REMARK FILENAME="/farm/data/gliu/projects/HR3102A/cns/calc7f1a_hb/refinedPDB_" 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:17-Dec-2009 14:30:08 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 -4.956 2.330 1.026 1.00 54.04 ATOM 2 CB MET 1 -5.251 1.990 3.118 1.00 74.33 ATOM 3 HB1 MET 1 -4.197 1.822 3.289 1.00 38.02 ATOM 4 HB2 MET 1 -5.725 1.032 2.957 1.00 52.14 ATOM 5 CG MET 1 -5.864 2.616 4.360 1.00 40.01 ATOM 6 HG1 MET 1 -6.181 1.815 5.011 1.00 38.02 ATOM 7 HG2 MET 1 -6.727 3.210 4.098 1.00 2.43 ATOM 8 SD MET 1 -4.702 3.666 5.254 1.00 61.15 ATOM 9 CE MET 1 -4.777 2.939 6.889 1.00 72.23 ATOM 10 HE1 MET 1 -5.788 2.998 7.263 1.00 13.30 ATOM 11 HE2 MET 1 -4.116 3.476 7.553 1.00 55.42 ATOM 12 HE3 MET 1 -4.472 1.904 6.837 1.00 11.21 ATOM 13 C MET 1 -6.894 3.045 1.554 1.00 40.42 ATOM 14 O MET 1 -7.368 4.176 1.452 1.00 34.04 ATOM 15 N MET 1 -4.738 4.125 2.026 1.00 3.41 ATOM 16 HT1 MET 1 -4.675 4.609 1.107 1.00 38.02 ATOM 17 HT2 MET 1 -3.770 3.991 2.391 1.00 38.02 ATOM 18 HT3 MET 1 -5.262 4.741 2.682 1.00 38.02 ATOM 19 CA MET 1 -5.413 2.844 1.859 1.00 71.22 ATOM 20 N GLY 2 -7.620 1.941 1.408 1.00 23.21 ATOM 21 HN GLY 2 -7.197 1.056 1.480 1.00 38.02 ATOM 22 CA GLY 2 -9.039 2.019 1.116 1.00 60.23 ATOM 23 HA1 GLY 2 -9.323 3.034 0.865 1.00 38.02 ATOM 24 HA2 GLY 2 -9.587 1.719 1.996 1.00 73.44 ATOM 25 C GLY 2 -9.445 1.115 -0.032 1.00 10.42 ATOM 26 O GLY 2 -10.432 0.385 0.063 1.00 40.03 ATOM 27 N HIS 3 -8.684 1.165 -1.120 1.00 45.22 ATOM 28 HN HIS 3 -7.899 1.763 -1.141 1.00 38.02 ATOM 29 CA HIS 3 -8.970 0.345 -2.292 1.00 53.30 ATOM 30 HA HIS 3 -9.980 -0.038 -2.215 1.00 14.44 ATOM 31 CB HIS 3 -8.842 1.179 -3.568 1.00 24.55 ATOM 32 HB1 HIS 3 -8.608 0.535 -4.408 1.00 38.02 ATOM 33 HB2 HIS 3 -8.046 1.900 -3.448 1.00 64.51 ATOM 34 CG HIS 3 -10.088 1.930 -3.920 1.00 40.50 ATOM 35 ND1 HIS 3 -10.088 3.058 -4.714 1.00 24.11 ATOM 36 HD1 HIS 3 -9.298 3.474 -5.118 1.00 25.22 ATOM 37 CD2 HIS 3 -11.380 1.710 -3.583 1.00 73.43 ATOM 38 HD2 HIS 3 -11.756 0.906 -2.967 1.00 50.31 ATOM 39 CE1 HIS 3 -11.326 3.499 -4.849 1.00 5.12 ATOM 40 HE1 HIS 3 -11.630 4.366 -5.417 1.00 