.840 -22.173 21.617 1.00 31.23 ATOM 261 O THR 17 10.116 -22.267 22.609 1.00 52.45 ATOM 262 N VAL 18 12.039 -21.600 21.649 1.00 53.11 ATOM 263 HN VAL 18 12.559 -21.534 20.816 1.00 37.53 ATOM 264 CA VAL 18 12.583 -21.034 22.877 1.00 24.24 ATOM 265 HA VAL 18 12.680 -21.834 23.601 1.00 63.22 ATOM 266 CB VAL 18 13.976 -20.420 22.643 1.00 41.40 ATOM 267 HB VAL 18 13.882 -19.618 21.923 1.00 75.14 ATOM 268 CG1 VAL 18 14.527 -19.836 23.935 1.00 31.23 ATOM 269 HG11 VAL 18 15.554 -19.528 23.786 1.00 61.13 ATOM 270 HG12 VAL 18 14.491 -20.579 24.720 1.00 55.13 ATOM 271 HG13 VAL 18 13.945 -18.975 24.228 1.00 34.52 ATOM 272 CG2 VAL 18 14.927 -21.459 22.070 1.00 62.23 ATOM 273 HG21 VAL 18 15.724 -20.955 21.545 1.00 71.04 ATOM 274 HG22 VAL 18 14.424 -22.108 21.399 1.00 60.52 ATOM 275 HG23 VAL 18 15.356 -22.047 22.869 1.00 24.43 ATOM 276 C VAL 18 11.658 -19.966 23.448 1.00 11.40 ATOM 277 O VAL 18 11.233 -20.047 24.601 1.00 1.21 ATOM 278 N THR 19 11.347 -18.962 22.633 1.00 65.54 ATOM 279 HN THR 19 11.717 -18.952 21.717 1.00 37.53 ATOM 280 CA THR 19 10.472 -17.876 23.056 1.00 65.43 ATOM 281 HA THR 19 10.911 -17.398 23.913 1.00 24.45 ATOM 282 CB THR 19 10.315 -16.818 21.948 1.00 40.22 ATOM 283 HB THR 19 9.869 -17.284 21.080 1.00 62.25 ATOM 284 OG1 THR 19 11.598 -16.295 21.584 1.00 74.54 ATOM 285 HG1 THR 19 12.034 -15.886 22.344 1.00 15.21 ATOM 286 CG2 THR 19 9.412 -15.683 22.408 1.00 72.53 ATOM 287 HG21 THR 19 9.707 -15.350 23.395 1.00 24.11 ATOM 288 HG22 THR 19 8.385 -16.016 22.431 1.00 70.52 ATOM 289 HG23 THR 19 9.500 -14.859 21.715 1.00 11.12 ATOM 290 C THR 19 9.094 -18.400 23.442 1.00 11.12 ATOM 291 O THR 19 8.452 -17.872 24.350 1.00 32.55 ATOM 292 N TRP 20 8.645 -19.439 22.748 1.00 23.42 ATOM 293 HN TRP 20 9.192 -19.811 22.017 1.00 37.53 ATOM 294 CA TRP 20 7.342 -20.035 23.020 1.00 12.42 ATOM 295 HA TRP 20 6.588 -19.277 22.865 1.00 2.23 ATOM 296 CB TRP 20 7.075 -21.191 22.056 1.00 61.33 ATOM 297 HB1 TRP 20 7.893 -21.886 22.100 1.00 37.53 ATOM 298 HB2 TRP 20 6.997 -20.800 21.052 1.00 63.15 ATOM 299 CG TRP 20 5.811 -21.937 22.358 1.00 71.40 ATOM 300 CD1 TRP 20 4.576 -21.400 22.585 1.00 41.35 ATOM 301 HD1 TRP 20 4.361 -20.342 22.572 1.00 40.01 ATOM 302 CD2 TRP 20 5.659 -23.357 22.469 1.00 50.24 ATOM 303 NE1 TRP 20 3.666 -22.399 22.829 1.00 33.43 ATOM 304 HE1 TRP 20 2.714 -22.267 23.019 1.00 51.12 ATOM 305 CE2 TRP 20 4.305 -23.609 22.763 1.00 72.10 ATOM 306 CE3 TRP 20 6.534 -24.439 22.345 1.00 24.05 ATOM 307 HE3 TRP 20 7.580 -24.289 22.120 1.00 40.24 ATOM 308 CZ2 TRP 20 3.809 -24.898 22.937 1.00 71.52 ATOM 309 HZ2 TRP 20 2.769 -25.085 23.162 1.00 70.53 ATOM 310 CZ3 TRP 20 6.041 -25.718 22.519 1.00 73.04 ATOM 311 HZ3 TRP 20 6.703 -26.566 22.428 1.00 55.13 ATOM 312 CH2 TRP 20 4.688 -25.939 22.811 1.00 63.32 ATOM 313 HH2 TRP 20 4.358 -26.941 22.934 1.00 53.10 ATOM 314 C TRP 20 7.259 -20.528 24.460 1.00 15.15 ATOM 315 O TRP 20 6.258 -20.310 25.145 1.00 10.21 ATOM 316 N LEU 21 8.315 -21.193 24.915 1.00 35.23 ATOM 317 HN LEU 21 9.088 -21.342 24.320 1.00 37.53 ATOM 318 CA LEU 21 8.361 -21.718 26.276 1.00 54.41 ATOM 319 HA LEU 21 7.454 -22.277 26.457 1.00 75.33 ATOM 320 CB LEU 21 9.562 -22.650 26.444 1.00 52.22 ATOM 321 HB1 LEU 21 9.581 -22.993 27.471 1.00 37.53 ATOM 322 HB2 LEU 21 10.461 -22.074 26.260 1.00 11.40 ATOM 323 CG LEU 21 9.588 -23.881 25.538 1.00 74.14 ATOM 324 HG LEU 21 9.558 -23.564 24.511 1.00 31.11 ATOM 325 CD1 LEU 21 10.870 -24.672 25.748 1.00 53.44 ATOM 326 HD11 LEU 21 11.723 -24.043 25.535 1.00 33.21 ATOM 327 HD12 LEU 21 10.883 -25.525 25.083 1.00 51.31 ATOM 328 HD13 LEU 21 10.925 -25.015 26.772 1.00 31.33 ATOM 329 CD2 LEU 21 8.370 -24.758 25.794 1.00 4.41 ATOM 330 HD21 LEU 21 8.342 -25.051 26.835 1.00 14.34 ATOM 331 HD22 LEU 21 8.424 -25.644 25.175 1.00 23.30 ATOM 332 HD23 LEU 21 7.471 -24.214 25.549 1.00 23.54 ATOM 333 C LEU 21 8.436 -20.584 27.294 1.00 72.20 ATOM 334 O LEU 21 8.022 -20.741 28.443 1.00 3.22 ATOM 335 N ILE 22 8.964 -19.443 26.864 1.00 71.43 ATOM 336 HN ILE 22 9.301 -19.375 25.946 1.00 37.53 ATOM 337 CA ILE 22 9.090 -18.283 27.737 1.00 73.11 ATOM 338 HA ILE 22 9.398 -18.621 28.716 1.00 32.43 ATOM 339 CB ILE 22 10.147 -17.295 27.211 1.00 3.20 ATOM 340 HB ILE 22 9.829 -16.948 26.236 1.00 32.42 ATOM 341 CG1 ILE 22 11.505 -17.988 27.081 1.00 70.41 ATOM 342 HG11 ILE 22 11.382 -18.965 26.648 1.00 37.53 ATOM 343 HG12 ILE 22 11.950 -18.100 28.060 1.00 53.01 ATOM 344 CG2 ILE 22 10.249 -16.088 28.132 1.00 30.20 ATOM 345 HG21 ILE 22 11.041 -15.437 27.795 1.00 12.43 ATOM 346 HG22 ILE 22 10.463 -16.414 29.140 1.00 61.12 ATOM 347 HG23 ILE 22 9.322 -15.536 28.124 1.00 3.22 ATOM 348 CD1 ILE 22 12.489 -17.233 26.216 1.00 42.41 ATOM 349 HD11 ILE 22 13.489 -17.547 26.466 1.00 34.50 ATOM 350 HD12 ILE 22 12.400 -16.169 26.375 1.00 5.34 ATOM 351 HD13 ILE 22 12.305 -17.457 25.184 1.00 21.31 ATOM 352 C ILE 22 7.757 -17.556 27.880 1.00 41.32 ATOM 353 O ILE 22 7.287 -17.309 28.991 1.00 21.22 ATOM 354 N THR 23 7.150 -17.215 26.747 1.00 63.20 ATOM 355 HN THR 23 7.585 -17.425 25.889 1.00 37.53 ATOM 356 CA THR 23 5.871 -16.517 26.745 1.00 2.31 ATOM 357 HA THR 23 6.012 -15.554 27.216 1.00 64.51 ATOM 358 CB THR 23 5.363 -16.280 25.311 1.00 54.25 ATOM 359 HB THR 23 6.102 -15.702 24.774 1.00 14.52 ATOM 360 OG1 THR 23 4.130 -15.552 25.342 1.00 51.22 ATOM 361 HG1 THR 23 4.311 -14.616 25.461 1.00 74.21 ATOM 362 CG2 THR 23 5.159 -17.601 24.584 1.00 41.54 ATOM 363 HG21 THR 23 4.399 -18.189 25.072 1.00 14.42 ATOM 364 HG22 THR 23 6.076 -18.135 24.569 1.00 21.44 ATOM 365 HG23 THR 23 4.852 -17.400 23.568 1.00 74.41 ATOM 366 C THR 23 4.818 -17.297 27.523 1.00 13.53 ATOM 367 O THR 23 3.911 -16.712 28.118 1.00 70.01 ATOM 368 N LEU 24 4.943 -18.619 27.517 1.00 73.03 ATOM 369 HN LEU 24 5.669 -19.040 27.003 1.00 37.53 ATOM 370 CA LEU 24 4.001 -19.480 28.223 1.00 32.15 ATOM 371 HA LEU 24 2.995 -19.157 27.979 1.00 41.44 ATOM 372 CB LEU 24 4.179 -20.934 27.782 1.00 13.04 ATOM 373 HB1 LEU 24 3.878 -21.589 28.595 1.00 37.53 ATOM 374 HB2 LEU 24 5.237 -21.096 27.608 1.00 41.13 ATOM 375 CG LEU 24 3.411 -21.354 26.528 1.00 11.34 ATOM 376 HG LEU 24 3.460 -20.560 25.795 1.00 74.22 ATOM 377 CD1 LEU 24 4.037 -22.594 25.909 1.00 11.24 ATOM 378 HD11 LEU 24 4.758 -22.291 25.168 1.00 42.44 ATOM 379 HD12 LEU 24 3.286 -23.218 25.442 1.00 51.34 ATOM 380 HD13 LEU 24 4.542 -23.149 26.672 1.00 62.15 ATOM 381 CD2 LEU 24 1.946 -21.601 26.858 1.00 60.31 ATOM 382 HD21 LEU 24 1.412 -21.874 25.958 1.00 63.31 ATOM 383 HD22 LEU 24 1.511 -20.701 27.270 1.00 12.14 ATOM 384 HD23 LEU 24 1.864 -22.402 27.580 1.00 14.23 ATOM 385 C LEU 24 4.188 -19.368 29.733 1.00 31.21 ATOM 386 O LEU 24 3.259 -19.606 30.503 1.00 14.34 ATOM 387 N GLY 25 5.397 -19.002 30.149 1.00 33.51 ATOM 388 HN GLY 25 6.119 -18.856 29.512 1.00 37.53 ATOM 389 CA GLY 25 5.683 -18.863 31.565 1.00 63.21 ATOM 390 HA1 GLY 25 4.813 -18.475 32.082 1.00 37.53 ATOM 391 HA2 GLY 25 6.494 -18.159 31.682 1.00 42.05 ATOM 392 C GLY 25 6.089 -20.175 32.206 1.00 23.32 ATOM 393 O GLY 25 5.706 -20.466 33.339 1.00 13.13 ATOM 394 N VAL 26 6.867 -20.972 31.479 1.00 11.25 ATOM 395 HN VAL 26 7.146 -20.685 30.585 1.00 37.53 ATOM 396 CA VAL 26 7.325 -22.261 31.984 1.00 52.22 ATOM 397 HA VAL 26 6.988 -22.391 33.008 1.00 1.43 ATOM 398 CB VAL 26 6.765 -23.423 31.143 1.00 63.54 ATOM 399 HB VAL 26 7.269 -24.339 31.426 1.00 44.12 ATOM 400 CG1 VAL 26 5.281 -23.613 31.414 1.00 54.00 ATOM 401 HG11 VAL 26 4.913 -24.442 30.840 1.00 13.00 ATOM 402 HG12 VAL 26 4.744 -22.717 31.137 1.00 33.04 ATOM 403 HG13 VAL 26 5.128 -23.812 32.466 1.00 53.02 ATOM 404 CG2 VAL 26 7.018 -23.180 29.663 1.00 43.44 ATOM 405 HG21 VAL 26 6.475 -22.307 29.338 1.00 42.12 ATOM 406 HG22 VAL 26 6.672 -24.037 29.101 1.00 5.31 ATOM 407 HG23 VAL 26 8.069 -23.047 29.475 1.00 42.44 ATOM 408 C VAL 26 8.847 -22.339 31.990 1.00 23.21 ATOM 409 O VAL 26 9.445 -22.957 32.872 1.00 34.15 ATOM 410 N LEU 27 9.470 -21.709 31.001 1.00 45.33 ATOM 411 HN LEU 27 8.961 -21.248 30.303 1.00 37.53 ATOM 412 CA LEU 27 10.925 -21.706 30.892 1.00 42.14 ATOM 413 HA LEU 27 11.344 -22.243 31.736 1.00 4.11 ATOM 414 CB LEU 27 11.362 -22.423 29.613 1.00 32.20 ATOM 415 HB1 LEU 27 10.824 -21.968 28.797 1.00 37.53 ATOM 416 HB2 LEU 27 11.067 -23.441 29.679 1.00 61.53 ATOM 417 CG LEU 27 12.853 -22.356 29.282 1.00 60.24 ATOM 418 HG LEU 27 13.157 -21.325 29.186 1.00 44.01 ATOM 419 CD1 LEU 27 13.676 -22.985 30.395 1.00 61.31 ATOM 420 HD11 LEU 27 13.397 -24.020 30.512 1.00 31.45 ATOM 421 HD12 LEU 27 13.504 -22.458 31.322 1.00 32.51 ATOM 422 HD13 LEU 27 14.727 -22.925 30.146 1.00 42.25 ATOM 423 CD2 LEU 27 13.136 -23.043 27.953 1.00 34.14 ATOM 424 HD21 LEU 27 12.857 -24.086 28.014 1.00 42.42 ATOM 425 HD22 LEU 27 14.190 -22.966 27.722 1.00 40.11 ATOM 426 HD23 LEU 27 12.565 -22.565 27.169 1.00 1.14 ATOM 427 C LEU 27 11.469 -20.281 30.900 1.00 41.12 ATOM 428 O LEU 27 11.138 -19.475 30.031 1.00 72.54 ATOM 429 N GLU 28 12.307 -19.978 31.886 1.00 22.44 ATOM 430 HN GLU 28 12.534 -20.666 32.557 1.00 37.53 ATOM 431 CA GLU 28 12.898 -18.651 32.006 1.00 51.40 ATOM 432 HA GLU 28 12.102 -17.953 32.225 1.00 65.51 ATOM 433 CB GLU 28 13.911 -18.620 33.152 1.00 63.20 ATOM 434 HB1 GLU 28 13.461 -19.079 34.022 1.00 37.53 ATOM 435 HB2 GLU 28 14.145 -17.590 33.380 1.00 34.32 ATOM 436 CG GLU 28 15.209 -19.345 32.837 1.00 72.45 ATOM 437 HG1 GLU 28 15.763 -18.774 32.105 1.00 37.53 ATOM 438 HG2 GLU 28 14.980 -20.321 32.432 1.00 64.32 ATOM 439 CD GLU 28 16.086 -19.530 34.059 1.00 4.53 ATOM 440 OE1 GLU 28 15.614 -20.135 35.044 1.00 52.12 ATOM 441 OE2 GLU 28 17.247 -19.068 34.031 1.00 14.10 ATOM 442 C GLU 28 13.575 -18.237 30.702 1.00 21.15 ATOM 443 O GLU 28 13.950 -19.082 29.890 1.00 60.30 ATOM 444 N SER 29 13.728 -16.931 30.510 1.00 14.32 ATOM 445 HN SER 29 13.427 -16.302 31.209 1.00 37.53 ATOM 446 CA SER 29 14.355 -16.404 29.304 1.00 2.32 ATOM 447 HA SER 29 14.103 -17.063 28.485 1.00 5.23 ATOM 448 CB SER 29 13.814 -15.008 28.990 1.00 14.32 ATOM 449 HB1 SER 29 13.265 -14.619 29.838 1.00 37.53 ATOM 450 HB2 SER 29 13.156 -15.069 28.138 1.00 53.21 ATOM 451 OG SER 29 14.865 -14.111 28.678 1.00 44.12 ATOM 452 HG SER 29 15.167 -13.672 29.478 1.00 53.43 ATOM 453 C SER 29 15.872 -16.350 29.460 1.00 11.22 ATOM 454 O SER 29 16.409 -16.368 30.568 1.00 33.01 ATOM 455 N PRO 30 16.581 -16.282 28.324 1.00 52.15 ATOM 456 CA PRO 30 18.045 -16.223 28.306 1.00 24.43 ATOM 457 HA PRO 30 18.482 -17.034 28.871 1.00 5.25 ATOM 458 CB PRO 30 18.389 -16.387 26.824 1.00 65.23 ATOM 459 HB1 PRO 30 18.564 -17.428 26.629 1.00 37.53 ATOM 460 HB2 PRO 30 19.268 -15.818 26.551 1.00 70.12 ATOM 461 CG PRO 30 17.182 -15.902 26.099 1.00 51.23 ATOM 462 HG1 PRO 30 17.099 -16.389 25.145 1.00 37.53 ATOM 463 HG2 PRO 30 17.240 -14.832 25.968 1.00 55.51 ATOM 464 CD PRO 30 16.007 -16.256 26.968 1.00 71.34 ATOM 465 HD1 PRO 30 15.624 -17.228 26.696 1.00 37.53 ATOM 466 HD2 PRO 30 15.244 -15.511 26.863 1.00 31.34 ATOM 467 C PRO 30 18.579 -14.896 28.833 1.00 12.24 ATOM 468 O PRO 30 17.827 -14.080 29.367 1.00 34.33 ATOM 469 N LYS 31 19.882 -14.684 28.680 1.00 34.10 ATOM 470 HN LYS 31 20.447 -15.388 28.288 1.00 37.53 ATOM 471 CA LYS 31 20.517 -13.454 29.139 1.00 74.32 ATOM 472 HA LYS 31 19.794 -12.856 29.683 1.00 1.01 ATOM 473 CB LYS 31 21.687 -13.777 30.071 1.00 72.34 ATOM 474 HB1 LYS 31 22.350 -12.920 30.119 1.00 37.53 ATOM 475 HB2 LYS 31 22.243 -14.613 29.667 1.00 44.31 ATOM 476 CG LYS 31 21.261 -14.099 31.493 1.00 41.42 ATOM 477 HG1 LYS 31 20.385 -13.514 31.746 1.00 37.53 ATOM 478 HG2 LYS 31 22.062 -13.827 32.163 1.00 44.32 ATOM 479 CD LYS 31 20.926 -15.572 31.655 1.00 1.32 ATOM 480 HD1 LYS 31 20.454 -15.951 30.761 1.00 37.53 ATOM 481 HD2 LYS 31 20.245 -15.678 32.486 1.00 30.33 ATOM 482 CE LYS 31 22.170 -16.398 31.945 1.00 40.42 ATOM 483 HE1 LYS 31 22.943 -16.148 31.230 1.00 37.53 ATOM 484 HE2 LYS 31 21.918 -17.443 31.845 1.00 35.10 ATOM 485 NZ LYS 31 22.685 -16.161 33.322 1.00 52.11 ATOM 486 HZ1 LYS 31 23.011 -15.180 33.426 1.00 4.24 ATOM 487 HZ2 LYS 31 23.485 -16.797 33.514 1.00 34.33 ATOM 488 HZ3 LYS 31 21.940 -16.345 34.027 1.00 44.51 ATOM 489 C LYS 31 21.008 -12.622 27.958 1.00 33.53 ATOM 490 O LYS 31 21.102 -11.398 28.045 1.00 41.12 ATOM 491 N LYS 32 21.318 -13.295 26.855 1.00 0.30 ATOM 492 HN LYS 32 21.268 -14.274 26.841 1.00 37.53 ATOM 493 CA LYS 32 21.797 -12.618 25.655 1.00 33.24 ATOM 494 HA LYS 32 21.418 -11.605 25.646 1.00 33.25 ATOM 495 CB LYS 32 23.326 -12.578 25.644 1.00 65.24 ATOM 496 HB1 LYS 32 23.663 -11.993 24.799 1.00 37.53 ATOM 497 HB2 LYS 32 23.702 -13.588 25.540 1.00 41.22 ATOM 498 CG LYS 32 23.929 -11.989 26.907 1.00 23.01 ATOM 499 HG1 LYS 32 24.999 -12.138 26.865 1.00 37.53 ATOM 500 HG2 LYS 32 23.545 -12.503 27.771 1.00 13.33 ATOM 501 CD LYS 32 23.662 -10.497 27.009 1.00 2.30 ATOM 502 HD1 LYS 32 22.698 -10.253 26.589 1.00 37.53 ATOM 503 HD2 LYS 32 24.429 -9.972 26.459 1.00 31.01 ATOM 504 CE LYS 32 23.689 -10.023 28.454 1.00 33.12 ATOM 505 HE1 LYS 32 23.228 -10.764 29.094 1.00 37.53 ATOM 506 HE2 LYS 32 23.129 -9.102 28.521 1.00 42.35 ATOM 507 NZ LYS 32 25.077 -9.770 28.930 1.00 41.15 ATOM 508 HZ1 LYS 32 25.059 -9.447 29.919 1.00 34.41 ATOM 509 HZ2 LYS 32 25.531 -9.035 28.349 1.00 11.30 ATOM 510 HZ3 LYS 32 25.644 -10.642 28.874 1.00 74.41 ATOM 511 C LYS 32 21.286 -13.314 24.398 1.00 61.22 ATOM 512 O LYS 32 20.560 -14.306 24.475 1.00 12.24 ATOM 513 N THR 33 21.671 -12.790 23.239 1.00 44.35 ATOM 514 HN THR 33 22.236 -11.983 23.234 1.00 37.53 ATOM 515 CA THR 33 21.253 -13.361 21.965 1.00 40.34 ATOM 516 HA THR 33 20.167 -13.328 21.937 1.00 14.52 ATOM 517 CB THR 33 21.798 -12.545 20.777 1.00 3.12 ATOM 518 HB THR 33 22.814 -12.857 20.562 1.00 1.34 ATOM 519 OG1 THR 33 21.814 -11.151 21.106 1.00 20.43 ATOM 520 HG1 THR 33 22.471 -10.699 20.569 1.00 52.04 ATOM 521 CG2 THR 33 20.952 -12.768 19.533 1.00 14.12 ATOM 522 HG21 THR 33 20.966 -13.816 19.268 1.00 21.22 ATOM 523 HG22 THR 33 21.355 -12.186 18.717 1.00 1.40 ATOM 524 HG23 THR 33 19.935 -12.459 19.726 1.00 4.50 ATOM 525 C THR 33 21.719 -14.806 21.830 1.00 1.23 ATOM 526 O THR 33 22.880 -15.120 22.093 1.00 64.11 ATOM 527 N ILE 34 20.807 -15.681 21.420 1.00 45.13 ATOM 528 HN ILE 34 19.893 -15.374 21.213 1.00 37.53 ATOM 529 CA ILE 34 21.127 -17.093 21.249 1.00 51.21 ATOM 530 HA ILE 34 22.038 -17.316 21.802 1.00 75.43 ATOM 531 CB ILE 34 20.013 -17.994 21.813 1.00 73.21 ATOM 532 HB ILE 34 19.109 -17.812 21.245 1.00 61.31 ATOM 533 CG1 ILE 34 19.755 -17.663 23.284 1.00 34.03 ATOM 534 HG11 ILE 34 19.664 -16.592 23.409 1.00 37.53 ATOM 535 HG12 ILE 34 20.580 -18.016 23.887 1.00 32.11 ATOM 536 CG2 ILE 34 20.385 -19.460 21.652 1.00 64.42 ATOM 537 HG21 ILE 34 21.326 -19.653 22.148 1.00 3.04 ATOM 538 HG22 ILE 34 20.474 -19.708 20.606 1.00 4.14 ATOM 539 HG23 ILE 34 19.622 -20.086 22.087 1.00 70.31 ATOM 540 CD1 ILE 34 18.486 -18.281 23.829 1.00 20.01 ATOM 541 HD11 ILE 34 18.376 -19.295 23.479 1.00 51.05 ATOM 542 HD12 ILE 34 17.637 -17.701 23.505 1.00 63.05 ATOM 543 HD13 ILE 34 18.526 -18.287 24.898 1.00 4.14 ATOM 544 C ILE 34 21.345 -17.433 19.779 1.00 62.14 ATOM 545 O ILE 34 20.397 -17.487 18.996 1.00 52.12 ATOM 546 N SER 35 22.601 -17.664 19.411 1.00 44.15 ATOM 547 HN SER 35 23.320 -17.623 20.086 1.00 37.53 ATOM 548 CA SER 35 22.945 -17.998 18.033 1.00 4.43 ATOM 549 HA SER 35 22.288 -17.448 17.369 1.00 33.12 ATOM 550 CB SER 35 24.389 -17.591 17.733 1.00 25.33 ATOM 551 HB1 SER 35 24.616 -16.658 18.231 1.00 37.53 ATOM 552 HB2 SER 35 24.509 -17.466 16.667 1.00 61.13 ATOM 553 OG SER 35 25.301 -18.581 18.178 1.00 73.45 ATOM 554 HG SER 35 26.199 -18.260 18.072 1.00 63.22 ATOM 555 C SER 35 22.760 -19.490 17.773 1.00 5.44 ATOM 556 O SER 35 22.526 -19.909 16.640 1.00 61.11 ATOM 557 N ASP 36 22.868 -20.286 18.832 1.00 54.54 ATOM 558 HN ASP 36 23.045 -19.904 19.719 1.00 37.53 ATOM 559 CA ASP 36 22.711 -21.731 18.720 1.00 65.12 ATOM 560 HA ASP 36 22.462 -21.991 17.700 1.00 73.45 ATOM 561 CB ASP 36 24.024 -22.436 19.065 1.00 45.41 ATOM 562 HB1 ASP 36 24.685 -22.373 18.212 1.00 37.53 ATOM 563 HB2 ASP 36 23.839 -23.480 19.286 1.00 1.14 ATOM 564 CG ASP 36 24.723 -21.808 20.255 1.00 40.31 ATOM 565 OD1 ASP 36 24.125 -21.787 21.351 1.00 73.44 ATOM 566 OD2 ASP 36 25.868 -21.336 20.090 1.00 13.23 ATOM 567 C ASP 36 21.597 -22.230 19.634 1.00 12.43 ATOM 568 O ASP 36 21.841 -22.847 20.671 1.00 14.03 ATOM 569 N PRO 37 20.343 -21.955 19.244 1.00 63.44 ATOM 570 CA PRO 37 19.166 -22.366 20.014 1.00 21.54 ATOM 571 HA PRO 37 19.228 -22.034 21.041 1.00 30.44 ATOM 572 CB PRO 37 18.013 -21.647 19.311 1.00 13.53 ATOM 573 HB1 PRO 37 17.828 -20.705 19.804 1.00 37.53 ATOM 574 HB2 PRO 37 17.112 -22.248 19.333 1.00 41.25 ATOM 575 CG PRO 37 18.493 -21.433 17.917 1.00 1.34 ATOM 576 HG1 PRO 37 18.020 -20.559 17.496 1.00 37.53 ATOM 577 HG2 PRO 37 18.277 -22.304 17.316 1.00 61.21 ATOM 578 CD PRO 37 19.979 -21.224 18.019 1.00 53.41 ATOM 579 HD1 PRO 37 20.196 -20.173 18.117 1.00 37.53 ATOM 580 HD2 PRO 37 20.470 -21.637 17.152 1.00 3.32 ATOM 581 C PRO 37 18.950 -23.876 19.983 1.00 44.34 ATOM 582 O PRO 37 18.210 -24.423 20.799 1.00 4.23 ATOM 583 N GLU 38 19.602 -24.542 19.035 1.00 71.23 ATOM 584 HN GLU 38 20.152 -24.059 18.381 1.00 37.53 ATOM 585 CA GLU 38 19.480 -25.989 18.898 1.00 51.23 ATOM 586 HA GLU 38 18.430 -26.230 18.811 1.00 53.02 ATOM 587 CB GLU 38 20.208 -26.468 17.640 1.00 3.42 ATOM 588 HB1 GLU 38 20.257 -27.551 17.657 1.00 37.53 ATOM 589 HB2 GLU 38 21.213 -26.072 17.649 1.00 44.21 ATOM 590 CG GLU 38 19.539 -26.035 16.347 1.00 55.22 ATOM 591 HG1 GLU 38 19.773 -24.996 16.168 1.00 37.53 ATOM 592 HG2 GLU 38 18.467 -26.150 16.444 1.00 4.21 ATOM 593 CD GLU 38 19.997 -26.848 15.152 1.00 71.20 ATOM 594 OE1 GLU 38 20.136 -28.081 15.291 1.00 25.21 ATOM 595 OE2 GLU 38 20.216 -26.251 14.077 1.00 14.22 ATOM 596 C GLU 38 20.040 -26.701 20.126 1.00 43.24 ATOM 597 O GLU 38 19.488 -27.700 20.583 1.00 31.31 ATOM 598 N GLY 39 21.143 -26.178 20.654 1.00 13.21 ATOM 599 HN GLY 39 21.563 -25.387 20.249 1.00 37.53 ATOM 600 CA GLY 39 21.761 -26.776 21.823 1.00 14.21 ATOM 601 HA1 GLY 39 22.816 -26.546 21.807 1.00 37.53 ATOM 602 HA2 GLY 39 21.644 -27.853 21.795 1.00 5.34 ATOM 603 C GLY 39 21.176 -26.252 23.120 1.00 40.12 ATOM 604 O GLY 39 20.932 -27.017 24.053 1.00 11.11 ATOM 605 N PHE 40 20.952 -24.943 23.180 1.00 22.41 ATOM 606 HN PHE 40 21.178 -24.376 22.404 1.00 37.53 ATOM 607 CA PHE 40 20.395 -24.317 24.373 1.00 22.25 ATOM 608 HA PHE 40 21.098 -24.454 25.182 1.00 33.44 ATOM 609 CB PHE 40 20.194 -22.818 24.142 1.00 24.12 ATOM 610 HB1 PHE 40 19.647 -22.678 23.218 1.00 37.53 ATOM 611 HB2 PHE 40 21.164 -22.347 24.045 1.00 25.41 ATOM 612 CG PHE 40 19.445 -22.136 25.251 1.00 51.45 ATOM 613 CD1 PHE 40 20.107 -21.700 26.387 1.00 44.22 ATOM 614 HD1 PHE 40 21.174 -21.854 26.476 1.00 50.35 ATOM 615 CD2 PHE 40 18.078 -21.929 25.156 1.00 61.30 ATOM 616 HD2 PHE 40 17.547 -22.264 24.275 1.00 61.22 ATOM 617 CE1 PHE 40 19.420 -21.072 27.408 1.00 31.34 ATOM 618 HE1 PHE 40 19.948 -20.737 28.289 1.00 53.24 ATOM 619 CE2 PHE 40 17.385 -21.302 26.174 1.00 3.13 ATOM 620 HE2 PHE 40 16.320 -21.148 26.088 1.00 21.01 ATOM 621 CZ PHE 40 18.057 -20.872 27.302 1.00 64.05 ATOM 622 HZ PHE 40 17.518 -20.381 28.099 1.00 20.34 ATOM 623 C PHE 40 19.069 -24.966 24.759 1.00 10.23 ATOM 624 O PHE 40 18.674 -24.952 25.926 1.00 41.10 ATOM 625 N LEU 41 18.385 -25.533 23.772 1.00 43.14 ATOM 626 HN LEU 41 18.715 -25.481 22.848 1.00 37.53 ATOM 627 CA LEU 41 17.103 -26.187 24.006 1.00 54.11 ATOM 628 HA LEU 41 16.588 -25.652 24.782 1.00 64.24 ATOM 629 CB LEU 41 16.255 -26.162 22.733 1.00 61.33 ATOM 630 HB1 LEU 41 15.513 -26.953 22.784 1.00 37.53 ATOM 631 HB2 LEU 41 16.916 -26.373 21.904 1.00 62.03 ATOM 632 CG LEU 41 15.529 -24.850 22.435 1.00 43.22 ATOM 633 HG LEU 41 16.246 -24.041 22.440 1.00 23.25 ATOM 634 CD1 LEU 41 14.885 -24.897 21.058 1.00 13.22 ATOM 635 HD11 LEU 41 14.320 -24.005 20.886 1.00 41.52 ATOM 636 HD12 LEU 41 14.224 -25.750 20.995 1.00 11.40 ATOM 637 HD13 LEU 41 15.654 -24.987 20.311 1.00 22.01 ATOM 638 CD2 LEU 41 14.486 -24.562 23.505 1.00 61.43 ATOM 639 HD21 LEU 41 14.976 -24.381 24.448 1.00 43.31 ATOM 640 HD22 LEU 41 13.820 -25.408 23.604 1.00 63.52 ATOM 641 HD23 LEU 41 13.909 -23.690 23.233 1.00 33.15 ATOM 642 C LEU 41 17.302 -27.626 24.470 1.00 71.20 ATOM 643 O LEU 41 16.619 -28.094 25.380 1.00 31.43 ATOM 644 N GLN 42 18.243 -28.321 23.839 1.00 1.01 ATOM 645 HN GLN 42 18.749 -27.899 23.104 1.00 37.53 ATOM 646 CA GLN 42 18.533 -29.706 24.189 1.00 31.50 ATOM 647 HA GLN 42 17.666 -30.301 23.939 1.00 61.45 ATOM 648 CB GLN 42 19.732 -30.217 23.388 1.00 53.13 ATOM 649 HB1 GLN 42 20.602 -29.619 23.629 1.00 37.53 ATOM 650 HB2 GLN 42 19.512 -30.096 22.336 1.00 4.14 ATOM 651 CG GLN 42 20.048 -31.683 23.633 1.00 31.45 ATOM 652 HG1 GLN 42 20.483 -32.089 22.731 1.00 37.53 ATOM 653 HG2 GLN 42 19.132 -32.219 23.851 1.00 65.32 ATOM 654 CD GLN 42 21.033 -31.886 24.768 1.00 13.21 ATOM 655 OE1 GLN 42 22.093 -31.261 24.804 1.00 62.11 ATOM 656 NE2 GLN 42 20.687 -32.762 25.704 1.00 75.45 ATOM 657 HE21 GLN 42 19.827 -33.234 25.628 1.00 74.11 ATOM 658 HE22 GLN 42 21.312 -32.905 26.445 1.00 45.53 ATOM 659 C GLN 42 18.809 -29.844 25.683 1.00 73.54 ATOM 660 O GLN 42 18.252 -30.717 26.348 1.00 1.14 ATOM 661 N ALA 43 19.672 -28.978 26.202 1.00 12.25 ATOM 662 HN ALA 43 20.087 -28.299 25.618 1.00 37.53 ATOM 663 CA ALA 43 20.020 -29.002 27.618 1.00 61.24 ATOM 664 HA ALA 43 20.287 -30.014 27.886 1.00 14.03 ATOM 665 CB ALA 43 21.235 -28.123 27.877 1.00 32.44 ATOM 666 HB1 ALA 43 21.520 -28.193 28.918 1.00 34.44 ATOM 667 HB2 ALA 43 21.000 -27.096 27.636 1.00 63.44 ATOM 668 HB3 ALA 43 22.055 -28.456 27.259 1.00 64.13 ATOM 669 C ALA 43 18.845 -28.553 28.480 1.00 45.31 ATOM 670 O ALA 43 18.509 -29.198 29.473 1.00 43.11 ATOM 671 N SER 44 18.225 -27.442 28.095 1.00 63.05 ATOM 672 HN SER 44 18.543 -26.964 27.291 1.00 37.53 ATOM 673 CA SER 44 17.091 -26.904 28.835 1.00 14.35 ATOM 674 HA SER 44 17.421 -26.680 29.840 1.00 22.15 ATOM 675 CB SER 44 16.593 -25.613 28.181 1.00 31.52 ATOM 676 HB1 SER 44 17.430 -24.967 27.975 1.00 37.53 ATOM 677 HB2 SER 44 15.913 -25.113 28.855 1.00 15.13 ATOM 678 OG SER 44 15.909 -25.887 26.971 1.00 52.45 ATOM 679 HG SER 44 15.444 -25.099 26.680 1.00 42.02 ATOM 680 C SER 44 15.956 -27.922 28.907 1.00 42.51 ATOM 681 O SER 44 15.132 -27.887 29.821 1.00 13.33 ATOM 682 N LEU 45 15.921 -28.827 27.936 1.00 72.32 ATOM 683 HN LEU 45 16.574 -28.796 27.203 1.00 37.53 ATOM 684 CA LEU 45 14.888 -29.856 27.887 1.00 60.43 ATOM 685 HA LEU 45 14.029 -29.525 28.460 1.00 72.22 ATOM 686 CB LEU 45 14.439 -30.088 26.443 1.00 50.41 ATOM 687 HB1 LEU 45 13.712 -30.892 26.427 1.00 37.53 ATOM 688 HB2 LEU 45 15.310 -30.410 25.888 1.00 31.11 ATOM 689 CG LEU 45 13.846 -28.876 25.722 1.00 31.42 ATOM 690 HG LEU 45 14.394 -27.987 25.994 1.00 11.32 ATOM 691 CD1 LEU 45 13.950 -29.048 24.215 1.00 60.42 ATOM 692 HD11 LEU 45 14.974 -29.259 23.938 1.00 42.22 ATOM 693 HD12 LEU 45 13.631 -28.138 23.728 1.00 24.35 ATOM 694 HD13 LEU 45 13.318 -29.861 23.901 1.00 52.22 ATOM 695 CD2 LEU 45 12.397 -28.665 26.138 1.00 45.10 ATOM 696 HD21 LEU 45 12.345 -28.517 27.208 1.00 32.40 ATOM 697 HD22 LEU 45 11.809 -29.531 25.868 1.00 1.43 ATOM 698 HD23 LEU 45 12.000 -27.792 25.639 1.00 73.13 ATOM 699 C LEU 45 15.393 -31.163 28.490 1.00 74.41 ATOM 700 O LEU 45 14.611 -32.072 28.774 1.00 42.52 ATOM 701 N LYS 46 16.704 -31.251 28.685 1.00 31.43 ATOM 702 HN LYS 46 17.283 -30.526 28.404 1.00 37.53 ATOM 703 CA LYS 46 17.314 -32.445 29.258 1.00 22.22 ATOM 704 HA LYS 46 17.197 -33.247 28.541 1.00 44.03 ATOM 705 CB LYS 46 18.803 -32.207 29.519 1.00 42.20 ATOM 706 HB1 LYS 46 18.936 -31.751 30.486 1.00 37.53 ATOM 707 HB2 LYS 46 19.177 -31.529 28.769 1.00 12.55 ATOM 708 CG LYS 46 19.644 -33.470 29.442 1.00 11.53 ATOM 709 HG1 LYS 46 19.791 -33.724 28.402 1.00 37.53 ATOM 710 HG2 LYS 46 19.121 -34.270 29.932 1.00 44.32 ATOM 711 CD LYS 46 21.003 -33.275 30.094 1.00 33.21 ATOM 712 HD1 LYS 46 21.371 -32.276 29.891 1.00 37.53 ATOM 713 HD2 LYS 46 21.689 -33.996 29.672 1.00 20.10 ATOM 714 CE LYS 46 20.937 -33.497 31.597 1.00 34.23 ATOM 715 HE1 LYS 46 21.852 -33.976 31.912 1.00 37.53 ATOM 716 HE2 LYS 46 20.102 -34.132 31.843 1.00 64.52 ATOM 717 NZ LYS 46 20.791 -32.215 32.341 1.00 21.54 ATOM 718 HZ1 LYS 46 21.035 -32.362 33.341 1.00 52.42 ATOM 719 HZ2 LYS 46 19.812 -31.878 32.292 1.00 4.54 ATOM 720 HZ3 LYS 46 21.422 -31.482 31.951 1.00 64.51 ATOM 721 C LYS 46 16.617 -32.843 30.555 1.00 25.35 ATOM 722 O LYS 46 16.091 -33.950 30.674 1.00 54.31 ATOM 723 N ASP 47 16.618 -31.935 31.525 1.00 54.35 ATOM 724 HN ASP 47 17.037 -31.062 31.349 1.00 37.53 ATOM 725 CA ASP 47 15.983 -32.190 32.812 1.00 20.44 ATOM 726 HA ASP 47 16.549 -32.948 33.317 1.00 41.31 ATOM 727 CB ASP 47 15.996 -30.925 33.672 1.00 62.14 ATOM 728 HB1 ASP 47 15.769 -31.191 34.694 1.00 37.53 ATOM 729 HB2 ASP 47 15.247 -30.230 33.311 1.00 12.41 ATOM 730 CG ASP 47 17.340 -30.223 33.648 1.00 32.32 ATOM 731 OD1 ASP 47 18.289 -30.738 34.276 1.00 74.34 ATOM 732 OD2 ASP 47 17.442 -29.159 33.003 1.00 4.42 ATOM 733 C ASP 47 14.550 -32.678 32.625 1.00 52.12 ATOM 734 O ASP 47 14.136 -33.668 33.226 1.00 24.23 ATOM 735 N GLY 48 13.795 -31.974 31.786 1.00 3.22 ATOM 736 HN GLY 48 14.166 -31.185 31.330 1.00 37.53 ATOM 737 CA GLY 48 12.416 -32.349 31.535 1.00 22.43 ATOM 738 HA1 GLY 48 12.298 -33.423 31.623 1.00 37.53 ATOM 739 HA2 GLY 48 12.163 -32.059 30.526 1.00 73.42 ATOM 740 C GLY 48 11.449 -31.670 32.484 1.00 34.42 ATOM 741 O GLY 48 10.245 -31.629 32.231 1.00 74.34 ATOM 742 N VAL 49 11.975 -31.137 33.582 1.00 31.23 ATOM 743 HN VAL 49 12.934 -31.157 33.716 1.00 37.53 ATOM 744 CA VAL 49 11.149 -30.457 34.573 1.00 24.22 ATOM 745 HA VAL 49 10.499 -31.194 35.026 1.00 42.24 ATOM 746 CB VAL 49 12.011 -29.820 35.680 1.00 60.52 ATOM 747 HB VAL 49 12.621 -29.041 35.240 1.00 31.03 ATOM 748 CG1 VAL 49 11.129 -29.187 36.745 1.00 23.34 ATOM 749 HG11 VAL 49 10.402 -29.907 37.096 1.00 2.43 ATOM 750 HG12 VAL 49 10.617 -28.330 36.336 1.00 24.12 ATOM 751 HG13 VAL 49 11.739 -28.863 37.579 1.00 32.31 ATOM 752 CG2 VAL 49 12.941 -30.856 36.292 1.00 24.44 ATOM 753 HG21 VAL 49 13.717 -31.109 35.588 1.00 3.05 ATOM 754 HG22 VAL 49 12.383 -31.742 36.539 1.00 54.34 ATOM 755 HG23 VAL 49 13.397 -30.458 37.190 1.00 11.04 ATOM 756 C VAL 49 10.293 -29.375 33.926 1.00 74.24 ATOM 757 O VAL 49 9.209 -29.052 34.412 1.00 73.40 ATOM 758 N VAL 50 10.786 -28.818 32.824 1.00 13.21 ATOM 759 HN VAL 50 11.672 -29.081 32.491 1.00 37.53 ATOM 760 CA VAL 50 10.065 -27.773 32.108 1.00 53.53 ATOM 761 HA VAL 50 9.576 -27.134 32.834 1.00 64.42 ATOM 762 CB VAL 50 11.022 -26.901 31.273 1.00 22.31 ATOM 763 HB VAL 50 11.459 -27.513 30.494 1.00 11.24 ATOM 764 CG1 VAL 50 10.266 -25.760 30.611 1.00 13.44 ATOM 765 HG11 VAL 50 10.953 -25.204 30.000 1.00 53.12 ATOM 766 HG12 VAL 50 9.845 -25.111 31.365 1.00 55.31 ATOM 767 HG13 VAL 50 9.475 -26.143 29.984 1.00 52.33 ATOM 768 CG2 VAL 50 12.153 -26.370 32.142 1.00 75.33 ATOM 769 HG21 VAL 50 11.746 -25.767 32.942 1.00 5.23 ATOM 770 HG22 VAL 50 12.816 -25.768 31.542 1.00 3.41 ATOM 771 HG23 VAL 50 12.713 -27.191 32.563 1.00 53.32 ATOM 772 C VAL 50 9.005 -28.368 31.188 1.00 55.31 ATOM 773 O VAL 50 7.924 -27.801 31.020 1.00 72.22 ATOM 774 N LEU 51 9.320 -29.514 30.595 1.00 50.45 ATOM 775 HN LEU 51 10.209 -29.912 30.746 1.00 37.53 ATOM 776 CA LEU 51 8.394 -30.188 29.691 1.00 50.40 ATOM 777 HA LEU 51 8.248 -29.550 28.836 1.00 10.11 ATOM 778 CB LEU 51 8.974 -31.531 29.243 1.00 13.55 ATOM 779 HB1 LEU 51 8.163 -32.176 28.955 1.00 37.53 ATOM 780 HB2 LEU 51 9.470 -31.983 30.085 1.00 23.43 ATOM 781 CG LEU 51 9.958 -31.481 28.074 1.00 13.41 ATOM 782 HG LEU 51 10.738 -30.769 28.300 1.00 0.25 ATOM 783 CD1 LEU 51 10.609 -32.839 27.866 1.00 73.12 ATOM 784 HD11 LEU 51 11.318 -32.780 27.052 1.00 64.52 ATOM 785 HD12 LEU 51 9.852 -33.575 27.630 1.00 20.22 ATOM 786 HD13 LEU 51 11.127 -33.134 28.768 1.00 4.14 ATOM 787 CD2 LEU 51 9.254 -31.024 26.804 1.00 2.13 ATOM 788 HD21 LEU 51 9.951 -31.039 25.977 1.00 1.30 ATOM 789 HD22 LEU 51 8.885 -30.019 26.932 1.00 24.13 ATOM 790 HD23 LEU 51 8.432 -31.681 26.587 1.00 51.22 ATOM 791 C LEU 51 7.040 -30.403 30.360 1.00 41.21 ATOM 792 O LEU 51 6.004 -29.999 29.831 1.00 51.14 ATOM 793 N CYS 52 7.057 -31.039 31.526 1.00 52.02 ATOM 794 HN CYS 52 7.921 -31.340 31.898 1.00 37.53 ATOM 795 CA CYS 52 5.830 -31.307 32.268 1.00 1.44 ATOM 796 HA CYS 52 5.223 -31.979 31.676 1.00 61.31 ATOM 797 CB CYS 52 6.155 -31.959 33.613 1.00 63.12 ATOM 798 HB1 CYS 52 5.365 -31.749 34.325 1.00 37.53 ATOM 799 HB2 CYS 52 7.083 -31.555 33.992 1.00 54.44 ATOM 800 SG CYS 52 6.335 -33.757 33.537 1.00 51.33 ATOM 801 HG CYS 52 6.382 -34.110 32.261 1.00 31.04 ATOM 802 C CYS 52 5.038 -30.022 32.491 1.00 62.30 ATOM 803 O CYS 52 3.838 -29.967 32.222 1.00 1.20 ATOM 804 N ARG 53 5.718 -28.992 32.985 1.00 35.52 ATOM 805 HN ARG 53 6.679 -29.099 33.185 1.00 37.53 ATOM 806 CA ARG 53 5.077 -27.709 33.247 1.00 73.40 ATOM 807 HA ARG 53 4.361 -27.850 34.045 1.00 12.12 ATOM 808 CB ARG 53 6.116 -26.676 33.684 1.00 44.31 ATOM 809 HB1 ARG 53 5.649 -25.700 33.738 1.00 37.53 ATOM 810 HB2 ARG 53 6.902 -26.646 32.943 1.00 50.44 ATOM 811 CG ARG 53 6.737 -26.971 35.040 1.00 74.33 ATOM 812 HG1 ARG 53 7.073 -27.998 35.063 1.00 37.53 ATOM 813 HG2 ARG 53 5.992 -26.819 35.806 1.00 62.22 ATOM 814 CD ARG 53 7.921 -26.060 35.321 1.00 61.20 ATOM 815 HD1 ARG 53 7.572 -25.035 35.297 1.00 37.53 ATOM 816 HD2 ARG 53 8.667 -26.205 34.555 1.00 20.51 ATOM 817 NE ARG 53 8.523 -26.331 36.624 1.00 61.33 ATOM 818 HE ARG 53 8.267 -27.163 37.087 1.00 52.33 ATOM 819 CZ ARG 53 9.396 -25.522 37.212 1.00 25.04 ATOM 820 NH1 ARG 53 9.768 -24.397 36.618 1.00 54.50 ATOM 821 HH11 ARG 53 9.409 -24.134 35.725 1.00 51.44 ATOM 822 HH12 ARG 53 10.426 -23.792 37.073 1.00 34.20 ATOM 823 NH2 ARG 53 9.900 -25.838 38.399 1.00 42.32 ATOM 824 HH21 ARG 53 9.623 -26.687 38.854 1.00 34.21 ATOM 825 HH22 ARG 53 10.559 -25.229 38.845 1.00 64.21 ATOM 826 C ARG 53 4.335 -27.210 32.010 1.00 4.44 ATOM 827 O ARG 53 3.209 -26.720 32.104 1.00 20.01 ATOM 828 N LEU 54 4.975 -27.336 30.853 1.00 54.23 ATOM 829 HN LEU 54 5.882 -27.726 30.839 1.00 37.53 ATOM 830 CA LEU 54 4.377 -26.897 29.597 1.00 55.33 ATOM 831 HA LEU 54 4.153 -25.847 29.672 1.00 11.41 ATOM 832 CB LEU 54 5.356 -27.109 28.441 1.00 72.31 ATOM 833 HB1 LEU 54 5.821 -28.072 28.568 1.00 37.53 ATOM 834 HB2 LEU 54 6.127 -26.353 28.514 1.00 21.53 ATOM 835 CG LEU 54 4.757 -27.053 27.035 1.00 2.30 ATOM 836 HG LEU 54 3.966 -27.779 26.951 1.00 44.03 ATOM 837 CD1 LEU 54 4.167 -25.678 26.761 1.00 35.33 ATOM 838 HD11 LEU 54 4.951 -24.947 26.847 1.00 41.55 ATOM 839 HD12 LEU 54 3.388 -25.461 27.478 1.00 72.14 ATOM 840 HD13 LEU 54 3.753 -25.648 25.762 1.00 0.14 ATOM 841 CD2 LEU 54 5.810 -27.400 25.993 1.00 41.13 ATOM 842 HD21 LEU 54 5.424 -27.226 25.007 1.00 23.12 ATOM 843 HD22 LEU 54 6.078 -28.441 26.090 1.00 0.02 ATOM 844 HD23 LEU 54 6.687 -26.794 26.145 1.00 53.34 ATOM 845 C LEU 54 3.077 -27.646 29.321 1.00 13.23 ATOM 846 O LEU 54 2.091 -27.057 28.875 1.00 32.24 ATOM 847 N LEU 55 3.081 -28.946 29.591 1.00 30.45 ATOM 848 HN LEU 55 3.902 -29.368 29.939 1.00 37.53 ATOM 849 CA LEU 55 1.901 -29.777 29.375 1.00 2.31 ATOM 850 HA LEU 55 1.572 -29.628 28.356 1.00 23.42 ATOM 851 CB LEU 55 2.248 -31.253 29.576 1.00 44.13 ATOM 852 HB1 LEU 55 2.638 -31.377 30.577 1.00 37.53 ATOM 853 HB2 LEU 55 3.027 -31.499 28.874 1.00 62.24 ATOM 854 CG LEU 55 1.101 -32.245 29.380 1.00 2.22 ATOM 855 HG LEU 55 0.360 -32.088 30.151 1.00 23.25 ATOM 856 CD1 LEU 55 0.430 -32.026 28.033 1.00 1.12 ATOM 857 HD11 LEU 55 -0.133 -31.105 28.063 1.00 15.03 ATOM 858 HD12 LEU 55 -0.242 -32.845 27.812 1.00 62.51 ATOM 859 HD13 LEU 55 1.173 -31.956 27.267 1.00 74.12 ATOM 860 CD2 LEU 55 1.607 -33.675 29.500 1.00 33.11 ATOM 861 HD21 LEU 55 0.908 -34.248 30.091 1.00 62.34 ATOM 862 HD22 LEU 55 2.574 -33.697 29.976 1.00 43.13 ATOM 863 HD23 LEU 55 1.694 -34.130 28.521 1.00 75.04 ATOM 864 C LEU 55 0.772 -29.375 30.319 1.00 23.31 ATOM 865 O LEU 55 -0.405 -29.534 29.997 1.00 45.14 ATOM 866 N GLU 56 1.140 -28.853 31.485 1.00 41.11 ATOM 867 HN GLU 56 2.095 -28.760 31.698 1.00 37.53 ATOM 868 CA GLU 56 0.157 -28.427 32.475 1.00 63.54 ATOM 869 HA GLU 56 -0.629 -29.174 32.518 1.00 14.14 ATOM 870 CB GLU 56 0.810 -28.303 33.853 1.00 52.30 ATOM 871 HB1 GLU 56 0.373 -27.474 34.395 1.00 37.53 ATOM 872 HB2 GLU 56 1.865 -28.095 33.723 1.00 61.42 ATOM 873 CG GLU 56 0.692 -29.560 34.698 1.00 4.01 ATOM 874 HG1 GLU 56 1.552 -29.614 35.350 1.00 37.53 ATOM 875 HG2 GLU 56 0.679 -30.432 34.057 1.00 54.11 ATOM 876 CD GLU 56 -0.558 -29.572 35.556 1.00 41.41 ATOM 877 OE1 GLU 56 -1.093 -30.670 35.810 1.00 34.53 ATOM 878 OE2 GLU 56 -1.001 -28.481 35.973 1.00 5.31 ATOM 879 C GLU 56 -0.475 -27.097 32.077 1.00 43.34 ATOM 880 O GLU 56 -1.642 -26.839 32.371 1.00 60.21 ATOM 881 N ARG 57 0.305 -26.255 31.406 1.00 4.04 ATOM 882 HN ARG 57 1.239 -26.503 31.211 1.00 37.53 ATOM 883 CA ARG 57 -0.176 -24.950 30.969 1.00 34.24 ATOM 884 HA ARG 57 -0.497 -24.407 31.844 1.00 31.12 ATOM 885 CB ARG 57 0.939 -24.183 30.257 1.00 62.30 ATOM 886 HB1 ARG 57 0.508 -23.481 29.551 1.00 37.53 ATOM 887 HB2 ARG 57 1.555 -24.879 29.712 1.00 13.11 ATOM 888 CG ARG 57 1.839 -23.401 31.200 1.00 53.01 ATOM 889 HG1 ARG 57 2.644 -22.967 30.627 1.00 37.53 ATOM 890 HG2 ARG 57 2.244 -24.073 31.943 1.00 11.54 ATOM 891 CD ARG 57 1.076 -22.288 31.902 1.00 63.20 ATOM 892 HD1 ARG 57 0.473 -22.718 32.687 1.00 37.53 ATOM 893 HD2 ARG 57 0.433 -21.796 31.181 1.00 61.31 ATOM 894 NE ARG 57 1.973 -21.296 32.489 1.00 21.44 ATOM 895 HE ARG 57 2.932 -21.517 32.545 1.00 45.43 ATOM 896 CZ ARG 57 1.566 -20.120 32.952 1.00 54.32 ATOM 897 NH1 ARG 57 0.283 -19.790 32.896 1.00 54.13 ATOM 898 HH11 ARG 57 -0.399 -20.408 32.513 1.00 32.31 ATOM 899 HH12 ARG 57 -0.014 -18.899 33.246 1.00 42.42 ATOM 900 NH2 ARG 57 2.442 -19.270 33.472 1.00 22.32 ATOM 901 HH21 ARG 57 3.413 -19.512 33.517 1.00 1.44 ATOM 902 HH22 ARG 57 2.136 -18.382 33.822 1.00 73.22 ATOM 903 C ARG 57 -1.379 -25.097 30.042 1.00 34.43 ATOM 904 O ARG 57 -2.422 -24.478 30.257 1.00 11.14 ATOM 905 N LEU 58 -1.227 -25.920 29.011 1.00 73.43 ATOM 906 HN LEU 58 -0.385 -26.426 28.921 1.00 37.53 ATOM 907 CA LEU 58 -2.301 -26.149 28.050 1.00 62.13 ATOM 908 HA LEU 58 -2.858 -25.227 27.925 1.00 74.13 ATOM 909 CB LEU 58 -1.720 -26.551 26.693 1.00 52.43 ATOM 910 HB1 LEU 58 -2.477 -26.384 25.939 1.00 37.53 ATOM 911 HB2 LEU 58 -1.501 -27.615 26.721 1.00 70.15 ATOM 912 CG LEU 58 -0.444 -25.823 26.267 1.00 72.51 ATOM 913 HG LEU 58 0.294 -25.889 27.048 1.00 21.34 ATOM 914 CD1 LEU 58 0.153 -26.474 25.029 1.00 23.31 ATOM 915 HD11 LEU 58 -0.107 -25.910 24.145 1.00 25.40 ATOM 916 HD12 LEU 58 -0.208 -27.488 24.922 1.00 4.54 ATOM 917 HD13 LEU 58 1.228 -26.494 25.128 1.00 73.10 ATOM 918 CD2 LEU 58 -0.729 -24.351 26.012 1.00 14.54 ATOM 919 HD21 LEU 58 -1.450 -24.251 25.212 1.00 60.52 ATOM 920 HD22 LEU 58 0.187 -23.847 25.735 1.00 43.24 ATOM 921 HD23 LEU 58 -1.126 -23.898 26.910 1.00 61.03 ATOM 922 C LEU 58 -3.256 -27.230 28.547 1.00 44.21 ATOM 923 O LEU 58 -4.473 -27.111 28.404 1.00 14.13 ATOM 924 N LEU 59 -2.696 -28.283 29.133 1.00 41.54 ATOM 925 HN LEU 59 -1.717 -28.344 29.209 1.00 37.53 ATOM 926 CA LEU 59 -3.498 -29.384 29.654 1.00 64.22 ATOM 927 HA LEU 59 -4.545 -29.154 29.544 1.00 13.50 ATOM 928 CB LEU 59 -3.207 -30.667 28.873 1.00 43.24 ATOM 929 HB1 LEU 59 -3.688 -31.496 29.382 1.00 37.53 ATOM 930 HB2 LEU 59 -2.141 -30.833 28.896 1.00 3.21 ATOM 931 CG LEU 59 -3.663 -30.682 27.413 1.00 3.12 ATOM 932 HG LEU 59 -3.190 -29.865 26.887 1.00 21.35 ATOM 933 CD1 LEU 59 -3.246 -31.979 26.737 1.00 45.40 ATOM 934 HD11 LEU 59 -3.711 -32.818 27.237 1.00 1.11 ATOM 935 HD12 LEU 59 -2.171 -32.083 26.785 1.00 20.43 ATOM 936 HD13 LEU 59 -3.555 -31.964 25.701 1.00 3.24 ATOM 937 CD2 LEU 59 -5.170 -30.492 27.323 1.00 21.35 ATOM 938 HD21 LEU 59 -5.671 -31.252 27.907 1.00 12.25 ATOM 939 HD22 LEU 59 -5.485 -30.570 26.291 1.00 51.41 ATOM 940 HD23 LEU 59 -5.438 -29.517 27.697 1.00 13.20 ATOM 941 C LEU 59 -3.220 -29.605 31.137 1.00 15.04 ATOM 942 O LEU 59 -2.565 -30.568 31.535 1.00 23.10 ATOM 943 N PRO 60 -3.733 -28.693 31.977 1.00 20.44 ATOM 944 CA PRO 60 -3.556 -28.768 33.431 1.00 71.43 ATOM 945 HA PRO 60 -2.509 -28.846 33.695 1.00 55.15 ATOM 946 CB PRO 60 -4.103 -27.427 33.924 1.00 10.42 ATOM 947 HB1 PRO 60 -3.299 -26.717 34.019 1.00 37.53 ATOM 948 HB2 PRO 60 -4.589 -27.543 34.886 1.00 4.34 ATOM 949 CG PRO 60 -5.073 -27.004 32.875 1.00 5.31 ATOM 950 HG1 PRO 60 -5.142 -25.927 32.851 1.00 37.53 ATOM 951 HG2 PRO 60 -6.041 -27.439 33.073 1.00 4.12 ATOM 952 CD PRO 60 -4.525 -27.520 31.573 1.00 10.32 ATOM 953 HD1 PRO 60 -3.900 -26.771 31.114 1.00 37.53 ATOM 954 HD2 PRO 60 -5.335 -27.797 30.916 1.00 63.45 ATOM 955 C PRO 60 -4.337 -29.922 34.051 1.00 64.31 ATOM 956 O PRO 60 -5.556 -30.007 33.909 1.00 3.14 ATOM 957 N GLY 61 -3.625 -30.810 34.740 1.00 50.35 ATOM 958 HN GLY 61 -2.665 -30.703 34.826 1.00 37.53 ATOM 959 CA GLY 61 -4.268 -31.947 35.371 1.00 14.23 ATOM 960 HA1 GLY 61 -5.345 -31.835 35.361 1.00 37.53 ATOM 961 HA2 GLY 61 -3.942 -31.992 36.399 1.00 65.31 ATOM 962 C GLY 61 -3.912 -33.260 34.703 1.00 54.33 ATOM 963 O GLY 61 -4.615 -34.258 34.864 1.00 61.44 ATOM 964 N THR 62 -2.818 -33.260 33.948 1.00 70.13 ATOM 965 HN THR 62 -2.290 -32.444 33.838 1.00 37.53 ATOM 966 CA THR 62 -2.371 -34.459 33.250 1.00 75.03 ATOM 967 HA THR 62 -3.163 -35.201 33.283 1.00 2.23 ATOM 968 CB THR 62 -2.054 -34.163 31.772 1.00 71.23 ATOM 969 HB THR 62 -1.059 -33.740 31.694 1.00 13.13 ATOM 970 OG1 THR 62 -2.990 -33.213 31.250 1.00 21.04 ATOM 971 HG1 THR 62 -3.895 -33.548 31.312 1.00 12.32 ATOM 972 CG2 THR 62 -2.102 -35.438 30.942 1.00 12.54 ATOM 973 HG21 THR 62 -1.877 -35.204 29.912 1.00 24.31 ATOM 974 HG22 THR 62 -3.089 -35.874 31.003 1.00 14.41 ATOM 975 HG23 THR 62 -1.373 -36.143 31.317 1.00 14.30 ATOM 976 C THR 62 -1.135 -35.054 33.914 1.00 10.30 ATOM 977 O THR 62 -0.872 -36.251 33.799 1.00 73.15 ATOM 978 N ILE 63 -0.380 -34.211 34.610 1.00 43.52 ATOM 979 HN ILE 63 -0.622 -33.263 34.673 1.00 37.53 ATOM 980 CA ILE 63 0.828 -34.654 35.294 1.00 23.41 ATOM 981 HA ILE 63 1.215 -35.531 34.780 1.00 5.44 ATOM 982 CB ILE 63 1.923 -33.571 35.264 1.00 72.34 ATOM 983 HB ILE 63 1.610 -32.743 35.887 1.00 5.43 ATOM 984 CG1 ILE 63 2.126 -33.061 33.836 1.00 43.05 ATOM 985 HG11 ILE 63 2.916 -32.322 33.830 1.00 37.53 ATOM 986 HG12 ILE 63 1.215 -32.599 33.486 1.00 53.14 ATOM 987 CG2 ILE 63 3.226 -34.119 35.827 1.00 53.12 ATOM 988 HG21 ILE 63 3.116 -34.297 36.886 1.00 33.43 ATOM 989 HG22 ILE 63 4.022 -33.402 35.674 1.00 20.13 ATOM 990 HG23 ILE 63 3.483 -35.047 35.335 1.00 61.15 ATOM 991 CD1 ILE 63 2.502 -34.148 32.853 1.00 25.02 ATOM 992 HD11 ILE 63 2.820 -33.687 31.939 1.00 20.21 ATOM 993 HD12 ILE 63 1.647 -34.777 32.660 1.00 2.54 ATOM 994 HD13 ILE 63 3.310 -34.747 33.242 1.00 1.50 ATOM 995 C ILE 63 0.535 -35.024 36.744 1.00 14.41 ATOM 996 O ILE 63 0.368 -34.151 37.595 1.00 4.32 ATOM 997 N GLU 64 0.474 -36.323 37.018 1.00 71.24 ATOM 998 HN GLU 64 0.624 -36.978 36.294 1.00 37.53 ATOM 999 CA GLU 64 0.201 -36.807 38.366 1.00 62.53 ATOM 1000 HA GLU 64 -0.668 -36.285 38.747 1.00 33.05 ATOM 1001 CB GLU 64 -0.102 -38.307 38.341 1.00 23.12 ATOM 1002 HB1 GLU 64 0.701 -38.815 37.827 1.00 37.53 ATOM 1003 HB2 GLU 64 -1.021 -38.459 37.790 1.00 4.44 ATOM 1004 CG GLU 64 -0.249 -38.921 39.723 1.00 3.04 ATOM 1005 HG1 GLU 64 -0.811 -38.246 40.357 1.00 37.53 ATOM 1006 HG2 GLU 64 0.734 -39.071 40.143 1.00 24.14 ATOM 1007 CD GLU 64 -0.965 -40.257 39.695 1.00 20.20 ATOM 1008 OE1 GLU 64 -0.314 -41.272 39.368 1.00 1.30 ATOM 1009 OE2 GLU 64 -2.176 -40.289 39.999 1.00 5.23 ATOM 1010 C GLU 64 1.382 -36.531 39.292 1.00 12.03 ATOM 1011 O GLU 64 1.206 -36.065 40.418 1.00 24.24 ATOM 1012 N LYS 65 2.585 -36.822 38.810 1.00 3.13 ATOM 1013 HN LYS 65 2.667 -37.217 37.910 1.00 37.53 ATOM 1014 CA LYS 65 3.796 -36.605 39.593 1.00 63.02 ATOM 1015 HA LYS 65 3.626 -35.775 40.271 1.00 14.12 ATOM 1016 CB LYS 65 4.124 -37.850 40.420 1.00 70.55 ATOM 1017 HB1 LYS 65 4.081 -38.715 39.774 1.00 37.53 ATOM 1018 HB2 LYS 65 3.370 -37.953 41.189 1.00 32.42 ATOM 1019 CG LYS 65 5.499 -37.808 41.064 1.00 73.51 ATOM 1020 HG1 LYS 65 5.833 -36.784 41.165 1.00 37.53 ATOM 1021 HG2 LYS 65 6.189 -38.350 40.434 1.00 44.22 ATOM 1022 CD LYS 65 5.485 -38.433 42.449 1.00 14.32 ATOM 1023 HD1 LYS 65 4.918 -39.356 42.424 1.00 37.53 ATOM 1024 HD2 LYS 65 5.023 -37.744 43.139 1.00 11.52 ATOM 1025 CE LYS 65 6.892 -38.743 42.935 1.00 1.32 ATOM 1026 HE1 LYS 65 7.343 -39.453 42.262 1.00 37.53 ATOM 1027 HE2 LYS 65 6.826 -39.179 43.921 1.00 25.01 ATOM 1028 NZ LYS 65 7.737 -37.518 43.006 1.00 71.44 ATOM 1029 HZ1 LYS 65 7.269 -36.783 43.578 1.00 22.22 ATOM 1030 HZ2 LYS 65 7.914 -37.141 42.054 1.00 44.44 ATOM 1031 HZ3 LYS 65 8.652 -37.747 43.445 1.00 22.30 ATOM 1032 C LYS 65 4.974 -36.258 38.688 1.00 62.43 ATOM 1033 O LYS 65 5.143 -36.846 37.619 1.00 21.33 ATOM 1034 N VAL 66 5.787 -35.301 39.123 1.00 64.13 ATOM 1035 HN VAL 66 5.601 -34.855 39.982 1.00 37.53 ATOM 1036 CA VAL 66 6.951 -34.878 38.353 1.00 61.32 ATOM 1037 HA VAL 66 7.128 -35.599 37.559 1.00 63.03 ATOM 1038 CB VAL 66 6.727 -33.496 37.711 1.00 63.45 ATOM 1039 HB VAL 66 5.735 -33.475 37.282 1.00 54.02 ATOM 1040 CG1 VAL 66 6.814 -32.399 38.760 1.00 22.02 ATOM 1041 HG11 VAL 66 6.347 -32.723 39.682 1.00 74.34 ATOM 1042 HG12 VAL 66 6.296 -31.525 38.395 1.00 30.40 ATOM 1043 HG13 VAL 66 7.844 -32.141 38.948 1.00 11.41 ATOM 1044 CG2 VAL 66 7.733 -33.259 36.594 1.00 3.25 ATOM 1045 HG21 VAL 66 7.830 -34.147 35.986 1.00 41.10 ATOM 1046 HG22 VAL 66 8.698 -33.003 37.008 1.00 53.25 ATOM 1047 HG23 VAL 66 7.391 -32.444 35.981 1.00 31.44 ATOM 1048 C VAL 66 8.199 -34.824 39.228 1.00 54.14 ATOM 1049 O VAL 66 8.107 -34.748 40.453 1.00 3.51 ATOM 1050 N TYR 67 9.363 -34.863 38.590 1.00 23.22 ATOM 1051 HN TYR 67 9.386 -34.963 37.613 1.00 37.53 ATOM 1052 CA TYR 67 10.630 -34.820 39.310 1.00 24.43 ATOM 1053 HA TYR 67 10.449 -34.930 40.364 1.00 12.31 ATOM 1054 CB TYR 67 11.530 -35.977 38.871 1.00 0.10 ATOM 1055 HB1 TYR 67 12.478 -35.902 39.389 1.00 37.53 ATOM 1056 HB2 TYR 67 11.708 -35.910 37.812 1.00 14.23 ATOM 1057 CG TYR 67 10.956 -37.341 39.179 1.00 73.34 ATOM 1058 CD1 TYR 67 11.133 -38.405 38.303 1.00 73.14 ATOM 1059 HD1 TYR 67 11.683 -38.249 37.395 1.00 72.25 ATOM 1060 CD2 TYR 67 10.237 -37.567 40.346 1.00 14.21 ATOM 1061 HD2 TYR 67 10.088 -36.766 41.051 1.00 73.54 ATOM 1062 CE1 TYR 67 10.609 -39.653 38.579 1.00 31.03 ATOM 1063 HE1 TYR 67 10.760 -40.467 37.887 1.00 32.45 ATOM 1064 CE2 TYR 67 9.711 -38.812 40.632 1.00 54.13 ATOM 1065 HE2 TYR 67 9.174 -38.970 41.539 1.00 3.23 ATOM 1066 CZ TYR 67 9.899 -39.852 39.745 1.00 11.51 ATOM 1067 OH TYR 67 9.377 -41.094 40.025 1.00 11.41 ATOM 1068 HH TYR 67 8.422 -41.081 39.908 1.00 11.21 ATOM 1069 C TYR 67 11.343 -33.491 39.080 1.00 21.22 ATOM 1070 O TYR 67 12.200 -33.360 38.206 1.00 1.11 ATOM 1071 N PRO 68 10.981 -32.480 39.884 1.00 25.32 ATOM 1072 CA PRO 68 11.574 -31.143 39.790 1.00 51.24 ATOM 1073 HA PRO 68 11.512 -30.757 38.793 1.00 23.43 ATOM 1074 CB PRO 68 10.702 -30.302 40.726 1.00 44.24 ATOM 1075 HB1 PRO 68 9.913 -29.836 40.155 1.00 37.53 ATOM 1076 HB2 PRO 68 11.290 -29.536 41.218 1.00 52.23 ATOM 1077 CG PRO 68 10.146 -31.278 41.704 1.00 53.22 ATOM 1078 HG1 PRO 68 9.195 -30.926 42.074 1.00 37.53 ATOM 1079 HG2 PRO 68 10.840 -31.416 42.520 1.00 24.40 ATOM 1080 CD PRO 68 9.967 -32.565 40.948 1.00 73.41 ATOM 1081 HD1 PRO 68 8.980 -32.605 40.541 1.00 37.53 ATOM 1082 HD2 PRO 68 10.147 -33.402 41.603 1.00 42.10 ATOM 1083 C PRO 68 13.027 -31.119 40.250 1.00 4.32 ATOM 1084 O PRO 68 13.780 -30.207 39.910 1.00 42.21 ATOM 1085 N GLU 69 13.415 -32.127 41.025 1.00 14.14 ATOM 1086 HN GLU 69 12.771 -32.814 41.306 1.00 37.53 ATOM 1087 CA GLU 69 14.779 -32.220 41.532 1.00 13.43 ATOM 1088 HA GLU 69 15.423 -31.569 40.955 1.00 64.43 ATOM 1089 CB GLU 69 14.837 -31.760 42.991 1.00 51.25 ATOM 1090 HB1 GLU 69 14.690 -30.690 43.017 1.00 37.53 ATOM 1091 HB2 GLU 69 15.819 -31.983 43.395 1.00 1.55 ATOM 1092 CG GLU 69 13.780 -32.401 43.874 1.00 74.14 ATOM 1093 HG1 GLU 69 13.680 -33.448 43.630 1.00 37.53 ATOM 1094 HG2 GLU 69 12.838 -31.905 43.693 1.00 21.15 ATOM 1095 CD GLU 69 14.102 -32.281 45.350 1.00 31.14 ATOM 1096 OE1 GLU 69 14.457 -33.308 45.966 1.00 2.41 ATOM 1097 OE2 GLU 69 13.999 -31.160 45.890 1.00 11.52 ATOM 1098 C GLU 69 15.307 -33.647 41.416 1.00 15.30 ATOM 1099 O GLU 69 15.452 -34.364 42.406 1.00 63.11 ATOM 1100 N PRO 70 15.600 -34.070 40.177 1.00 15.44 ATOM 1101 CA PRO 70 16.115 -35.414 39.901 1.00 5.31 ATOM 1102 HA PRO 70 15.470 -36.175 40.322 1.00 25.52 ATOM 1103 CB PRO 70 16.076 -35.502 38.373 1.00 13.15 ATOM 1104 HB1 PRO 70 15.145 -35.954 38.066 1.00 37.53 ATOM 1105 HB2 PRO 70 16.903 -36.093 37.999 1.00 4.11 ATOM 1106 CG PRO 70 16.160 -34.089 37.910 1.00 5.51 ATOM 1107 HG1 PRO 70 15.669 -33.986 36.953 1.00 37.53 ATOM 1108 HG2 PRO 70 17.195 -33.788 37.836 1.00 44.44 ATOM 1109 CD PRO 70 15.450 -33.268 38.951 1.00 23.11 ATOM 1110 HD1 PRO 70 14.418 -33.144 38.694 1.00 37.53 ATOM 1111 HD2 PRO 70 15.932 -32.308 39.051 1.00 32.23 ATOM 1112 C PRO 70 17.541 -35.603 40.409 1.00 72.13 ATOM 1113 O PRO 70 18.374 -34.703 40.299 1.00 74.13 ATOM 1114 N ARG 71 17.815 -36.779 40.964 1.00 11.12 ATOM 1115 HN ARG 71 17.101 -37.450 41.057 1.00 37.53 ATOM 1116 CA ARG 71 19.140 -37.086 41.489 1.00 10.53 ATOM 1117 HA ARG 71 19.775 -36.216 41.375 1.00 73.33 ATOM 1118 CB ARG 71 19.053 -37.445 42.974 1.00 40.13 ATOM 1119 HB1 ARG 71 18.806 -38.495 43.079 1.00 37.53 ATOM 1120 HB2 ARG 71 18.260 -36.864 43.431 1.00 2.13 ATOM 1121 CG ARG 71 20.340 -37.186 43.739 1.00 2.14 ATOM 1122 HG1 ARG 71 21.182 -37.543 43.161 1.00 37.53 ATOM 1123 HG2 ARG 71 20.298 -37.719 44.677 1.00 11.14 ATOM 1124 CD ARG 71 20.528 -35.705 44.028 1.00 45.22 ATOM 1125 HD1 ARG 71 19.691 -35.366 44.624 1.00 37.53 ATOM 1126 HD2 ARG 71 20.541 -35.153 43.099 1.00 63.10 ATOM 1127 NE ARG 71 21.757 -35.444 44.773 1.00 64.05 ATOM 1128 HE ARG 71 21.674 -35.285 45.739 1.00 63.20 ATOM 1129 CZ ARG 71 22.962 -35.412 44.214 1.00 23.42 ATOM 1130 NH1 ARG 71 23.099 -35.624 42.913 1.00 42.45 ATOM 1131 HH11 ARG 71 22.315 -35.814 42.328 1.00 12.42 ATOM 1132 HH12 ARG 71 24.013 -35.594 42.502 1.00 34.04 ATOM 1133 NH2 ARG 71 24.034 -35.168 44.958 1.00 35.54 ATOM 1134 HH21 ARG 71 23.938 -35.007 45.942 1.00 2.51 ATOM 1135 HH22 ARG 71 24.944 -35.144 44.539 1.00 73.05 ATOM 1136 C ARG 71 19.780 -38.233 40.714 1.00 71.23 ATOM 1137 O ARG 71 20.998 -38.412 40.742 1.00 15.00 ATOM 1138 N SER 72 18.951 -39.008 40.022 1.00 34.53 ATOM 1139 HN SER 72 17.989 -38.840 40.023 1.00 37.53 ATOM 1140 CA SER 72 19.435 -40.142 39.243 1.00 53.44 ATOM 1141 HA SER 72 20.503 -40.250 39.387 1.00 52.23 ATOM 1142 CB SER 72 18.756 -41.433 39.705 1.00 43.34 ATOM 1143 HB1 SER 72 18.800 -42.186 38.928 1.00 37.53 ATOM 1144 HB2 SER 72 17.721 -41.232 39.942 1.00 65.21 ATOM 1145 OG SER 72 19.388 -41.955 40.861 1.00 73.02 ATOM 1146 HG SER 72 20.184 -42.430 40.608 1.00 35.04 ATOM 1147 C SER 72 19.181 -39.925 37.754 1.00 54.21 ATOM 1148 O SER 72 18.561 -38.939 37.357 1.00 41.41 ATOM 1149 N GLU 73 19.664 -40.854 36.936 1.00 62.51 ATOM 1150 HN GLU 73 20.148 -41.628 37.313 1.00 37.53 ATOM 1151 CA GLU 73 19.490 -40.765 35.491 1.00 44.31 ATOM 1152 HA GLU 73 19.587 -39.722 35.207 1.00 51.52 ATOM 1153 CB GLU 73 20.562 -41.589 34.774 1.00 41.52 ATOM 1154 HB1 GLU 73 20.141 -42.534 34.451 1.00 37.53 ATOM 1155 HB2 GLU 73 21.365 -41.804 35.470 1.00 40.51 ATOM 1156 CG GLU 73 21.145 -40.898 33.553 1.00 42.53 ATOM 1157 HG1 GLU 73 20.526 -40.067 33.303 1.00 37.53 ATOM 1158 HG2 GLU 73 21.147 -41.599 32.730 1.00 51.45 ATOM 1159 CD GLU 73 22.565 -40.416 33.778 1.00 65.25 ATOM 1160 OE1 GLU 73 22.815 -39.767 34.814 1.00 3.42 ATOM 1161 OE2 GLU 73 23.427 -40.690 32.916 1.00 43.21 ATOM 1162 C GLU 73 18.102 -41.247 35.079 1.00 44.21 ATOM 1163 O GLU 73 17.544 -40.787 34.083 1.00 63.13 ATOM 1164 N SER 74 17.551 -42.177 35.853 1.00 44.43 ATOM 1165 HN SER 74 18.045 -42.519 36.633 1.00 37.53 ATOM 1166 CA SER 74 16.231 -42.725 35.567 1.00 51.13 ATOM 1167 HA SER 74 16.209 -43.036 34.530 1.00 24.54 ATOM 1168 CB SER 74 15.959 -43.944 36.451 1.00 40.42 ATOM 1169 HB1 SER 74 14.895 -44.044 36.633 1.00 37.53 ATOM 1170 HB2 SER 74 16.469 -43.834 37.397 1.00 41.52 ATOM 1171 OG SER 74 16.411 -45.135 35.830 1.00 11.23 ATOM 1172 HG SER 74 16.351 -45.864 36.452 1.00 62.32 ATOM 1173 C SER 74 15.147 -41.673 35.784 1.00 62.13 ATOM 1174 O SER 74 14.224 -41.544 34.980 1.00 2.44 ATOM 1175 N GLU 75 15.268 -40.925 36.876 1.00 51.33 ATOM 1176 HN GLU 75 16.023 -41.082 37.492 1.00 37.53 ATOM 1177 CA GLU 75 14.298 -39.885 37.199 1.00 4.32 ATOM 1178 HA GLU 75 13.329 -40.354 37.319 1.00 64.32 ATOM 1179 CB GLU 75 14.683 -39.187 38.505 1.00 14.35 ATOM 1180 HB1 GLU 75 14.157 -38.243 38.571 1.00 37.53 ATOM 1181 HB2 GLU 75 15.746 -38.985 38.484 1.00 62.45 ATOM 1182 CG GLU 75 14.388 -40.013 39.746 1.00 1.44 ATOM 1183 HG1 GLU 75 15.285 -40.059 40.347 1.00 37.53 ATOM 1184 HG2 GLU 75 14.102 -41.018 39.462 1.00 3.40 ATOM 1185 CD GLU 75 13.279 -39.419 40.593 1.00 50.32 ATOM 1186 OE1 GLU 75 12.443 -40.194 41.103 1.00 3.13 ATOM 1187 OE2 GLU 75 13.246 -38.180 40.745 1.00 43.24 ATOM 1188 C GLU 75 14.202 -38.861 36.072 1.00 42.22 ATOM 1189 O GLU 75 13.109 -38.526 35.615 1.00 53.03 ATOM 1190 N CYS 76 15.353 -38.367 35.629 1.00 24.42 ATOM 1191 HN CYS 76 16.198 -38.668 36.041 1.00 37.53 ATOM 1192 CA CYS 76 15.400 -37.380 34.556 1.00 21.43 ATOM 1193 HA CYS 76 14.965 -36.464 34.933 1.00 10.23 ATOM 1194 CB CYS 76 16.848 -37.115 34.142 1.00 61.00 ATOM 1195 HB1 CYS 76 17.249 -37.984 33.637 1.00 37.53 ATOM 1196 HB2 CYS 76 17.434 -36.924 35.029 1.00 44.41 ATOM 1197 SG CYS 76 17.053 -35.693 33.044 1.00 60.21 ATOM 1198 HG CYS 76 15.860 -35.150 32.851 1.00 24.24 ATOM 1199 C CYS 76 14.591 -37.849 33.351 1.00 2.20 ATOM 1200 O CYS 76 13.651 -37.178 32.922 1.00 20.52 ATOM 1201 N LEU 77 14.964 -39.002 32.808 1.00 74.35 ATOM 1202 HN LEU 77 15.722 -39.496 33.202 1.00 37.53 ATOM 1203 CA LEU 77 14.274 -39.561 31.650 1.00 52.43 ATOM 1204 HA LEU 77 14.443 -38.901 30.811 1.00 71.41 ATOM 1205 CB LEU 77 14.836 -40.943 31.314 1.00 32.11 ATOM 1206 HB1 LEU 77 14.251 -41.367 30.504 1.00 37.53 ATOM 1207 HB2 LEU 77 