15.45 ATOM 41 NE2 HIS 3 -12.129 2.698 -4.173 1.00 13.23 ATOM 42 HE2 HIS 3 -13.108 2.743 -4.179 1.00 38.02 ATOM 43 C HIS 3 -8.031 -0.856 -2.358 1.00 14.52 ATOM 44 O HIS 3 -6.885 -0.786 -1.913 1.00 14.35 ATOM 45 N HIS 4 -8.525 -1.957 -2.915 1.00 41.33 ATOM 46 HN HIS 4 -9.450 -1.949 -3.261 1.00 38.02 ATOM 47 CA HIS 4 -7.730 -3.173 -3.039 1.00 62.31 ATOM 48 HA HIS 4 -7.281 -3.379 -2.071 1.00 74.52 ATOM 49 CB HIS 4 -8.622 -4.354 -3.425 1.00 43.43 ATOM 50 HB1 HIS 4 -8.005 -5.208 -3.678 1.00 38.02 ATOM 51 HB2 HIS 4 -9.216 -4.081 -4.284 1.00 43.40 ATOM 52 CG HIS 4 -9.559 -4.777 -2.337 1.00 34.01 ATOM 53 ND1 HIS 4 -9.598 -6.060 -1.833 1.00 63.25 ATOM 54 HD1 HIS 4 -9.035 -6.807 -2.125 1.00 50.32 ATOM 55 CD2 HIS 4 -10.496 -4.078 -1.654 1.00 30.33 ATOM 56 HD2 HIS 4 -10.740 -3.033 -1.788 1.00 13.25 ATOM 57 CE1 HIS 4 -10.519 -6.133 -0.889 1.00 44.10 ATOM 58 HE1 HIS 4 -10.771 -7.015 -0.319 1.00 31.24 ATOM 59 NE2 HIS 4 -11.078 -4.943 -0.760 1.00 71.41 ATOM 60 HE2 HIS 4 -11.725 -4.695 -0.067 1.00 38.02 ATOM 61 C HIS 4 -6.623 -2.996 -4.075 1.00 35.23 ATOM 62 O HIS 4 -6.886 -2.644 -5.225 1.00 74.11 ATOM 63 N HIS 5 -5.385 -3.242 -3.659 1.00 11.14 ATOM 64 HN HIS 5 -5.229 -3.533 -2.730 1.00 38.02 ATOM 65 CA HIS 5 -4.239 -3.109 -4.550 1.00 65.34 ATOM 66 HA HIS 5 -4.553 -2.602 -5.457 1.00 13.10 ATOM 67 CB HIS 5 -3.142 -2.277 -3.885 1.00 62.31 ATOM 68 HB1 HIS 5 -2.672 -2.851 -3.096 1.00 38.02 ATOM 69 HB2 HIS 5 -3.591 -1.394 -3.453 1.00 21.33 ATOM 70 CG HIS 5 -2.078 -1.820 -4.835 1.00 1.42 ATOM 71 ND1 HIS 5 -2.357 -1.212 -6.041 1.00 65.20 ATOM 72 HD1 HIS 5 -3.252 -1.022 -6.393 1.00 23.45 ATOM 73 CD2 HIS 5 -0.729 -1.882 -4.749 1.00 45.14 ATOM 74 HD2 HIS 5 -0.157 -2.298 -3.931 1.00 24.34 ATOM 75 CE1 HIS 5 -1.225 -0.922 -6.657 1.00 65.33 ATOM 76 HE1 HIS 5 -1.135 -0.441 -7.620 1.00 43.14 ATOM 77 NE2 HIS 5 -0.222 -1.318 -5.894 1.00 44.03 ATOM 78 HE2 HIS 5 0.723 -1.308 -6.153 1.00 38.02 ATOM 79 C HIS 5 -3.690 -4.479 -4.937 1.00 60.43 ATOM 80 O HIS 5 -2.646 -4.905 -4.441 1.00 15.34 ATOM 81 N HIS 6 -4.400 -5.166 -5.826 1.00 73.54 ATOM 82 HN HIS 6 -5.228 -4.782 -6.194 1.00 38.02 ATOM 83 CA HIS 6 -3.984 -6.489 -6.280 1.00 14.12 ATOM 84 HA HIS 6 -4.718 -6.817 -6.999 1.00 74.01 ATOM 85 CB HIS 6 -2.605 -6.416 -6.935 1.00 22.23 ATOM 86 HB1 HIS 6 -1.830 -6.470 -6.180 1.00 38.02 ATOM 87 HB2 HIS 6 -2.513 -5.476 -7.461 1.00 43.00 ATOM 88 CG HIS 6 -2.356 -7.507 -7.930 1.00 60.31 ATOM 89 ND1 HIS 6 -1.095 -7.859 -8.362 1.00 45.42 ATOM 90 HD1 HIS 6 -0.255 -7.445 -8.073 1.00 70.03 ATOM 91 CD2 HIS 6 -3.216 -8.328 -8.578 1.00 1.04 ATOM 92 HD2 HIS 6 -4.292 -8.336 -8.482 1.00 3.23 ATOM 93 CE1 HIS 6 -1.189 -8.847 -9.234 1.00 14.14 ATOM 94 HE1 HIS 6 -0.363 -9.326 -9.739 1.00 11.21 ATOM 95 NE2 HIS 6 -2.466 -9.151 -9.382 1.00 12.24 ATOM 96 HE2 HIS 6 -2.810 -9.910 -9.898 1.00 38.02 ATOM 97 C HIS 6 -3.958 -7.478 -5.118 1.00 42.14 ATOM 98 O HIS 6 -3.062 -8.317 -5.025 1.00 24.42 ATOM 99 N HIS 7 -4.945 -7.373 -4.235 1.00 13.42 ATOM 100 HN HIS 7 -5.654 -6.702 -4.373 1.00 38.02 ATOM 101 CA HIS 7 -5.035 -8.258 -3.079 1.00 3.20 ATOM 102 HA HIS 7 -4.030 -8.450 -2.716 1.00 33.33 ATOM 103 CB HIS 7 -5.846 -7.596 -1.965 1.00 20.03 ATOM 104 HB1 HIS 7 -6.084 -8.328 -1.203 1.00 38.02 ATOM 105 HB2 HIS 7 -6.764 -7.207 -2.379 1.00 55.54 ATOM 106 CG HIS 7 -5.130 -6.464 -1.294 1.00 32.42 ATOM 107 ND1 HIS 7 -5.785 -5.417 -0.681 1.00 34.55 ATOM 108 HD1 HIS 7 -6.757 -5.306 -0.623 1.00 62.11 ATOM 109 CD2 HIS 7 -3.808 -6.220 -1.140 1.00 63.15 ATOM 110 HD2 HIS 7 -2.997 -6.838 -1.497 1.00 73.15 ATOM 111 CE1 HIS 7 -4.897 -4.577 -0.180 1.00 61.45 ATOM 112 HE1 HIS 7 -5.120 -3.667 0.357 1.00 73.35 ATOM 113 NE2 HIS 7 -3.689 -5.042 -0.446 1.00 11.34 ATOM 114 HE2 HIS 7 -2.850 -4.568 -0.269 1.00 38.02 ATOM 115 C HIS 7 -5.669 -9.591 -3.464 1.00 14.15 ATOM 116 O HIS 7 -6.453 -9.667 -4.410 1.00 54.11 ATOM 117 N HIS 8 -5.325 -10.640 -2.724 1.00 22.23 ATOM 118 HN HIS 8 -4.692 -10.527 -1.979 1.00 38.02 ATOM 119 CA HIS 8 -5.861 -11.971 -2.988 1.00 1.24 ATOM 120 HA HIS 8 -6.564 -11.918 -3.813 1.00 15.41 ATOM 121 CB HIS 8 -4.735 -12.930 -3.376 1.00 50.51 ATOM 122 HB1 HIS 8 -5.146 -13.918 -3.538 1.00 38.02 ATOM 123 HB2 HIS 8 -4.014 -12.974 -2.573 1.00 41.52 ATOM 124 CG HIS 8 -4.010 -12.528 -4.624 1.00 33.02 ATOM 