14.694 -41.567 32.190 1.00 21.02 ATOM 1208 CG LEU 77 16.313 -40.990 30.923 1.00 63.20 ATOM 1209 HG LEU 77 16.873 -40.305 31.544 1.00 3.12 ATOM 1210 CD1 LEU 77 16.881 -42.383 31.147 1.00 33.32 ATOM 1211 HD11 LEU 77 16.353 -43.097 30.530 1.00 32.02 ATOM 1212 HD12 LEU 77 16.769 -42.657 32.187 1.00 43.03 ATOM 1213 HD13 LEU 77 17.931 -42.393 30.889 1.00 24.41 ATOM 1214 CD2 LEU 77 16.495 -40.565 29.473 1.00 31.31 ATOM 1215 HD21 LEU 77 16.112 -39.563 29.339 1.00 12.11 ATOM 1216 HD22 LEU 77 15.960 -41.243 28.823 1.00 30.00 ATOM 1217 HD23 LEU 77 17.546 -40.580 29.220 1.00 64.34 ATOM 1218 C LEU 77 12.773 -39.657 31.904 1.00 30.33 ATOM 1219 O LEU 77 11.969 -39.575 30.976 1.00 41.22 ATOM 1220 N SER 78 12.403 -39.831 33.169 1.00 15.50 ATOM 1221 HN SER 78 13.082 -39.953 33.865 1.00 37.53 ATOM 1222 CA SER 78 10.998 -39.940 33.546 1.00 1.21 ATOM 1223 HA SER 78 10.553 -40.738 32.966 1.00 44.31 ATOM 1224 CB SER 78 10.872 -40.283 35.032 1.00 62.34 ATOM 1225 HB1 SER 78 10.967 -39.388 35.631 1.00 37.53 ATOM 1226 HB2 SER 78 11.649 -40.981 35.308 1.00 35.32 ATOM 1227 OG SER 78 9.617 -40.879 35.313 1.00 45.22 ATOM 1228 HG SER 78 9.366 -40.698 36.222 1.00 44.33 ATOM 1229 C SER 78 10.253 -38.642 33.247 1.00 31.55 ATOM 1230 O SER 78 9.148 -38.659 32.706 1.00 3.12 ATOM 1231 N ASN 79 10.867 -37.519 33.605 1.00 33.11 ATOM 1232 HN ASN 79 11.747 -37.567 34.050 1.00 37.53 ATOM 1233 CA ASN 79 10.262 -36.212 33.377 1.00 42.34 ATOM 1234 HA ASN 79 9.382 -36.138 34.002 1.00 35.01 ATOM 1235 CB ASN 79 11.247 -35.100 33.745 1.00 33.03 ATOM 1236 HB1 ASN 79 10.908 -34.168 33.320 1.00 37.53 ATOM 1237 HB2 ASN 79 12.219 -35.333 33.346 1.00 22.55 ATOM 1238 CG ASN 79 11.366 -34.907 35.245 1.00 55.12 ATOM 1239 OD1 ASN 79 10.440 -35.214 35.997 1.00 43.24 ATOM 1240 ND2 ASN 79 12.509 -34.395 35.686 1.00 33.54 ATOM 1241 HD21 ASN 79 13.214 -34.168 35.038 1.00 72.44 ATOM 1242 HD22 ASN 79 12.607 -34.262 36.651 1.00 54.45 ATOM 1243 C ASN 79 9.828 -36.060 31.922 1.00 50.01 ATOM 1244 O ASN 79 8.733 -35.573 31.638 1.00 21.11 ATOM 1245 N ILE 80 10.693 -36.480 31.005 1.00 30.31 ATOM 1246 HN ILE 80 11.559 -36.858 31.290 1.00 37.53 ATOM 1247 CA ILE 80 10.398 -36.393 29.580 1.00 1.23 ATOM 1248 HA ILE 80 10.070 -35.382 29.361 1.00 61.20 ATOM 1249 CB ILE 80 11.646 -36.689 28.728 1.00 42.41 ATOM 1250 HB ILE 80 11.977 -37.688 28.967 1.00 1.14 ATOM 1251 CG1 ILE 80 12.760 -35.691 29.052 1.00 24.45 ATOM 1252 HG11 ILE 80 12.699 -35.390 30.089 1.00 37.53 ATOM 1253 HG12 ILE 80 12.660 -34.809 28.439 1.00 74.41 ATOM 1254 CG2 ILE 80 11.300 -36.641 27.247 1.00 12.32 ATOM 1255 HG21 ILE 80 12.203 -36.693 26.662 1.00 12.21 ATOM 1256 HG22 ILE 80 10.781 -35.721 27.017 1.00 4.14 ATOM 1257 HG23 ILE 80 10.674 -37.479 26.992 1.00 34.12 ATOM 1258 CD1 ILE 80 14.151 -36.250 28.845 1.00 33.35 ATOM 1259 HD11 ILE 80 14.883 -35.495 29.091 1.00 31.01 ATOM 1260 HD12 ILE 80 14.271 -36.544 27.813 1.00 75.21 ATOM 1261 HD13 ILE 80 14.292 -37.110 29.483 1.00 4.05 ATOM 1262 C ILE 80 9.287 -37.361 29.188 1.00 23.13 ATOM 1263 O ILE 80 8.361 -36.998 28.463 1.00 30.40 ATOM 1264 N ARG 81 9.386 -38.594 29.674 1.00 31.13 ATOM 1265 HN ARG 81 10.161 -38.831 30.237 1.00 37.53 ATOM 1266 CA ARG 81 8.389 -39.615 29.375 1.00 21.24 ATOM 1267 HA ARG 81 8.440 -39.826 28.326 1.00 60.03 ATOM 1268 CB ARG 81 8.675 -40.887 30.176 1.00 32.01 ATOM 1269 HB1 ARG 81 7.744 -41.320 30.527 1.00 37.53 ATOM 1270 HB2 ARG 81 9.280 -40.640 31.038 1.00 21.45 ATOM 1271 CG ARG 81 9.409 -41.955 29.382 1.00 55.05 ATOM 1272 HG1 ARG 81 9.629 -42.784 30.039 1.00 37.53 ATOM 1273 HG2 ARG 81 10.335 -41.537 29.012 1.00 24.25 ATOM 1274 CD ARG 81 8.581 -42.439 28.201 1.00 15.52 ATOM 1275 HD1 ARG 81 9.142 -42.233 27.300 1.00 37.53 ATOM 1276 HD2 ARG 81 7.635 -41.913 28.159 1.00 33.15 ATOM 1277 NE ARG 81 8.310 -43.872 28.273 1.00 45.03 ATOM 1278 HE ARG 81 8.464 -44.331 29.132 1.00 35.34 ATOM 1279 CZ ARG 81 7.861 -44.587 27.248 1.00 73.14 ATOM 1280 NH1 ARG 81 7.632 -44.005 26.078 1.00 22.05 ATOM 1281 HH11 ARG 81 7.786 -43.029 25.940 1.00 3.45 ATOM 1282 HH12 ARG 81 7.296 -44.555 25.310 1.00 74.12 ATOM 1283 NH2 ARG 81 7.639 -45.888 27.391 1.00 40.52 ATOM 1284 HH21 ARG 81 7.809 -46.334 28.272 1.00 43.24 ATOM 1285 HH22 ARG 81 7.300 -46.430 26.619 1.00 44.30 ATOM 1286 C ARG 81 6.983 -39.110 29.687 1.00 63.21 ATOM 1287 O ARG 81 6.070 -39.248 28.874 1.00 60.50 ATOM 1288 N GLU 82 6.818 -38.525 30.869 1.00 25.43 ATOM 1289 HN GLU 82 7.588 -38.454 31.482 1.00 37.53 ATOM 1290 CA GLU 82 5.524 -38.002 31.288 1.00 54.52 ATOM 1291 HA GLU 82 4.863 -38.850 31.399 1.00 14.12 ATOM 1292 CB GLU 82 5.655 -37.259 32.619 1.00 30.45 ATOM 1293 HB1 GLU 82 5.518 -36.206 32.455 1.00 37.53 ATOM 1294 HB2 GLU 82 6.641 -37.417 33.033 1.00 55.03 ATOM 1295 CG GLU 82 4.642 -37.698 33.663 1.00 15.12 ATOM 1296 HG1 GLU 82 4.675 -37.005 34.491 1.00 37.53 ATOM 1297 HG2 GLU 82 4.907 -38.685 34.010 1.00 4.04 ATOM 1298 CD GLU 82 3.226 -37.740 33.121 1.00 42.05 ATOM 1299 OE1 GLU 82 2.917 -36.944 32.209 1.00 62.32 ATOM 1300 OE2 GLU 82 2.428 -38.568 33.607 1.00 11.42 ATOM 1301 C GLU 82 4.946 -37.068 30.228 1.00 71.22 ATOM 1302 O GLU 82 3.814 -37.247 29.777 1.00 20.04 ATOM 1303 N PHE 83 5.732 -36.071 29.834 1.00 35.31 ATOM 1304 HN PHE 83 6.630 -35.978 30.235 1.00 37.53 ATOM 1305 CA PHE 83 5.299 -35.108 28.828 1.00 34.23 ATOM 1306 HA PHE 83 4.475 -34.544 29.239 1.00 34.01 ATOM 1307 CB PHE 83 6.438 -34.145 28.490 1.00 2.34 ATOM 1308 HB1 PHE 83 7.328 -34.720 28.264 1.00 37.53 ATOM 1309 HB2 PHE 83 6.632 -33.530 29.358 1.00 10.23 ATOM 1310 CG PHE 83 6.137 -33.244 27.327 1.00 72.45 ATOM 1311 CD1 PHE 83 6.612 -33.545 26.060 1.00 3.32 ATOM 1312 HD1 PHE 83 7.206 -34.436 25.909 1.00 51.22 ATOM 1313 CD2 PHE 83 5.377 -32.098 27.499 1.00 65.34 ATOM 1314 HD2 PHE 83 5.008 -31.849 28.481 1.00 23.44 ATOM 1315 CE1 PHE 83 6.337 -32.717 24.988 1.00 70.52 ATOM 1316 HE1 PHE 83 6.713 -32.962 24.006 1.00 51.24 ATOM 1317 CE2 PHE 83 5.099 -31.267 26.430 1.00 75.53 ATOM 1318 HE2 PHE 83 4.506 -30.377 26.579 1.00 51.41 ATOM 1319 CZ PHE 83 5.578 -31.578 25.172 1.00 22.24 ATOM 1320 HZ PHE 83 5.373 -30.937 24.335 1.00 20.22 ATOM 1321 C PHE 83 4.826 -35.818 27.563 1.00 31.32 ATOM 1322 O PHE 83 3.907 -35.357 26.885 1.00 32.11 ATOM 1323 N LEU 84 5.461 -36.943 27.251 1.00 52.41 ATOM 1324 HN LEU 84 6.202 -37.259 27.815 1.00 37.53 ATOM 1325 CA LEU 84 5.107 -37.718 26.067 1.00 54.31 ATOM 1326 HA LEU 84 4.882 -37.031 25.260 1.00 32.03 ATOM 1327 CB LEU 84 6.281 -38.600 25.641 1.00 61.41 ATOM 1328 HB1 LEU 84 6.025 -39.080 24.705 1.00 37.53 ATOM 1329 HB2 LEU 84 6.391 -39.376 26.393 1.00 11.44 ATOM 1330 CG LEU 84 7.629 -37.895 25.485 1.00 73.04 ATOM 1331 HG LEU 84 7.740 -37.144 26.245 1.00 74.14 ATOM 1332 CD1 LEU 84 8.771 -38.885 25.647 1.00 65.34 ATOM 1333 HD11 LEU 84 8.895 -39.110 26.685 1.00 10.21 ATOM 1334 HD12 LEU 84 9.693 -38.460 25.271 1.00 60.31 ATOM 1335 HD13 LEU 84 8.553 -39.798 25.109 1.00 34.23 ATOM 1336 CD2 LEU 84 7.712 -37.198 24.135 1.00 43.34 ATOM 1337 HD21 LEU 84 6.946 -37.562 23.470 1.00 32.24 ATOM 1338 HD22 LEU 84 8.677 -37.371 23.689 1.00 43.55 ATOM 1339 HD23 LEU 84 7.573 -36.138 24.282 1.00 70.01 ATOM 1340 C LEU 84 3.876 -38.580 26.329 1.00 62.34 ATOM 1341 O LEU 84 3.141 -38.927 25.404 1.00 22.50 ATOM 1342 N ARG 85 3.657 -38.921 27.594 1.00 0.24 ATOM 1343 HN ARG 85 4.293 -38.651 28.282 1.00 37.53 ATOM 1344 CA ARG 85 2.515 -39.742 27.978 1.00 11.20 ATOM 1345 HA ARG 85 2.481 -40.601 27.317 1.00 62.54 ATOM 1346 CB ARG 85 2.664 -40.217 29.425 1.00 51.44 ATOM 1347 HB1 ARG 85 1.737 -40.038 29.961 1.00 37.53 ATOM 1348 HB2 ARG 85 3.451 -39.662 29.913 1.00 41.24 ATOM 1349 CG ARG 85 2.998 -41.694 29.549 1.00 32.13 ATOM 1350 HG1 ARG 85 4.032 -41.843 29.274 1.00 37.53 ATOM 1351 HG2 ARG 85 2.361 -42.263 28.885 1.00 14.31 ATOM 1352 CD ARG 85 2.789 -42.195 30.970 1.00 13.50 ATOM 1353 HD1 ARG 85 3.244 -41.496 31.661 1.00 37.53 ATOM 1354 HD2 ARG 85 3.276 -43.154 31.078 1.00 32.31 ATOM 1355 NE ARG 85 1.372 -42.326 31.301 1.00 4.42 ATOM 1356 HE ARG 85 0.978 -41.635 31.877 1.00 71.31 ATOM 1357 CZ ARG 85 0.605 -43.319 30.867 1.00 22.54 ATOM 1358 NH1 ARG 85 1.115 -44.264 30.090 1.00 63.34 ATOM 1359 HH11 ARG 85 2.072 -44.257 29.813 1.00 30.31 ATOM 1360 HH12 ARG 85 0.526 -45.009 29.769 1.00 33.33 ATOM 1361 NH2 ARG 85 -0.675 -43.370 31.212 1.00 12.11 ATOM 1362 HH21 ARG 85 -1.067 -42.660 31.801 1.00 52.44 ATOM 1363 HH22 ARG 85 -1.256 -44.119 30.885 1.00 23.02 ATOM 1364 C ARG 85 1.210 -38.967 27.818 1.00 62.05 ATOM 1365 O ARG 85 0.199 -39.517 27.382 1.00 45.32 ATOM 1366 N GLY 86 1.240 -37.686 28.174 1.00 65.34 ATOM 1367 HN GLY 86 2.064 -37.288 28.532 1.00 37.53 ATOM 1368 CA GLY 86 0.055 -36.857 28.062 1.00 33.14 ATOM 1369 HA1 GLY 86 0.182 -35.990 28.693 1.00 37.53 ATOM 1370 HA2 GLY 86 -0.812 -37.409 28.406 1.00 42.22 ATOM 1371 C GLY 86 -0.193 -36.387 26.643 1.00 42.51 ATOM 1372 O GLY 86 -1.266 -36.616 26.084 1.00 11.31 ATOM 1373 N CYS 87 0.801 -35.726 26.059 1.00 53.01 ATOM 1374 HN CYS 87 1.638 -35.572 26.561 1.00 37.53 ATOM 1375 CA CYS 87 0.685 -35.219 24.696 1.00 71.30 ATOM 1376 HA CYS 87 -0.097 -34.471 24.682 1.00 3.31 ATOM 1377 CB CYS 87 2.002 -34.580 24.254 1.00 51.12 ATOM 1378 HB1 CYS 87 1.991 -34.421 23.184 1.00 37.53 ATOM 1379 HB2 CYS 87 2.816 -35.244 24.501 1.00 25.12 ATOM 1380 SG CYS 87 2.346 -32.985 25.033 1.00 43.12 ATOM 1381 HG CYS 87 1.227 -32.276 25.024 1.00 12.20 ATOM 1382 C CYS 87 0.299 -36.336 23.732 1.00 73.13 ATOM 1383 O CYS 87 -0.424 -36.111 22.762 1.00 43.42 ATOM 1384 N GLY 88 0.787 -37.542 24.005 1.00 61.31 ATOM 1385 HN GLY 88 1.379 -37.679 24.776 1.00 37.53 ATOM 1386 CA GLY 88 0.484 -38.676 23.151 1.00 31.14 ATOM 1387 HA1 GLY 88 1.285 -39.395 23.240 1.00 37.53 ATOM 1388 HA2 GLY 88 0.423 -38.355 22.117 1.00 14.14 ATOM 1389 C GLY 88 -0.816 -39.357 23.532 1.00 23.11 ATOM 1390 O GLY 88 -1.315 -40.210 22.799 1.00 32.11 ATOM 1391 N ALA 89 -1.364 -38.981 24.683 1.00 60.21 ATOM 1392 HN ALA 89 -0.932 -38.310 25.232 1.00 37.53 ATOM 1393 CA ALA 89 -2.613 -39.561 25.159 1.00 34.34 ATOM 1394 HA ALA 89 -2.699 -40.573 24.780 1.00 14.20 ATOM 1395 CB ALA 89 -2.612 -39.642 26.679 1.00 71.22 ATOM 1396 HB1 ALA 89 -1.959 -40.441 26.991 1.00 42.51 ATOM 1397 HB2 ALA 89 -3.612 -39.843 27.043 1.00 11.03 ATOM 1398 HB3 ALA 89 -2.260 -38.708 27.092 1.00 42.30 ATOM 1399 C ALA 89 -3.813 -38.757 24.672 1.00 55.14 ATOM 1400 O ALA 89 -4.626 -39.249 23.889 1.00 60.12 ATOM 1401 N SER 90 -3.919 -37.517 25.140 1.00 70.33 ATOM 1402 HN SER 90 -3.224 -37.167 25.748 1.00 37.53 ATOM 1403 CA SER 90 -5.023 -36.646 24.754 1.00 20.13 ATOM 1404 HA SER 90 -5.942 -37.217 24.800 1.00 55.21 ATOM 1405 CB SER 90 -5.133 -35.468 25.724 1.00 41.32 ATOM 1406 HB1 SER 90 -4.143 -35.132 26.001 1.00 37.53 ATOM 1407 HB2 SER 90 -5.666 -35.782 26.609 1.00 1.34 ATOM 1408 OG SER 90 -5.830 -34.385 25.133 1.00 12.41 ATOM 1409 HG SER 90 -5.757 -33.611 25.697 1.00 64.52 ATOM 1410 C SER 90 -4.838 -36.132 23.330 1.00 45.10 ATOM 1411 O SER 90 -5.631 -36.438 22.439 1.00 43.14 ATOM 1412 N LEU 91 -3.785 -35.349 23.123 1.00 44.10 ATOM 1413 HN LEU 91 -3.177 -35.149 23.875 1.00 37.53 ATOM 1414 CA LEU 91 -3.493 -34.791 21.807 1.00 0.10 ATOM 1415 HA LEU 91 -4.367 -34.247 21.470 1.00 51.32 ATOM 1416 CB LEU 91 -2.304 -33.832 21.890 1.00 60.00 ATOM 1417 HB1 LEU 91 -1.755 -33.893 20.964 1.00 37.53 ATOM 1418 HB2 LEU 91 -1.655 -34.175 22.682 1.00 52.22 ATOM 1419 CG LEU 91 -2.643 -32.364 22.153 1.00 65.22 ATOM 1420 HG LEU 91 -3.503 -32.303 22.807 1.00 30.13 ATOM 1421 CD1 LEU 91 -1.485 -31.666 22.849 1.00 2.21 ATOM 1422 HD11 LEU 91 -0.668 -31.524 22.164 1.00 3.43 ATOM 1423 HD12 LEU 91 -1.150 -32.256 23.692 1.00 51.34 ATOM 1424 HD13 LEU 91 -1.818 -30.702 23.205 1.00 64.04 ATOM 1425 CD2 LEU 91 -2.990 -31.656 20.852 1.00 53.23 ATOM 1426 HD21 LEU 91 -3.029 -30.586 21.005 1.00 73.25 ATOM 1427 HD22 LEU 91 -3.955 -32.000 20.509 1.00 64.32 ATOM 1428 HD23 LEU 91 -2.247 -31.893 20.110 1.00 15.22 ATOM 1429 C LEU 91 -3.199 -35.898 20.799 1.00 11.53 ATOM 1430 O LEU 91 -3.536 -35.783 19.621 1.00 44.34 ATOM 1431 N ARG 92 -2.571 -36.969 21.272 1.00 73.44 ATOM 1432 HN ARG 92 -2.304 -37.012 22.216 1.00 37.53 ATOM 1433 CA ARG 92 -2.233 -38.097 20.412 1.00 31.41 ATOM 1434 HA ARG 92 -1.687 -38.805 21.002 1.00 4.13 ATOM 1435 CB ARG 92 -3.505 -38.753 19.871 1.00 31.12 ATOM 1436 HB1 ARG 92 -3.834 -38.236 18.978 1.00 37.53 ATOM 1437 HB2 ARG 92 -4.280 -38.664 20.624 1.00 3.44 ATOM 1438 CG ARG 92 -3.335 -40.226 19.535 1.00 55.42 ATOM 1439 HG1 ARG 92 -2.759 -40.708 20.315 1.00 37.53 ATOM 1440 HG2 ARG 92 -2.812 -40.312 18.595 1.00 52.51 ATOM 1441 CD ARG 92 -4.679 -40.928 19.416 1.00 21.33 ATOM 1442 HD1 ARG 92 -5.147 -40.628 18.490 1.00 37.53 ATOM 1443 HD2 ARG 92 -5.306 -40.633 20.249 1.00 24.02 ATOM 1444 NE ARG 92 -4.539 -42.382 19.427 1.00 10.10 ATOM 1445 HE ARG 92 -3.628 -42.759 19.407 1.00 43.20 ATOM 1446 CZ ARG 92 -5.570 -43.219 19.460 1.00 22.21 ATOM 1447 NH1 ARG 92 -6.809 -42.749 19.485 1.00 33.21 ATOM 1448 HH11 ARG 92 -6.994 -41.768 19.479 1.00 31.34 ATOM 1449 HH12 ARG 92 -7.581 -43.388 19.511 1.00 42.23 ATOM 1450 NH2 ARG 92 -5.362 -44.530 19.468 1.00 43.43 ATOM 1451 HH21 ARG 92 -4.428 -44.892 19.449 1.00 43.42 ATOM 1452 HH22 ARG 92 -6.138 -45.164 19.493 1.00 41.22 ATOM 1453 C ARG 92 -1.346 -37.651 19.254 1.00 62.34 ATOM 1454 O ARG 92 -1.367 -38.247 18.176 1.00 75.13 ATOM 1455 N LEU 93 -0.567 -36.600 19.483 1.00 41.12 ATOM 1456 HN LEU 93 -0.561 -36.190 20.373 1.00 37.53 ATOM 1457 CA LEU 93 0.328 -36.073 18.458 1.00 21.03 ATOM 1458 HA LEU 93 -0.185 -36.103 17.504 1.00 51.32 ATOM 1459 CB LEU 93 0.692 -34.620 18.769 1.00 22.25 ATOM 1460 HB1 LEU 93 -0.233 -34.063 18.733 1.00 37.53 ATOM 1461 HB2 LEU 93 1.324 -34.241 17.975 1.00 32.45 ATOM 1462 CG LEU 93 1.363 -34.371 20.121 1.00 62.13 ATOM 1463 HG LEU 93 1.147 -35.182 20.801 1.00 63.02 ATOM 1464 CD1 LEU 93 2.874 -34.307 19.962 1.00 24.25 ATOM 1465 HD11 LEU 93 3.239 -35.303 19.871 1.00 24.51 ATOM 1466 HD12 LEU 93 3.322 -33.850 20.836 1.00 15.52 ATOM 1467 HD13 LEU 93 3.143 -33.737 19.082 1.00 50.52 ATOM 1468 CD2 LEU 93 0.836 -33.089 20.750 1.00 63.44 ATOM 1469 HD21 LEU 93 0.882 -33.174 21.823 1.00 42.44 ATOM 1470 HD22 LEU 93 -0.181 -32.905 20.455 1.00 34.23 ATOM 1471 HD23 LEU 93 1.441 -32.246 20.440 1.00 2.10 ATOM 1472 C LEU 93 1.595 -36.916 18.356 1.00 21.12 ATOM 1473 O LEU 93 1.746 -37.914 19.061 1.00 41.45 ATOM 1474 N GLU 94 2.503 -36.506 17.476 1.00 62.30 ATOM 1475 HN GLU 94 2.330 -35.695 16.948 1.00 37.53 ATOM 1476 CA GLU 94 3.758 -37.224 17.284 1.00 51.14 ATOM 1477 HA GLU 94 3.525 -38.275 17.152 1.00 50.41 ATOM 1478 CB GLU 94 4.467 -36.727 16.022 1.00 70.20 ATOM 1479 HB1 GLU 94 5.251 -37.430 15.775 1.00 37.53 ATOM 1480 HB2 GLU 94 4.912 -35.758 16.219 1.00 1.32 ATOM 1481 CG GLU 94 3.544 -36.578 14.824 1.00 64.11 ATOM 1482 HG1 GLU 94 3.054 -35.617 14.882 1.00 37.53 ATOM 1483 HG2 GLU 94 2.798 -37.362 14.844 1.00 32.00 ATOM 1484 CD GLU 94 4.284 -36.665 13.503 1.00 25.03 ATOM 1485 OE1 GLU 94 4.896 -37.721 13.235 1.00 51.40 ATOM 1486 OE2 GLU 94 4.253 -35.678 12.739 1.00 72.44 ATOM 1487 C GLU 94 4.672 -37.056 18.494 1.00 41.42 ATOM 1488 O GLU 94 5.055 -35.940 18.847 1.00 2.13 ATOM 1489 N THR 95 5.018 -38.172 19.127 1.00 62.54 ATOM 1490 HN THR 95 4.693 -39.042 18.798 1.00 37.53 ATOM 1491 CA THR 95 5.885 -38.150 20.298 1.00 42.02 ATOM 1492 HA THR 95 5.942 -37.138 20.686 1.00 55.13 ATOM 1493 CB THR 95 5.337 -39.051 21.420 1.00 31.31 ATOM 1494 HB THR 95 6.018 -39.024 22.259 1.00 74.10 ATOM 1495 OG1 THR 95 5.228 -40.401 20.955 1.00 31.21 ATOM 1496 HG1 THR 95 5.266 -41.005 21.702 1.00 14.34 ATOM 1497 CG2 THR 95 3.976 -38.561 21.892 1.00 5.31 ATOM 1498 HG21 THR 95 4.065 -37.553 22.271 1.00 20.00 ATOM 1499 HG22 THR 95 3.615 -39.208 22.677 1.00 53.21 ATOM 1500 HG23 THR 95 3.279 -38.576 21.066 1.00 15.23 ATOM 1501 C THR 95 7.298 -38.600 19.945 1.00 61.24 ATOM 1502 O THR 95 7.541 -39.118 18.854 1.00 2.03 ATOM 1503 N PHE 96 8.227 -38.401 20.873 1.00 3.54 ATOM 1504 HN PHE 96 7.977 -37.994 21.714 1.00 37.53 ATOM 1505 CA PHE 96 9.617 -38.786 20.660 1.00 63.24 ATOM 1506 HA PHE 96 9.677 -39.460 19.814 1.00 0.03 ATOM 1507 CB PHE 96 10.471 -37.552 20.359 1.00 74.22 ATOM 1508 HB1 PHE 96 10.054 -37.040 19.502 1.00 37.53 ATOM 1509 HB2 PHE 96 11.476 -37.873 20.117 1.00 51.31 ATOM 1510 CG PHE 96 10.539 -36.578 21.500 1.00 21.11 ATOM 1511 CD1 PHE 96 9.455 -35.772 21.806 1.00 34.14 ATOM 1512 HD1 PHE 96 8.550 -35.848 21.220 1.00 12.42 ATOM 1513 CD2 PHE 96 11.688 -36.468 22.266 1.00 24.22 ATOM 1514 HD2 PHE 96 12.537 -37.081 22.034 1.00 4.05 ATOM 1515 CE1 PHE 96 9.514 -34.875 22.856 1.00 2.12 ATOM 1516 HE1 PHE 96 8.662 -34.252 23.084 1.00 73.34 ATOM 1517 CE2 PHE 96 11.754 -35.573 23.317 1.00 33.24 ATOM 1518 HE2 PHE 96 12.646 -35.500 23.907 1.00 43.44 ATOM 1519 CZ PHE 96 10.666 -34.775 23.612 1.00 52.20 ATOM 1520 HZ PHE 96 10.715 -34.075 24.433 1.00 63.11 ATOM 1521 C PHE 96 10.172 -39.518 21.878 1.00 5.43 ATOM 1522 O PHE 96 9.526 -39.584 22.924 1.00 53.13 ATOM 1523 N ASP 97 11.374 -40.065 21.735 1.00 21.41 ATOM 1524 HN ASP 97 11.852 -39.964 20.877 1.00 37.53 ATOM 1525 CA ASP 97 12.018 -40.792 22.823 1.00 32.04 ATOM 1526 HA ASP 97 11.245 -41.283 23.410 1.00 12.35 ATOM 1527 CB ASP 97 12.969 -41.851 22.265 1.00 24.32 ATOM 1528 HB1 ASP 97 13.853 -41.927 22.887 1.00 37.53 ATOM 1529 HB2 ASP 97 13.269 -41.584 21.265 1.00 61.40 ATOM 1530 CG ASP 97 12.331 -43.225 22.197 1.00 1.21 ATOM 1531 OD1 ASP 97 11.578 -43.481 21.235 1.00 34.21 ATOM 1532 OD2 ASP 97 12.584 -44.043 23.106 1.00 4.13 ATOM 1533 C ASP 97 12.779 -39.838 23.738 1.00 2.23 ATOM 1534 O ASP 97 13.347 -38.846 23.282 1.00 10.24 ATOM 1535 N ALA 98 12.785 -40.145 25.031 1.00 4.34 ATOM 1536 HN ALA 98 12.319 -40.961 25.336 1.00 37.53 ATOM 1537 CA ALA 98 13.477 -39.315 26.010 1.00 24.30 ATOM 1538 HA ALA 98 13.232 -38.282 25.815 1.00 31.45 ATOM 1539 CB ALA 98 13.005 -39.653 27.416 1.00 21.14 ATOM 1540 HB1 ALA 98 13.510 -39.021 28.133 1.00 2.35 ATOM 1541 HB2 ALA 98 13.224 -40.689 27.633 1.00 33.01 ATOM 1542 HB3 ALA 98 11.939 -39.491 27.484 1.00 72.41 ATOM 1543 C ALA 98 14.989 -39.485 25.903 1.00 50.25 ATOM 1544 O ALA 98 15.751 -38.593 26.274 1.00 31.44 ATOM 1545 N ASN 99 15.416 -40.635 25.392 1.00 30.31 ATOM 1546 HN ASN 99 14.765 -41.287 25.083 1.00 37.53 ATOM 1547 CA ASN 99 16.837 -40.922 25.237 1.00 5.01 ATOM 1548 HA ASN 99 17.311 -40.815 26.204 1.00 12.21 ATOM 1549 CB ASN 99 17.039 -42.357 24.746 1.00 1.01 ATOM 1550 HB1 ASN 99 18.099 -42.560 24.665 1.00 37.53 ATOM 1551 HB2 ASN 99 16.581 -42.471 23.772 1.00 15.45 ATOM 1552 CG ASN 99 16.432 -43.380 25.686 1.00 74.31 ATOM 1553 OD1 ASN 99 17.114 -43.923 26.556 1.00 55.52 ATOM 1554 ND2 ASN 99 15.143 -43.649 25.514 1.00 34.42 ATOM 1555 HD21 ASN 99 14.647 -43.197 24.798 1.00 62.23 ATOM 1556 HD22 ASN 99 14.731 -44.300 26.120 1.00 2.35 ATOM 1557 C ASN 99 17.487 -39.943 24.263 1.00 33.41 ATOM 1558 O ASN 99 18.483 -39.297 24.588 1.00 14.22 ATOM 1559 N ASP 100 16.915 -39.840 23.068 1.00 3.13 ATOM 1560 HN ASP 100 16.128 -40.400 22.865 1.00 37.53 ATOM 1561 CA ASP 100 17.437 -38.939 22.047 1.00 73.11 ATOM 1562 HA ASP 100 18.428 -39.277 21.778 1.00 25.52 ATOM 1563 CB ASP 100 16.547 -38.975 20.803 1.00 45.20 ATOM 1564 HB1 ASP 100 16.580 -39.965 20.371 1.00 37.53 ATOM 1565 HB2 ASP 100 16.909 -38.262 20.086 1.00 72.22 ATOM 1566 CG ASP 100 15.104 -38.630 21.113 1.00 1.21 ATOM 1567 OD1 ASP 100 14.233 -39.505 20.929 1.00 12.03 ATOM 1568 OD2 ASP 100 14.846 -37.484 21.539 1.00 73.33 ATOM 1569 C ASP 100 17.532 -37.512 22.578 1.00 24.32 ATOM 1570 O ASP 100 18.350 -36.718 22.112 1.00 65.32 ATOM 1571 N LEU 101 16.691 -37.193 23.555 1.00 10.32 ATOM 1572 HN LEU 101 16.023 -37.843 23.866 1.00 37.53 ATOM 1573 CA LEU 101 16.680 -35.861 24.150 1.00 55.31 ATOM 1574 HA LEU 101 16.929 -35.136 23.384 1.00 54.42 ATOM 1575 CB LEU 101 15.286 -35.534 24.690 1.00 3.13 ATOM 1576 HB1 LEU 101 14.910 -36.410 25.203 1.00 37.53 ATOM 1577 HB2 LEU 101 14.652 -35.339 23.851 1.00 65.32 ATOM 1578 CG LEU 101 15.201 -34.350 25.654 1.00 52.42 ATOM 1579 HG LEU 101 15.732 -34.587 26.565 1.00 65.12 ATOM 1580 CD1 LEU 101 15.844 -33.115 25.041 1.00 63.50 ATOM 1581 HD11 LEU 101 15.917 -32.354 25.799 1.00 70.51 ATOM 1582 HD12 LEU 101 15.233 -32.751 24.237 1.00 21.55 ATOM 1583 HD13 LEU 101 16.824 -33.320 24.662 1.00 30.12 ATOM 1584 CD2 LEU 101 13.752 -34.069 26.027 1.00 44.25 ATOM 1585 HD21 LEU 101 13.714 -33.279 26.764 1.00 3.05 ATOM 1586 HD22 LEU 101 13.310 -34.957 26.436 1.00 32.33 ATOM 1587 HD23 LEU 101 13.200 -33.766 25.148 1.00 64.43 ATOM 1588 C LEU 101 17.709 -35.756 25.270 1.00 4.41 ATOM 1589 O LEU 101 18.373 -34.730 25.423 1.00 41.12 ATOM 1590 N TYR 102 17.839 -36.823 26.050 1.00 72.34 ATOM 1591 HN TYR 102 17.278 -37.617 25.887 1.00 37.53 ATOM 1592 CA TYR 102 18.788 -36.851 27.156 1.00 30.41 ATOM 1593 HA TYR 102 18.646 -35.950 27.741 1.00 23.21 ATOM 1594 CB TYR 102 18.531 -38.069 28.046 1.00 53.14 ATOM 1595 HB1 TYR 102 18.815 -38.971 27.515 1.00 37.53 ATOM 1596 HB2 TYR 102 17.474 -38.115 28.270 1.00 23.20 ATOM 1597 CG TYR 102 19.271 -38.023 29.363 1.00 30.52 ATOM 1598 CD1 TYR 102 19.112 -36.953 30.235 1.00 44.02 ATOM 1599 HD1 TYR 102 18.442 -36.153 29.965 1.00 42.45 ATOM 1600 CD2 TYR 102 20.130 -39.050 29.736 1.00 35.11 ATOM 1601 HD2 TYR 102 20.268 -39.892 29.071 1.00 10.52 ATOM 1602 CE1 TYR 102 19.787 -36.907 31.439 1.00 2.34 ATOM 1603 HE1 TYR 102 19.662 -36.074 32.099 1.00 30.20 ATOM 1604 CE2 TYR 102 20.807 -39.013 30.939 1.00 1.03 ATOM 1605 HE2 TYR 102 21.474 -39.816 31.199 1.00 72.13 ATOM 1606 CZ TYR 102 20.633 -37.939 31.787 1.00 31.24 ATOM 1607 OH TYR 102 21.307 -37.898 32.986 1.00 3.22 ATOM 1608 HH TYR 102 22.237 -37.707 32.832 1.00 10.34 ATOM 1609 C TYR 102 20.224 -36.878 26.642 1.00 50.25 ATOM 1610 O TYR 102 21.056 -36.068 27.051 1.00 73.34 ATOM 1611 N GLN 103 20.506 -37.814 25.741 1.00 32.23 ATOM 1612 HN GLN 103 19.795 -38.428 25.444 1.00 37.53 ATOM 1613 CA GLN 103 21.841 -37.947 25.170 1.00 11.12 ATOM 1614 HA GLN 103 22.571 -37.752 25.949 1.00 63.41 ATOM 1615 CB GLN 103 22.054 -39.367 24.643 1.00 2.10 ATOM 1616 HB1 GLN 103 22.971 -39.411 24.066 1.00 37.53 ATOM 1617 HB2 GLN 103 21.224 -39.615 24.000 1.00 51.41 ATOM 1618 CG GLN 103 22.114 -40.420 25.738 1.00 42.31 ATOM 1619 HG1 GLN 103 21.944 -41.388 25.289 1.00 37.53 ATOM 1620 HG2 GLN 103 21.334 -40.224 26.463 1.00 61.01 ATOM 1621 CD GLN 103 23.454 -40.450 26.446 1.00 44.03 ATOM 1622 OE1 GLN 103 24.499 -40.235 25.831 1.00 63.04 ATOM 1623 NE2 GLN 103 23.432 -40.718 27.746 1.00 14.41 ATOM 1624 HE21 GLN 103 22.568 -40.882 28.187 1.00 41.34 ATOM 1625 HE22 GLN 103 24.289 -40.742 28.221 1.00 22.32 ATOM 1626 C GLN 103 22.055 -36.937 24.047 1.00 24.34 ATOM 1627 O GLN 103 23.189 -36.649 23.667 1.00 41.51 ATOM 1628 N GLY 104 20.958 -36.404 23.520 1.00 14.51 ATOM 1629 HN GLY 104 20.069 -36.670 23.835 1.00 37.53 ATOM 1630 CA GLY 104 21.047 -35.432 22.446 1.00 65.45 ATOM 1631 HA1 GLY 104 21.817 -34.705 22.674 1.00 37.53 ATOM 1632 HA2 GLY 104 20.100 -34.918 22.369 1.00 2.13 ATOM 1633 C GLY 104 21.359 -36.074 21.108 1.00 24.53 ATOM 1634 O GLY 104 21.866 -35.416 20.200 1.00 21.14 ATOM 1635 N GLN 105 21.058 -37.363 20.988 1.00 73.23 ATOM 1636 HN GLN 105 20.597 -37.821 21.724 1.00 37.53 ATOM 1637 CA GLN 105 21.312 -38.094 19.752 1.00 32.40 ATOM 1638 HA GLN 105 22.361 -37.991 19.508 1.00 52.44 ATOM 1639 CB GLN 105 20.995 -39.579 19.939 1.00 60.22 ATOM 1640 HB1 GLN 105 21.277 -40.117 19.043 1.00 37.53 ATOM 1641 HB2 GLN 105 19.930 -39.695 20.094 1.00 13.04 ATOM 1642 CG GLN 105 21.704 -40.208 21.127 1.00 3.24 ATOM 1643 HG1 GLN 105 21.222 -41.149 21.352 1.00 37.53 ATOM 1644 HG2 GLN 105 21.621 -39.564 21.978 1.00 23.50 ATOM 1645 CD GLN 105 23.175 -40.460 20.862 1.00 24.43 ATOM 1646 OE1 GLN 105 23.978 -39.528 20.814 1.00 24.23 ATOM 1647 NE2 GLN 105 23.537 -41.726 20.689 1.00 60.25 ATOM 1648 HE21 GLN 105 22.854 -42.433 20.738 1.00 5.32 ATOM 1649 HE22 GLN 105 24.484 -41.908 20.517 1.00 62.21 ATOM 1650 C GLN 105 20.485 -37.526 18.604 1.00 74.45 ATOM 1651 O GLN 105 21.030 -37.071 17.599 1.00 32.21 ATOM 1652 N ASN 106 19.165 -37.557 18.760 1.00 60.05 ATOM 1653 HN ASN 106 18.786 -37.916 19.586 1.00 37.53 ATOM 1654 CA ASN 106 18.262 -37.046 17.735 1.00 42.14 ATOM 1655 HA ASN 106 18.841 -36.710 16.880 1.00 34.01 ATOM 1656 CB ASN 106 17.315 -38.151 17.263 1.00 52.21 ATOM 1657 HB1 ASN 106 16.666 -37.754 16.502 1.00 37.53 ATOM 1658 HB2 ASN 106 16.721 -38.504 18.086 1.00 63.01 ATOM 1659 CG ASN 106 18.056 -39.331 16.665 1.00 74.30 ATOM 1660 OD1 ASN 106 19.286 -39.353 16.629 1.00 11.32 ATOM 1661 ND2 ASN 106 17.307 -40.321 16.192 1.00 42.04 ATOM 1662 HD21 ASN 106 16.334 -40.252 16.243 1.00 72.54 ATOM 1663 HD22 ASN 106 17.768 -41.094 15.805 1.00 3.21 ATOM 1664 C ASN 106 17.458 -35.861 18.260 1.00 13.12 ATOM 1665 O ASN 106 16.379 -36.032 18.828 1.00 31.13 ATOM 1666 N PHE 107 17.990 -34.659 18.066 1.00 52.20 ATOM 1667 HN PHE 107 18.854 -34.584 17.594 1.00 37.53 ATOM 1668 CA PHE 107 17.322 -33.445 18.520 1.00 1.45 ATOM 1669 HA PHE 107 16.965 -33.611 19.530 1.00 64.10 ATOM 1670 CB PHE 107 18.304 -32.271 18.533 1.00 22.45 ATOM 1671 HB1 PHE 107 18.630 -32.067 17.520 1.00 37.53 ATOM 1672 HB2 PHE 107 19.163 -32.547 19.128 1.00 3.51 ATOM 1673 CG PHE 107 17.729 -31.015 19.122 1.00 3.12 ATOM 1674 CD1 PHE 107 17.258 -30.997 20.425 1.00 24.12 ATOM 1675 HD1 PHE 107 17.305 -31.897 21.023 1.00 5.11 ATOM 1676 CD2 PHE 107 17.660 -29.852 18.373 1.00 43.51 ATOM 1677 HD2 PHE 107 18.023 -29.850 17.354 1.00 32.11 ATOM 1678 CE1 PHE 107 16.728 -29.842 20.969 1.00 62.41 ATOM 1679 HE1 PHE 107 16.364 -29.841 21.986 1.00 60.22 ATOM 1680 CE2 PHE 107 17.131 -28.694 18.911 1.00 5.55 ATOM 1681 HE2 PHE 107 17.079 -27.797 18.315 1.00 3.44 ATOM 1682 CZ PHE 107 16.666 -28.689 20.212 1.00 52.14 ATOM 1683 HZ PHE 107 16.245 -27.796 20.623 1.00 13.41 ATOM 1684 C PHE 107 16.129 -33.114 17.629 1.00 51.13 ATOM 1685 O PHE 107 15.178 -32.465 18.062 1.00 51.10 ATOM 1686 N ASN 108 16.188 -33.565 16.380 1.00 60.01 ATOM 1687 HN ASN 108 16.982 -34.061 16.075 1.00 37.53 ATOM 1688 CA ASN 108 15.113 -33.316 15.426 1.00 64.52 ATOM 1689 HA ASN 108 15.048 -32.249 15.266 1.00 22.43 ATOM 1690 CB ASN 108 15.420 -33.999 14.091 1.00 20.33 ATOM 1691 HB1 ASN 108 16.438 -33.773 13.807 1.00 37.53 ATOM 1692 HB2 ASN 108 14.751 -33.613 13.335 1.00 33.13 ATOM 1693 CG ASN 108 15.269 -35.506 14.165 1.00 75.42 ATOM 1694 OD1 ASN 108 16.125 -36.202 14.712 1.00 53.40 ATOM 1695 ND2 ASN 108 14.175 -36.019 13.612 1.00 42.41 ATOM 1696 HD21 ASN 108 13.523 -35.416 13.188 1.00 23.24 ATOM 1697 HD22 ASN 108 14.060 -36.991 13.650 1.00 74.14 ATOM 1698 C ASN 108 13.777 -33.814 15.969 1.00 25.13 ATOM 1699 O ASN 108 12.738 -33.189 15.760 1.00 14.24 ATOM 1700 N LYS 109 13.813 -34.943 16.668 1.00 22.44 ATOM 1701 HN LYS 109 14.679 -35.377 16.833 1.00 37.53 ATOM 1702 CA LYS 109 12.607 -35.526 17.245 1.00 50.34 ATOM 1703 HA LYS 109 11.873 -35.635 16.457 1.00 73.54 ATOM 1704 CB LYS 109 12.911 -36.908 17.827 1.00 40.12 ATOM 1705 HB1 LYS 109 11.973 -37.382 18.075 1.00 37.53 ATOM 1706 HB2 LYS 109 13.503 -36.799 18.727 1.00 75.04 ATOM 1707 CG LYS 109 13.668 -37.816 16.873 1.00 32.55 ATOM 1708 HG1 LYS 109 14.674 -37.453 16.784 1.00 37.53 ATOM 1709 HG2 LYS 109 13.194 -37.788 15.899 1.00 25.14 ATOM 1710 CD LYS 109 13.714 -39.247 17.385 1.00 41.42 ATOM 1711 HD1 LYS 109 13.562 -39.262 18.458 1.00 37.53 ATOM 1712 HD2 LYS 109 14.679 -39.659 17.163 1.00 70.53 ATOM 1713 CE LYS 109 12.653 -40.111 16.720 1.00 3.33 ATOM 1714 HE1 LYS 109 13.068 -40.533 15.817 1.00 37.53 ATOM 1715 HE2 LYS 109 11.791 -39.505 16.470 1.00 72.33 ATOM 1716 NZ LYS 109 12.206 -41.220 17.607 1.00 20.13 ATOM 1717 HZ1 LYS 109 11.798 -40.839 18.486 1.00 52.44 ATOM 1718 HZ2 LYS 109 13.009 -41.837 17.849 1.00 32.01 ATOM 1719 HZ3 LYS 109 11.483 -41.790 17.124 1.00 64.11 ATOM 1720 C LYS 109 12.031 -34.621 18.329 1.00 34.11 ATOM 1721 O LYS 109 10.816 -34.441 18.421 1.00 43.35 ATOM 1722 N VAL 110 12.910 -34.053 19.149 1.00 72.23 ATOM 1723 HN VAL 110 13.869 -34.209 19.002 1.00 37.53 ATOM 1724 CA VAL 110 12.488 -33.165 20.225 1.00 23.14 ATOM 1725 HA VAL 110 11.740 -33.684 20.815 1.00 54.14 ATOM 1726 CB VAL 110 13.667 -32.802 21.148 1.00 63.14 ATOM 1727 HB VAL 110 14.354 -32.167 20.603 1.00 52.43 ATOM 1728 CG1 VAL 110 13.176 -32.033 22.365 1.00 64.32 ATOM 1729 HG11 VAL 110 14.019 -31.748 22.972 1.00 11.01 ATOM 1730 HG12 VAL 110 12.510 -32.655 22.946 1.00 52.23 ATOM 1731 HG13 VAL 110 12.652 -31.140 22.056 1.00 34.03 ATOM 1732 CG2 VAL 110 14.421 -34.055 21.567 1.00 72.44 ATOM 1733 HG21 VAL 110 15.143 -33.809 22.334 1.00 63.40 ATOM 1734 HG22 VAL 110 14.947 -34.460 20.718 1.00 4.51 ATOM 1735 HG23 VAL 110 13.745 -34.787 21.941 1.00 15.31 ATOM 1736 C VAL 110 11.876 -31.883 19.672 1.00 5.23 ATOM 1737 O VAL 110 10.745 -31.528 20.005 1.00 12.00 ATOM 1738 N LEU 111 12.631 -31.191 18.826 1.00 62.22 ATOM 1739 HN LEU 111 13.532 -31.528 18.601 1.00 37.53 ATOM 1740 CA LEU 111 12.163 -29.947 18.225 1.00 44.03 ATOM 1741 HA LEU 111 12.060 -29.220 19.018 1.00 24.31 ATOM 1742 CB LEU 111 13.176 -29.443 17.195 1.00 2.42 ATOM 1743 HB1 LEU 111 12.922 -29.862 16.227 1.00 37.53 ATOM 1744 HB2 LEU 111 14.157 -29.817 17.466 1.00 34.31 ATOM 1745 CG LEU 111 13.282 -27.924 17.046 1.00 61.51 ATOM 1746 HG LEU 111 12.293 -27.514 16.898 1.00 54.34 ATOM 1747 CD1 LEU 111 13.864 -27.303 18.306 1.00 65.40 ATOM 1748 HD11 LEU 111 13.912 -28.032 19.105 1.00 71.22 ATOM 1749 HD12 LEU 111 13.228 -26.495 18.621 1.00 51.33 ATOM 1750 HD13 LEU 111 14.858 -26.922 18.122 1.00 53.32 ATOM 1751 CD2 LEU 111 14.127 -27.566 15.832 1.00 3.44 ATOM 1752 HD21 LEU 111 13.682 -27.991 14.943 1.00 42.33 ATOM 1753 HD22 LEU 111 15.127 -27.958 15.954 1.00 73.34 ATOM 1754 HD23 LEU 111 14.174 -26.492 15.727 1.00 44.34 ATOM 1755 C LEU 111 10.802 -30.140 17.564 1.00 43.43 ATOM 1756 O LEU 111 9.865 -29.383 17.818 1.00 30.42 ATOM 1757 N SER 112 10.701 -31.158 16.716 1.00 51.04 ATOM 1758 HN SER 112 11.490 -31.728 16.551 1.00 37.53 ATOM 1759 CA SER 112 9.455 -31.449 16.017 1.00 73.53 ATOM 1760 HA SER 112 9.259 -30.636 15.333 1.00 73.34 ATOM 1761 CB SER 112 9.584 -32.749 15.220 1.00 61.11 ATOM 1762 HB1 SER 112 10.175 -33.461 15.780 1.00 37.53 ATOM 1763 HB2 SER 112 10.069 -32.544 14.277 1.00 45.25 ATOM 1764 OG SER 112 8.312 -33.320 14.965 1.00 3.20 ATOM 1765 HG SER 112 7.900 -32.873 14.221 1.00 31.31 ATOM 1766 C SER 112 8.293 -31.556 17.000 1.00 53.24 ATOM 1767 O SER 112 7.203 -31.041 16.748 1.00 62.22 ATOM 1768 N SER 113 8.534 -32.228 18.121 1.00 51.41 ATOM 1769 HN SER 113 9.424 -32.628 18.266 1.00 37.53 ATOM 1770 CA SER 113 7.507 -32.406 19.141 1.00 3.21 ATOM 1771 HA SER 113 6.669 -32.920 18.690 1.00 53.43 ATOM 1772 CB SER 113 8.045 -33.257 20.293 1.00 63.12 ATOM 1773 HB1 SER 113 8.792 -32.705 20.845 1.00 37.53 ATOM 1774 HB2 SER 113 8.490 -34.148 19.883 1.00 12.31 ATOM 1775 OG SER 113 7.005 -33.634 21.178 1.00 53.30 ATOM 1776 HG SER 113 6.811 -32.908 21.776 1.00 73.20 ATOM 1777 C SER 113 7.028 -31.058 19.671 1.00 43.41 ATOM 1778 O SER 113 5.828 -30.782 19.707 1.00 62.32 ATOM 1779 N LEU 114 7.974 -30.221 20.082 1.00 45.55 ATOM 1780 HN LEU 114 8.917 -30.494 20.003 1.00 37.53 ATOM 1781 CA LEU 114 7.651 -28.900 20.610 1.00 11.10 ATOM 1782 HA LEU 114 6.989 -29.027 21.455 1.00 11.51 ATOM 1783 CB LEU 114 8.923 -28.191 21.079 1.00 53.10 ATOM 1784 HB1 LEU 114 8.628 -27.276 21.577 1.00 37.53 ATOM 1785 HB2 LEU 114 9.511 -27.931 20.206 1.00 51.05 ATOM 1786 CG LEU 114 9.822 -28.984 22.029 1.00 53.45 ATOM 1787 HG LEU 114 10.227 -29.832 21.514 1.00 25.35 ATOM 1788 CD1 LEU 114 10.990 -28.129 22.495 1.00 21.21 ATOM 1789 HD11 LEU 114 10.625 -27.196 22.905 1.00 61.12 ATOM 1790 HD12 LEU 114 11.642 -27.926 21.660 1.00 11.33 ATOM 1791 HD13 LEU 114 11.540 -28.659 23.252 1.00 24.23 ATOM 1792 CD2 LEU 114 9.022 -29.493 23.219 1.00 63.01 ATOM 1793 HD21 LEU 114 8.258 -30.178 22.882 1.00 65.32 ATOM 1794 HD22 LEU 114 8.559 -28.661 23.731 1.00 64.44 ATOM 1795 HD23 LEU 114 9.681 -30.010 23.904 1.00 41.32 ATOM 1796 C LEU 114 6.940 -28.052 19.560 1.00 64.13 ATOM 1797 O LEU 114 6.038 -27.277 19.878 1.00 22.55 ATOM 1798 N VAL 115 7.352 -28.206 18.305 1.00 11.11 ATOM 1799 HN VAL 115 8.080 -28.840 18.105 1.00 37.53 ATOM 1800 CA VAL 115 6.753 -27.457 17.207 1.00 73.22 ATOM 1801 HA VAL 115 6.707 -26.411 17.492 1.00 62.13 ATOM 1802 CB VAL 115 7.599 -27.569 15.924 1.00 15.44 ATOM 1803 HB VAL 115 7.633 -28.607 15.622 1.00 74.15 ATOM 1804 CG1 VAL 115 6.967 -26.766 14.797 1.00 63.21 ATOM 1805 HG11 VAL 115 7.649 -26.718 13.957 1.00 0.11 ATOM 1806 HG12 VAL 115 6.751 -25.762 15.135 1.00 0.21 ATOM 1807 HG13 VAL 115 6.053 -27.241 14.475 1.00 20.41 ATOM 1808 CG2 VAL 115 9.024 -27.107 16.185 1.00 2.42 ATOM 1809 HG21 VAL 115 9.295 -27.233 17.219 1.00 41.33 ATOM 1810 HG22 VAL 115 9.130 -26.060 15.929 1.00 4.15 ATOM 1811 HG23 VAL 115 9.698 -27.687 15.572 1.00 11.42 ATOM 1812 C VAL 115 5.339 -27.947 16.914 1.00 21.54 ATOM 1813 O VAL 115 4.505 -27.202 16.398 1.00 64.51 ATOM 1814 N THR 116 5.074 -29.207 17.248 1.00 3.24 ATOM 1815 HN THR 116 5.775 -29.767 17.643 1.00 37.53 ATOM 1816 CA THR 116 3.762 -29.798 17.021 1.00 14.23 ATOM 1817 HA THR 116 3.366 -29.412 16.087 1.00 14.15 ATOM 1818 CB THR 116 3.849 -31.331 16.901 1.00 41.13 ATOM 1819 HB THR 116 4.274 -31.728 17.813 1.00 50.02 ATOM 1820 OG1 THR 116 4.692 -31.688 15.800 1.00 24.40 ATOM 1821 HG1 THR 116 5.611 -31.648 16.072 1.00 31.44 ATOM 1822 CG2 THR 116 2.468 -31.938 16.706 1.00 71.11 ATOM 1823 HG21 THR 116 1.927 -31.927 17.641 1.00 31.34 ATOM 1824 HG22 THR 116 2.575 -32.959 16.371 1.00 42.11 ATOM 1825 HG23 THR 116 1.916 -31.377 15.962 1.00 53.03 ATOM 1826 C THR 116 2.796 -29.442 18.146 1.00 24.24 ATOM 1827 O THR 116 1.651 -29.062 17.899 1.00 61.51 ATOM 1828 N LEU 117 3.265 -29.567 19.383 1.00 3.31 ATOM 1829 HN LEU 117 4.188 -29.889 19.521 1.00 37.53 ATOM 1830 CA LEU 117 2.443 -29.257 20.548 1.00 61.32 ATOM 1831 HA LEU 117 1.634 -29.966 20.581 1.00 11.21 ATOM 1832 CB LEU 117 3.266 -29.398 21.829 1.00 21.35 ATOM 1833 HB1 LEU 117 4.196 -28.863 21.686 1.00 37.53 ATOM 1834 HB2 LEU 117 3.496 -30.447 21.962 1.00 33.22 ATOM 1835 CG LEU 117 2.609 -28.879 23.109 1.00 24.52 ATOM 1836 HG LEU 117 2.402 -27.824 23.011 1.00 64.55 ATOM 1837 CD1 LEU 117 1.288 -29.590 23.357 1.00 53.22 ATOM 1838 HD11 LEU 117 1.456 -30.656 23.421 1.00 32.32 ATOM 1839 HD12 LEU 117 0.602 -29.386 22.552 1.00 71.31 ATOM 1840 HD13 LEU 117 0.857 -29.244 24.284 1.00 12.24 ATOM 1841 CD2 LEU 117 3.543 -29.057 24.298 1.00 42.14 ATOM 1842 HD21 LEU 117 4.571 -28.903 23.998 1.00 51.01 ATOM 1843 HD22 LEU 117 3.430 -30.049 24.700 1.00 55.12 ATOM 1844 HD23 LEU 117 3.282 -28.337 25.055 1.00 20.01 ATOM 1845 C LEU 117 1.870 -27.847 20.451 1.00 72.25 ATOM 1846 O LEU 117 0.800 -27.563 20.988 1.00 62.13 ATOM 1847 N ASN 118 2.588 -26.968 19.759 1.00 24.25 ATOM 1848 HN ASN 118 3.458 -27.229 19.382 1.00 37.53 ATOM 1849 CA ASN 118 2.150 -25.587 19.590 1.00 21.51 ATOM 1850 HA ASN 118 1.707 -25.249 20.520 1.00 62.34 ATOM 1851 CB ASN 118 3.344 -24.688 19.265 1.00 2.32 ATOM 1852 HB1 ASN 118 3.861 -25.086 18.404 1.00 37.53 ATOM 1853 HB2 ASN 118 4.018 -24.675 20.109 1.00 34.45 ATOM 1854 CG ASN 118 2.927 -23.262 18.958 1.00 25.31 ATOM 1855 OD1 ASN 118 2.859 -22.860 17.796 1.00 21.45 ATOM 1856 ND2 ASN 118 2.647 -22.490 20.001 1.00 33.45 ATOM 1857 HD21 ASN 118 2.699 -22.868 20.884 1.00 61.05 ATOM 1858 HD22 ASN 118 2.397 -21.558 19.828 1.00 50.43 ATOM 1859 C ASN 118 1.103 -25.481 18.485 1.00 2.34 ATOM 1860 O ASN 118 0.069 -24.835 18.655 1.00 12.11 ATOM 1861 N LYS 119 1.379 -26.119 17.353 1.00 33.12 ATOM 1862 HN LYS 119 2.228 -26.616 17.272 1.00 37.53 ATOM 1863 CA LYS 119 0.461 -26.099 16.220 1.00 2.31 ATOM 1864 HA LYS 119 0.265 -25.065 15.963 1.00 23.12 ATOM 1865 CB LYS 119 1.088 -26.808 15.017 1.00 13.04 ATOM 1866 HB1 LYS 119 0.304 -27.152 14.351 1.00 37.53 ATOM 1867 HB2 LYS 119 1.638 -27.670 15.374 1.00 41.32 ATOM 1868 CG LYS 119 2.021 -25.924 14.208 1.00 13.11 ATOM 1869 HG1 LYS 119 2.533 -25.238 14.871 1.00 37.53 ATOM 1870 HG2 LYS 119 1.439 -25.361 13.492 1.00 34.43 ATOM 1871 CD LYS 119 3.063 -26.744 13.466 1.00 34.33 ATOM 1872 HD1 LYS 119 3.620 -27.339 14.172 1.00 37.53 ATOM 1873 HD2 LYS 119 3.735 -26.070 12.955 1.00 23.00 ATOM 1874 CE LYS 119 2.420 -27.668 12.444 1.00 74.54 ATOM 1875 HE1 LYS 119 1.568 -27.174 11.993 1.00 37.53 ATOM 1876 HE2 LYS 119 2.088 -28.563 12.947 1.00 40.04 ATOM 1877 NZ LYS 119 3.372 -28.049 11.364 1.00 21.31 ATOM 1878 HZ1 LYS 119 4.195 -28.546 11.765 1.00 73.25 ATOM 1879 HZ2 LYS 119 3.704 -27.202 10.858 1.00 31.12 ATOM 1880 HZ3 LYS 119 2.902 -28.679 10.683 1.00 54.22 ATOM 1881 C LYS 119 -0.864 -26.762 16.581 1.00 11.01 ATOM 1882 O LYS 119 -1.935 -26.209 16.331 1.00 51.21 ATOM 1883 N VAL 120 -0.785 -27.950 17.172 1.00 65.10 ATOM 1884 HN VAL 120 0.101 -28.346 17.326 1.00 37.53 ATOM 1885 CA VAL 120 -1.978 -28.687 17.570 1.00 63.41 ATOM 1886 HA VAL 120 -2.551 -28.910 16.678 1.00 72.51 ATOM 1887 CB VAL 120 -1.613 -30.016 18.259 1.00 41.21 ATOM 1888 HB VAL 120 -2.526 -30.509 18.542 1.00 62.23 ATOM 1889 CG1 VAL 120 -0.872 -30.931 17.296 1.00 30.01 ATOM 1890 HG11 VAL 120 0.020 -30.451 16.937 1.00 74.03 ATOM 1891 HG12 VAL 120 -1.513 -31.161 16.457 1.00 31.22 ATOM 1892 HG13 VAL 120 -0.607 -31.851 17.800 1.00 11.11 ATOM 1893 CG2 VAL 120 -0.783 -29.758 19.507 1.00 1.53 ATOM 1894 HG21 VAL 120 -1.410 -29.340 20.278 1.00 44.23 ATOM 1895 HG22 VAL 120 -0.003 -29.078 19.289 1.00 0.22 ATOM 1896 HG23 VAL 120 -0.359 -30.686 19.868 1.00 0.20 ATOM 1897 C VAL 120 -2.846 -27.861 18.512 1.00 40.33 ATOM 1898 O VAL 120 -4.074 -27.944 18.476 1.00 12.04 ATOM 1899 N THR 121 -2.200 -27.061 19.355 1.00 61.13 ATOM 1900 HN THR 121 -1.215 -27.030 19.346 1.00 37.53 ATOM 1901 CA THR 121 -2.912 -26.219 20.307 1.00 13.12 ATOM 1902 HA THR 121 -3.776 -26.765 20.675 1.00 74.12 ATOM 1903 CB THR 121 -2.021 -25.853 21.509 1.00 15.33 ATOM 1904 HB THR 121 -2.471 -25.028 22.051 1.00 45.21 ATOM 1905 OG1 THR 121 -0.723 -25.455 21.054 1.00 74.11 ATOM 1906 HG1 THR 121 -0.750 -24.541 20.761 1.00 30.10 ATOM 1907 CG2 THR 121 -1.891 -27.029 22.465 1.00 61.45 ATOM 1908 HG21 THR 121 -2.346 -26.769 23.409 1.00 1.31 ATOM 1909 HG22 THR 121 -0.853 -27.257 22.626 1.00 20.45 ATOM 1910 HG23 THR 121 -2.385 -27.906 22.065 1.00 62.12 ATOM 1911 C THR 121 -3.406 -24.937 19.646 1.00 31.20 ATOM 1912 O THR 121 -4.394 -24.345 20.079 1.00 1.12 ATOM 1913 N ALA 122 -2.713 -24.515 18.594 1.00 4.50 ATOM 1914 HN ALA 122 -1.910 -25.001 18.313 1.00 37.53 ATOM 1915 CA ALA 122 -3.083 -23.304 17.871 1.00 22.13 ATOM 1916 HA ALA 122 -2.991 -22.466 18.549 1.00 4.53 ATOM 1917 CB ALA 122 -2.132 -23.073 16.706 1.00 22.32 ATOM 1918 HB1 ALA 122 -1.113 -23.114 17.062 1.00 41.15 ATOM 1919 HB2 ALA 122 -2.321 -22.101 16.276 1.00 12.41 ATOM 1920 HB3 ALA 122 -2.279 -23.832 15.952 1.00 25.22 ATOM 1921 C ALA 122 -4.523 -23.380 17.374 1.00 25.04 ATOM 1922 O ALA 122 -5.246 -22.384 17.384 1.00 10.13 ATOM 1923 N ASP 123 -4.932 -24.567 16.940 1.00 44.10 ATOM 1924 HN ASP 123 -4.307 -25.330 16.945 1.00 37.53 ATOM 1925 CA ASP 123 -6.286 -24.773 16.439 1.00 3.32 ATOM 1926 HA ASP 123 -6.492 -23.996 15.710 1.00 33.14 ATOM 1927 CB ASP 123 -6.400 -26.140 15.764 1.00 71.05 ATOM 1928 HB1 ASP 123 -6.599 -26.906 16.504 1.00 37.53 ATOM 1929 HB2 ASP 123 -5.466 -26.369 15.269 1.00 74.51 ATOM 1930 CG ASP 123 -7.501 -26.181 14.722 1.00 12.13 ATOM 1931 OD1 ASP 123 -8.680 -26.326 15.110 1.00 63.31 ATOM 1932 OD2 ASP 123 -7.185 -26.067 13.520 1.00 43.41 ATOM 1933 C ASP 123 -7.305 -24.663 17.569 1.00 53.34 ATOM 1934 O ASP 123 -8.447 -24.257 17.350 1.00 72.45 ATOM 1935 N ILE 124 -6.885 -25.027 18.775 1.00 13.14 ATOM 1936 HN ILE 124 -5.959 -25.318 18.895 1.00 37.53 ATOM 1937 CA ILE 124 -7.762 -24.969 19.938 1.00 10.05 ATOM 1938 HA ILE 124 -8.717 -25.407 19.664 1.00 10.42 ATOM 1939 CB ILE 124 -7.185 -25.771 21.119 1.00 25.53 ATOM 1940 HB ILE 124 -6.317 -25.250 21.501 1.00 52.31 ATOM 1941 CG1 ILE 124 -6.755 -27.165 20.656 1.00 41.13 ATOM 1942 HG11 ILE 124 -6.009 -27.082 19.882 1.00 37.53 ATOM 1943 HG12 ILE 124 -7.612 -27.694 20.265 1.00 11.22 ATOM 1944 CG2 ILE 124 -8.207 -25.872 22.241 1.00 21.45 ATOM 1945 HG21 ILE 124 -7.778 -26.392 23.085 1.00 70.23 ATOM 1946 HG22 ILE 124 -9.076 -26.412 21.895 1.00 1.03 ATOM 1947 HG23 ILE 124 -8.508 -24.885 22.560 1.00 51.31 ATOM 1948 CD1 ILE 124 -6.159 -28.011 21.758 1.00 22.55 ATOM 1949 HD11 ILE 124 -6.933 -28.302 22.452 1.00 5.22 ATOM 1950 HD12 ILE 124 -5.398 -27.448 22.281 1.00 61.24 ATOM 1951 HD13 ILE 124 -5.715 -28.896 21.327 1.00 33.40 ATOM 1952 C ILE 124 -7.993 -23.528 20.382 1.00 65.32 ATOM 1953 O ILE 124 -9.087 -23.168 20.814 1.00 63.12 ATOM 1954 N GLY 125 -6.953 -22.707 20.270 1.00 10.31 ATOM 1955 HN GLY 125 -6.090 -23.037 19.936 1.00 37.53 ATOM 1956 CA GLY 125 -7.063 -21.314 20.662 1.00 40.33 ATOM 1957 HA1 GLY 125 -8.094 -20.985 20.609 1.00 37.53 ATOM 1958 HA2 GLY 125 -6.482 -20.721 19.971 1.00 54.32 ATOM 1959 C GLY 125 -6.540 -21.062 22.062 1.00 62.00 ATOM 1960 O GLY 125 -7.191 -20.393 22.865 1.00 11.03 ATOM 1961 N LEU 126 -5.362 -21.600 22.357 1.00 64.00 ATOM 1962 HN LEU 126 -4.875 -22.117 21.674 1.00 37.53 ATOM 1963 HA LEU 126 -5.465 -20.968 24.342 1.00 62.35 ATOM 1964 CB LEU 126 -4.366 -22.792 24.255 1.00 72.55 ATOM 1965 HB1 LEU 126 -4.055 -22.643 25.281 1.00 37.53 ATOM 1966 HB2 LEU 126 -3.515 -23.168 23.695 1.00 1.31 ATOM 1967 CG LEU 126 -5.456 -23.865 24.231 1.00 24.32 ATOM 1968 HG LEU 126 -5.815 -23.984 23.220 1.00 31.31 ATOM 1969 CD1 LEU 126 -4.896 -25.204 24.688 1.00 54.15 ATOM 1970 HD11 LEU 126 -4.081 -25.496 24.040 1.00 1.43 ATOM 1971 HD12 LEU 126 -5.672 -25.956 24.643 1.00 31.31 ATOM 1972 HD13 LEU 126 -4.535 -25.122 25.704 1.00 4.44 ATOM 1973 CD2 LEU 126 -6.631 -23.451 25.104 1.00 11.31 ATOM 1974 HD21 LEU 126 -7.395 -24.215 25.070 1.00 35.34 ATOM 1975 HD22 LEU 126 -7.045 -22.521 24.740 1.00 21.00 ATOM 1976 HD23 LEU 126 -6.300 -23.321 26.125 1.00 22.32 ATOM 1977 CA LEU 126 -4.751 -21.432 23.671 1.00 12.23 ATOM 1978 C LEU 126 -3.521 -20.534 23.589 1.00 24.34 ATOM 1979 OT1 LEU 126 -3.480 -19.517 24.315 1.00 37.53 ATOM 1980 OT2 LEU 126 -2.609 -20.845 22.791 1.00 37.53 ATOM 1981 OH2 TIP3 1 -0.725 -41.843 10.661 0.00 0.00 WAT1 ATOM 1982 H1 TIP3 1 -0.774 -42.798 10.624 0.00 0.00 WAT1 ATOM 1983 H2 TIP3 1 -1.551 -41.575 11.063 0.00 0.00 WAT1 ATOM 1984 OH2 TIP3 2 -3.443 -37.975 11.768 0.00 0.00 WAT1 ATOM 1985 H1 TIP3 2 -3.243 -37.551 10.933 0.00 0.00 WAT1 ATOM 1986 H2 TIP3 2 -2.787 -37.632 12.375 0.00 0.00 WAT1 ATOM 1987 OH2 TIP3 3 -6.842 -41.993 11.992 0.00 0.00 WAT1 ATOM 1988 H1 TIP3 3 -7.193 -42.849 12.235 0.00 0.00 WAT1 ATOM 1989 H2 TIP3 3 -6.116 -41.850 12.599 0.00 0.00 WAT1 ATOM 1990 OH2 TIP3 4 -8.310 -46.802 12.669 0.00 0.00 WAT1 ATOM 1991 H1 TIP3 4 -7.357 -46.718 12.641 0.00 0.00 WAT1 ATOM 1992 H2 TIP3 4 -8.470 -47.513 13.288 0.00 0.00 WAT1 ATOM 1993 OH2 TIP3 5 -3.000 -43.956 13.204 0.00 0.00 WAT1 ATOM 1994 H1 TIP3 5 -3.866 -44.061 13.598 0.00 0.00 WAT1 ATOM 1995 H2 TIP3 5 -2.624 -43.197 13.651 0.00 0.00 WAT1 ATOM 1996 OH2 TIP3 6 -3.078 -40.692 11.374 0.00 0.00 WAT1 ATOM 1997 H1 TIP3 6 -3.860 -40.878 10.854 0.00 0.00 WAT1 ATOM 1998 H2 TIP3 6 -3.150 -39.763 11.591 0.00 0.00 WAT1 ATOM 1999 OH2 TIP3 7 -8.595 -47.551 23.679 0.00 0.00 WAT1 ATOM 2000 H1 TIP3 7 -8.633 -48.197 24.384 0.00 0.00 WAT1 ATOM 2001 H2 TIP3 7 -8.918 -48.017 22.908 0.00 0.00 WAT1 ATOM 2002 OH2 TIP3 8 -10.206 -45.118 24.085 0.00 0.00 WAT1 ATOM 2003 H1 TIP3 8 -9.902 -45.804 23.491 0.00 0.00 WAT1 ATOM 2004 H2 TIP3 8 -9.484 -45.000 24.703 0.00 0.00 WAT1 ATOM 2005 OH2 TIP3 9 -3.280 -44.524 27.940 0.00 0.00 WAT1 ATOM 2006 H1 TIP3 9 -3.140 -45.115 27.201 0.00 0.00 WAT1 ATOM 2007 H2 TIP3 9 -3.112 -43.651 27.584 0.00 0.00 WAT1 ATOM 2008 OH2 TIP3 10 -8.807 -47.562 17.712 0.00 0.00 WAT1 ATOM 2009 H1 TIP3 10 -9.519 -47.027 17.361 0.00 0.00 WAT1 ATOM 2010 H2 TIP3 10 -8.116 -47.506 17.052 0.00 0.00 WAT1 ATOM 2011 OH2 TIP3 11 -8.753 -49.104 14.751 0.00 0.00 WAT1 ATOM 2012 H1 TIP3 11 -8.052 -49.082 15.402 0.00 0.00 WAT1 ATOM 2013 H2 TIP3 11 -8.451 -49.732 14.095 0.00 0.00 WAT1 ATOM 2014 OH2 TIP3 12 -1.438 -48.184 26.006 0.00 0.00 WAT1 ATOM 2015 H1 TIP3 12 -2.090 -47.489 26.095 0.00 0.00 WAT1 ATOM 2016 H2 TIP3 12 -0.973 -47.974 25.196 0.00 0.00 WAT1 ATOM 2017 OH2 TIP3 13 -12.389 -43.294 23.228 0.00 0.00 WAT1 ATOM 2018 H1 TIP3 13 -12.484 -43.872 22.471 0.00 0.00 WAT1 ATOM 2019 H2 TIP3 13 -11.660 -43.665 23.724 0.00 0.00 WAT1 ATOM 2020 OH2 TIP3 14 -7.080 -42.450 24.914 0.00 0.00 WAT1 ATOM 2021 H1 TIP3 14 -7.321 -41.788 25.562 0.00 0.00 WAT1 ATOM 2022 H2 TIP3 14 -7.278 -43.284 25.339 0.00 0.00 WAT1 ATOM 2023 OH2 TIP3 15 -6.530 -48.190 16.349 0.00 0.00 WAT1 ATOM 2024 H1 TIP3 15 -5.951 -48.040 17.096 0.00 0.00 WAT1 ATOM 2025 H2 TIP3 15 -6.116 -47.719 15.626 0.00 0.00 WAT1 ATOM 2026 OH2 TIP3 16 -1.642 -42.074 14.539 0.00 0.00 WAT1 ATOM 2027 H1 TIP3 16 -1.569 -41.135 14.709 0.00 0.00 WAT1 ATOM 2028 H2 TIP3 16 -0.737 -42.379 14.482 0.00 0.00 WAT1 ATOM 2029 OH2 TIP3 17 -9.746 -42.269 28.393 0.00 0.00 WAT1 ATOM 2030 H1 TIP3 17 -9.659 -41.443 28.868 0.00 0.00 WAT1 ATOM 2031 H2 TIP3 17 -10.610 -42.599 28.642 0.00 0.00 WAT1 ATOM 2032 OH2 TIP3 18 -9.332 -38.497 18.199 0.00 0.00 WAT1 ATOM 2033 H1 TIP3 18 -9.407 -38.618 17.253 0.00 0.00 WAT1 ATOM 2034 H2 TIP3 18 -9.299 -37.547 18.318 0.00 0.00 WAT1 ATOM 2035 OH2 TIP3 19 -6.230 -39.343 15.202 0.00 0.00 WAT1 ATOM 2036 H1 TIP3 19 -5.855 -40.087 14.731 0.00 0.00 WAT1 ATOM 2037 H2 TIP3 19 -6.226 -39.613 16.120 0.00 0.00 WAT1 ATOM 2038 OH2 TIP3 20 -3.573 -50.350 29.997 0.00 0.00 WAT1 ATOM 2039 H1 TIP3 20 -3.980 -49.869 29.277 0.00 0.00 WAT1 ATOM 2040 H2 TIP3 20 -3.532 -51.255 29.690 0.00 0.00 WAT1 ATOM 2041 OH2 TIP3 21 -5.053 -47.157 13.979 0.00 0.00 WAT1 ATOM 2042 H1 TIP3 21 -5.011 -47.380 13.049 0.00 0.00 WAT1 ATOM 2043 H2 TIP3 21 -4.204 -46.759 14.169 0.00 0.00 WAT1 ATOM 2044 OH2 TIP3 22 -8.181 -49.893 18.814 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 22 -8.590 -49.078 18.522 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 22 -7.461 -50.033 18.199 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 23 -7.177 -50.447 21.628 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 23 -7.372 -49.842 20.913 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 23 -6.995 -51.281 21.193 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 24 -9.815 -50.094 22.970 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 24 -9.251 -50.641 22.423 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 24 -9.963 -50.616 23.759 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 25 -10.645 -45.493 17.069 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 25 -11.389 -46.000 16.746 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 25 -10.779 -45.444 18.015 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 26 -3.495 -46.360 25.855 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 26 -2.853 -45.903 25.312 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 26 -4.325 -46.247 25.393 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 27 -6.029 -50.812 16.929 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 27 -5.137 -50.949 17.248 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 27 -5.972 -50.021 16.392 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 28 -8.519 -44.034 16.094 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 28 -8.814 -43.208 16.476 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 28 -9.222 -44.654 16.290 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 29 -6.875 -42.847 28.256 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 29 -7.776 -42.664 27.988 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 29 -6.841 -42.588 29.177 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 30 -1.144 -50.602 16.623 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 30 -1.698 -50.998 15.951 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 30 -1.043 -49.692 16.346 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 31 -5.688 -47.008 24.110 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 31 -6.616 -47.240 24.083 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 31 -5.237 -47.785 23.780 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 32 -13.145 -42.680 20.243 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 32 -12.618 -41.907 20.042 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 32 -14.025 -42.455 19.941 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 33 -11.718 -45.017 19.819 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 33 -11.959 -44.092 19.861 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 33 -12.458 -45.476 20.215 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 34 -11.203 -40.868 26.134 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 34 -10.840 -40.013 25.901 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 34 -10.671 -41.160 26.875 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 35 -13.034 -39.995 19.364 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 35 -13.984 -39.890 19.416 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 35 -12.683 -39.175 19.709 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 36 -7.659 -44.769 25.835 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 36 -8.085 -44.996 26.661 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 36 -7.078 -45.507 25.652 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 37 -5.456 -43.840 14.909 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 37 -5.103 -44.220 15.713 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 37 -6.405 -43.933 14.995 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 38 -11.365 -42.728 13.356 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 38 -11.126 -43.476 12.808 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 38 -11.634 -43.116 14.188 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 39 -12.428 -43.158 15.812 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 39 -12.281 -43.678 16.602 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 39 -12.431 -42.251 16.118 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 40 -9.690 -41.460 16.561 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 40 -10.507 -40.963 16.614 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 40 -9.161 -40.985 15.921 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 41 -12.352 -40.417 16.543 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 41 -12.191 -39.617 16.042 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 41 -12.549 -40.110 17.428 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 42 -4.817 -49.219 22.649 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 42 -5.614 -49.634 22.320 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 42 -4.372 -49.910 23.140 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 43 -9.327 -40.865 13.494 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 43 -9.971 -41.496 13.816 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 43 -8.565 -41.396 13.262 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 44 -6.842 -41.993 30.848 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 44 -7.193 -42.849 31.091 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 44 -6.116 -41.850 31.455 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 45 -4.723 -41.048 13.728 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 45 -4.440 -41.842 14.181 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 45 -3.983 -40.815 13.167 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 46 -8.416 -44.091 13.321 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 46 -8.684 -43.911 14.222 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 46 -8.622 -45.017 13.190 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 47 -5.719 -45.596 28.269 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 47 -4.974 -45.008 28.149 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 47 -6.476 -45.014 28.332 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 48 -2.158 -46.568 13.599 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 48 -2.431 -46.993 12.786 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 48 -2.118 -45.637 13.382 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 49 -5.264 -47.505 30.168 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 49 -5.545 -46.796 29.590 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 49 -4.321 -47.578 30.017 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 50 -11.650 -38.232 15.155 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 50 -10.717 -38.074 15.299 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 50 -11.914 -37.557 14.530 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 51 -1.699 -45.699 17.574 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 51 -0.849 -45.278 17.702 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 51 -1.694 -46.439 18.182 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 52 -1.305 -47.646 19.398 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 52 -2.031 -48.125 19.796 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 52 -0.724 -47.440 20.130 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 53 -1.546 -44.861 24.346 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 53 -0.712 -45.239 24.065 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 53 -1.434 -43.918 24.227 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 54 -1.037 -47.745 15.789 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 54 -1.558 -47.388 15.070 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 54 -1.070 -47.070 16.467 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 55 -3.518 -49.125 19.961 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 55 -3.668 -50.070 19.941 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 55 -3.872 -48.844 20.805 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 56 -2.662 -47.155 29.600 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 56 -2.079 -47.889 29.791 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 56 -2.098 -46.383 29.646 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 57 -1.165 -49.252 30.284 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 57 -2.028 -49.631 30.119 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 57 -0.561 -49.991 30.210 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 58 -3.808 -51.542 18.423 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 58 -3.528 -52.449 18.548 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 58 -3.049 -51.108 18.034 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 59 -9.626 -39.920 29.833 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 59 -9.441 -40.254 30.711 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 59 -8.779 -39.611 29.511 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 60 -7.281 -38.635 29.077 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 60 -6.604 -39.267 28.837 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 60 -6.959 -38.233 29.885 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 61 -9.357 -38.575 25.127 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 61 -9.814 -38.046 24.473 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 61 -9.194 -37.972 25.852 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 62 -12.442 -40.260 23.335 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 62 -12.229 -41.148 23.048 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 62 -12.377 -40.294 24.290 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 63 -9.005 -39.006 15.400 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 63 -8.139 -38.640 15.222 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 63 -9.252 -39.446 14.587 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 64 -4.889 -44.612 40.837 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 64 -5.330 -45.332 41.287 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 64 -4.902 -43.891 41.467 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 65 -7.778 -39.507 41.049 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 65 -7.158 -40.184 40.776 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 65 -7.986 -39.725 41.957 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 66 -7.731 -44.205 38.159 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 66 -8.027 -44.527 37.308 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 66 -8.055 -43.305 38.201 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 67 -4.377 -42.772 43.185 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 67 -5.319 -42.714 43.346 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 67 -4.101 -41.866 43.048 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 68 -6.125 -40.991 39.810 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 68 -5.700 -41.698 39.325 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 68 -5.808 -40.190 39.393 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 69 -4.966 -43.090 38.319 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 69 -5.223 -43.780 37.707 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 69 -4.895 -43.533 39.164 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 70 -7.080 -42.450 43.770 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 70 -7.321 -41.788 44.418 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 70 -7.278 -43.284 44.195 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 71 -8.804 -41.453 38.640 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 71 -8.330 -41.158 39.418 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 71 -9.367 -40.715 38.407 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 72 -9.332 -38.497 37.055 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 72 -9.407 -38.618 36.109 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 72 -9.299 -37.547 37.174 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 73 -6.230 -39.343 34.058 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 73 -5.855 -40.087 33.587 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 73 -6.226 -39.613 34.976 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 74 -6.561 -39.417 36.807 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 74 -7.496 -39.317 36.986 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 74 -6.281 -40.126 37.385 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 75 -5.053 -47.157 32.835 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 75 -5.011 -47.380 31.905 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 75 -4.204 -46.759 33.025 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 76 -3.495 -46.360 44.711 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 76 -2.853 -45.903 44.168 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 76 -4.325 -46.247 44.249 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 77 -2.848 -41.816 35.944 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 77 -3.221 -42.642 36.254 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 77 -2.571 -41.999 35.047 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 78 -5.456 -43.840 33.765 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 78 -5.103 -44.220 34.569 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 78 -6.405 -43.933 33.851 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 79 -5.000 -40.217 47.160 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 79 -5.602 -40.772 46.665 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 79 -4.719 -39.550 46.534 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 80 -4.590 -45.167 35.991 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 80 -4.867 -45.895 36.547 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 80 -3.663 -45.048 36.197 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 81 -4.723 -41.048 32.584 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 81 -4.440 -41.842 33.037 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 81 -3.983 -40.815 32.023 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 82 -8.416 -44.091 32.177 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 82 -8.684 -43.911 33.078 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 82 -8.622 -45.017 32.046 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 83 -1.451 -39.746 46.278 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 83 -1.938 -40.481 45.907 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 83 -0.902 -40.139 46.956 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 84 -1.699 -45.699 36.430 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 84 -0.849 -45.278 36.558 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 84 -1.694 -46.439 37.038 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 85 -1.305 -47.646 38.254 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 85 -2.031 -48.125 38.652 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 85 -0.724 -47.440 38.986 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 86 -1.546 -44.861 43.202 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 86 -0.712 -45.239 42.921 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 86 -1.434 -43.918 43.083 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 87 -3.059 -41.983 45.509 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 87 -3.707 -41.658 46.134 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 87 -3.577 -42.423 44.834 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 88 -1.037 -47.745 34.645 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 88 -1.558 -47.388 33.926 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 88 -1.070 -47.070 35.323 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 89 -2.688 -50.505 33.196 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 89 -2.591 -49.838 32.516 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 89 -2.828 -51.321 32.714 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 90 -7.030 -39.697 44.928 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 90 -7.934 -39.532 44.662 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 90 -6.601 -38.844 44.862 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 91 -4.425 -38.127 45.223 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 91 -4.607 -37.211 45.012 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 91 -4.249 -38.537 44.376 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 92 -9.005 -39.006 34.256 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 92 -8.139 -38.640 34.078 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 92 -9.252 -39.446 33.443 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 93 -1.151 -33.183 8.326 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 93 -1.840 -32.525 8.231 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 93 -1.136 -33.380 9.263 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 94 -3.280 -25.668 9.084 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 94 -3.140 -26.259 8.345 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 94 -3.112 -24.795 8.728 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 95 -1.438 -29.328 7.150 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 95 -2.090 -28.633 7.239 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 95 -0.973 -29.118 6.340 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 96 -5.504 -30.322 8.876 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 96 -5.424 -29.559 9.448 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 96 -6.105 -30.043 8.185 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 97 -7.080 -23.594 6.058 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 97 -7.321 -22.932 6.706 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 97 -7.278 -24.428 6.483 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 98 -12.509 -24.698 10.041 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 98 -12.821 -23.916 10.497 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 98 -13.159 -24.851 9.355 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 99 -14.270 -22.626 10.805 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 99 -14.262 -22.762 9.857 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 99 -15.186 -22.744 11.057 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 100 -0.725 -22.987 10.661 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 100 -0.774 -23.942 10.624 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 100 -1.551 -22.719 11.063 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 101 -9.746 -23.413 9.537 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 101 -9.659 -22.587 10.012 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 101 -10.610 -23.743 9.786 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 102 -3.573 -31.494 11.141 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 102 -3.980 -31.013 10.421 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 102 -3.532 -32.399 10.834 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 103 -9.079 -30.862 11.446 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 103 -9.642 -31.566 11.766 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 103 -8.253 -30.982 11.913 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 104 -7.913 -29.953 7.443 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 104 -7.589 -30.584 6.800 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 104 -8.353 -30.488 8.104 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 105 -3.443 -19.119 11.768 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 105 -3.243 -18.695 10.933 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 105 -2.787 -18.776 12.375 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 106 -3.495 -27.504 6.999 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 106 -2.853 -27.047 6.456 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 106 -4.325 -27.391 6.537 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 107 -9.125 -26.453 9.450 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 107 -9.471 -26.834 10.256 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 107 -9.325 -25.519 9.521 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 108 -11.495 -29.364 11.510 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 108 -11.791 -29.530 10.615 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 108 -10.564 -29.584 11.500 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 109 -6.875 -23.991 9.400 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 109 -7.776 -23.808 9.132 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 109 -6.841 -23.732 10.321 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 110 -1.180 -25.946 10.604 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 110 -2.032 -25.708 10.237 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 110 -0.590 -25.963 9.851 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 111 -7.659 -25.913 6.979 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 111 -8.085 -26.140 7.805 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 111 -7.078 -26.651 6.796 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 112 -5.000 -21.361 9.448 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 112 -5.602 -21.916 8.953 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 112 -4.719 -20.694 8.822 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 113 -9.623 -32.021 8.862 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 113 -9.504 -31.447 9.619 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 113 -8.968 -32.709 8.977 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 114 -13.419 -21.517 13.263 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 114 -12.651 -21.976 13.604 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 114 -13.440 -21.743 12.333 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 115 -11.454 -26.656 12.030 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 115 -11.782 -26.385 11.172 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 115 -11.302 -27.597 11.942 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 116 -5.719 -26.740 9.413 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 116 -4.974 -26.152 9.293 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 116 -6.476 -26.158 9.476 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 117 -10.996 -29.253 8.206 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 117 -10.245 -29.409 7.633 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 117 -11.335 -28.401 7.930 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 118 -6.580 -31.438 13.234 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 118 -6.388 -32.369 13.123 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 118 -5.723 -31.013 13.224 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 119 -10.508 -32.914 11.961 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 119 -10.744 -33.134 12.863 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 119 -11.291 -33.121 11.452 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 120 -6.158 -35.153 13.042 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 120 -6.255 -36.105 13.036 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 120 -6.480 -34.884 13.903 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 121 -1.546 -26.005 5.490 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 121 -0.712 -26.383 5.209 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 121 -1.434 -25.062 5.371 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 122 -3.059 -23.127 7.797 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 122 -3.707 -22.802 8.422 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 122 -3.577 -23.567 7.122 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 123 -2.662 -28.299 10.744 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 123 -2.079 -29.033 10.935 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 123 -2.098 -27.527 10.790 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 124 -1.165 -30.396 11.428 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 124 -2.028 -30.775 11.263 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 124 -0.561 -31.135 11.354 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 125 -0.884 -37.388 13.133 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 125 -0.534 -38.042 12.527 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 125 -0.737 -36.551 12.693 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 126 -1.364 -35.279 11.482 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 126 -2.281 -35.008 11.446 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 126 -1.241 -35.814 10.698 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 127 -9.626 -21.064 10.977 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 127 -9.441 -21.398 11.855 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 127 -8.779 -20.755 10.655 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 128 -7.281 -19.779 10.221 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 128 -6.604 -20.411 9.981 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 128 -6.959 -19.377 11.029 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 129 -2.363 -37.189 9.301 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 129 -3.176 -36.864 8.913 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 129 -2.130 -37.949 8.768 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 130 -6.254 -37.909 12.681 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 130 -6.178 -38.335 13.535 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 130 -5.361 -37.895 12.339 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 131 -3.078 -21.836 11.374 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 131 -3.860 -22.022 10.854 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 131 -3.150 -20.907 11.591 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 132 -15.303 -24.630 23.807 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 132 -15.673 -25.432 23.438 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 132 -14.362 -24.799 23.854 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 133 -12.134 -29.820 21.663 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 133 -11.518 -30.346 22.172 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 133 -12.720 -30.460 21.259 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 134 -12.531 -27.173 26.047 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 134 -13.271 -26.575 26.150 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 134 -11.817 -26.619 25.731 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 135 -14.123 -25.209 26.834 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 135 -14.129 -24.330 26.456 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 135 -14.977 -25.292 27.259 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 136 -11.074 -37.543 23.212 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 136 -11.191 -38.492 23.158 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 136 -11.929 -37.211 23.485 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 137 -13.756 -27.866 20.547 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 137 -14.086 -28.236 19.728 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 137 -13.168 -28.536 20.893 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 138 -12.389 -24.438 23.228 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 138 -12.484 -25.016 22.471 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 138 -11.660 -24.809 23.724 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 139 -13.389 -29.097 24.180 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 139 -12.824 -28.976 23.417 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 139 -13.070 -28.460 24.819 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 140 -12.509 -24.698 28.897 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 140 -12.821 -23.916 29.353 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 140 -13.159 -24.851 28.211 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 141 -14.766 -28.796 18.136 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 141 -15.058 -28.028 17.645 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 141 -15.440 -29.456 17.973 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 142 -9.746 -23.413 28.393 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 142 -9.659 -22.587 28.868 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 142 -10.610 -23.743 28.642 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 143 -15.678 -20.852 19.980 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 143 -15.526 -21.200 20.859 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 143 -16.529 -21.208 19.725 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 144 -9.142 -36.918 27.364 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 144 -8.722 -37.333 28.117 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 144 -10.075 -37.096 27.481 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 145 -9.480 -34.425 14.649 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 145 -9.734 -34.406 15.572 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 145 -9.737 -35.297 14.348 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 146 -8.181 -31.037 18.814 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 146 -8.590 -30.222 18.522 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 146 -7.461 -31.177 18.199 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 147 -9.079 -30.862 30.302 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 147 -9.642 -31.566 30.622 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 147 -8.253 -30.982 30.769 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 148 -11.135 -34.026 21.083 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 148 -12.046 -33.969 21.372 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 148 -10.630 -34.086 21.894 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 149 -12.654 -32.397 17.566 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 149 -11.722 -32.268 17.744 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 149 -12.869 -31.727 16.917 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 150 -13.980 -31.202 15.133 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 150 -14.522 -31.582 14.442 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 150 -13.146 -31.008 14.704 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 151 -3.443 -19.119 30.624 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 151 -3.243 -18.695 29.789 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 151 -2.787 -18.776 31.231 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 152 -9.815 -31.238 22.970 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 152 -9.251 -31.785 22.423 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 152 -9.963 -31.760 23.759 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 153 -11.189 -32.850 25.384 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 153 -12.024 -32.396 25.494 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 153 -10.665 -32.574 26.136 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 154 -6.747 -33.823 15.268 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 154 -7.685 -33.711 15.117 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 154 -6.450 -32.966 15.574 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 155 -9.125 -26.453 28.306 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 155 -9.471 -26.834 29.112 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 155 -9.325 -25.519 28.377 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 156 -6.029 -31.956 16.929 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 156 -5.137 -32.093 17.248 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 156 -5.972 -31.165 16.392 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 157 -15.520 -27.342 22.838 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 157 -14.775 -27.344 22.237 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 157 -15.442 -28.166 23.320 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 158 -11.495 -29.364 30.366 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 158 -11.791 -29.530 29.471 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 158 -10.564 -29.584 30.356 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 159 -13.145 -23.824 20.243 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 159 -12.618 -23.051 20.042 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 159 -14.025 -23.599 19.941 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 160 -11.718 -26.161 19.819 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 160 -11.959 -25.236 19.861 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 160 -12.458 -26.620 20.215 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 161 -11.203 -22.012 26.134 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 161 -10.840 -21.157 25.901 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 161 -10.671 -22.304 26.875 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 162 -13.034 -21.139 19.364 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 162 -13.984 -21.034 19.416 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 162 -12.683 -20.319 19.709 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 163 -5.000 -21.361 28.304 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 163 -5.602 -21.916 27.809 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 163 -4.719 -20.694 27.678 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 164 -11.365 -23.872 13.356 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 164 -11.126 -24.620 12.808 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 164 -11.634 -24.260 14.188 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 165 -12.428 -24.302 15.812 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 165 -12.281 -24.822 16.602 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 165 -12.431 -23.395 16.118 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 166 -15.975 -27.049 16.322 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 166 -16.661 -26.697 16.889 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 166 -15.452 -26.286 16.076 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 167 -7.359 -34.735 17.698 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 167 -7.139 -34.263 16.895 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 167 -6.801 -34.340 18.369 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 168 -10.159 -33.007 18.533 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 168 -9.347 -32.503 18.579 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 168 -10.404 -33.152 19.447 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 169 -9.623 -32.021 27.718 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 169 -9.504 -31.447 28.475 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 169 -8.968 -32.709 27.833 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 170 -9.275 -35.926 19.471 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 170 -9.622 -35.308 20.116 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 170 -8.617 -35.425 18.990 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 171 -12.352 -21.561 16.543 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 171 -12.191 -20.761 16.042 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 171 -12.549 -21.254 17.428 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 172 -15.359 -24.435 15.219 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 172 -14.767 -23.736 15.495 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 172 -14.900 -24.868 14.500 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 173 -9.327 -22.009 13.494 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 173 -9.971 -22.640 13.816 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 173 -8.565 -22.540 13.262 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 174 -6.842 -23.137 30.848 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 174 -7.193 -23.993 31.091 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 174 -6.116 -22.994 31.455 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 175 -13.768 -26.282 13.585 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 175 -13.704 -27.076 14.116 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 175 -13.115 -26.401 12.896 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 176 -11.454 -26.656 30.886 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 176 -11.782 -26.385 30.028 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 176 -11.302 -27.597 30.798 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 177 -12.619 -28.310 15.891 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 177 -13.078 -28.794 16.577 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 177 -12.364 -28.978 15.255 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 178 -11.548 -30.067 14.154 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 178 -11.728 -30.221 13.226 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 178 -10.597 -29.959 14.198 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 179 -12.578 -34.692 26.822 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 179 -12.042 -34.241 26.170 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 179 -13.430 -34.800 26.400 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 180 -10.996 -29.253 27.062 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 180 -10.245 -29.409 26.489 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 180 -11.335 -28.401 26.786 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 181 -11.772 -37.236 27.254 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 181 -11.870 -36.289 27.148 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 181 -12.515 -37.608 26.778 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 182 -10.508 -32.914 30.817 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 182 -10.744 -33.134 31.719 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 182 -11.291 -33.121 30.308 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 183 -7.792 -33.787 29.893 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 183 -8.740 -33.755 30.025 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 183 -7.480 -34.412 30.547 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 184 -11.197 -36.259 31.979 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 184 -11.328 -36.735 31.158 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 184 -11.796 -35.515 31.923 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 185 -11.650 -19.376 15.155 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 185 -10.717 -19.218 15.299 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 185 -11.914 -18.701 14.530 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 186 -3.440 -34.241 13.457 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 186 -2.830 -34.613 14.094 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 186 -4.277 -34.663 13.653 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 187 -13.937 -22.463 26.874 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 187 -14.362 -21.654 26.591 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 187 -13.032 -22.378 26.572 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 188 -9.626 -21.064 29.833 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 188 -9.441 -21.398 30.711 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 188 -8.779 -20.755 29.511 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 189 -7.281 -19.779 29.077 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 189 -6.604 -20.411 28.837 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 189 -6.959 -19.377 29.885 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 190 -14.068 -19.607 25.951 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 190 -14.933 -19.535 26.355 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 190 -14.123 -19.060 25.167 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 191 -14.979 -21.874 22.487 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 191 -15.198 -22.790 22.656 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 191 -14.155 -21.734 22.953 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 192 -12.442 -21.404 23.335 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 192 -12.229 -22.292 23.048 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 192 -12.377 -21.438 24.290 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 193 -12.027 -37.179 20.115 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 193 -11.153 -36.791 20.085 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 193 -12.163 -37.394 21.038 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 194 -10.883 -35.099 17.005 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 194 -10.705 -35.745 17.688 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 194 -10.937 -34.265 17.472 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 195 -9.005 -20.150 15.400 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 195 -8.139 -19.784 15.222 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 195 -9.252 -20.590 14.587 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 196 -6.254 -37.909 31.537 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 196 -6.178 -38.335 32.391 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 196 -5.361 -37.895 31.195 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 197 -7.528 -27.950 39.116 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 197 -7.439 -27.006 38.984 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 197 -8.167 -28.225 38.458 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 198 -4.889 -25.756 40.837 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 198 -5.330 -26.476 41.287 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 198 -4.902 -25.035 41.467 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 199 -1.543 -34.661 43.802 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 199 -1.494 -34.051 44.538 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 199 -1.117 -34.200 43.079 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 200 -6.188 -33.636 38.942 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 200 -5.542 -33.965 39.567 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 200 -5.678 -33.118 38.319 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 201 -1.151 -33.183 46.038 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 201 -1.840 -32.525 45.943 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 201 -1.136 -33.380 46.975 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 202 -7.731 -25.349 38.159 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 202 -8.027 -25.671 37.308 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 202 -8.055 -24.449 38.201 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 203 -4.424 -34.345 40.923 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 203 -4.639 -35.111 41.455 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 203 -3.768 -33.873 41.436 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 204 -4.077 -35.630 44.602 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 204 -4.813 -35.019 44.564 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 204 -3.393 -35.215 44.076 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 205 -4.966 -24.234 38.319 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 205 -5.223 -24.924 37.707 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 205 -4.895 -24.677 39.164 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 206 -8.807 -28.706 36.568 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 206 -9.519 -28.171 36.217 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 206 -8.116 -28.650 35.908 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 207 -6.230 -20.487 34.058 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 207 -5.855 -21.231 33.587 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 207 -6.226 -20.757 34.976 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 208 -6.561 -20.561 36.807 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 208 -7.496 -20.461 36.986 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 208 -6.281 -21.270 37.385 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 209 -9.480 -34.425 33.505 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 209 -9.734 -34.406 34.428 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 209 -9.737 -35.297 33.204 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 210 -8.181 -31.037 37.670 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 210 -8.590 -30.222 37.378 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 210 -7.461 -31.177 37.055 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 211 -7.177 -31.591 40.484 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 211 -7.372 -30.986 39.769 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 211 -6.995 -32.425 40.049 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 212 -12.654 -32.397 36.422 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 212 -11.722 -32.268 36.600 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 212 -12.869 -31.727 35.773 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 213 -6.730 -34.791 43.203 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 213 -7.407 -34.660 43.867 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 213 -7.216 -34.946 42.393 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 214 -10.645 -26.637 35.925 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 214 -11.389 -27.144 35.602 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 214 -10.779 -26.588 36.871 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 215 -8.519 -25.178 34.950 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 215 -8.814 -24.352 35.332 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 215 -9.222 -25.798 35.146 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 216 -2.848 -22.960 35.944 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 216 -3.221 -23.786 36.254 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 216 -2.571 -23.143 35.047 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 217 -11.365 -23.872 32.212 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 217 -11.126 -24.620 31.664 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 217 -11.634 -24.260 33.044 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 218 -9.690 -22.604 35.417 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 218 -10.507 -22.107 35.470 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 218 -9.161 -22.129 34.777 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 219 -10.159 -33.007 37.389 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 219 -9.347 -32.503 37.435 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 219 -10.404 -33.152 38.303 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 220 -9.275 -35.926 38.327 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 220 -9.622 -35.308 38.972 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 220 -8.617 -35.425 37.846 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 221 -4.817 -30.363 41.505 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 221 -5.614 -30.778 41.176 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 221 -4.372 -31.054 41.996 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 222 -9.327 -22.009 32.350 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 222 -9.971 -22.640 32.672 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 222 -8.565 -22.540 32.118 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 223 -12.619 -28.310 34.747 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 223 -13.078 -28.794 35.433 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 223 -12.364 -28.978 34.111 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 224 -11.548 -30.067 33.010 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 224 -11.728 -30.221 32.082 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 224 -10.597 -29.959 33.054 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 225 -1.546 -26.005 43.202 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 225 -0.712 -26.383 42.921 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 225 -1.434 -25.062 43.083 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 226 -3.196 -32.105 42.715 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 226 -2.263 -31.893 42.681 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 226 -3.431 -32.003 43.638 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 227 -4.276 -20.367 38.928 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 227 -3.623 -20.714 38.320 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 227 -3.765 -19.878 39.574 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 228 -2.363 -37.189 47.013 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 228 -3.176 -36.864 46.625 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 228 -2.130 -37.949 46.480 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 229 -8.933 -35.740 41.336 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 229 -9.608 -36.369 41.591 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 229 -8.369 -36.224 40.733 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 230 -6.470 -37.149 40.620 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 230 -6.394 -37.054 39.671 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 230 -6.746 -38.057 40.749 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 231 -10.883 -35.099 35.861 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 231 -10.705 -35.745 36.544 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 231 -10.937 -34.265 36.328 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 232 -2.296 -20.587 36.936 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 232 -2.490 -21.335 36.371 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 232 -2.335 -19.829 36.352 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 233 -6.158 -16.297 13.042 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 233 -6.255 -17.249 13.036 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 233 -6.480 -16.028 13.903 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 234 -0.884 -18.532 13.133 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 234 -0.534 -19.186 12.527 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 234 -0.737 -17.695 12.693 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 235 -6.254 -19.053 12.681 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 235 -6.178 -19.479 13.535 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 235 -5.361 -19.039 12.339 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 236 -1.543 -15.805 24.946 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 236 -1.494 -15.195 25.682 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 236 -1.117 -15.344 24.223 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 237 -7.065 -13.012 24.413 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 237 -6.922 -13.959 24.433 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 237 -7.171 -12.805 23.484 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 238 -6.188 -14.780 20.086 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 238 -5.542 -15.109 20.711 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 238 -5.678 -14.262 19.463 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 239 -1.151 -14.327 27.182 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 239 -1.840 -13.669 27.087 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 239 -1.136 -14.524 28.119 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 240 -4.424 -15.489 22.067 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 240 -4.639 -16.255 22.599 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 240 -3.768 -15.017 22.580 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 241 -11.074 -18.687 23.212 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 241 -11.191 -19.636 23.158 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 241 -11.929 -18.355 23.485 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 242 -1.438 -10.472 26.006 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 242 -2.090 -9.777 26.095 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 242 -0.973 -10.262 25.196 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 243 -2.832 -18.728 16.162 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 243 -3.731 -18.589 16.457 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 243 -2.580 -17.897 15.760 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 244 -13.805 -17.784 23.990 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 244 -14.666 -17.871 23.582 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 244 -13.827 -16.928 24.417 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 245 -9.142 -18.062 27.364 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 245 -8.722 -18.477 28.117 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 245 -10.075 -18.240 27.481 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 246 -5.816 -14.306 28.218 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 246 -6.330 -14.432 29.015 