125 ND1 HIS 8 -2.663 -12.237 -4.651 1.00 2.53 ATOM 126 HD1 HIS 8 -2.057 -12.261 -3.881 1.00 50.02 ATOM 127 CD2 HIS 8 -4.453 -12.372 -5.893 1.00 41.14 ATOM 128 HD2 HIS 8 -5.466 -12.519 -6.241 1.00 14.43 ATOM 129 CE1 HIS 8 -2.308 -11.917 -5.882 1.00 53.25 ATOM 130 HE1 HIS 8 -1.314 -11.642 -6.202 1.00 43.42 ATOM 131 NE2 HIS 8 -3.376 -11.992 -6.656 1.00 52.31 ATOM 132 HE2 HIS 8 -3.413 -11.715 -7.595 1.00 38.02 ATOM 133 C HIS 8 -6.605 -12.508 -1.769 1.00 21.32 ATOM 134 O HIS 8 -6.343 -12.097 -0.639 1.00 12.05 ATOM 135 N SER 9 -7.534 -13.429 -2.007 1.00 25.01 ATOM 136 HN SER 9 -7.702 -13.729 -2.930 1.00 38.02 ATOM 137 CA SER 9 -8.319 -14.019 -0.929 1.00 64.31 ATOM 138 HA SER 9 -8.026 -13.578 0.016 1.00 41.05 ATOM 139 CB SER 9 -9.808 -13.744 -1.145 1.00 10.23 ATOM 140 HB1 SER 9 -10.185 -14.355 -1.955 1.00 38.02 ATOM 141 HB2 SER 9 -9.943 -12.701 -1.395 1.00 54.53 ATOM 142 OG SER 9 -10.553 -14.023 0.028 1.00 52.21 ATOM 143 HG SER 9 -10.716 -14.968 0.090 1.00 54.44 ATOM 144 C SER 9 -8.076 -15.523 -0.841 1.00 4.14 ATOM 145 O SER 9 -8.928 -16.274 -0.366 1.00 22.43 ATOM 146 N HIS 10 -6.906 -15.955 -1.302 1.00 31.14 ATOM 147 HN HIS 10 -6.250 -15.320 -1.665 1.00 38.02 ATOM 148 CA HIS 10 -6.549 -17.369 -1.275 1.00 30.14 ATOM 149 HA HIS 10 -7.281 -17.917 -0.693 1.00 31.01 ATOM 150 CB HIS 10 -6.550 -17.944 -2.691 1.00 63.13 ATOM 151 HB1 HIS 10 -6.229 -18.978 -2.660 1.00 38.02 ATOM 152 HB2 HIS 10 -5.864 -17.378 -3.303 1.00 33.33 ATOM 153 CG HIS 10 -7.893 -17.904 -3.353 1.00 63.51 ATOM 154 ND1 HIS 10 -8.693 -19.018 -3.499 1.00 42.14 ATOM 155 HD1 HIS 10 -8.474 -19.924 -3.196 1.00 42.42 ATOM 156 CD2 HIS 10 -8.576 -16.876 -3.908 1.00 32.31 ATOM 157 HD2 HIS 10 -8.248 -15.848 -3.971 1.00 4.02 ATOM 158 CE1 HIS 10 -9.810 -18.677 -4.117 1.00 44.31 ATOM 159 HE1 HIS 10 -10.623 -19.343 -4.367 1.00 32.01 ATOM 160 NE2 HIS 10 -9.764 -17.382 -4.376 1.00 31.24 ATOM 161 HE2 HIS 10 -10.422 -16.889 -4.910 1.00 38.02 ATOM 162 C HIS 10 -5.180 -17.572 -0.631 1.00 54.43 ATOM 163 O HIS 10 -4.199 -17.905 -1.295 1.00 63.12 ATOM 164 N PRO 11 -5.112 -17.365 0.692 1.00 24.12 ATOM 165 CA PRO 11 -3.869 -17.519 1.454 1.00 44.02 ATOM 166 HA PRO 11 -3.073 -16.923 1.026 1.00 52.00 ATOM 167 CB PRO 11 -4.229 -16.967 2.836 1.00 65.44 ATOM 168 HB1 PRO 11 -3.960 -15.923 2.884 1.00 38.02 ATOM 169 HB2 PRO 11 -3.709 -17.509 3.617 1.00 51.55 ATOM 170 CG PRO 11 -5.704 -17.142 2.940 1.00 13.14 ATOM 171 HG1 PRO 11 -6.117 -16.392 3.598 1.00 38.02 ATOM 172 HG2 PRO 11 -5.931 -18.132 3.307 1.00 10.31 ATOM 173 CD PRO 11 -6.242 -16.966 1.547 1.00 11.12 ATOM 174 HD1 PRO 11 -6.510 -15.934 1.377 1.00 38.02 ATOM 175 HD2 PRO 11 -7.094 -17.610 1.397 1.00 53.20 ATOM 176 C PRO 11 -3.430 -18.976 1.559 1.00 10.44 ATOM 177 O PRO 11 -4.235 -19.855 1.863 1.00 24.23 ATOM 178 N ASN 12 -2.149 -19.223 1.307 1.00 43.21 ATOM 179 HN ASN 12 -1.559 -18.484 1.040 1.00 38.02 ATOM 180 CA ASN 12 -1.603 -20.574 1.374 1.00 54.22 ATOM 181 HA ASN 12 -2.338 -21.263 0.975 1.00 60.44 ATOM 182 CB ASN 12 -0.333 -20.676 0.528 1.00 42.34 ATOM 183 HB1 ASN 12 -0.030 -21.710 0.467 1.00 38.02 ATOM 184 HB2 ASN 12 0.460 -20.104 0.994 1.00 62.52 ATOM 185 CG ASN 12 -0.536 -20.164 -0.885 1.00 54.33 ATOM 186 OD1 ASN 12 -1.118 -20.848 -1.728 1.00 2.24 ATOM 187 ND2 ASN 12 -0.057 -18.954 -1.151 1.00 21.11 ATOM 188 HD21 ASN 12 0.399 -18.450 -0.439 1.00 2.53 ATOM 189 HD22 ASN 12 -0.178 -18.606 -2.059 1.00 73.32 ATOM 190 C ASN 12 -1.300 -20.967 2.816 1.00 31.23 ATOM 191 O ASN 12 -1.594 -20.219 3.748 1.00 22.43 ATOM 192 N GLU 13 -0.710 -22.146 2.991 1.00 0.41 ATOM 193 HN GLU 13 -0.527 -22.721 2.213 1.00 38.02 ATOM 194 CA GLU 13 -0.367 -22.638 4.320 1.00 12.21 ATOM 195 HA GLU 13 -1.278 -22.768 4.874 1.00 13.41 ATOM 196 CB GLU 13 0.346 -23.988 4.220 1.00 0.10 ATOM 197 HB1 GLU 13 1.253 -23.856 3.643 1.00 38.02 ATOM 198 HB2 GLU 13 -0.301 -24.681 3.700 1.00 65.30 ATOM 199 CG GLU 13 0.698 -24.592 5.569 1.00 4.41 ATOM 200 HG1 GLU 13 -0.133 -25.198 5.897 1.00 38.02 ATOM 201 HG2 GLU 13 0.877 -23.817 6.299 1.00 13.55 ATOM 202 CD GLU 13 1.930 -25.474 5.509 1.00 30.25 ATOM 203 OE1 GLU 13 2.055 -26.254 4.543 1.00 64.25 ATOM 204 OE2 GLU 13 2.769 -25.384 6.430 1.00 33.25 ATOM 205 C GLU 13 0.516 -21.637 5.060 1.00 61.22 ATOM 206 O GLU 13 0.263 -21.309 6.218 1.00 13.52 ATOM 207 N GLU 14 1.554 -21.158 4.381 1.00 12.11 ATOM 208 HN GLU 14 1.663 -21.421 3.444 1.00 38.02 ATOM 209 CA GLU 14 2.475 -20.196 4.974 1.00 24.24 ATOM 210 HA GLU 14 2.776 -20.567 5.946 1.00 61.23 ATOM 211 CB GLU 14 3.723 -20.045 4.101 1.00 74.42 ATOM 212 HB1 GLU 14 4.492 -19.566 4.690 1.00 38.02 ATOM 213 HB2 GLU 14 3.495 -19.409 3.252 1.00 31.32 ATOM 214 CG GLU 14 4.276 -21.368 3.597 1.00 4.33 ATOM 215 HG1 GLU 14 3.938 -22.177 4.233 1.00 38.02 ATOM 216 HG2 GLU 14 5.354 -21.320 3.633 1.00 25.51 ATOM 217 CD GLU 14 3.865 -21.666 2.169 1.00 72.53 ATOM 218 OE1 GLU 14 3.320 -22.764 1.926 1.00 15.43 ATOM 219 OE2 GLU 14 4.088 -20.804 1.294 1.00 60.23 ATOM 220 C GLU 14 1.802 -18.839 5.157 1.00 2.04 ATOM 221 O GLU 14 2.114 -18.101 6.091 1.00 12.43 ATOM 222 N ALA 15 0.878 -18.518 4.258 1.00 12.43 ATOM 223 HN ALA 15 0.678 -19.138 3.519 1.00 38.02 ATOM 224 CA ALA 15 0.159 -17.251 4.321 1.00 43.14 ATOM 225 HA ALA 15 0.886 -16.448 4.332 1.00 13.32 ATOM 226 CB ALA 15 -0.710 -17.076 3.084 1.00 33.14 ATOM 227 HB1 ALA 15 -0.135 -17.316 2.202 1.00 10.35 ATOM 228 HB2 ALA 15 -1.045 -16.051 3.024 1.00 64.32 ATOM 229 HB3 ALA 15 -1.564 -17.727 3.148 1.00 24.23 ATOM 230 C ALA 15 -0.690 -17.163 5.584 1.00 72.20 ATOM 231 O ALA 15 -0.636 -16.172 6.312 1.00 24.13 ATOM 232 N ARG 16 -1.475 -18.205 5.837 1.00 21.44 ATOM 233 HN ARG 16 -1.478 -18.964 5.208 1.00 38.02 ATOM 234 CA ARG 16 -2.337 -18.245 7.012 1.00 14.41 ATOM 235 HA ARG 16 -2.879 -17.309 7.070 1.00 14.41 ATOM 236 CB ARG 16 -3.348 -19.387 6.892 1.00 64.04 ATOM 237 HB1 ARG 16 -3.919 -19.237 5.992 1.00 38.02 ATOM 238 HB2 ARG 16 -4.018 -19.350 7.742 1.00 45.41 ATOM 239 CG ARG 16 -2.706 -20.764 6.836 1.00 52.24 ATOM 240 HG1 ARG 16 -2.081 -20.898 7.697 1.00 38.02 ATOM 241 HG2 ARG 16 -2.111 -20.840 5.949 1.00 24.32 ATOM 242 CD ARG 16 -3.753 -21.867 6.834 1.00 53.42 ATOM 243 HD1 ARG 16 -4.750 -21.443 6.813 1.00 38.02 ATOM 244 HD2 ARG 16 -3.648 -22.437 7.742 1.00 70.13 ATOM 245 NE ARG 16 -3.590 -22.775 5.702 1.00 43.11 ATOM 246 HE ARG 16 -3.140 -23.632 5.873 1.00 34.03 ATOM 247 CZ ARG 16 -4.014 -22.502 4.473 