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 246 -5.971 -13.394 27.973 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 247 -7.177 -12.735 21.628 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 247 -7.372 -12.130 20.913 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 247 -6.995 -13.569 21.193 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 248 -11.135 -15.170 21.083 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 248 -12.046 -15.113 21.372 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 248 -10.630 -15.230 21.894 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 249 -6.730 -15.935 24.347 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 249 -7.407 -15.804 25.011 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 249 -7.216 -16.090 23.537 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 250 -11.189 -13.994 25.384 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 250 -12.024 -13.540 25.494 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 250 -10.665 -13.718 26.136 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 251 -6.747 -14.967 15.268 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 251 -7.685 -14.855 15.117 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 251 -6.450 -14.110 15.574 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 252 -8.143 -15.531 26.601 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 252 -7.445 -15.457 27.251 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 252 -8.524 -16.395 26.756 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 253 -7.359 -15.879 17.698 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 253 -7.139 -15.407 16.895 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 253 -6.801 -15.484 18.369 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 254 -9.275 -17.070 19.471 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 254 -9.622 -16.452 20.116 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 254 -8.617 -16.569 18.990 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 255 -3.419 -15.258 28.553 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 255 -4.335 -14.995 28.465 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 255 -3.083 -15.261 27.656 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 256 -11.772 -18.380 27.254 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 256 -11.870 -17.433 27.148 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 256 -12.515 -18.752 26.778 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 257 -6.158 -16.297 31.898 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 257 -6.255 -17.249 31.892 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 257 -6.480 -16.028 32.759 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 258 -1.165 -11.540 30.284 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 258 -2.028 -11.919 30.119 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 258 -0.561 -12.279 30.210 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 259 -3.196 -13.249 23.859 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 259 -2.263 -13.037 23.825 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 259 -3.431 -13.147 24.782 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 260 -3.167 -12.512 26.635 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 260 -4.010 -12.244 27.001 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 260 -2.724 -11.690 26.424 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 261 -3.194 -16.567 18.472 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 261 -3.012 -17.016 19.297 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 261 -3.794 -17.152 18.008 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 262 -1.364 -16.423 30.338 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 262 -2.281 -16.152 30.302 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 262 -1.241 -16.958 29.554 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 263 -1.328 -16.500 15.000 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 263 -0.915 -17.221 14.524 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 263 -0.646 -15.830 15.058 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 264 -2.363 -18.333 28.157 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 264 -3.176 -18.008 27.769 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 264 -2.130 -19.093 27.624 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 265 -12.027 -18.323 20.115 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 265 -11.153 -17.935 20.085 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 265 -12.163 -18.538 21.038 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 266 -5.117 -18.267 17.457 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 266 -5.820 -17.653 17.247 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 266 -5.562 -19.105 17.588 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 267 -10.883 -16.243 17.005 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 267 -10.705 -16.889 17.688 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 267 -10.937 -15.409 17.472 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 268 -6.254 -19.053 31.537 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 268 -6.178 -19.479 32.391 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 268 -5.361 -19.039 31.195 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 269 -1.144 -12.890 35.479 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 269 -1.698 -13.286 34.807 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 269 -1.043 -11.980 35.202 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 270 -2.688 -12.793 33.196 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 270 -2.591 -12.126 32.516 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 270 -2.828 -13.609 32.714 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 271 -3.440 -15.385 32.313 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 271 -2.830 -15.757 32.950 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 271 -4.277 -15.807 32.509 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 272 -3.194 -16.567 37.328 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 272 -3.012 -17.016 38.153 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 272 -3.794 -17.152 36.864 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 273 -2.064 -17.638 39.782 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 273 -1.452 -18.152 39.255 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 273 -1.681 -16.760 39.805 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 274 -5.117 -18.267 36.313 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 274 -5.820 -17.653 36.103 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 274 -5.562 -19.105 36.444 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 275 6.347 -43.554 10.041 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 275 6.035 -42.772 10.497 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 275 5.697 -43.707 9.355 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 276 4.586 -41.482 10.805 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 276 4.594 -41.618 9.857 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 276 3.670 -41.600 11.057 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 277 18.131 -41.843 10.661 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 277 18.082 -42.798 10.624 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 277 17.305 -41.575 11.063 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 278 9.110 -42.269 9.537 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 278 9.197 -41.443 10.012 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 278 8.246 -42.599 9.786 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 279 2.432 -43.966 9.138 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 279 2.649 -44.327 9.998 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 279 1.577 -44.340 8.928 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 280 11.981 -42.847 9.400 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 280 11.080 -42.664 9.132 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 280 12.015 -42.588 10.321 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 281 17.676 -44.802 10.604 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 281 16.824 -44.564 10.237 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 281 18.266 -44.819 9.851 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 282 7.653 -40.868 7.278 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 282 8.016 -40.013 7.045 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 282 8.185 -41.160 8.019 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 283 13.856 -40.217 9.448 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 283 13.254 -40.772 8.953 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 283 14.137 -39.550 8.822 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 284 1.629 -41.179 7.290 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 284 1.846 -42.111 7.259 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 284 1.876 -40.905 8.174 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 285 0.840 -39.292 11.643 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 285 1.380 -39.509 12.402 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 285 0.359 -40.098 11.453 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 286 12.014 -41.993 11.992 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 286 11.663 -42.849 12.235 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 286 12.740 -41.850 12.599 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 287 10.546 -46.802 12.669 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 287 11.499 -46.718 12.641 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 287 10.386 -47.513 13.288 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 288 17.405 -39.746 8.566 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 288 16.918 -40.481 8.195 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 288 17.954 -40.139 9.244 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 289 15.856 -43.956 13.204 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 289 14.990 -44.061 13.598 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 289 16.232 -43.197 13.651 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 290 1.965 -42.294 11.759 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 290 1.144 -42.119 11.299 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 290 1.713 -42.367 12.680 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 291 4.919 -41.319 8.018 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 291 4.494 -40.510 7.735 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 291 5.824 -41.234 7.716 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 292 9.230 -39.920 10.977 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 292 9.415 -40.254 11.855 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 292 10.077 -39.611 10.655 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 293 11.575 -38.635 10.221 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 293 12.252 -39.267 9.981 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 293 11.897 -38.233 11.029 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 294 2.321 -38.063 8.065 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 294 1.601 -37.623 7.614 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 294 1.955 -38.314 8.914 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 295 4.788 -38.463 7.095 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 295 3.923 -38.391 7.499 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 295 4.733 -37.916 6.311 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 296 11.826 -39.697 7.216 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 296 10.922 -39.532 6.950 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 296 12.255 -38.844 7.150 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 297 14.431 -38.127 7.511 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 297 14.249 -37.211 7.300 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 297 14.607 -38.537 6.664 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 298 15.778 -40.692 11.374 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 298 14.996 -40.878 10.854 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 298 15.706 -39.763 11.591 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 299 10.261 -47.551 23.679 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 299 10.223 -48.197 24.384 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 299 9.938 -48.017 22.908 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 300 2.629 -47.936 25.272 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 300 2.671 -48.562 25.996 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 300 3.332 -47.313 25.454 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 301 3.553 -43.486 23.807 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 301 3.183 -44.288 23.438 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 301 4.494 -43.655 23.854 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 302 0.163 -49.826 19.200 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 302 -0.285 -48.980 19.182 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 302 -0.398 -50.406 18.685 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 303 0.873 -47.664 21.326 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 303 1.087 -48.434 21.853 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 303 1.611 -47.575 20.723 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 304 11.791 -50.724 24.413 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 304 11.934 -51.671 24.433 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 304 11.685 -50.517 23.484 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 305 6.722 -48.676 21.663 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 305 7.338 -49.202 22.172 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 305 6.136 -49.316 21.259 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 306 0.854 -44.394 17.616 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 306 0.582 -44.165 16.727 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 306 0.899 -43.556 18.076 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 307 10.049 -47.562 17.712 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 307 9.337 -47.027 17.361 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 307 10.740 -47.506 17.052 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 308 17.418 -48.184 26.006 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 308 16.766 -47.489 26.095 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 308 17.883 -47.974 25.196 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 309 13.455 -47.352 18.664 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 309 12.723 -47.124 19.237 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 309 13.902 -48.066 19.119 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 310 13.352 -49.178 27.732 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 310 13.432 -48.415 28.304 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 310 12.751 -48.899 27.041 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 311 5.100 -46.722 20.547 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 311 4.770 -47.092 19.728 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 311 5.688 -47.392 20.893 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 312 5.467 -47.953 24.180 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 312 6.032 -47.832 23.417 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 312 5.786 -47.316 24.819 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 313 12.326 -48.190 16.349 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 313 12.905 -48.040 17.096 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 313 12.740 -47.719 15.626 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 314 3.267 -47.356 28.126 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 314 3.337 -46.705 28.824 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 314 2.376 -47.253 27.791 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 315 4.090 -47.652 18.136 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 315 3.798 -46.884 17.645 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 315 3.416 -48.312 17.973 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 316 15.283 -50.350 29.997 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 316 14.876 -49.869 29.277 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 316 15.324 -51.255 29.690 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 317 13.803 -47.157 13.979 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 317 13.845 -47.380 13.049 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 317 14.652 -46.759 14.169 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 318 5.142 -50.530 25.085 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 318 4.500 -50.571 25.794 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 318 5.179 -49.604 24.847 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 319 10.675 -49.893 18.814 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 319 10.266 -49.078 18.522 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 319 11.395 -50.033 18.199 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 320 9.777 -49.718 30.302 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 320 9.214 -50.422 30.622 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 320 10.603 -49.838 30.769 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 321 11.679 -50.447 21.628 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 321 11.484 -49.842 20.913 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 321 11.861 -51.281 21.193 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 322 2.892 -50.210 26.952 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 322 2.854 -49.810 27.820 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 322 2.401 -51.027 27.042 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 323 10.943 -48.809 26.299 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 323 11.267 -49.440 25.656 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 323 10.503 -49.344 26.960 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 324 9.041 -50.094 22.970 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 324 9.605 -50.641 22.423 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 324 8.893 -50.616 23.759 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 325 7.667 -51.706 25.384 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 325 6.832 -51.252 25.494 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 325 8.191 -51.430 26.136 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 326 8.211 -45.493 17.069 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 326 7.467 -46.000 16.746 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 326 8.077 -45.444 18.015 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 327 3.336 -46.198 22.838 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 327 4.081 -46.200 22.237 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 327 3.414 -47.022 23.320 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 328 0.344 -47.737 28.153 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 328 0.567 -48.155 28.985 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 328 -0.258 -48.350 27.731 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 329 7.138 -45.017 19.819 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 329 6.897 -44.092 19.861 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 329 6.398 -45.476 20.215 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 330 14.266 -45.167 17.135 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 330 13.989 -45.895 17.691 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 330 15.193 -45.048 17.341 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 331 7.491 -42.728 13.356 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 331 7.730 -43.476 12.808 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 331 7.222 -43.116 14.188 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 332 6.428 -43.158 15.812 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 332 6.575 -43.678 16.602 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 332 6.425 -42.251 16.118 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 333 2.881 -45.905 16.322 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 333 2.195 -45.553 16.889 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 333 3.404 -45.142 16.076 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 334 9.233 -50.877 27.718 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 334 9.352 -50.303 28.475 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 334 9.888 -51.565 27.833 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 335 14.039 -49.219 22.649 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 335 13.242 -49.634 22.320 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 335 14.484 -49.910 23.140 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 336 3.497 -43.291 15.219 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 336 4.089 -42.592 15.495 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 336 3.956 -43.724 14.500 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 337 9.529 -40.865 13.494 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 337 8.885 -41.496 13.816 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 337 10.291 -41.396 13.262 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 338 5.088 -45.138 13.585 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 338 5.152 -45.932 14.116 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 338 5.741 -45.257 12.896 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 339 10.440 -44.091 13.321 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 339 10.172 -43.911 14.222 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 339 10.234 -45.017 13.190 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 340 1.579 -48.282 30.873 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 340 1.987 -49.139 30.752 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 340 1.319 -48.267 31.794 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 341 5.526 -49.273 28.247 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 341 4.908 -48.598 28.528 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 341 5.870 -48.952 27.414 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 342 10.546 -46.802 31.525 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 342 11.499 -46.718 31.497 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 342 10.386 -47.513 32.144 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 343 16.698 -46.568 13.599 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 343 16.425 -46.993 12.786 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 343 16.738 -45.637 13.382 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 344 5.866 -51.918 29.330 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 344 6.016 -52.647 28.727 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 344 5.868 -51.141 28.771 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 345 6.278 -53.548 26.822 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 345 6.814 -53.097 26.170 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 345 5.426 -53.656 26.400 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 346 12.276 -50.294 32.090 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 346 12.468 -51.225 31.979 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 346 13.133 -49.869 32.080 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 347 13.592 -47.505 30.168 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 347 13.311 -46.796 29.590 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 347 14.535 -47.578 30.017 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 348 4.344 -50.720 31.241 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 348 3.577 -51.252 31.031 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 348 5.023 -51.030 30.642 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 349 8.348 -51.770 30.817 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 349 8.112 -51.990 31.719 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 349 7.565 -51.977 30.308 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 350 11.064 -52.643 29.893 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 350 10.116 -52.611 30.025 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 350 11.376 -53.268 30.547 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 351 0.774 -43.596 14.638 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 351 1.688 -43.517 14.911 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 351 0.781 -44.283 13.971 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 352 17.157 -45.699 17.574 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 352 18.007 -45.278 17.702 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 352 17.162 -46.439 18.182 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 353 17.551 -47.646 19.398 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 353 16.825 -48.125 19.796 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 353 18.132 -47.440 20.130 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 354 17.819 -47.745 15.789 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 354 17.298 -47.388 15.070 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 354 17.786 -47.070 16.467 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 355 15.338 -49.125 19.961 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 355 15.188 -50.070 19.941 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 355 14.984 -48.844 20.805 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 356 0.373 -47.047 23.971 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 356 0.557 -47.129 23.036 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 356 1.222 -47.171 24.395 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 357 16.194 -47.155 29.600 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 357 16.777 -47.889 29.791 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 357 16.758 -46.383 29.646 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 358 17.691 -49.252 30.284 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 358 16.828 -49.631 30.119 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 358 18.295 -49.991 30.210 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 359 15.660 -50.961 23.859 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 359 16.593 -50.749 23.825 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 359 15.425 -50.859 24.782 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 360 15.689 -50.224 26.635 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 360 14.846 -49.956 27.001 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 360 16.132 -49.402 26.424 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 361 -0.029 -51.776 30.112 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 361 0.890 -51.898 30.348 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 361 -0.479 -52.526 30.501 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 362 11.328 -46.806 39.116 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 362 11.417 -45.862 38.984 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 362 10.689 -47.081 38.458 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 363 10.261 -47.551 42.535 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 363 10.223 -48.197 43.240 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 363 9.938 -48.017 41.764 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 364 13.967 -44.612 40.837 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 364 13.526 -45.332 41.287 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 364 13.954 -43.891 41.467 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 365 3.553 -43.486 42.663 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 365 3.183 -44.288 42.294 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 365 4.494 -43.655 42.710 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 366 0.873 -47.664 40.182 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 366 1.087 -48.434 40.709 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 366 1.611 -47.575 39.579 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 367 8.650 -45.118 42.941 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 367 8.954 -45.804 42.347 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 367 9.372 -45.000 43.559 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 368 11.125 -44.205 38.159 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 368 10.829 -44.527 37.308 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 368 10.801 -43.305 38.201 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 369 6.325 -46.029 44.903 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 369 5.585 -45.431 45.006 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 369 7.039 -45.475 44.587 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 370 4.733 -44.065 45.690 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 370 4.727 -43.186 45.312 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 370 3.879 -44.148 46.115 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 371 0.854 -44.394 36.472 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 371 0.582 -44.165 35.583 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 371 0.899 -43.556 36.932 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 372 15.576 -44.524 46.796 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 372 15.716 -45.115 46.057 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 372 15.744 -43.651 46.440 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 373 10.049 -47.562 36.568 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 373 9.337 -47.027 36.217 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 373 10.740 -47.506 35.908 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 374 10.103 -49.104 33.607 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 374 10.804 -49.082 34.258 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 374 10.405 -49.732 32.951 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 375 17.418 -48.184 44.862 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 375 16.766 -47.489 44.951 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 375 17.883 -47.974 44.052 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 376 13.455 -47.352 37.520 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 376 12.723 -47.124 38.093 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 376 13.902 -48.066 37.975 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 377 5.100 -46.722 39.403 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 377 4.770 -47.092 38.584 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 377 5.688 -47.392 39.749 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 378 6.467 -43.294 42.084 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 378 6.372 -43.872 41.327 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 378 7.196 -43.665 42.580 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 379 6.347 -43.554 47.753 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 379 6.035 -42.772 48.209 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 379 5.697 -43.707 47.067 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 380 12.326 -48.190 35.205 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 380 12.905 -48.040 35.952 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 380 12.740 -47.719 34.482 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 381 4.586 -41.482 48.517 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 381 4.594 -41.618 47.569 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 381 3.670 -41.600 48.769 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 382 0.183 -45.289 45.807 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 382 -0.318 -45.317 44.992 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 382 0.189 -46.195 46.117 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 383 18.131 -41.843 48.373 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 383 18.082 -42.798 48.336 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 383 17.305 -41.575 48.775 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 384 9.110 -42.269 47.249 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 384 9.197 -41.443 47.724 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 384 8.246 -42.599 47.498 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 385 2.432 -43.966 46.850 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 385 2.649 -44.327 47.710 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 385 1.577 -44.340 46.640 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 386 13.803 -47.157 32.835 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 386 13.845 -47.380 31.905 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 386 14.652 -46.759 33.025 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 387 10.675 -49.893 37.670 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 387 10.266 -49.078 37.378 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 387 11.395 -50.033 37.055 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 388 4.876 -50.058 33.989 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 388 4.334 -50.438 33.298 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 388 5.710 -49.864 33.560 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 389 15.413 -37.975 49.480 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 389 15.613 -37.551 48.645 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 389 16.069 -37.632 50.087 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 390 8.211 -45.493 35.925 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 390 7.467 -46.000 35.602 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 390 8.077 -45.444 36.871 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 391 15.361 -46.360 44.711 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 391 16.003 -45.903 44.168 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 391 14.531 -46.247 44.249 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 392 12.827 -50.812 35.785 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 392 13.719 -50.949 36.104 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 392 12.884 -50.021 35.248 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 393 3.336 -46.198 41.694 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 393 4.081 -46.200 41.093 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 393 3.414 -47.022 42.176 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 394 11.981 -42.847 47.112 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 394 11.080 -42.664 46.844 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 394 12.015 -42.588 48.033 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 395 17.712 -50.602 35.479 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 395 17.158 -50.998 34.807 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 395 17.813 -49.692 35.202 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 396 13.168 -47.008 42.966 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 396 12.240 -47.240 42.939 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 396 13.619 -47.785 42.636 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 397 5.711 -42.680 39.099 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 397 6.238 -41.907 38.898 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 397 4.831 -42.455 38.797 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 398 1.466 -47.818 33.686 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 398 2.082 -47.191 34.065 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 398 0.604 -47.502 33.957 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 399 7.138 -45.017 38.675 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 399 6.897 -44.092 38.717 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 399 6.398 -45.476 39.071 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 400 11.197 -44.769 44.691 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 400 10.771 -44.996 45.517 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 400 11.778 -45.507 44.508 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 401 13.856 -40.217 47.160 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 401 13.254 -40.772 46.665 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 401 14.137 -39.550 46.534 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 402 1.629 -41.179 45.002 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 402 1.846 -42.111 44.971 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 402 1.876 -40.905 45.886 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 403 2.881 -45.905 35.178 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 403 2.195 -45.553 35.745 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 403 3.404 -45.142 34.932 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 404 14.039 -49.219 41.505 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 404 13.242 -49.634 41.176 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 404 14.484 -49.910 41.996 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 405 1.813 -50.627 33.191 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 405 1.768 -49.688 33.370 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 405 0.925 -50.863 32.921 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 406 5.088 -45.138 32.441 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 406 5.152 -45.932 32.972 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 406 5.741 -45.257 31.752 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 407 6.237 -47.166 34.747 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 407 5.778 -47.650 35.433 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 407 6.492 -47.834 34.111 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 408 7.308 -48.923 33.010 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 408 7.128 -49.077 32.082 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 408 8.259 -48.815 33.054 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 409 17.405 -39.746 46.278 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 409 16.918 -40.481 45.907 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 409 17.954 -40.139 46.956 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 410 17.310 -44.861 43.202 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 410 18.144 -45.239 42.921 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 410 17.422 -43.918 43.083 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 411 15.797 -41.983 45.509 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 411 15.149 -41.658 46.134 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 411 15.279 -42.423 44.834 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 412 16.168 -50.505 33.196 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 412 16.265 -49.838 32.516 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 412 16.028 -51.321 32.714 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 413 15.338 -49.125 38.817 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 413 15.188 -50.070 38.797 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 413 14.984 -48.844 39.661 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 414 0.373 -47.047 42.827 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 414 0.557 -47.129 41.892 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 414 1.222 -47.171 43.251 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 415 15.048 -51.542 37.279 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 415 15.328 -52.449 37.404 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 415 15.807 -51.108 36.890 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 416 4.919 -41.319 45.730 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 416 4.494 -40.510 45.447 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 416 5.824 -41.234 45.428 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 417 9.230 -39.920 48.689 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 417 9.415 -40.254 49.567 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 417 10.077 -39.611 48.367 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 418 11.575 -38.635 47.933 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 418 12.252 -39.267 47.693 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 418 11.897 -38.233 48.741 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 419 2.321 -38.063 45.777 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 419 1.601 -37.623 45.326 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 419 1.955 -38.314 46.626 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 420 14.431 -38.127 45.223 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 420 14.249 -37.211 45.012 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 420 14.607 -38.537 44.376 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 421 15.778 -40.692 49.086 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 421 14.996 -40.878 48.566 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 421 15.706 -39.763 49.303 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 422 2.629 -29.080 6.416 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 422 2.671 -29.706 7.140 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 422 3.332 -28.457 6.598 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 423 3.553 -24.630 4.951 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 423 3.183 -25.432 4.582 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 423 4.494 -24.799 4.998 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 424 11.078 -20.651 3.337 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 424 11.698 -21.328 3.064 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 424 10.870 -20.869 4.245 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 425 17.705 -33.183 8.326 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 425 17.016 -32.525 8.231 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 425 17.720 -33.380 9.263 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 426 3.756 -34.849 6.903 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 426 3.537 -34.319 6.137 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 426 3.088 -34.622 7.551 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 427 6.325 -27.173 7.191 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 427 5.585 -26.575 7.294 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 427 7.039 -26.619 6.875 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 428 4.733 -25.209 7.978 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 428 4.727 -24.330 7.600 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 428 3.879 -25.292 8.403 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 429 14.479 -23.916 5.473 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 429 13.537 -23.858 5.634 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 429 14.755 -23.010 5.336 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 430 14.779 -35.630 6.890 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 430 14.043 -35.019 6.852 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 430 15.463 -35.215 6.364 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 431 12.731 -22.135 2.098 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 431 13.156 -22.842 1.613 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 431 13.048 -21.334 1.681 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 432 13.352 -30.322 8.876 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 432 13.432 -29.559 9.448 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 432 12.751 -30.043 8.185 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 433 6.467 -24.438 4.372 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 433 6.372 -25.016 3.615 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 433 7.196 -24.809 4.868 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 434 5.467 -29.097 5.324 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 434 6.032 -28.976 4.561 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 434 5.786 -28.460 5.963 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 435 11.776 -23.594 6.058 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 435 11.535 -22.932 6.706 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 435 11.578 -24.428 6.483 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 436 6.347 -24.698 10.041 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 436 6.035 -23.916 10.497 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 436 5.697 -24.851 9.355 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 437 10.052 -22.597 0.928 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 437 10.526 -22.302 1.706 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 437 9.489 -21.859 0.695 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 438 4.586 -22.626 10.805 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 438 4.594 -22.762 9.857 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 438 3.670 -22.744 11.057 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 439 0.183 -26.433 8.095 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 439 -0.318 -26.461 7.280 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 439 0.189 -27.339 8.405 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 440 9.110 -23.413 9.537 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 440 9.197 -22.587 10.012 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 440 8.246 -23.743 9.786 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 441 9.524 -19.641 -0.657 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 441 9.449 -19.762 -1.603 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 441 9.557 -18.691 -0.538 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 442 3.178 -20.852 1.124 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 442 3.330 -21.200 2.003 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 442 2.327 -21.208 0.869 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 443 5.051 -36.640 5.134 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 443 4.190 -36.727 4.726 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 443 5.029 -35.784 5.561 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 444 9.714 -36.918 8.508 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 444 10.134 -37.333 9.261 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 444 8.781 -37.096 8.625 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 445 13.040 -33.162 9.362 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 445 12.526 -33.288 10.159 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 445 12.885 -32.250 9.117 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 446 5.142 -31.674 6.229 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 446 4.500 -31.715 6.938 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 446 5.179 -30.748 5.991 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 447 9.777 -30.862 11.446 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 447 9.214 -31.566 11.766 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 447 10.603 -30.982 11.913 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 448 2.892 -31.354 8.096 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 448 2.854 -30.954 8.964 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 448 2.401 -32.171 8.186 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 449 10.943 -29.953 7.443 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 449 11.267 -30.584 6.800 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 449 10.503 -30.488 8.104 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 450 7.667 -32.850 6.528 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 450 6.832 -32.396 6.638 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 450 8.191 -32.574 7.280 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 451 15.361 -27.504 6.999 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 451 16.003 -27.047 6.456 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 451 14.531 -27.391 6.537 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 452 9.731 -26.453 9.450 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 452 9.385 -26.834 10.256 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 452 9.531 -25.519 9.521 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 453 3.336 -27.342 3.982 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 453 4.081 -27.344 3.381 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 453 3.414 -28.166 4.464 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 454 7.361 -29.364 11.510 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 454 7.065 -29.530 10.615 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 454 8.292 -29.584 11.500 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 455 5.711 -23.824 1.387 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 455 6.238 -23.051 1.186 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 455 4.831 -23.599 1.085 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 456 7.653 -22.012 7.278 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 456 8.016 -21.157 7.045 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 456 8.185 -22.304 8.019 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 457 5.822 -21.139 0.508 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 457 4.872 -21.034 0.560 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 457 6.173 -20.319 0.853 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 458 11.197 -25.913 6.979 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 458 10.771 -26.140 7.805 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 458 11.778 -26.651 6.796 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 459 1.978 -34.128 8.855 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 459 1.085 -33.789 8.788 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 459 1.879 -34.983 9.273 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 460 1.629 -22.323 7.290 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 460 1.846 -23.255 7.259 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 460 1.876 -22.049 8.174 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 461 10.713 -34.387 7.745 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 461 11.411 -34.313 8.395 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 461 10.332 -35.251 7.900 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 462 9.233 -32.021 8.862 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 462 9.352 -31.447 9.619 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 462 9.888 -32.709 8.977 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 463 15.437 -34.114 9.697 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 463 14.521 -33.851 9.609 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 463 15.773 -34.117 8.800 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 464 15.126 -21.107 5.415 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 464 14.970 -20.429 4.758 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 464 16.058 -21.035 5.618 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 465 0.840 -20.436 11.643 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 465 1.380 -20.653 12.402 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 465 0.359 -21.242 11.453 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 466 13.137 -26.740 9.413 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 466 13.882 -26.152 9.293 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 466 12.380 -26.158 9.476 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 467 6.278 -34.692 7.966 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 467 6.814 -34.241 7.314 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 467 5.426 -34.800 7.544 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 468 7.860 -29.253 8.206 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 468 8.611 -29.409 7.633 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 468 7.521 -28.401 7.930 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 469 13.592 -28.649 11.312 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 469 13.311 -27.940 10.734 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 469 14.535 -28.722 11.161 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 470 7.084 -37.236 8.398 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 470 6.986 -36.289 8.292 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 470 6.341 -37.608 7.922 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 471 11.064 -33.787 11.037 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 471 10.116 -33.755 11.169 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 471 11.376 -34.412 11.691 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 472 17.842 -20.457 5.644 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 472 17.820 -20.272 6.583 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 472 18.532 -19.888 5.303 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 473 17.405 -20.890 8.566 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 473 16.918 -21.625 8.195 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 473 17.954 -21.283 9.244 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 474 17.310 -26.005 5.490 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 474 18.144 -26.383 5.209 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 474 17.422 -25.062 5.371 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 475 15.797 -23.127 7.797 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 475 15.149 -22.802 8.422 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 475 15.279 -23.567 7.122 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 476 0.373 -28.191 5.115 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 476 0.557 -28.273 4.180 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 476 1.222 -28.315 5.539 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 477 16.194 -28.299 10.744 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 477 16.777 -29.033 10.935 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 477 16.758 -27.527 10.790 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 478 17.691 -30.396 11.428 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 478 16.828 -30.775 11.263 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 478 18.295 -31.135 11.354 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 479 15.689 -31.368 7.779 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 479 14.846 -31.100 8.145 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 479 16.132 -30.546 7.568 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 480 -0.029 -32.920 11.256 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 480 0.890 -33.042 11.492 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 480 -0.479 -33.670 11.645 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 481 14.580 -20.367 1.216 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 481 15.233 -20.714 0.608 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 481 15.091 -19.878 1.862 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 482 -0.227 -36.613 7.615 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 482 -0.892 -36.859 8.258 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 482 -0.670 -35.991 7.038 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 483 4.919 -22.463 8.018 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 483 4.494 -21.654 7.735 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 483 5.824 -22.378 7.716 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 484 16.493 -37.189 9.301 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 484 15.680 -36.864 8.913 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 484 16.726 -37.949 8.768 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 485 2.321 -19.207 8.065 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 485 1.601 -18.767 7.614 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 485 1.955 -19.458 8.914 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 486 4.788 -19.607 7.095 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 486 3.923 -19.535 7.499 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 486 4.733 -19.060 6.311 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 487 1.736 -20.584 4.976 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 487 1.717 -21.009 5.833 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 487 2.541 -20.902 4.567 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 488 3.877 -21.874 3.631 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 488 3.658 -22.790 3.800 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 488 4.701 -21.734 4.097 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 489 6.414 -21.404 4.479 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 489 6.627 -22.292 4.192 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 489 6.479 -21.438 5.434 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 490 2.805 -20.440 14.028 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 490 2.537 -20.153 14.901 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 490 3.576 -20.986 14.180 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 491 2.629 -29.080 44.128 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 491 2.671 -29.706 44.852 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 491 3.332 -28.457 44.310 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 492 13.967 -25.756 40.837 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 492 13.526 -26.476 41.287 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 492 13.954 -25.035 41.467 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 493 3.553 -24.630 42.663 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 493 3.183 -25.432 42.294 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 493 4.494 -24.799 42.710 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 494 0.873 -28.808 40.182 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 494 1.087 -29.578 40.709 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 494 1.611 -28.719 39.579 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 495 11.078 -20.651 41.049 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 495 11.698 -21.328 40.776 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 495 10.870 -20.869 41.957 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 496 8.650 -26.262 42.941 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 496 8.954 -26.948 42.347 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 496 9.372 -26.144 43.559 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 497 1.566 -31.370 41.303 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 497 2.220 -31.920 41.735 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 497 1.590 -31.644 40.387 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 498 3.756 -34.849 44.615 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 498 3.537 -34.319 43.849 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 498 3.088 -34.622 45.263 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 499 6.325 -27.173 44.903 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 499 5.585 -26.575 45.006 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 499 7.039 -26.619 44.587 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 500 3.350 -32.957 42.568 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 500 3.963 -32.324 42.941 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 500 3.862 -33.429 41.911 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 501 14.479 -23.916 43.185 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 501 13.537 -23.858 43.346 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 501 14.755 -23.010 43.048 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 502 12.731 -22.135 39.810 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 502 13.156 -22.842 39.325 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 502 13.048 -21.334 39.393 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 503 13.890 -24.234 38.319 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 503 13.633 -24.924 37.707 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 503 13.961 -24.677 39.164 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 504 15.576 -25.668 46.796 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 504 15.716 -26.259 46.057 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 504 15.744 -24.795 46.440 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 505 17.418 -29.328 44.862 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 505 16.766 -28.633 44.951 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 505 17.883 -29.118 44.052 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 506 5.100 -27.866 39.403 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 506 4.770 -28.236 38.584 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 506 5.688 -28.536 39.749 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 507 6.467 -24.438 42.084 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 507 6.372 -25.016 41.327 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 507 7.196 -24.809 42.580 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 508 5.467 -29.097 43.036 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 508 6.032 -28.976 42.273 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 508 5.786 -28.460 43.675 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 509 11.776 -23.594 43.770 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 509 11.535 -22.932 44.418 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 509 11.578 -24.428 44.195 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 510 9.524 -19.641 37.055 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 510 9.449 -19.762 36.109 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 510 9.557 -18.691 37.174 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 511 3.178 -20.852 38.836 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 511 3.330 -21.200 39.715 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 511 2.327 -21.208 38.581 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 512 5.142 -31.674 43.941 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 512 4.500 -31.715 44.650 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 512 5.179 -30.748 43.703 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 513 9.777 -30.862 49.158 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 513 9.214 -31.566 49.478 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 513 10.603 -30.982 49.625 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 514 2.892 -31.354 45.808 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 514 2.854 -30.954 46.676 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 514 2.401 -32.171 45.898 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 515 15.361 -27.504 44.711 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 515 16.003 -27.047 44.168 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 515 14.531 -27.391 44.249 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 516 9.731 -26.453 47.162 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 516 9.385 -26.834 47.968 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 516 9.531 -25.519 47.233 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 517 3.336 -27.342 41.694 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 517 4.081 -27.344 41.093 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 517 3.414 -28.166 42.176 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 518 7.361 -29.364 49.222 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 518 7.065 -29.530 48.327 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 518 8.292 -29.584 49.212 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 519 11.981 -23.991 47.112 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 519 11.080 -23.808 46.844 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 519 12.015 -23.732 48.033 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 520 17.676 -25.946 48.316 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 520 16.824 -25.708 47.949 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 520 18.266 -25.963 47.563 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 521 5.711 -23.824 39.099 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 521 6.238 -23.051 38.898 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 521 4.831 -23.599 38.797 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 522 7.653 -22.012 44.990 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 522 8.016 -21.157 44.757 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 522 8.185 -22.304 45.731 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 523 5.822 -21.139 38.220 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 523 4.872 -21.034 38.272 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 523 6.173 -20.319 38.565 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 524 11.197 -25.913 44.691 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 524 10.771 -26.140 45.517 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 524 11.778 -26.651 44.508 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 525 1.978 -34.128 46.567 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 525 1.085 -33.789 46.500 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 525 1.879 -34.983 46.985 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 526 14.266 -26.311 35.991 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 526 13.989 -27.039 36.547 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 526 15.193 -26.192 36.197 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 527 9.233 -32.021 46.574 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 527 9.352 -31.447 47.331 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 527 9.888 -32.709 46.689 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 528 1.551 -23.049 38.025 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 528 0.719 -22.576 38.052 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 528 2.097 -22.539 37.426 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 529 13.137 -26.740 47.125 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 529 13.882 -26.152 47.005 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 529 12.380 -26.158 47.188 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 530 5.526 -30.417 47.103 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 530 4.908 -29.742 47.384 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 530 5.870 -30.096 46.270 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 531 10.546 -27.946 50.381 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 531 11.499 -27.862 50.353 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 531 10.386 -28.657 51.000 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 532 5.866 -33.062 48.186 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 532 6.016 -33.791 47.583 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 532 5.868 -32.285 47.627 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 533 6.278 -34.692 45.678 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 533 6.814 -34.241 45.026 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 533 5.426 -34.800 45.256 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 534 7.860 -29.253 45.918 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 534 8.611 -29.409 45.345 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 534 7.521 -28.401 45.642 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 535 12.276 -31.438 50.946 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 535 12.468 -32.369 50.835 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 535 13.133 -31.013 50.936 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 536 13.592 -28.649 49.024 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 536 13.311 -27.940 48.446 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 536 14.535 -28.722 48.873 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 537 8.348 -32.914 49.673 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 537 8.112 -33.134 50.575 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 537 7.565 -33.121 49.164 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 538 11.064 -33.787 48.749 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 538 10.116 -33.755 48.881 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 538 11.376 -34.412 49.403 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 539 12.698 -35.153 50.754 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 539 12.601 -36.105 50.748 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 539 12.376 -34.884 51.615 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 540 7.306 -37.942 48.781 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 540 8.018 -38.582 48.767 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 540 7.205 -37.675 47.867 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 541 7.659 -36.259 50.835 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 541 7.528 -36.735 50.014 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 541 7.060 -35.515 50.779 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 542 -0.577 -19.347 38.571 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 542 -1.224 -19.809 38.038 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 542 -0.222 -20.019 39.154 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 543 0.293 -21.266 40.376 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 543 -0.041 -22.147 40.548 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 543 0.515 -20.921 41.240 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 544 17.157 -26.843 36.430 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 544 18.007 -26.422 36.558 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 544 17.162 -27.583 37.038 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 545 17.551 -28.790 38.254 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 545 16.825 -29.269 38.652 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 545 18.132 -28.584 38.986 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 546 17.310 -26.005 43.202 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 546 18.144 -26.383 42.921 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 546 17.422 -25.062 43.083 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 547 0.373 -28.191 42.827 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 547 0.557 -28.273 41.892 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 547 1.222 -28.315 43.251 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 548 16.194 -28.299 48.456 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 548 16.777 -29.033 48.647 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 548 16.758 -27.527 48.502 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 549 17.691 -30.396 49.140 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 549 16.828 -30.775 48.975 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 549 18.295 -31.135 49.066 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 550 17.972 -37.388 50.845 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 550 18.322 -38.042 50.239 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 550 18.119 -36.551 50.405 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 551 -0.504 -31.609 42.928 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 551 -0.012 -31.830 42.138 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 551 -0.142 -30.768 43.209 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 552 17.492 -35.279 49.194 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 552 16.575 -35.008 49.158 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 552 17.615 -35.814 48.410 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 553 14.580 -20.367 38.928 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 553 15.233 -20.714 38.320 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 553 15.091 -19.878 39.574 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 554 -0.227 -36.613 45.327 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 554 -0.892 -36.859 45.970 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 554 -0.670 -35.991 44.750 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 555 16.493 -37.189 47.013 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 555 15.680 -36.864 46.625 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 555 16.726 -37.949 46.480 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 556 3.877 -21.874 41.343 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 556 3.658 -22.790 41.512 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 556 4.701 -21.734 41.809 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 557 6.414 -21.404 42.191 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 557 6.627 -22.292 41.904 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 557 6.479 -21.438 43.146 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 558 2.207 -36.592 48.675 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 558 1.841 -37.357 49.118 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 558 3.120 -36.563 48.962 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 559 4.180 -37.241 50.211 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 559 5.079 -37.515 50.026 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 559 3.794 -37.984 50.675 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 560 12.602 -37.909 50.393 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 560 12.678 -38.335 51.247 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 560 13.495 -37.895 50.051 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 561 10.103 -30.248 52.463 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 561 10.804 -30.226 53.114 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 561 10.405 -30.876 51.807 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 562 13.803 -28.301 51.691 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 562 13.845 -28.524 50.761 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 562 14.652 -27.903 51.881 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 563 12.109 -33.823 52.980 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 563 11.171 -33.711 52.829 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 563 12.406 -32.966 53.286 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 564 16.698 -27.712 51.311 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 564 16.425 -28.137 50.498 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 564 16.738 -26.781 51.094 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 565 16.168 -31.649 52.052 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 565 16.265 -30.982 51.372 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 565 16.028 -32.465 51.570 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 566 15.416 -34.241 51.169 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 566 16.026 -34.613 51.806 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 566 14.579 -34.663 51.365 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 567 17.528 -35.356 52.712 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 567 17.941 -36.077 52.236 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 567 18.210 -34.686 52.770 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 568 11.328 -9.094 -17.452 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 568 11.417 -8.150 -17.584 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 568 10.689 -9.369 -18.110 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 569 2.629 -10.224 -12.440 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 569 2.671 -10.850 -11.716 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 569 3.332 -9.601 -12.258 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 570 13.967 -6.900 -15.731 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 570 13.526 -7.620 -15.281 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 570 13.954 -6.179 -15.101 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 571 3.553 -5.774 -13.905 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 571 3.183 -6.576 -14.274 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 571 4.494 -5.943 -13.858 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 572 11.078 -1.795 -15.519 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 572 11.698 -2.472 -15.792 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 572 10.870 -2.013 -14.611 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 573 11.791 -13.012 -13.299 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 573 11.934 -13.959 -13.279 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 573 11.685 -12.805 -14.228 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 574 4.946 -14.911 -16.027 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 574 4.989 -14.051 -16.445 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 574 4.488 -15.463 -16.660 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 575 6.722 -10.964 -16.049 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 575 7.338 -11.490 -15.540 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 575 6.136 -11.604 -16.453 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 576 17.705 -14.327 -10.530 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 576 17.016 -13.669 -10.625 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 576 17.720 -14.524 -9.593 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 577 11.125 -6.493 -18.409 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 577 10.829 -6.815 -19.260 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 577 10.801 -5.593 -18.367 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 578 3.350 -14.101 -14.000 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 578 3.963 -13.468 -13.627 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 578 3.862 -14.573 -14.657 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 579 4.733 -6.353 -10.878 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 579 4.727 -5.474 -11.256 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 579 3.879 -6.436 -10.453 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 580 14.479 -5.060 -13.383 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 580 13.537 -5.002 -13.222 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 580 14.755 -4.154 -13.520 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 581 12.731 -3.279 -16.758 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 581 13.156 -3.986 -17.243 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 581 13.048 -2.478 -17.175 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 582 13.890 -5.378 -18.249 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 582 13.633 -6.068 -18.861 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 582 13.961 -5.821 -17.404 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 583 15.576 -6.812 -9.772 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 583 15.716 -7.403 -10.511 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 583 15.744 -5.939 -10.128 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 584 10.049 -9.850 -20.000 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 584 9.337 -9.315 -20.351 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 584 10.740 -9.794 -20.660 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 585 17.418 -10.472 -11.706 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 585 16.766 -9.777 -11.617 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 585 17.883 -10.262 -12.516 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 586 13.455 -9.640 -19.048 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 586 12.723 -9.412 -18.475 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 586 13.902 -10.354 -18.593 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 587 13.352 -11.466 -9.980 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 587 13.432 -10.703 -9.408 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 587 12.751 -11.187 -10.671 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 588 5.100 -9.010 -17.165 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 588 4.770 -9.380 -17.984 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 588 5.688 -9.680 -16.819 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 589 6.467 -5.582 -14.484 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 589 6.372 -6.160 -15.241 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 589 7.196 -5.953 -13.988 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 590 3.267 -9.644 -9.586 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 590 3.337 -8.993 -8.888 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 590 2.376 -9.541 -9.921 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 591 10.052 -3.741 -17.928 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 591 10.526 -3.446 -17.150 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 591 9.489 -3.003 -18.161 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 592 4.586 -3.770 -8.051 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 592 4.594 -3.906 -8.999 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 592 3.670 -3.888 -7.799 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 593 18.131 -4.131 -8.195 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 593 18.082 -5.086 -8.232 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 593 17.305 -3.863 -7.793 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 594 2.432 -6.254 -9.718 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 594 2.649 -6.615 -8.858 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 594 1.577 -6.628 -9.928 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 595 13.040 -14.306 -9.494 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 595 12.526 -14.432 -8.697 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 595 12.885 -13.394 -9.739 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 596 5.142 -12.818 -12.627 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 596 4.500 -12.859 -11.918 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 596 5.179 -11.892 -12.865 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 597 5.139 -12.597 -17.715 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 597 4.246 -12.938 -17.774 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 597 5.590 -12.974 -18.471 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 598 10.675 -12.181 -18.898 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 598 10.266 -11.366 -19.190 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 598 11.395 -12.321 -19.513 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 599 9.777 -12.006 -7.410 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 599 9.214 -12.710 -7.090 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 599 10.603 -12.126 -6.943 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 600 11.679 -12.735 -16.084 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 600 11.484 -12.130 -16.799 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 600 11.861 -13.569 -16.519 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 601 2.892 -12.498 -10.760 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 601 2.854 -12.098 -9.892 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 601 2.401 -13.315 -10.670 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 602 7.721 -15.170 -16.629 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 602 6.810 -15.113 -16.340 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 602 8.226 -15.230 -15.818 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 603 12.126 -15.935 -13.365 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 603 11.449 -15.804 -12.701 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 603 11.640 -16.090 -14.175 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 604 15.413 -0.263 -7.088 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 604 15.613 0.161 -7.923 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 604 16.069 0.080 -6.481 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 605 3.011 -7.789 -7.480 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 605 3.744 -7.535 -6.919 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 605 2.231 -7.585 -6.965 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 606 7.667 -13.994 -12.328 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 606 6.832 -13.540 -12.218 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 606 8.191 -13.718 -11.576 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 607 8.211 -7.781 -20.643 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 607 7.467 -8.288 -20.966 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 607 8.077 -7.732 -19.697 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 608 15.361 -8.648 -11.857 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 608 16.003 -8.191 -12.400 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 608 14.531 -8.535 -12.319 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 609 3.336 -8.486 -14.874 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 609 4.081 -8.488 -15.475 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 609 3.414 -9.310 -14.392 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 610 7.361 -10.508 -7.346 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 610 7.065 -10.674 -8.241 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 610 8.292 -10.728 -7.356 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 611 5.711 -4.968 -17.469 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 611 6.238 -4.195 -17.670 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 611 4.831 -4.743 -17.771 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 612 7.138 -7.305 -17.893 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 612 6.897 -6.380 -17.851 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 612 6.398 -7.764 -17.497 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 613 1.629 -3.467 -11.566 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 613 1.846 -4.399 -11.597 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 613 1.876 -3.193 -10.682 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 614 10.713 -15.531 -11.111 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 614 11.411 -15.457 -10.461 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 614 10.332 -16.395 -10.956 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 615 9.233 -13.165 -9.994 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 615 9.352 -12.591 -9.237 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 615 9.888 -13.853 -9.879 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 616 15.437 -15.258 -9.159 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 616 14.521 -14.995 -9.247 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 616 15.773 -15.261 -10.056 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 617 14.039 -11.507 -15.063 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 617 13.242 -11.922 -15.392 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 617 14.484 -12.198 -14.572 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 618 15.126 -2.251 -13.441 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 618 14.970 -1.573 -14.098 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 618 16.058 -2.179 -13.238 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 619 5.437 -2.661 -5.593 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 619 6.205 -3.120 -5.252 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 619 5.416 -2.887 -6.523 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 620 5.526 -11.561 -9.465 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 620 4.908 -10.886 -9.184 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 620 5.870 -11.240 -10.298 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 621 5.866 -14.206 -8.382 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 621 6.016 -14.935 -8.985 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 621 5.868 -13.429 -8.941 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 622 6.278 -15.836 -10.890 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 622 6.814 -15.385 -11.542 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 622 5.426 -15.944 -11.312 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 623 12.276 -12.582 -5.622 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 623 12.468 -13.513 -5.733 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 623 13.133 -12.157 -5.632 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 624 8.348 -14.058 -6.895 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 624 8.112 -14.278 -5.993 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 624 7.565 -14.265 -7.404 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 625 11.064 -14.931 -7.819 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 625 10.116 -14.899 -7.687 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 625 11.376 -15.556 -7.165 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 626 12.698 -16.297 -5.814 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 626 12.601 -17.249 -5.820 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 626 12.376 -16.028 -4.953 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 627 17.405 -2.034 -10.290 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 627 16.918 -2.769 -10.661 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 627 17.954 -2.427 -9.612 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 628 17.310 -7.149 -13.366 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 628 18.144 -7.527 -13.647 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 628 17.422 -6.206 -13.485 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 629 15.797 -4.271 -11.059 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 629 15.149 -3.946 -10.434 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 629 15.279 -4.711 -11.734 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 630 15.338 -11.413 -17.751 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 630 15.188 -12.358 -17.771 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 630 14.984 -11.132 -16.907 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 631 15.660 -13.249 -13.853 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 631 16.593 -13.037 -13.887 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 631 15.425 -13.147 -12.930 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 632 15.689 -12.512 -11.077 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 632 14.846 -12.244 -10.711 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 632 16.132 -11.690 -11.288 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 633 17.492 -16.423 -7.374 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 633 16.575 -16.152 -7.410 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 633 17.615 -16.958 -8.158 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 634 4.919 -3.607 -10.838 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 634 4.494 -2.798 -11.121 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 634 5.824 -3.522 -11.140 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 635 4.788 -0.751 -11.761 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 635 3.923 -0.679 -11.357 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 635 4.733 -0.204 -12.545 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 636 9.499 -0.863 -12.585 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 636 9.042 -0.334 -13.239 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 636 9.662 -0.260 -11.860 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 637 14.431 -0.415 -11.345 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 637 14.249 0.501 -11.556 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 637 14.607 -0.825 -12.192 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 638 3.877 -3.018 -15.225 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 638 3.658 -3.934 -15.056 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 638 4.701 -2.878 -14.759 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 639 6.414 -2.548 -14.377 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 639 6.627 -3.436 -14.664 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 639 6.479 -2.582 -13.422 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 640 2.629 -10.224 6.416 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 640 2.671 -10.850 7.140 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 640 3.332 -9.601 6.598 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 641 3.553 -5.774 4.951 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 641 3.183 -6.576 4.582 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 641 4.494 -5.943 4.998 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 642 17.313 -15.805 6.090 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 642 17.362 -15.195 6.826 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 642 17.739 -15.344 5.367 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 643 4.946 -14.911 2.829 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 643 4.989 -14.051 2.411 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 643 4.488 -15.463 2.196 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 644 12.668 -14.780 1.230 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 644 13.314 -15.109 1.855 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 644 13.178 -14.262 0.607 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 645 1.566 -12.514 3.591 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 645 2.220 -13.064 4.023 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 645 1.590 -12.788 2.675 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 646 6.722 -10.964 2.807 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 646 7.338 -11.490 3.316 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 646 6.136 -11.604 2.403 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 647 3.756 -15.993 6.903 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 647 3.537 -15.463 6.137 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 647 3.088 -15.766 7.551 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 648 14.432 -15.489 3.211 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 648 14.217 -16.255 3.743 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 648 15.088 -15.017 3.724 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 649 3.350 -14.101 4.856 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 649 3.963 -13.468 5.229 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 649 3.862 -14.573 4.199 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 650 5.100 -9.010 1.691 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 650 4.770 -9.380 0.872 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 650 5.688 -9.680 2.037 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 651 5.467 -10.241 5.324 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 651 6.032 -10.120 4.561 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 651 5.786 -9.604 5.963 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 652 3.267 -9.644 9.270 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 652 3.337 -8.993 9.968 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 652 2.376 -9.541 8.935 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 653 10.052 -3.741 0.928 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 653 10.526 -3.446 1.706 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 653 9.489 -3.003 0.695 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 654 4.586 -3.770 10.805 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 654 4.594 -3.906 9.857 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 654 3.670 -3.888 11.057 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 655 4.090 -9.940 -0.720 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 655 3.798 -9.172 -1.211 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 655 3.416 -10.600 -0.883 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 656 0.183 -7.577 8.095 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 656 -0.318 -7.605 7.280 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 656 0.189 -8.483 8.405 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 657 18.131 -4.131 10.661 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 657 18.082 -5.086 10.624 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 657 17.305 -3.863 11.063 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 658 2.432 -6.254 9.138 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 658 2.649 -6.615 9.998 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 658 1.577 -6.628 8.928 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 659 9.376 -15.569 -4.207 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 659 9.122 -15.550 -3.284 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 659 9.119 -16.441 -4.508 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 660 5.142 -12.818 6.229 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 660 4.500 -12.859 6.938 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 660 5.179 -11.892 5.991 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 661 5.139 -12.597 1.141 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 661 4.246 -12.938 1.082 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 661 5.590 -12.974 0.385 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 662 2.892 -12.498 8.096 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 662 2.854 -12.098 8.964 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 662 2.401 -13.315 8.186 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 663 6.258 -15.124 -5.106 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 663 5.827 -15.569 -4.376 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 663 5.540 -14.752 -5.618 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 664 2.549 -13.541 1.054 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 664 1.660 -13.441 0.714 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 664 2.845 -14.383 0.708 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 665 6.202 -13.541 -1.290 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 665 7.134 -13.412 -1.112 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 665 5.987 -12.871 -1.939 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 666 4.876 -12.346 -3.723 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 666 4.334 -12.726 -4.414 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 666 5.710 -12.152 -4.152 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 667 3.011 -7.789 11.376 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 667 3.744 -7.535 11.937 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 667 2.231 -7.585 11.891 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 668 4.043 -16.246 0.532 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 668 3.726 -17.148 0.497 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 668 4.824 -16.244 -0.020 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 669 12.109 -14.967 -3.588 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 669 11.171 -14.855 -3.739 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 669 12.406 -14.110 -3.282 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 670 3.336 -8.486 3.982 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 670 4.081 -8.488 3.381 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 670 3.414 -9.310 4.464 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 671 7.361 -10.508 11.510 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 671 7.065 -10.674 10.615 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 671 8.292 -10.728 11.500 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 672 11.981 -5.135 9.400 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 672 11.080 -4.952 9.132 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 672 12.015 -4.876 10.321 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 673 17.712 -12.890 -2.233 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 673 17.158 -13.286 -2.905 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 673 17.813 -11.980 -2.510 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 674 17.676 -7.090 10.604 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 674 16.824 -6.852 10.237 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 674 18.266 -7.107 9.851 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 675 5.711 -4.968 1.387 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 675 6.238 -4.195 1.186 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 675 4.831 -4.743 1.085 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 676 7.138 -7.305 0.963 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 676 6.897 -6.380 1.005 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 676 6.398 -7.764 1.359 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 677 5.822 -2.283 0.508 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 677 4.872 -2.178 0.560 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 677 6.173 -1.463 0.853 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 678 13.856 -2.505 9.448 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 678 13.254 -3.060 8.953 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 678 14.137 -1.838 8.822 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 679 17.904 -1.648 -3.746 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 679 18.647 -1.062 -3.886 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 679 17.209 -1.080 -3.413 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 680 1.978 -15.272 8.855 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 680 1.085 -14.933 8.788 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 680 1.879 -16.127 9.273 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 681 1.629 -3.467 7.290 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 681 1.846 -4.399 7.259 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 681 1.876 -3.193 8.174 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 682 6.428 -5.446 -3.044 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 682 6.575 -5.966 -2.254 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 682 6.425 -4.539 -2.738 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 683 11.497 -15.879 -1.158 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 683 11.717 -15.407 -1.961 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 683 12.055 -15.484 -0.487 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 684 8.697 -14.151 -0.323 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 684 9.509 -13.647 -0.277 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 684 8.452 -14.296 0.591 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 685 9.581 -17.070 0.615 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 685 9.234 -16.452 1.260 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 685 10.239 -16.569 0.134 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 686 6.504 -2.705 -2.313 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 686 6.665 -1.905 -2.814 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 686 6.307 -2.398 -1.428 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 687 3.497 -5.579 -3.637 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 687 4.089 -4.880 -3.361 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 687 3.956 -6.012 -4.356 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 688 2.621 -18.133 4.152 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 688 2.392 -18.074 3.225 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 688 2.178 -18.925 4.459 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 689 5.437 -2.661 13.263 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 689 6.205 -3.120 13.604 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 689 5.416 -2.887 12.333 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 690 12.014 -4.281 11.992 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 690 11.663 -5.137 12.235 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 690 12.740 -4.138 12.599 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 691 5.088 -7.426 -5.271 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 691 5.152 -8.220 -4.740 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 691 5.741 -7.545 -5.960 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 692 7.402 -7.800 12.030 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 692 7.074 -7.529 11.172 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 692 7.554 -8.741 11.942 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 693 6.237 -9.454 -2.965 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 693 5.778 -9.938 -2.279 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 693 6.492 -10.122 -3.601 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 694 5.526 -11.561 9.391 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 694 4.908 -10.886 9.672 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 694 5.870 -11.240 8.558 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 695 7.308 -11.211 -4.702 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 695 7.128 -11.365 -5.630 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 695 8.259 -11.103 -4.658 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 696 10.546 -9.090 12.669 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 696 11.499 -9.006 12.641 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 696 10.386 -9.801 13.288 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 697 5.866 -14.206 10.474 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 697 6.016 -14.935 9.871 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 697 5.868 -13.429 9.915 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 698 13.592 -9.793 11.312 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 698 13.311 -9.084 10.734 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 698 14.535 -9.866 11.161 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 699 4.344 -13.008 12.385 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 699 3.577 -13.540 12.175 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 699 5.023 -13.318 11.786 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 700 7.306 -19.086 11.069 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 700 8.018 -19.726 11.055 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 700 7.205 -18.819 10.155 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 701 7.206 -0.520 -3.701 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 701 8.139 -0.362 -3.557 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 701 6.942 0.155 -4.326 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 702 17.405 -2.034 8.566 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 702 16.918 -2.769 8.195 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 702 17.954 -2.427 9.244 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 703 15.856 -6.244 13.204 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 703 14.990 -6.349 13.598 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 703 16.232 -5.485 13.651 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 704 0.373 -9.335 5.115 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 704 0.557 -9.417 4.180 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 704 1.222 -9.459 5.539 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 705 16.194 -9.443 10.744 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 705 16.777 -10.177 10.935 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 705 16.758 -8.671 10.790 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 706 17.691 -11.540 11.428 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 706 16.828 -11.919 11.263 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 706 18.295 -12.279 11.354 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 707 15.416 -15.385 -5.399 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 707 16.026 -15.757 -4.762 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 707 14.579 -15.807 -5.203 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 708 15.662 -16.567 -0.384 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 708 15.844 -17.016 0.441 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 708 15.062 -17.152 -0.848 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 709 1.192 -15.752 4.147 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 709 1.637 -16.544 4.449 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 709 1.658 -15.036 4.578 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 710 17.528 -16.500 -3.856 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 710 17.941 -17.221 -4.332 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 710 18.210 -15.830 -3.798 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 711 1.965 -4.582 11.759 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 711 1.144 -4.407 11.299 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 711 1.713 -4.655 12.680 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 712 4.919 -3.607 8.018 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 712 4.494 -2.798 7.735 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 712 5.824 -3.522 7.716 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 713 9.230 -2.208 10.977 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 713 9.415 -2.542 11.855 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 713 10.077 -1.899 10.655 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 714 11.575 -0.923 10.221 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 714 12.252 -1.555 9.981 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 714 11.897 -0.521 11.029 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 715 4.788 -0.751 7.095 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 715 3.923 -0.679 7.499 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 715 4.733 -0.204 6.311 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 716 9.499 -0.863 6.271 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 716 9.042 -0.334 5.617 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 716 9.662 -0.260 6.996 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 717 11.826 -1.985 7.216 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 717 10.922 -1.820 6.950 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 717 12.255 -1.132 7.150 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 718 14.431 -0.415 7.511 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 718 14.249 0.501 7.300 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 718 14.607 -0.825 6.664 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 719 3.877 -3.018 3.631 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 719 3.658 -3.934 3.800 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 719 4.701 -2.878 4.097 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 720 6.414 -2.548 4.479 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 720 6.627 -3.436 4.192 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 720 6.479 -2.582 5.434 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 721 15.065 -18.777 3.736 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 721 15.669 -18.229 3.235 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 721 14.196 -18.457 3.496 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 722 16.792 -17.638 2.070 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 722 17.404 -18.152 1.543 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 722 17.175 -16.760 2.093 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 723 2.249 -18.250 1.446 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 723 1.472 -18.484 0.938 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 723 2.780 -19.047 1.454 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 724 6.829 -18.323 1.259 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 724 7.703 -17.935 1.229 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 724 6.693 -18.538 2.182 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 725 12.386 -18.293 2.908 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 725 12.462 -18.198 1.959 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 725 12.110 -19.201 3.037 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 726 13.739 -18.267 -1.399 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 726 13.036 -17.653 -1.609 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 726 13.294 -19.105 -1.268 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 727 7.973 -16.243 -1.851 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 727 8.151 -16.889 -1.168 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 727 7.919 -15.409 -1.384 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 728 2.207 -17.736 10.963 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 728 1.841 -18.501 11.406 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 728 3.120 -17.707 11.250 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 729 4.180 -18.385 12.499 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 729 5.079 -18.659 12.314 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 729 3.794 -19.128 12.963 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 730 15.778 -2.980 11.374 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 730 14.996 -3.166 10.854 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 730 15.706 -2.051 11.591 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 731 11.328 -9.094 20.260 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 731 11.417 -8.150 20.128 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 731 10.689 -9.369 19.602 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 732 10.261 -9.839 23.679 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 732 10.223 -10.485 24.384 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 732 9.938 -10.305 22.908 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 733 2.629 -10.224 25.272 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 733 2.671 -10.850 25.996 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 733 3.332 -9.601 25.454 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 734 0.873 -9.952 21.326 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 734 1.087 -10.722 21.853 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 734 1.611 -9.863 20.723 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 735 11.791 -13.012 24.413 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 735 11.934 -13.959 24.433 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 735 11.685 -12.805 23.484 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 736 1.566 -12.514 22.447 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 736 2.220 -13.064 22.879 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 736 1.590 -12.788 21.531 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 737 6.722 -10.964 21.663 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 737 7.338 -11.490 22.172 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 737 6.136 -11.604 21.259 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 738 6.325 -8.317 26.047 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 738 5.585 -7.719 26.150 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 738 7.039 -7.763 25.731 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 739 15.576 -6.812 27.940 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 739 15.716 -7.403 27.201 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 739 15.744 -5.939 27.584 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 740 10.049 -9.850 17.712 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 740 9.337 -9.315 17.361 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 740 10.740 -9.794 17.052 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 741 17.418 -10.472 26.006 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 741 16.766 -9.777 26.095 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 741 17.883 -10.262 25.196 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 742 13.455 -9.640 18.664 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 742 12.723 -9.412 19.237 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 742 13.902 -10.354 19.119 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 743 5.467 -10.241 24.180 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 743 6.032 -10.120 23.417 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 743 5.786 -9.604 24.819 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 744 12.326 -10.478 16.349 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 744 12.905 -10.328 17.096 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 744 12.740 -10.007 15.626 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 745 3.267 -9.644 28.126 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 745 3.337 -8.993 28.824 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 745 2.376 -9.541 27.791 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 746 18.131 -4.131 29.517 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 746 18.082 -5.086 29.480 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 746 17.305 -3.863 29.919 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 747 13.803 -9.445 13.979 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 747 13.845 -9.668 13.049 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 747 14.652 -9.047 14.169 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 748 5.139 -12.597 19.997 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 748 4.246 -12.938 19.938 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 748 5.590 -12.974 19.241 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 749 10.675 -12.181 18.814 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 749 10.266 -11.366 18.522 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 749 11.395 -12.321 18.199 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 750 9.777 -12.006 30.302 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 750 9.214 -12.710 30.622 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 750 10.603 -12.126 30.769 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 751 6.258 -15.124 13.750 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 751 5.827 -15.569 14.480 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 751 5.540 -14.752 13.238 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 752 -0.500 -15.382 20.802 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 752 0.131 -15.411 21.522 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 752 -0.050 -15.807 20.072 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 753 10.943 -11.097 26.299 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 753 11.267 -11.728 25.656 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 753 10.503 -11.632 26.960 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 754 2.549 -13.541 19.910 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 754 1.660 -13.441 19.570 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 754 2.845 -14.383 19.564 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 755 6.202 -13.541 17.566 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 755 7.134 -13.412 17.744 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 755 5.987 -12.871 16.917 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 756 4.876 -12.346 15.133 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 756 4.334 -12.726 14.442 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 756 5.710 -12.152 14.704 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 757 4.043 -16.246 19.388 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 757 3.726 -17.148 19.353 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 757 4.824 -16.244 18.836 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 758 8.211 -7.781 17.069 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 758 7.467 -8.288 16.746 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 758 8.077 -7.732 18.015 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 759 15.361 -8.648 25.855 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 759 16.003 -8.191 25.312 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 759 14.531 -8.535 25.393 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 760 3.336 -8.486 22.838 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 760 4.081 -8.488 22.237 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 760 3.414 -9.310 23.320 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 761 0.344 -10.025 28.153 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 761 0.567 -10.443 28.985 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 761 -0.258 -10.638 27.731 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 762 7.361 -10.508 30.366 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 762 7.065 -10.674 29.471 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 762 8.292 -10.728 30.356 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 763 17.712 -12.890 16.623 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 763 17.158 -13.286 15.951 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 763 17.813 -11.980 16.346 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 764 17.676 -7.090 29.460 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 764 16.824 -6.852 29.093 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 764 18.266 -7.107 28.707 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 765 13.168 -9.296 24.110 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 765 12.240 -9.528 24.083 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 765 13.619 -10.073 23.780 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 766 7.491 -5.016 13.356 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 766 7.730 -5.764 12.808 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 766 7.222 -5.404 14.188 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 767 5.238 -16.007 16.159 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 767 5.155 -15.118 16.505 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 767 6.128 -16.272 16.390 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 768 14.039 -11.507 22.649 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 768 13.242 -11.922 22.320 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 768 14.484 -12.198 23.140 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 769 9.529 -3.153 13.494 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 769 8.885 -3.784 13.816 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 769 10.291 -3.684 13.262 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 770 5.088 -7.426 13.585 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 770 5.152 -8.220 14.116 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 770 5.741 -7.545 12.896 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 771 10.440 -6.379 13.321 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 771 10.172 -6.199 14.222 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 771 10.234 -7.305 13.190 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 772 13.137 -7.884 28.269 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 772 13.882 -7.296 28.149 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 772 12.380 -7.302 28.332 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 773 1.579 -10.570 30.873 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 773 1.987 -11.427 30.752 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 773 1.319 -10.555 31.794 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 774 6.237 -9.454 15.891 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 774 5.778 -9.938 16.577 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 774 6.492 -10.122 15.255 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 775 5.526 -11.561 28.247 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 775 4.908 -10.886 28.528 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 775 5.870 -11.240 27.414 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 776 7.308 -11.211 14.154 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 776 7.128 -11.365 13.226 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 776 8.259 -11.103 14.198 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 777 10.546 -9.090 31.525 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 777 11.499 -9.006 31.497 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 777 10.386 -9.801 32.144 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 778 16.698 -8.856 13.599 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 778 16.425 -9.281 12.786 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 778 16.738 -7.925 13.382 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 779 7.860 -10.397 27.062 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 779 8.611 -10.553 26.489 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 779 7.521 -9.545 26.786 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 780 12.276 -12.582 32.090 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 780 12.468 -13.513 31.979 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 780 13.133 -12.157 32.080 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 781 13.592 -9.793 30.168 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 781 13.311 -9.084 29.590 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 781 14.535 -9.866 30.017 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 782 4.344 -13.008 31.241 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 782 3.577 -13.540 31.031 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 782 5.023 -13.318 30.642 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 783 17.157 -7.987 17.574 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 783 18.007 -7.566 17.702 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 783 17.162 -8.727 18.182 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 784 17.551 -9.934 19.398 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 784 16.825 -10.413 19.796 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 784 18.132 -9.728 20.130 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 785 17.310 -7.149 24.346 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 785 18.144 -7.527 24.065 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 785 17.422 -6.206 24.227 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 786 17.819 -10.033 15.789 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 786 17.298 -9.676 15.070 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 786 17.786 -9.358 16.467 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 787 16.168 -12.793 14.340 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 787 16.265 -12.126 13.660 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 787 16.028 -13.609 13.858 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 788 15.338 -11.413 19.961 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 788 15.188 -12.358 19.941 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 788 14.984 -11.132 20.805 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 789 0.373 -9.335 23.971 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 789 0.557 -9.417 23.036 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 789 1.222 -9.459 24.395 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 790 16.194 -9.443 29.600 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 790 16.777 -10.177 29.791 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 790 16.758 -8.671 29.646 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 791 15.048 -13.830 18.423 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 791 15.328 -14.737 18.548 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 791 15.807 -13.396 18.034 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 792 -0.029 -14.064 30.112 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 792 0.890 -14.186 30.348 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 792 -0.479 -14.814 30.501 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 793 -0.504 -12.753 24.072 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 793 -0.012 -12.974 23.282 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 793 -0.142 -11.912 24.353 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 794 -0.191 -16.495 18.127 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 794 -1.116 -16.286 17.997 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 794 0.263 -16.011 17.437 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 795 -0.227 -17.757 26.471 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 795 -0.892 -18.003 27.114 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 795 -0.670 -17.135 25.894 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 796 2.249 -18.250 20.302 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 796 1.472 -18.484 19.794 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 796 2.780 -19.047 20.310 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 797 1.086 -18.452 16.105 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 797 1.525 -17.841 15.514 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 797 0.452 -17.914 16.579 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 798 2.947 -16.536 14.548 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 798 3.438 -17.166 14.020 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 798 3.570 -16.240 15.211 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 799 12.668 -14.780 38.942 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 799 13.314 -15.109 39.567 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 799 13.178 -14.262 38.319 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 800 14.432 -15.489 40.923 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 800 14.217 -16.255 41.455 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 800 15.088 -15.017 41.436 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 801 10.103 -11.392 33.607 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 801 10.804 -11.370 34.258 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 801 10.405 -12.020 32.951 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 802 12.326 -10.478 35.205 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 802 12.905 -10.328 35.952 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 802 12.740 -10.007 34.482 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 803 13.803 -9.445 32.835 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 803 13.845 -9.668 31.905 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 803 14.652 -9.047 33.025 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 804 9.376 -15.569 33.505 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 804 9.122 -15.550 34.428 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 804 9.119 -16.441 33.204 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 805 -0.500 -15.382 39.658 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 805 0.131 -15.411 40.378 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 805 -0.050 -15.807 38.928 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 806 0.775 -14.636 35.082 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 806 1.249 -14.045 34.497 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 806 0.057 -14.105 35.429 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 807 2.549 -13.541 38.766 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 807 1.660 -13.441 38.426 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 807 2.845 -14.383 38.420 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 808 6.202 -13.541 36.422 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 808 7.134 -13.412 36.600 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 808 5.987 -12.871 35.773 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 809 4.876 -12.346 33.989 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 809 4.334 -12.726 33.298 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 809 5.710 -12.152 33.560 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 810 4.043 -16.246 38.244 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 810 3.726 -17.148 38.209 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 810 4.824 -16.244 37.692 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 811 12.109 -14.967 34.124 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 811 11.171 -14.855 33.973 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 811 12.406 -14.110 34.430 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 812 12.827 -13.100 35.785 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 812 13.719 -13.237 36.104 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 812 12.884 -12.309 35.248 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 813 17.712 -12.890 35.479 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 813 17.158 -13.286 34.807 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 813 17.813 -11.980 35.202 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 814 11.497 -15.879 36.554 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 814 11.717 -15.407 35.751 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 814 12.055 -15.484 37.225 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 815 9.581 -17.070 38.327 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 815 9.234 -16.452 38.972 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 815 10.239 -16.569 37.846 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 816 5.238 -16.007 35.015 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 816 5.155 -15.118 35.361 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 816 6.128 -16.272 35.246 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 817 1.813 -12.915 33.191 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 817 1.768 -11.976 33.370 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 817 0.925 -13.151 32.921 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 818 7.308 -11.211 33.010 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 818 7.128 -11.365 32.082 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 818 8.259 -11.103 33.054 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 819 16.698 -8.856 32.455 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 819 16.425 -9.281 31.642 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 819 16.738 -7.925 32.238 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 820 17.819 -10.033 34.645 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 820 17.298 -9.676 33.926 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 820 17.786 -9.358 35.323 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 821 16.168 -12.793 33.196 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 821 16.265 -12.126 32.516 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 821 16.028 -13.609 32.714 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 822 15.048 -13.830 37.279 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 822 15.328 -14.737 37.404 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 822 15.807 -13.396 36.890 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 823 15.662 -16.567 37.328 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 823 15.844 -17.016 38.153 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 823 15.062 -17.152 36.864 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 824 -0.191 -16.495 36.983 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 824 -1.116 -16.286 36.853 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 824 0.263 -16.011 36.293 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 825 15.065 -18.777 41.448 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 825 15.669 -18.229 40.947 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 825 14.196 -18.457 41.208 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 826 16.792 -17.638 39.782 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 826 17.404 -18.152 39.255 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 826 17.175 -16.760 39.805 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 827 2.249 -18.250 39.158 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 827 1.472 -18.484 38.650 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 827 2.780 -19.047 39.166 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 828 6.829 -18.323 38.971 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 828 7.703 -17.935 38.941 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 828 6.693 -18.538 39.894 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 829 12.386 -18.293 40.620 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 829 12.462 -18.198 39.671 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 829 12.110 -19.201 40.749 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 830 7.973 -16.243 35.861 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 830 8.151 -16.889 36.544 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 830 7.919 -15.409 36.328 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 831 14.779 2.082 -11.966 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 831 14.043 2.693 -12.004 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 831 15.463 2.497 -12.492 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 832 7.782 0.169 -14.500 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 832 7.665 -0.780 -14.554 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 832 6.927 0.501 -14.227 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 833 5.051 1.072 -13.722 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 833 4.190 0.985 -14.130 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 833 5.029 1.928 -13.295 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 834 9.714 0.794 -10.348 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 834 10.134 0.379 -9.595 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 834 8.781 0.616 -10.231 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 835 12.126 2.921 -13.365 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 835 11.449 3.052 -12.701 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 835 11.640 2.766 -14.175 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 836 10.713 3.325 -11.111 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 836 11.411 3.399 -10.461 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 836 10.332 2.461 -10.956 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 837 12.276 6.274 -5.622 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 837 12.468 5.343 -5.733 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 837 13.133 6.699 -5.632 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 838 7.084 0.476 -10.458 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 838 6.986 1.423 -10.564 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 838 6.341 0.104 -10.934 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 839 8.348 4.798 -6.895 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 839 8.112 4.578 -5.993 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 839 7.565 4.591 -7.404 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 840 11.064 3.925 -7.819 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 840 10.116 3.957 -7.687 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 840 11.376 3.300 -7.165 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 841 12.698 2.559 -5.814 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 841 12.601 1.607 -5.820 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 841 12.376 2.828 -4.953 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 842 7.306 -0.230 -7.787 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 842 8.018 -0.870 -7.801 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 842 7.205 0.037 -8.701 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 843 7.659 1.453 -5.733 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 843 7.528 0.977 -6.554 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 843 7.060 2.197 -5.789 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 844 17.972 0.324 -5.723 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 844 18.322 -0.330 -6.329 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 844 18.119 1.161 -6.163 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 845 17.492 2.433 -7.374 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 845 16.575 2.704 -7.410 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 845 17.615 1.898 -8.158 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 846 16.493 0.523 -9.555 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 846 15.680 0.848 -9.943 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 846 16.726 -0.237 -10.088 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 847 15.065 0.079 -15.120 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 847 15.669 0.627 -15.621 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 847 14.196 0.399 -15.360 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 848 12.386 0.563 -15.948 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 848 12.462 0.658 -16.897 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 848 12.110 -0.345 -15.819 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 849 4.180 0.471 -6.357 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 849 5.079 0.197 -6.542 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 849 3.794 -0.272 -5.893 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 850 17.313 3.051 6.090 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 850 17.362 3.661 6.826 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 850 17.739 3.512 5.367 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 851 12.668 4.076 1.230 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 851 13.314 3.747 1.855 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 851 13.178 4.594 0.607 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 852 14.432 3.367 3.211 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 852 14.217 2.601 3.743 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 852 15.088 3.839 3.724 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 853 14.779 2.082 6.890 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 853 14.043 2.693 6.852 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 853 15.463 2.497 6.364 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 854 7.782 0.169 4.356 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 854 7.665 -0.780 4.302 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 854 6.927 0.501 4.629 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 855 9.714 0.794 8.508 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 855 10.134 0.379 9.261 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 855 8.781 0.616 8.625 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 856 9.376 3.287 -4.207 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 856 9.122 3.306 -3.284 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 856 9.119 2.415 -4.508 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 857 10.675 6.675 -0.042 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 857 10.266 7.490 -0.334 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 857 11.395 6.535 -0.657 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 858 6.258 3.732 -5.106 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 858 5.827 3.287 -4.376 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 858 5.540 4.104 -5.618 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 859 7.721 3.686 2.227 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 859 6.810 3.743 2.516 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 859 8.226 3.626 3.038 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 860 12.126 2.921 5.491 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 860 11.449 3.052 6.155 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 860 11.640 2.766 4.681 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 861 12.109 3.889 -3.588 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 861 11.171 4.001 -3.739 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 861 12.406 4.746 -3.282 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 862 12.827 5.756 -1.927 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 862 13.719 5.619 -1.608 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 862 12.884 6.547 -2.464 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 863 8.697 4.705 -0.323 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 863 9.509 5.209 -0.277 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 863 8.452 4.560 0.591 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 864 9.581 1.786 0.615 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 864 9.234 2.404 1.260 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 864 10.239 2.287 0.134 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 865 5.238 2.849 -2.697 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 865 5.155 3.738 -2.351 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 865 6.128 2.584 -2.466 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 866 7.084 0.476 8.398 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 866 6.986 1.423 8.292 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 866 6.341 0.104 7.922 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 867 16.168 6.063 -4.516 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 867 16.265 6.730 -5.196 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 867 16.028 5.247 -4.998 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 868 15.416 3.471 -5.399 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 868 16.026 3.099 -4.762 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 868 14.579 3.049 -5.203 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 869 15.048 5.026 -0.433 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 869 15.328 4.119 -0.308 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 869 15.807 5.460 -0.822 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 870 15.662 2.289 -0.384 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 870 15.844 1.840 0.441 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 870 15.062 1.704 -0.848 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 871 17.528 2.356 -3.856 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 