1.00 13.12 ATOM 248 NH1 ARG 16 -4.624 -21.352 4.219 1.00 33.42 ATOM 249 HH11 ARG 16 -4.782 -20.678 4.926 1.00 42.12 ATOM 250 HH12 ARG 16 -4.935 -21.155 3.287 1.00 50.22 ATOM 251 NH2 ARG 16 -3.828 -23.379 3.495 1.00 34.44 ATOM 252 HH21 ARG 16 -3.367 -24.250 3.680 1.00 3.21 ATOM 253 HH22 ARG 16 -4.147 -23.175 2.567 1.00 34.23 ATOM 254 C ARG 16 -1.514 -18.412 8.286 1.00 50.31 ATOM 255 O ARG 16 -1.869 -17.885 9.341 1.00 35.43 ATOM 256 N LEU 17 -0.413 -19.148 8.180 1.00 11.50 ATOM 257 HN LEU 17 -0.183 -19.562 7.315 1.00 38.02 ATOM 258 CA LEU 17 0.461 -19.385 9.323 1.00 4.13 ATOM 259 HA LEU 17 -0.125 -19.865 10.094 1.00 2.01 ATOM 260 CB LEU 17 1.614 -20.309 8.926 1.00 50.43 ATOM 261 HB1 LEU 17 2.108 -19.876 8.068 1.00 38.02 ATOM 262 HB2 LEU 17 1.187 -21.258 8.629 1.00 12.44 ATOM 263 CG LEU 17 2.667 -20.569 10.003 1.00 64.40 ATOM 264 HG LEU 17 3.197 -19.651 10.213 1.00 42.43 ATOM 265 CD1 LEU 17 2.009 -21.036 11.292 1.00 73.43 ATOM 266 HD11 LEU 17 2.773 -21.241 12.024 1.00 63.22 ATOM 267 HD12 LEU 17 1.440 -21.937 11.108 1.00 22.22 ATOM 268 HD13 LEU 17 1.354 -20.271 11.675 1.00 24.13 ATOM 269 CD2 LEU 17 3.683 -21.594 9.519 1.00 33.40 ATOM 270 HD21 LEU 17 3.186 -22.531 9.308 1.00 74.32 ATOM 271 HD22 LEU 17 4.430 -21.747 10.284 1.00 64.14 ATOM 272 HD23 LEU 17 4.164 -21.232 8.621 1.00 4.31 ATOM 273 C LEU 17 1.012 -18.072 9.869 1.00 4.53 ATOM 274 O LEU 17 1.208 -17.923 11.076 1.00 41.33 ATOM 275 N ASP 18 1.258 -17.122 8.974 1.00 44.40 ATOM 276 HN ASP 18 1.103 -17.301 8.017 1.00 38.02 ATOM 277 CA ASP 18 1.784 -15.819 9.366 1.00 13.11 ATOM 278 HA ASP 18 2.752 -15.979 9.826 1.00 63.41 ATOM 279 CB ASP 18 1.953 -14.923 8.138 1.00 25.01 ATOM 280 HB1 ASP 18 0.983 -14.591 7.790 1.00 38.02 ATOM 281 HB2 ASP 18 2.432 -15.491 7.353 1.00 32.21 ATOM 282 CG ASP 18 2.809 -13.704 8.424 1.00 34.34 ATOM 283 OD1 ASP 18 3.870 -13.861 9.064 1.00 42.24 ATOM 284 OD2 ASP 18 2.417 -12.594 8.008 1.00 33.15 ATOM 285 C ASP 18 0.864 -15.145 10.380 1.00 41.24 ATOM 286 O ASP 18 1.325 -14.439 11.277 1.00 1.11 ATOM 287 N ILE 19 -0.437 -15.367 10.229 1.00 13.41 ATOM 288 HN ILE 19 -0.753 -15.943 9.495 1.00 