871 17.941 1.635 -4.332 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 871 18.210 3.026 -3.798 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 872 16.493 0.523 9.301 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 872 15.680 0.848 8.913 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 872 16.726 -0.237 8.768 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 873 9.923 1.972 3.624 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 873 9.248 1.343 3.879 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 873 10.487 1.488 3.021 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 874 16.792 1.218 2.070 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 874 17.404 0.704 1.543 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 874 17.175 2.096 2.093 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 875 6.829 0.533 1.259 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 875 7.703 0.921 1.229 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 875 6.693 0.318 2.182 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 876 7.973 2.613 -1.851 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 876 8.151 1.967 -1.168 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 876 7.919 3.447 -1.384 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 877 23.442 -41.482 10.805 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 877 23.450 -41.618 9.857 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 877 22.526 -41.600 11.057 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 878 19.696 -39.292 11.643 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 878 20.236 -39.509 12.402 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 878 19.215 -40.098 11.453 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 879 24.293 -40.373 13.263 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 879 25.061 -40.832 13.604 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 879 24.272 -40.599 12.333 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 880 19.603 -45.482 12.597 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 880 19.747 -46.384 12.311 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 880 18.830 -45.196 12.109 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 881 20.821 -42.294 11.759 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 881 20.000 -42.119 11.299 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 881 20.569 -42.367 12.680 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 882 21.485 -47.936 25.272 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 882 21.527 -48.562 25.996 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 882 22.188 -47.313 25.454 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 883 19.729 -47.664 21.326 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 883 19.943 -48.434 21.853 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 883 20.467 -47.575 20.723 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 884 29.934 -39.507 22.193 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 884 30.554 -40.184 21.920 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 884 29.726 -39.725 23.101 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 885 27.506 -45.118 24.085 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 885 27.810 -45.804 23.491 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 885 28.228 -45.000 24.703 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 886 25.578 -48.676 21.663 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 886 26.194 -49.202 22.172 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 886 24.992 -49.316 21.259 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 887 29.981 -44.205 19.303 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 887 29.685 -44.527 18.452 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 887 29.657 -43.305 19.345 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 888 25.181 -46.029 26.047 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 888 24.441 -45.431 26.150 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 888 25.895 -45.475 25.731 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 889 19.710 -44.394 17.616 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 889 19.438 -44.165 16.727 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 889 19.755 -43.556 18.076 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 890 31.587 -40.991 20.954 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 890 32.012 -41.698 20.469 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 890 31.904 -40.190 20.537 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 891 23.956 -46.722 20.547 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 891 23.626 -47.092 19.728 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 891 24.544 -47.392 20.893 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 892 24.323 -47.953 24.180 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 892 24.888 -47.832 23.417 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 892 24.642 -47.316 24.819 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 893 30.632 -42.450 24.914 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 893 30.391 -41.788 25.562 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 893 30.434 -43.284 25.339 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 894 22.123 -47.356 28.126 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 894 22.193 -46.705 28.824 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 894 21.232 -47.253 27.791 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 895 28.908 -41.453 19.784 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 895 29.382 -41.158 20.562 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 895 28.345 -40.715 19.551 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 896 22.946 -47.652 18.136 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 896 22.654 -46.884 17.645 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 896 22.272 -48.312 17.973 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 897 27.966 -42.269 28.393 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 897 28.053 -41.443 28.868 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 897 27.102 -42.599 28.642 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 898 28.380 -38.497 18.199 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 898 28.305 -38.618 17.253 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 898 28.413 -37.547 18.318 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 899 31.151 -39.417 17.951 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 899 30.216 -39.317 18.130 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 899 31.431 -40.126 18.529 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 900 21.748 -50.210 26.952 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 900 21.710 -49.810 27.820 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 900 21.257 -51.027 27.042 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 901 21.867 -45.501 30.232 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 901 22.600 -45.247 30.793 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 901 21.087 -45.297 30.747 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 902 27.067 -45.493 17.069 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 902 26.323 -46.000 16.746 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 902 26.933 -45.444 18.015 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 903 28.587 -45.309 28.306 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 903 28.241 -45.690 29.112 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 903 28.387 -44.375 28.377 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 904 22.192 -46.198 22.838 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 904 22.937 -46.200 22.237 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 904 22.270 -47.022 23.320 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 905 29.193 -44.034 16.094 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 905 28.898 -43.208 16.476 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 905 28.490 -44.654 16.290 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 906 19.200 -47.737 28.153 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 906 19.423 -48.155 28.985 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 906 18.598 -48.350 27.731 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 907 30.837 -42.847 28.256 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 907 29.936 -42.664 27.988 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 907 30.871 -42.588 29.177 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 908 25.994 -45.017 19.819 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 908 25.753 -44.092 19.861 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 908 25.254 -45.476 20.215 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 909 30.053 -44.769 25.835 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 909 29.627 -44.996 26.661 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 909 30.634 -45.507 25.652 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 910 26.347 -42.728 13.356 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 910 26.586 -43.476 12.808 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 910 26.078 -43.116 14.188 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 911 25.284 -43.158 15.812 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 911 25.431 -43.678 16.602 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 911 25.281 -42.251 16.118 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 912 21.737 -45.905 16.322 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 912 21.051 -45.553 16.889 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 912 22.260 -45.142 16.076 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 913 28.022 -41.460 16.561 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 913 27.205 -40.963 16.614 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 913 28.551 -40.985 15.921 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 914 25.360 -40.417 16.543 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 914 25.521 -39.617 16.042 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 914 25.163 -40.110 17.428 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 915 22.353 -43.291 15.219 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 915 22.945 -42.592 15.495 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 915 22.812 -43.724 14.500 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 916 30.870 -41.993 30.848 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 916 30.519 -42.849 31.091 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 916 31.596 -41.850 31.455 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 917 19.603 -45.482 31.453 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 917 19.747 -46.384 31.167 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 917 18.830 -45.196 30.965 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 918 23.944 -45.138 13.585 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 918 24.008 -45.932 14.116 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 918 24.597 -45.257 12.896 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 919 26.258 -45.512 30.886 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 919 25.930 -45.241 30.028 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 919 26.410 -46.453 30.798 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 920 20.435 -48.282 30.873 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 920 20.843 -49.139 30.752 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 920 20.175 -48.267 31.794 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 921 25.093 -47.166 15.891 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 921 24.634 -47.650 16.577 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 921 25.348 -47.834 15.255 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 922 26.062 -38.232 15.155 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 922 26.995 -38.074 15.299 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 922 25.798 -37.557 14.530 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 923 19.630 -43.596 14.638 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 923 20.544 -43.517 14.911 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 923 19.637 -44.283 13.971 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 924 19.229 -47.047 23.971 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 924 19.413 -47.129 23.036 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 924 20.078 -47.171 24.395 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 925 18.352 -50.465 24.072 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 925 18.844 -50.686 23.282 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 925 18.714 -49.624 24.353 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 926 28.086 -39.920 29.833 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 926 28.271 -40.254 30.711 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 926 28.933 -39.611 29.511 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 927 30.431 -38.635 29.077 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 927 31.108 -39.267 28.837 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 927 30.753 -38.233 29.885 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 928 28.355 -38.575 25.127 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 928 27.898 -38.046 24.473 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 928 28.518 -37.972 25.852 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 929 30.682 -39.697 26.072 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 929 29.778 -39.532 25.806 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 929 31.111 -38.844 26.006 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 930 28.707 -39.006 15.400 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 930 29.573 -38.640 15.222 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 930 28.460 -39.446 14.587 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 931 21.485 -47.936 44.128 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 931 21.527 -48.562 44.852 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 931 22.188 -47.313 44.310 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 932 19.019 -49.826 38.056 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 932 18.571 -48.980 38.038 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 932 18.458 -50.406 37.541 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 933 19.729 -47.664 40.182 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 933 19.943 -48.434 40.709 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 933 20.467 -47.575 39.579 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 934 23.589 -44.065 45.690 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 934 23.583 -43.186 45.312 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 934 22.735 -44.148 46.115 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 935 23.956 -46.722 39.403 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 935 23.626 -47.092 38.584 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 935 24.544 -47.392 39.749 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 936 25.323 -43.294 42.084 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 936 25.228 -43.872 41.327 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 936 26.052 -43.665 42.580 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 937 28.908 -41.453 38.640 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 937 29.382 -41.158 39.418 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 937 28.345 -40.715 38.407 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 938 23.442 -41.482 48.517 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 938 23.450 -41.618 47.569 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 938 22.526 -41.600 48.769 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 939 22.946 -47.652 36.992 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 939 22.654 -46.884 36.501 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 939 22.272 -48.312 36.829 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 940 19.039 -45.289 45.807 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 940 18.538 -45.317 44.992 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 940 19.045 -46.195 46.117 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 941 28.380 -38.497 37.055 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 941 28.305 -38.618 36.109 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 941 28.413 -37.547 37.174 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 942 21.288 -43.966 46.850 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 942 21.505 -44.327 47.710 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 942 20.433 -44.340 46.640 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 943 19.631 -52.348 35.082 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 943 20.105 -51.757 34.497 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 943 18.913 -51.817 35.429 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 944 27.067 -45.493 35.925 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 944 26.323 -46.000 35.602 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 944 26.933 -45.444 36.871 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 945 22.192 -46.198 41.694 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 945 22.937 -46.200 41.093 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 945 22.270 -47.022 42.176 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 946 29.193 -44.034 34.950 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 946 28.898 -43.208 35.332 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 946 28.490 -44.654 35.146 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 947 24.567 -42.680 39.099 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 947 25.094 -41.907 38.898 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 947 23.687 -42.455 38.797 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 948 20.322 -47.818 33.686 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 948 20.938 -47.191 34.065 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 948 19.460 -47.502 33.957 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 949 25.994 -45.017 38.675 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 949 25.753 -44.092 38.717 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 949 25.254 -45.476 39.071 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 950 26.509 -40.868 44.990 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 950 26.872 -40.013 44.757 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 950 27.041 -41.160 45.731 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 951 20.485 -41.179 45.002 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 951 20.702 -42.111 44.971 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 951 20.732 -40.905 45.886 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 952 21.737 -45.905 35.178 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 952 21.051 -45.553 35.745 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 952 22.260 -45.142 34.932 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 953 28.022 -41.460 35.417 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 953 27.205 -40.963 35.470 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 953 28.551 -40.985 34.777 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 954 20.669 -50.627 33.191 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 954 20.624 -49.688 33.370 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 954 19.781 -50.863 32.921 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 955 19.696 -39.292 49.355 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 955 20.236 -39.509 50.114 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 955 19.215 -40.098 49.165 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 956 24.293 -40.373 50.975 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 956 25.061 -40.832 51.316 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 956 24.272 -40.599 50.045 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 957 28.385 -40.865 32.350 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 957 27.741 -41.496 32.672 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 957 29.147 -41.396 32.118 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 958 23.944 -45.138 32.441 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 958 24.008 -45.932 32.972 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 958 24.597 -45.257 31.752 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 959 29.296 -44.091 32.177 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 959 29.028 -43.911 33.078 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 959 29.090 -45.017 32.046 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 960 25.093 -47.166 34.747 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 960 24.634 -47.650 35.433 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 960 25.348 -47.834 34.111 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 961 19.229 -47.047 42.827 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 961 19.413 -47.129 41.892 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 961 20.078 -47.171 43.251 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 962 20.821 -42.294 49.471 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 962 20.000 -42.119 49.011 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 962 20.569 -42.367 50.392 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 963 23.775 -41.319 45.730 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 963 23.350 -40.510 45.447 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 963 24.680 -41.234 45.428 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 964 28.086 -39.920 48.689 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 964 28.271 -40.254 49.567 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 964 28.933 -39.611 48.367 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 965 30.431 -38.635 47.933 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 965 31.108 -39.267 47.693 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 965 30.753 -38.233 48.741 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 966 28.355 -38.575 43.983 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 966 27.898 -38.046 43.329 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 966 28.518 -37.972 44.708 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 967 25.270 -40.260 42.191 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 967 25.483 -41.148 41.904 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 967 25.335 -40.294 43.146 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 968 28.707 -39.006 34.256 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 968 29.573 -38.640 34.078 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 968 28.460 -39.446 33.443 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 969 21.661 -39.296 51.740 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 969 21.393 -39.009 52.613 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 969 22.432 -39.842 51.892 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 970 23.589 -25.209 7.978 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 970 23.583 -24.330 7.600 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 970 22.735 -25.292 8.403 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 971 25.203 -24.698 10.041 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 971 24.891 -23.916 10.497 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 971 24.553 -24.851 9.355 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 972 22.123 -28.500 9.270 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 972 22.193 -27.849 9.968 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 972 21.232 -28.397 8.935 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 973 23.442 -22.626 10.805 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 973 23.450 -22.762 9.857 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 973 22.526 -22.744 11.057 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 974 19.039 -26.433 8.095 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 974 18.538 -26.461 7.280 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 974 19.045 -27.339 8.405 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 975 18.790 -23.653 4.979 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 975 19.736 -23.797 4.960 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 975 18.677 -22.869 5.516 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 976 21.288 -25.110 9.138 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 976 21.505 -25.471 9.998 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 976 20.433 -25.484 8.928 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 977 19.200 -28.881 9.297 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 977 19.423 -29.299 10.129 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 977 18.598 -29.494 8.875 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 978 26.217 -29.364 11.510 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 978 25.921 -29.530 10.615 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 978 27.148 -29.584 11.500 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 979 20.834 -34.128 8.855 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 979 19.941 -33.789 8.788 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 979 20.735 -34.983 9.273 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 980 20.485 -22.323 7.290 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 980 20.702 -23.255 7.259 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 980 20.732 -22.049 8.174 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 981 24.293 -21.517 13.263 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 981 25.061 -21.976 13.604 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 981 24.272 -21.743 12.333 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 982 26.258 -26.656 12.030 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 982 25.930 -26.385 11.172 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 982 26.410 -27.597 11.942 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 983 24.382 -30.417 9.391 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 983 23.764 -29.742 9.672 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 983 24.726 -30.096 8.558 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 984 23.200 -31.864 12.385 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 984 22.433 -32.396 12.175 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 984 23.879 -32.174 11.786 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 985 21.381 -33.943 12.090 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 985 21.592 -34.650 11.479 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 985 21.269 -34.381 12.934 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 986 26.515 -36.259 13.123 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 986 26.384 -36.735 12.302 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 986 25.916 -35.515 13.067 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 987 18.827 -32.920 11.256 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 987 19.746 -33.042 11.492 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 987 18.377 -33.670 11.645 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 988 18.629 -36.613 7.615 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 988 17.964 -36.859 8.258 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 988 18.186 -35.991 7.038 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 989 23.775 -22.463 8.018 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 989 23.350 -21.654 7.735 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 989 24.680 -22.378 7.716 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 990 21.177 -19.207 8.065 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 990 20.457 -18.767 7.614 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 990 20.811 -19.458 8.914 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 991 21.063 -36.592 10.963 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 991 20.697 -37.357 11.406 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 991 21.976 -36.563 11.250 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 992 23.036 -37.241 12.499 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 992 23.935 -37.515 12.314 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 992 22.650 -37.984 12.963 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 993 30.184 -27.950 20.260 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 993 30.273 -27.006 20.128 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 993 29.545 -28.225 19.602 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 994 29.117 -28.695 23.679 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 994 29.079 -29.341 24.384 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 994 28.794 -29.161 22.908 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 995 29.934 -20.651 22.193 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 995 30.554 -21.328 21.920 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 995 29.726 -20.869 23.101 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 996 27.506 -26.262 24.085 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 996 27.810 -26.948 23.491 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 996 28.228 -26.144 24.703 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 997 25.578 -29.820 21.663 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 997 26.194 -30.346 22.172 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 997 24.992 -30.460 21.259 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 998 29.981 -25.349 19.303 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 998 29.685 -25.671 18.452 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 998 29.657 -24.449 19.345 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 999 25.181 -27.173 26.047 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 999 24.441 -26.575 26.150 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 999 25.895 -26.619 25.731 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 1000 31.587 -22.135 20.954 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 1000 32.012 -22.842 20.469 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 1000 31.904 -21.334 20.537 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 1001 32.746 -24.234 19.463 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 1001 32.489 -24.924 18.851 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 1001 32.817 -24.677 20.308 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 1002 30.632 -23.594 24.914 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 1002 30.391 -22.932 25.562 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 1002 30.434 -24.428 25.339 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 1003 25.203 -24.698 28.897 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 1003 24.891 -23.916 29.353 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 1003 24.553 -24.851 28.211 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 1004 23.442 -22.626 29.661 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 1004 23.450 -22.762 28.713 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 1004 22.526 -22.744 29.913 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 1005 31.482 -20.487 15.202 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 1005 31.857 -21.231 14.731 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 1005 31.486 -20.757 16.120 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 1006 31.151 -20.561 17.951 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 1006 30.216 -20.461 18.130 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 1006 31.431 -21.270 18.529 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 1007 28.570 -36.918 27.364 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 1007 28.990 -37.333 28.117 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 1007 27.637 -37.096 27.481 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 1008 23.995 -31.453 19.997 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 1008 23.102 -31.794 19.938 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 1008 24.446 -31.830 19.241 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 1009 25.114 -33.980 13.750 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 1009 24.683 -34.425 14.480 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 1009 24.396 -33.608 13.238 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 1010 29.799 -29.953 26.299 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 1010 30.123 -30.584 25.656 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 1010 29.359 -30.488 26.960 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 1011 26.577 -34.026 21.083 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 1011 25.666 -33.969 21.372 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 1011 27.082 -34.086 21.894 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 1012 25.058 -32.397 17.566 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 1012 25.990 -32.268 17.744 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 1012 24.843 -31.727 16.917 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 1013 23.732 -31.202 15.133 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 1013 23.190 -31.582 14.442 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 1013 24.566 -31.008 14.704 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 1014 27.897 -31.238 22.970 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 1014 28.461 -31.785 22.423 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 1014 27.749 -31.760 23.759 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 1015 26.523 -32.850 25.384 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 1015 25.688 -32.396 25.494 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 1015 27.047 -32.574 26.136 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 1016 27.067 -26.637 17.069 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 1016 26.323 -27.144 16.746 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 1016 26.933 -26.588 18.015 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 1017 28.587 -26.453 28.306 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 1017 28.241 -26.834 29.112 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 1017 28.387 -25.519 28.377 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 1018 29.193 -25.178 16.094 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 1018 28.898 -24.352 16.476 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 1018 28.490 -25.798 16.290 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 1019 26.217 -29.364 30.366 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 1019 25.921 -29.530 29.471 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 1019 27.148 -29.584 30.356 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 1020 25.994 -26.161 19.819 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 1020 25.753 -25.236 19.861 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 1020 25.254 -26.620 20.215 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1021 26.509 -22.012 26.134 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1021 26.872 -21.157 25.901 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1021 27.041 -22.304 26.875 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1022 26.347 -23.872 13.356 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1022 26.586 -24.620 12.808 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1022 26.078 -24.260 14.188 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1023 29.569 -34.387 26.601 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1023 30.267 -34.313 27.251 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1023 29.188 -35.251 26.756 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1024 28.022 -22.604 16.561 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1024 27.205 -22.107 16.614 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1024 28.551 -22.129 15.921 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1025 27.553 -33.007 18.533 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1025 28.365 -32.503 18.579 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1025 27.308 -33.152 19.447 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1026 28.089 -32.021 27.718 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1026 28.208 -31.447 28.475 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1026 28.744 -32.709 27.833 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1027 28.437 -35.926 19.471 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1027 28.090 -35.308 20.116 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1027 29.095 -35.425 18.990 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1028 24.094 -34.863 16.159 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1028 24.011 -33.974 16.505 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1028 24.984 -35.128 16.390 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1029 24.293 -21.517 32.119 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1029 25.061 -21.976 32.460 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1029 24.272 -21.743 31.189 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1030 28.385 -22.009 13.494 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1030 27.741 -22.640 13.816 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1030 29.147 -22.540 13.262 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1031 26.258 -26.656 30.886 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1031 25.930 -26.385 30.028 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1031 26.410 -27.597 30.798 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1032 25.093 -28.310 15.891 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1032 24.634 -28.794 16.577 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1032 25.348 -28.978 15.255 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1033 26.164 -30.067 14.154 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1033 25.984 -30.221 13.226 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1033 27.115 -29.959 14.198 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1034 25.134 -34.692 26.822 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1034 25.670 -34.241 26.170 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1034 24.282 -34.800 26.400 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1035 26.716 -29.253 27.062 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1035 27.467 -29.409 26.489 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1035 26.377 -28.401 26.786 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1036 27.204 -32.914 30.817 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1036 26.968 -33.134 31.719 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1036 26.421 -33.121 30.308 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1037 26.162 -37.942 29.925 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1037 26.874 -38.582 29.911 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1037 26.061 -37.675 29.011 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1038 26.515 -36.259 31.979 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1038 26.384 -36.735 31.158 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1038 25.916 -35.515 31.923 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1039 33.436 -20.367 20.072 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1039 34.089 -20.714 19.464 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1039 33.947 -19.878 20.718 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1040 20.821 -23.438 30.615 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1040 20.000 -23.263 30.155 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1040 20.569 -23.511 31.536 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1041 28.086 -21.064 29.833 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1041 28.271 -21.398 30.711 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1041 28.933 -20.755 29.511 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1042 23.644 -19.607 25.951 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1042 22.779 -19.535 26.355 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1042 23.589 -19.060 25.167 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1043 28.355 -19.719 25.127 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1043 27.898 -19.190 24.473 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1043 28.518 -19.116 25.852 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1044 30.682 -20.841 26.072 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1044 29.778 -20.676 25.806 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1044 31.111 -19.988 26.006 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1045 28.779 -35.740 22.480 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1045 28.104 -36.369 22.735 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1045 29.343 -36.224 21.877 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1046 31.242 -37.149 21.764 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1046 31.318 -37.054 20.815 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1046 30.966 -38.057 21.893 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1047 26.829 -35.099 17.005 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1047 27.007 -35.745 17.688 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1047 26.775 -34.265 17.472 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1048 28.707 -20.150 15.400 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1048 29.573 -19.784 15.222 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1048 28.460 -20.590 14.587 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1049 21.485 -29.080 44.128 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1049 21.527 -29.706 44.852 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1049 22.188 -28.457 44.310 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1050 19.729 -28.808 40.182 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1050 19.943 -29.578 40.709 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1050 20.467 -28.719 39.579 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1051 30.647 -31.868 43.269 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1051 30.790 -32.815 43.289 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1051 30.541 -31.661 42.340 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1052 20.422 -31.370 41.303 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1052 21.076 -31.920 41.735 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1052 20.446 -31.644 40.387 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1053 25.578 -29.820 40.519 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1053 26.194 -30.346 41.028 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1053 24.992 -30.460 40.115 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1054 19.710 -25.538 36.472 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1054 19.438 -25.309 35.583 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1054 19.755 -24.700 36.932 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1055 26.638 -37.543 42.068 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1055 26.521 -38.492 42.014 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1055 25.783 -37.211 42.341 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1056 24.323 -29.097 43.036 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1056 24.888 -28.976 42.273 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1056 24.642 -28.460 43.675 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1057 22.123 -28.500 46.982 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1057 22.193 -27.849 47.680 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1057 21.232 -28.397 46.647 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1058 22.946 -28.796 36.992 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1058 22.654 -28.028 36.501 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1058 22.272 -29.456 36.829 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1059 19.039 -26.433 45.807 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1059 18.538 -26.461 44.992 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1059 19.045 -27.339 46.117 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1060 28.380 -19.641 37.055 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1060 28.305 -19.762 36.109 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1060 28.413 -18.691 37.174 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1061 22.034 -20.852 38.836 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1061 22.186 -21.200 39.715 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1061 21.183 -21.208 38.581 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1062 28.570 -36.918 46.220 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1062 28.990 -37.333 46.973 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1062 27.637 -37.096 46.337 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1063 28.232 -34.425 33.505 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1063 27.978 -34.406 34.428 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1063 27.975 -35.297 33.204 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1064 23.995 -31.453 38.853 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1064 23.102 -31.794 38.794 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1064 24.446 -31.830 38.097 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1065 28.633 -30.862 49.158 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1065 28.070 -31.566 49.478 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1065 29.459 -30.982 49.625 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1066 21.748 -31.354 45.808 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1066 21.710 -30.954 46.676 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1066 21.257 -32.171 45.898 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1067 25.114 -33.980 32.606 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1067 24.683 -34.425 33.336 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1067 24.396 -33.608 32.094 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1068 29.799 -29.953 45.155 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1068 30.123 -30.584 44.512 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1068 29.359 -30.488 45.816 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1069 26.577 -34.026 39.939 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1069 25.666 -33.969 40.228 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1069 27.082 -34.086 40.750 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1070 21.405 -32.397 38.766 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1070 20.516 -32.297 38.426 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1070 21.701 -33.239 38.420 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1071 25.058 -32.397 36.422 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1071 25.990 -32.268 36.600 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1071 24.843 -31.727 35.773 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1072 30.982 -34.791 43.203 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1072 30.305 -34.660 43.867 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1072 30.496 -34.946 42.393 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1073 27.897 -31.238 41.826 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1073 28.461 -31.785 41.279 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1073 27.749 -31.760 42.615 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1074 22.899 -35.102 38.244 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1074 22.582 -36.004 38.209 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1074 23.680 -35.100 37.692 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1075 19.200 -28.881 47.009 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1075 19.423 -29.299 47.841 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1075 18.598 -29.494 46.587 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1076 26.217 -29.364 49.222 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1076 25.921 -29.530 48.327 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1076 27.148 -29.584 49.212 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1077 24.678 -21.139 38.220 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1077 23.728 -21.034 38.272 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1077 25.029 -20.319 38.565 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1078 26.347 -23.872 32.212 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1078 26.586 -24.620 31.664 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1078 26.078 -24.260 33.044 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1079 21.737 -27.049 35.178 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1079 21.051 -26.697 35.745 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1079 22.260 -26.286 34.932 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1080 29.569 -34.387 45.457 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1080 30.267 -34.313 46.107 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1080 29.188 -35.251 45.612 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1081 27.553 -33.007 37.389 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1081 28.365 -32.503 37.435 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1081 27.308 -33.152 38.303 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1082 28.089 -32.021 46.574 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1082 28.208 -31.447 47.331 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1082 28.744 -32.709 46.689 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1083 28.437 -35.926 38.327 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1083 28.090 -35.308 38.972 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1083 29.095 -35.425 37.846 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1084 25.360 -21.561 35.399 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1084 25.521 -20.761 34.898 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1084 25.163 -21.254 36.284 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1085 24.094 -34.863 35.015 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1085 24.011 -33.974 35.361 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1085 24.984 -35.128 35.246 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1086 22.353 -24.435 34.075 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1086 22.945 -23.736 34.351 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1086 22.812 -24.868 33.356 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1087 20.407 -23.049 38.025 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1087 19.575 -22.576 38.052 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1087 20.953 -22.539 37.426 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1088 23.944 -26.282 32.441 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1088 24.008 -27.076 32.972 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1088 24.597 -26.401 31.752 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1089 20.435 -29.426 49.729 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1089 20.843 -30.283 49.608 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1089 20.175 -29.411 50.650 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1090 25.093 -28.310 34.747 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1090 24.634 -28.794 35.433 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1090 25.348 -28.978 34.111 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1091 24.382 -30.417 47.103 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1091 23.764 -29.742 47.384 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1091 24.726 -30.096 46.270 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1092 26.164 -30.067 33.010 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1092 25.984 -30.221 32.082 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1092 27.115 -29.959 33.054 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1093 26.716 -29.253 45.918 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1093 27.467 -29.409 45.345 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1093 26.377 -28.401 45.642 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1094 23.200 -31.864 50.097 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1094 22.433 -32.396 49.887 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1094 23.879 -32.174 49.498 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1095 27.204 -32.914 49.673 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1095 26.968 -33.134 50.575 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1095 26.421 -33.121 49.164 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1096 29.920 -33.787 48.749 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1096 28.972 -33.755 48.881 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1096 30.232 -34.412 49.403 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1097 21.381 -33.943 49.802 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1097 21.592 -34.650 49.191 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1097 21.269 -34.381 50.646 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1098 26.162 -37.942 48.781 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1098 26.874 -38.582 48.767 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1098 26.061 -37.675 47.867 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1099 26.515 -36.259 50.835 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1099 26.384 -36.735 50.014 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1099 25.916 -35.515 50.779 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1100 26.062 -19.376 34.011 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1100 26.995 -19.218 34.155 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1100 25.798 -18.701 33.386 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1101 19.630 -24.740 33.494 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1101 20.544 -24.661 33.767 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1101 19.637 -25.427 32.827 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1102 18.279 -19.347 38.571 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1102 17.632 -19.809 38.038 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1102 18.634 -20.019 39.154 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1103 19.149 -21.266 40.376 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1103 18.815 -22.147 40.548 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1103 19.371 -20.921 41.240 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1104 19.229 -28.191 42.827 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1104 19.413 -28.273 41.892 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1104 20.078 -28.315 43.251 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1105 18.827 -32.920 48.968 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1105 19.746 -33.042 49.204 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1105 18.377 -33.670 49.357 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1106 28.779 -35.740 41.336 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1106 28.104 -36.369 41.591 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1106 29.343 -36.224 40.733 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1107 25.685 -37.179 38.971 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1107 26.559 -36.791 38.941 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1107 25.549 -37.394 39.894 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1108 26.829 -35.099 35.861 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1108 27.007 -35.745 36.544 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1108 26.775 -34.265 36.328 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1109 28.707 -20.150 34.256 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1109 29.573 -19.784 34.078 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1109 28.460 -20.590 33.443 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1110 21.063 -36.592 48.675 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1110 20.697 -37.357 49.118 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1110 21.976 -36.563 48.962 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1111 23.036 -37.241 50.211 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1111 23.935 -37.515 50.026 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1111 22.650 -37.984 50.675 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1112 21.661 -20.440 32.884 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1112 21.393 -20.153 33.757 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1112 22.432 -20.986 33.036 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1113 25.114 -33.980 51.462 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1113 24.683 -34.425 52.192 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1113 24.396 -33.608 50.950 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1114 21.803 -35.392 52.260 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1114 22.294 -36.022 51.732 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1114 22.426 -35.096 52.923 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1115 21.485 -10.224 -12.440 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1115 21.527 -10.850 -11.716 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1115 22.188 -9.601 -12.258 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1116 25.181 -8.317 -11.665 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1116 24.441 -7.719 -11.562 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1116 25.895 -7.763 -11.981 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1117 23.589 -6.353 -10.878 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1117 23.583 -5.474 -11.256 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1117 22.735 -6.436 -10.453 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1118 25.203 -5.842 -8.815 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1118 24.891 -5.060 -8.359 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1118 24.553 -5.995 -9.501 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1119 22.123 -9.644 -9.586 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1119 22.193 -8.993 -8.888 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1119 21.232 -9.541 -9.921 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1120 23.442 -3.770 -8.051 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1120 23.450 -3.906 -8.999 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1120 22.526 -3.888 -7.799 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1121 18.790 -4.797 -13.877 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1121 19.736 -4.941 -13.896 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1121 18.677 -4.013 -13.340 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1122 21.288 -6.254 -9.718 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1122 21.505 -6.615 -8.858 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1122 20.433 -6.628 -9.928 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1123 21.748 -12.498 -10.760 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1123 21.710 -12.098 -9.892 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1123 21.257 -13.315 -10.670 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1124 26.217 -10.508 -7.346 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1124 25.921 -10.674 -8.241 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1124 27.148 -10.728 -7.356 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1125 20.834 -15.272 -10.001 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1125 19.941 -14.933 -10.068 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1125 20.735 -16.127 -9.583 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1126 20.485 -3.467 -11.566 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1126 20.702 -4.399 -11.597 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1126 20.732 -3.193 -10.682 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1127 19.696 -1.580 -7.213 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1127 20.236 -1.797 -6.454 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1127 19.215 -2.386 -7.403 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1128 24.293 -2.661 -5.593 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1128 25.061 -3.120 -5.252 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1128 24.272 -2.887 -6.523 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1129 26.258 -7.800 -6.826 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1129 25.930 -7.529 -7.684 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1129 26.410 -8.741 -6.914 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1130 24.382 -11.561 -9.465 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1130 23.764 -10.886 -9.184 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1130 24.726 -11.240 -10.298 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1131 24.722 -14.206 -8.382 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1131 24.872 -14.935 -8.985 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1131 24.724 -13.429 -8.941 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1132 23.200 -13.008 -6.471 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1132 22.433 -13.540 -6.681 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1132 23.879 -13.318 -7.070 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1133 21.381 -15.087 -6.766 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1133 21.592 -15.794 -7.377 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1133 21.269 -15.525 -5.922 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1134 19.229 -9.335 -13.741 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1134 19.413 -9.417 -14.676 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1134 20.078 -9.459 -13.317 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1135 18.827 -14.064 -7.600 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1135 19.746 -14.186 -7.364 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1135 18.377 -14.814 -7.211 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1136 18.352 -12.753 -13.640 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1136 18.844 -12.974 -14.430 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1136 18.714 -11.912 -13.359 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1137 20.821 -4.582 -7.097 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1137 20.000 -4.407 -7.557 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1137 20.569 -4.655 -6.176 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1138 23.775 -3.607 -10.838 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1138 23.350 -2.798 -11.121 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1138 24.680 -3.522 -11.140 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1139 21.485 -10.224 6.416 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1139 21.527 -10.850 7.140 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1139 22.188 -9.601 6.598 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1140 22.409 -5.774 4.951 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1140 22.039 -6.576 4.582 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1140 23.350 -5.943 4.998 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1141 19.019 -12.114 0.344 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1141 18.571 -11.268 0.326 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1141 18.458 -12.694 -0.171 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1142 20.422 -12.514 3.591 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1142 21.076 -13.064 4.023 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1142 20.446 -12.788 2.675 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1143 25.578 -10.964 2.807 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1143 26.194 -11.490 3.316 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1143 24.992 -11.604 2.403 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1144 23.956 -9.010 1.691 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1144 23.626 -9.380 0.872 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1144 24.544 -9.680 2.037 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1145 25.323 -5.582 4.372 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1145 25.228 -6.160 3.615 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1145 26.052 -5.953 4.868 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1146 24.323 -10.241 5.324 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1146 24.888 -10.120 4.561 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1146 24.642 -9.604 5.963 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1147 22.123 -9.644 9.270 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1147 22.193 -8.993 9.968 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1147 21.232 -9.541 8.935 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1148 19.039 -7.577 8.095 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1148 18.538 -7.605 7.280 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1148 19.045 -8.483 8.405 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1149 22.034 -1.996 1.124 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1149 22.186 -2.344 2.003 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1149 21.183 -2.352 0.869 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1150 23.995 -12.597 1.141 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1150 23.102 -12.938 1.082 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1150 24.446 -12.974 0.385 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1151 21.748 -12.498 8.096 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1151 21.710 -12.098 8.964 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1151 21.257 -13.315 8.186 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1152 18.356 -15.382 1.946 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1152 18.987 -15.411 2.666 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1152 18.806 -15.807 1.216 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1153 19.631 -14.636 -2.630 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1153 20.105 -14.045 -3.215 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1153 18.913 -14.105 -2.283 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1154 21.405 -13.541 1.054 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1154 20.516 -13.441 0.714 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1154 21.701 -14.383 0.708 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1155 25.058 -13.541 -1.290 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1155 25.990 -13.412 -1.112 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1155 24.843 -12.871 -1.939 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1156 23.732 -12.346 -3.723 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1156 23.190 -12.726 -4.414 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1156 24.566 -12.152 -4.152 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1157 27.067 -7.781 -1.787 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1157 26.323 -8.288 -2.110 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1157 26.933 -7.732 -0.841 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1158 22.192 -8.486 3.982 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1158 22.937 -8.488 3.381 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1158 22.270 -9.310 4.464 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1159 19.200 -10.025 9.297 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1159 19.423 -10.443 10.129 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1159 18.598 -10.638 8.875 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1160 24.567 -4.968 1.387 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1160 25.094 -4.195 1.186 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1160 23.687 -4.743 1.085 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1161 25.994 -7.305 0.963 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1161 25.753 -6.380 1.005 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1161 25.254 -7.764 1.359 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1162 24.678 -2.283 0.508 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1162 23.728 -2.178 0.560 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1162 25.029 -1.463 0.853 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1163 20.834 -15.272 8.855 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1163 19.941 -14.933 8.788 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1163 20.735 -16.127 9.273 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1164 20.485 -3.467 7.290 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1164 20.702 -4.399 7.259 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1164 20.732 -3.193 8.174 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1165 26.347 -5.016 -5.500 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1165 26.586 -5.764 -6.048 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1165 26.078 -5.404 -4.668 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1166 25.284 -5.446 -3.044 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1166 25.431 -5.966 -2.254 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1166 25.281 -4.539 -2.738 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1167 28.022 -3.748 -2.295 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1167 27.205 -3.251 -2.242 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1167 28.551 -3.273 -2.935 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1168 25.360 -2.705 -2.313 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1168 25.521 -1.905 -2.814 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1168 25.163 -2.398 -1.428 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1169 20.669 -12.915 -4.521 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1169 20.624 -11.976 -4.342 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1169 19.781 -13.151 -4.791 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1170 23.944 -7.426 -5.271 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1170 24.008 -8.220 -4.740 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1170 24.597 -7.545 -5.960 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1171 20.435 -10.570 12.017 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1171 20.843 -11.427 11.896 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1171 20.175 -10.555 12.938 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1172 25.093 -9.454 -2.965 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1172 24.634 -9.938 -2.279 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1172 25.348 -10.122 -3.601 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1173 26.164 -11.211 -4.702 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1173 25.984 -11.365 -5.630 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1173 27.115 -11.103 -4.658 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1174 23.200 -13.008 12.385 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1174 22.433 -13.540 12.175 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1174 23.879 -13.318 11.786 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1175 27.204 -14.058 11.961 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1175 26.968 -14.278 12.863 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1175 26.421 -14.265 11.452 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1176 21.381 -15.087 12.090 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1176 21.592 -15.794 11.479 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1176 21.269 -15.525 12.934 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1177 26.162 -19.086 11.069 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1177 26.874 -19.726 11.055 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1177 26.061 -18.819 10.155 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1178 26.515 -17.403 13.123 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1178 26.384 -17.879 12.302 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1178 25.916 -16.659 13.067 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1179 18.279 -0.491 0.859 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1179 17.632 -0.953 0.326 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1179 18.634 -1.163 1.442 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1180 19.149 -2.410 2.664 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1180 18.815 -3.291 2.836 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1180 19.371 -2.065 3.528 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1181 19.229 -9.335 5.115 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1181 19.413 -9.417 4.180 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1181 20.078 -9.459 5.539 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1182 18.827 -14.064 11.256 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1182 19.746 -14.186 11.492 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1182 18.377 -14.814 11.645 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1183 20.048 -15.752 4.147 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1183 20.493 -16.544 4.449 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1183 20.514 -15.036 4.578 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1184 18.352 -12.753 5.216 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1184 18.844 -12.974 4.426 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1184 18.714 -11.912 5.497 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1185 18.629 -17.757 7.615 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1185 17.964 -18.003 8.258 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1185 18.186 -17.135 7.038 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1186 21.177 -0.351 8.065 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1186 20.457 0.089 7.614 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1186 20.811 -0.602 8.914 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1187 20.592 -1.728 4.976 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1187 20.573 -2.153 5.833 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1187 21.397 -2.046 4.567 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1188 22.733 -3.018 3.631 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1188 22.514 -3.934 3.800 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1188 23.557 -2.878 4.097 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1189 21.803 -16.536 -4.308 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1189 22.294 -17.166 -4.836 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1189 22.426 -16.240 -3.645 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1190 21.063 -17.736 10.963 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1190 20.697 -18.501 11.406 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1190 21.976 -17.707 11.250 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1191 23.036 -18.385 12.499 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1191 23.935 -18.659 12.314 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1191 22.650 -19.128 12.963 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1192 21.661 -1.584 -4.828 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1192 21.393 -1.297 -3.955 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1192 22.432 -2.130 -4.676 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1193 29.117 -9.839 23.679 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1193 29.079 -10.485 24.384 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1193 28.794 -10.305 22.908 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1194 22.409 -5.774 23.807 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1194 22.039 -6.576 23.438 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1194 23.350 -5.943 23.854 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1195 27.506 -7.406 24.085 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1195 27.810 -8.092 23.491 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1195 28.228 -7.288 24.703 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1196 30.647 -13.012 24.413 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1196 30.790 -13.959 24.433 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1196 30.541 -12.805 23.484 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1197 31.524 -14.780 20.086 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1197 32.170 -15.109 20.711 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1197 32.034 -14.262 19.463 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1198 23.589 -6.353 26.834 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1198 23.583 -5.474 26.456 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1198 22.735 -6.436 27.259 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1199 19.710 -6.682 17.616 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1199 19.438 -6.453 16.727 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1199 19.755 -5.844 18.076 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1200 26.638 -18.687 23.212 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1200 26.521 -19.636 23.158 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1200 25.783 -18.355 23.485 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1201 28.905 -9.850 17.712 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1201 28.193 -9.315 17.361 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1201 29.596 -9.794 17.052 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1202 32.208 -11.466 27.732 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1202 32.288 -10.703 28.304 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1202 31.607 -11.187 27.041 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1203 25.323 -5.582 23.228 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1203 25.228 -6.160 22.471 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1203 26.052 -5.953 23.724 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1204 23.442 -3.770 29.661 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1204 23.450 -3.906 28.713 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1204 22.526 -3.888 29.913 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1205 19.039 -7.577 26.951 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1205 18.538 -7.605 26.136 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1205 19.045 -8.483 27.261 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1206 18.790 -4.797 23.835 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1206 19.736 -4.941 23.816 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1206 18.677 -4.013 24.372 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1207 27.966 -4.557 28.393 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1207 28.053 -3.731 28.868 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1207 27.102 -4.887 28.642 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1208 21.288 -6.254 27.994 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1208 21.505 -6.615 28.854 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1208 20.433 -6.628 27.784 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1209 28.570 -18.062 27.364 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1209 28.990 -18.477 28.117 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1209 27.637 -18.240 27.481 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1210 28.232 -15.569 14.649 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1210 27.978 -15.550 15.572 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1210 27.975 -16.441 14.348 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1211 29.531 -12.181 18.814 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1211 29.122 -11.366 18.522 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1211 30.251 -12.321 18.199 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1212 28.633 -12.006 30.302 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1212 28.070 -12.710 30.622 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1212 29.459 -12.126 30.769 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1213 25.114 -15.124 13.750 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1213 24.683 -15.569 14.480 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1213 24.396 -14.752 13.238 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1214 19.631 -14.636 16.226 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1214 20.105 -14.045 15.641 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1214 18.913 -14.105 16.573 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1215 29.799 -11.097 26.299 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1215 30.123 -11.728 25.656 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1215 29.359 -11.632 26.960 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1216 25.058 -13.541 17.566 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1216 25.990 -13.412 17.744 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1216 24.843 -12.871 16.917 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1217 23.732 -12.346 15.133 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1217 23.190 -12.726 14.442 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1217 24.566 -12.152 14.704 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1218 27.897 -12.382 22.970 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1218 28.461 -12.929 22.423 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1218 27.749 -12.904 23.759 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1219 27.067 -7.781 17.069 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1219 26.323 -8.288 16.746 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1219 26.933 -7.732 18.015 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1220 30.965 -14.967 15.268 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1220 30.027 -14.855 15.117 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1220 31.262 -14.110 15.574 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1221 28.587 -7.597 28.306 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1221 28.241 -7.978 29.112 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1221 28.387 -6.663 28.377 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1222 30.837 -5.135 28.256 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1222 29.936 -4.952 27.988 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1222 30.871 -4.876 29.177 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1223 24.567 -4.968 20.243 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1223 25.094 -4.195 20.042 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1223 23.687 -4.743 19.941 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1224 20.322 -10.106 14.830 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1224 20.938 -9.479 15.209 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1224 19.460 -9.790 15.101 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1225 25.994 -7.305 19.819 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1225 25.753 -6.380 19.861 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1225 25.254 -7.764 20.215 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1226 26.509 -3.156 26.134 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1226 26.872 -2.301 25.901 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1226 27.041 -3.448 26.875 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1227 30.053 -7.057 25.835 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1227 29.627 -7.284 26.661 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1227 30.634 -7.795 25.652 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1228 20.485 -3.467 26.146 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1228 20.702 -4.399 26.115 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1228 20.732 -3.193 27.030 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1229 21.737 -8.193 16.322 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1229 21.051 -7.841 16.889 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1229 22.260 -7.430 16.076 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1230 29.569 -15.531 26.601 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1230 30.267 -15.457 27.251 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1230 29.188 -16.395 26.756 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1231 30.353 -15.879 17.698 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1231 30.573 -15.407 16.895 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1231 30.911 -15.484 18.369 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1232 27.553 -14.151 18.533 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1232 28.365 -13.647 18.579 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1232 27.308 -14.296 19.447 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1233 28.089 -13.165 27.718 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1233 28.208 -12.591 28.475 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1233 28.744 -13.853 27.833 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1234 20.669 -12.915 14.335 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1234 20.624 -11.976 14.514 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1234 19.781 -13.151 14.065 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1235 20.407 -4.193 19.169 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1235 19.575 -3.720 19.196 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1235 20.953 -3.683 18.570 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1236 24.293 -2.661 32.119 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1236 25.061 -3.120 32.460 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1236 24.272 -2.887 31.189 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1237 19.603 -7.770 31.453 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1237 19.747 -8.672 31.167 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1237 18.830 -7.484 30.965 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1238 31.993 -7.884 28.269 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1238 32.738 -7.296 28.149 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1238 31.236 -7.302 28.332 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1239 25.093 -9.454 15.891 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1239 24.634 -9.938 16.577 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1239 25.348 -10.122 15.255 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1240 26.164 -11.211 14.154 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1240 25.984 -11.365 13.226 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1240 27.115 -11.103 14.198 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1241 29.402 -9.090 31.525 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1241 30.355 -9.006 31.497 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1241 29.242 -9.801 32.144 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1242 31.132 -12.582 32.090 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1242 31.324 -13.513 31.979 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1242 31.989 -12.157 32.080 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1243 32.448 -9.793 30.168 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1243 32.167 -9.084 29.590 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1243 33.391 -9.866 30.017 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1244 25.940 -18.380 27.254 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1244 25.842 -17.433 27.148 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1244 25.197 -18.752 26.778 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1245 27.204 -14.058 30.817 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1245 26.968 -14.278 31.719 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1245 26.421 -14.265 30.308 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1246 29.920 -14.931 29.893 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1246 28.972 -14.899 30.025 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1246 30.232 -15.556 30.547 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1247 26.162 -19.086 29.925 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1247 26.874 -19.726 29.911 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1247 26.061 -18.819 29.011 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1248 26.515 -17.403 31.979 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1248 26.384 -17.879 31.158 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1248 25.916 -16.659 31.923 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1249 19.229 -9.335 23.971 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1249 19.413 -9.417 23.036 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1249 20.078 -9.459 24.395 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1250 20.821 -4.582 30.615 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1250 20.000 -4.407 30.155 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1250 20.569 -4.655 31.536 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1251 23.775 -3.607 26.874 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1251 23.350 -2.798 26.591 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1251 24.680 -3.522 26.572 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1252 28.779 -16.884 22.480 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1252 28.104 -17.513 22.735 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1252 29.343 -17.368 21.877 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1253 31.242 -18.293 21.764 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1253 31.318 -18.198 20.815 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1253 30.966 -19.201 21.893 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1254 32.595 -18.267 17.457 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1254 31.892 -17.653 17.247 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1254 32.150 -19.105 17.588 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1255 19.019 -12.114 38.056 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1255 18.571 -11.268 38.038 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1255 18.458 -12.694 37.541 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1256 23.802 -14.911 40.541 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1256 23.845 -14.051 40.123 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1256 23.344 -15.463 39.908 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1257 28.959 -11.392 33.607 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1257 29.660 -11.370 34.258 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1257 29.261 -12.020 32.951 0.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1258 22.946 -9.940 36.992 0.00 0.00 WAT1 ATOM 5753 H1 TIP3 1258 22.654 -9.172 36.501 0.00 0.00 WAT1 ATOM 5754 H2 TIP3 1258 22.272 -10.600 36.829 0.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1259 28.232 -15.569 33.505 0.00 0.00 WAT1 ATOM 5756 H1 TIP3 1259 27.978 -15.550 34.428 0.00 0.00 WAT1 ATOM 5757 H2 TIP3 1259 27.975 -16.441 33.204 0.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1260 23.995 -12.597 38.853 0.00 0.00 WAT1 ATOM 5759 H1 TIP3 1260 23.102 -12.938 38.794 0.00 0.00 WAT1 ATOM 5760 H2 TIP3 1260 24.446 -12.974 38.097 0.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1261 18.356 -15.382 39.658 0.00 0.00 WAT1 ATOM 5762 H1 TIP3 1261 18.987 -15.411 40.378 0.00 0.00 WAT1 ATOM 5763 H2 TIP3 1261 18.806 -15.807 38.928 0.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1262 26.577 -15.170 39.939 0.00 0.00 WAT1 ATOM 5765 H1 TIP3 1262 25.666 -15.113 40.228 0.00 0.00 WAT1 ATOM 5766 H2 TIP3 1262 27.082 -15.230 40.750 0.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1263 21.405 -13.541 38.766 0.00 0.00 WAT1 ATOM 5768 H1 TIP3 1263 20.516 -13.441 38.426 0.00 0.00 WAT1 ATOM 5769 H2 TIP3 1263 21.701 -14.383 38.420 0.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1264 25.058 -13.541 36.422 0.00 0.00 WAT1 ATOM 5771 H1 TIP3 1264 25.990 -13.412 36.600 0.00 0.00 WAT1 ATOM 5772 H2 TIP3 1264 24.843 -12.871 35.773 0.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1265 22.899 -16.246 38.244 0.00 0.00 WAT1 ATOM 5774 H1 TIP3 1265 22.582 -17.148 38.209 0.00 0.00 WAT1 ATOM 5775 H2 TIP3 1265 23.680 -16.244 37.692 0.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1266 27.067 -7.781 35.925 0.00 0.00 WAT1 ATOM 5777 H1 TIP3 1266 26.323 -8.288 35.602 0.00 0.00 WAT1 ATOM 5778 H2 TIP3 1266 26.933 -7.732 36.871 0.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1267 20.322 -10.106 33.686 0.00 0.00 WAT1 ATOM 5780 H1 TIP3 1267 20.938 -9.479 34.065 0.00 0.00 WAT1 ATOM 5781 H2 TIP3 1267 19.460 -9.790 33.957 0.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1268 26.347 -5.016 32.212 0.00 0.00 WAT1 ATOM 5783 H1 TIP3 1268 26.586 -5.764 31.664 0.00 0.00 WAT1 ATOM 5784 H2 TIP3 1268 26.078 -5.404 33.044 0.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1269 25.284 -5.446 34.668 0.00 0.00 WAT1 ATOM 5786 H1 TIP3 1269 25.431 -5.966 35.458 0.00 0.00 WAT1 ATOM 5787 H2 TIP3 1269 25.281 -4.539 34.974 0.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1270 21.737 -8.193 35.178 0.00 0.00 WAT1 ATOM 5789 H1 TIP3 1270 21.051 -7.841 35.745 0.00 0.00 WAT1 ATOM 5790 H2 TIP3 1270 22.260 -7.430 34.932 0.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1271 27.553 -14.151 37.389 0.00 0.00 WAT1 ATOM 5792 H1 TIP3 1271 28.365 -13.647 37.435 0.00 0.00 WAT1 ATOM 5793 H2 TIP3 1271 27.308 -14.296 38.303 0.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1272 28.437 -17.070 38.327 0.00 0.00 WAT1 ATOM 5795 H1 TIP3 1272 28.090 -16.452 38.972 0.00 0.00 WAT1 ATOM 5796 H2 TIP3 1272 29.095 -16.569 37.846 0.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1273 22.353 -5.579 34.075 0.00 0.00 WAT1 ATOM 5798 H1 TIP3 1273 22.945 -4.880 34.351 0.00 0.00 WAT1 ATOM 5799 H2 TIP3 1273 22.812 -6.012 33.356 0.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1274 23.944 -7.426 32.441 0.00 0.00 WAT1 ATOM 5801 H1 TIP3 1274 24.008 -8.220 32.972 0.00 0.00 WAT1 ATOM 5802 H2 TIP3 1274 24.597 -7.545 31.752 0.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1275 29.296 -6.379 32.177 0.00 0.00 WAT1 ATOM 5804 H1 TIP3 1275 29.028 -6.199 33.078 0.00 0.00 WAT1 ATOM 5805 H2 TIP3 1275 29.090 -7.305 32.046 0.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1276 25.093 -9.454 34.747 0.00 0.00 WAT1 ATOM 5807 H1 TIP3 1276 24.634 -9.938 35.433 0.00 0.00 WAT1 ATOM 5808 H2 TIP3 1276 25.348 -10.122 34.111 0.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1277 26.164 -11.211 33.010 0.00 0.00 WAT1 ATOM 5810 H1 TIP3 1277 25.984 -11.365 32.082 0.00 0.00 WAT1 ATOM 5811 H2 TIP3 1277 27.115 -11.103 33.054 0.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1278 19.630 -5.884 33.494 0.00 0.00 WAT1 ATOM 5813 H1 TIP3 1278 20.544 -5.805 33.767 0.00 0.00 WAT1 ATOM 5814 H2 TIP3 1278 19.637 -6.571 32.827 0.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1279 18.665 -16.495 36.983 0.00 0.00 WAT1 ATOM 5816 H1 TIP3 1279 17.740 -16.286 36.853 0.00 0.00 WAT1 ATOM 5817 H2 TIP3 1279 19.119 -16.011 36.293 0.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1280 21.105 -18.250 39.158 0.00 0.00 WAT1 ATOM 5819 H1 TIP3 1280 20.328 -18.484 38.650 0.00 0.00 WAT1 ATOM 5820 H2 TIP3 1280 21.636 -19.047 39.166 0.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1281 25.685 -18.323 38.971 0.00 0.00 WAT1 ATOM 5822 H1 TIP3 1281 26.559 -17.935 38.941 0.00 0.00 WAT1 ATOM 5823 H2 TIP3 1281 25.549 -18.538 39.894 0.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1282 26.829 -16.243 35.861 0.00 0.00 WAT1 ATOM 5825 H1 TIP3 1282 27.007 -16.889 36.544 0.00 0.00 WAT1 ATOM 5826 H2 TIP3 1282 26.775 -15.409 36.328 0.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1283 18.356 3.474 1.946 0.00 0.00 WAT1 ATOM 5828 H1 TIP3 1283 18.987 3.445 2.666 0.00 0.00 WAT1 ATOM 5829 H2 TIP3 1283 18.806 3.049 1.216 0.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1284 21.477 0.723 4.152 0.00 0.00 WAT1 ATOM 5831 H1 TIP3 1284 21.248 0.782 3.225 0.00 0.00 WAT1 ATOM 5832 H2 TIP3 1284 21.034 -0.069 4.459 0.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1285 20.048 3.104 4.147 0.00 0.00 WAT1 ATOM 5834 H1 TIP3 1285 20.493 2.312 4.449 0.00 0.00 WAT1 ATOM 5835 H2 TIP3 1285 20.514 3.820 4.578 0.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1286 18.665 2.361 -0.729 0.00 0.00 WAT1 ATOM 5837 H1 TIP3 1286 17.740 2.570 -0.859 0.00 0.00 WAT1 ATOM 5838 H2 TIP3 1286 19.119 2.845 -1.419 0.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1287 18.629 1.099 7.615 0.00 0.00 WAT1 ATOM 5840 H1 TIP3 1287 17.964 0.853 8.258 0.00 0.00 WAT1 ATOM 5841 H2 TIP3 1287 18.186 1.721 7.038 0.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1288 21.105 0.606 1.446 0.00 0.00 WAT1 ATOM 5843 H1 TIP3 1288 20.328 0.372 0.938 0.00 0.00 WAT1 ATOM 5844 H2 TIP3 1288 21.636 -0.191 1.454 0.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1289 19.942 0.404 -2.751 0.00 0.00 WAT1 ATOM 5846 H1 TIP3 1289 20.381 1.015 -3.342 0.00 0.00 WAT1 ATOM 5847 H2 TIP3 1289 19.308 0.942 -2.277 0.00 0.00 WAT1 END