38.02 ATOM 289 CA ILE 19 -1.421 -14.781 11.131 1.00 1.42 ATOM 290 HA ILE 19 -1.185 -13.733 11.254 1.00 72.20 ATOM 291 CB ILE 19 -2.846 -14.887 10.556 1.00 23.14 ATOM 292 HB ILE 19 -3.088 -15.934 10.450 1.00 53.02 ATOM 293 CG1 ILE 19 -2.916 -14.219 9.182 1.00 63.45 ATOM 294 HG11 ILE 19 -2.086 -14.542 8.570 1.00 38.02 ATOM 295 HG12 ILE 19 -2.866 -13.145 9.296 1.00 23.11 ATOM 296 CG2 ILE 19 -3.850 -14.256 11.509 1.00 22.14 ATOM 297 HG21 ILE 19 -3.869 -14.797 12.441 1.00 20.30 ATOM 298 HG22 ILE 19 -4.838 -14.286 11.074 1.00 62.33 ATOM 299 HG23 ILE 19 -3.576 -13.227 11.698 1.00 30.25 ATOM 300 CD1 ILE 19 -4.180 -14.542 8.417 1.00 72.23 ATOM 301 HD11 ILE 19 -4.138 -14.078 7.443 1.00 42.23 ATOM 302 HD12 ILE 19 -5.031 -14.163 8.956 1.00 20.43 ATOM 303 HD13 ILE 19 -4.270 -15.611 8.301 1.00 40.23 ATOM 304 C ILE 19 -1.384 -15.456 12.498 1.00 54.01 ATOM 305 O ILE 19 -1.254 -14.792 13.527 1.00 21.34 ATOM 306 N LEU 20 -1.499 -16.779 12.501 1.00 64.42 ATOM 307 HN LEU 20 -1.605 -17.255 11.642 1.00 38.02 ATOM 308 CA LEU 20 -1.477 -17.547 13.741 1.00 3.45 ATOM 309 HA LEU 20 -2.348 -17.271 14.320 1.00 52.43 ATOM 310 CB LEU 20 -1.529 -19.045 13.439 1.00 75.04 ATOM 311 HB1 LEU 20 -1.133 -19.581 14.297 1.00 38.02 ATOM 312 HB2 LEU 20 -0.859 -19.230 12.607 1.00 5.01 ATOM 313 CG LEU 20 -2.909 -19.615 13.107 1.00 13.41 ATOM 314 HG LEU 20 -3.604 -18.814 12.982 1.00 2.24 ATOM 315 CD1 LEU 20 -2.864 -20.398 11.804 1.00 14.13 ATOM 316 HD11 LEU 20 -2.531 -19.752 11.004 1.00 1.03 ATOM 317 HD12 LEU 20 -3.851 -20.770 11.571 1.00 43.41 ATOM 318 HD13 LEU 20 -2.180 -21.231 11.901 1.00 13.34 ATOM 319 CD2 LEU 20 -3.410 -20.494 14.243 1.00 33.13 ATOM 320 HD21 LEU 20 -2.734 -21.326 14.387 1.00 2.13 ATOM 321 HD22 LEU 20 -4.396 -20.869 14.004 1.00 42.03 ATOM 322 HD23 LEU 20 -3.463 -19.914 15.154 1.00 61.41 ATOM 323 C LEU 20 -0.230 -17.225 14.559 1.00 44.04 ATOM 324 O LEU 20 -0.279 -17.157 15.787 1.00 51.20 ATOM 325 N LYS 21 0.888 -17.026 13.869 1.00 44.23 ATOM 326 HN LYS 21 0.876 -17.111 12.887 1.00 38.02 ATOM 327 CA LYS 21 2.149 -16.707 14.529 1.00 71.43 ATOM 328 HA LYS 21 2.387 -17.517 15.204 1.00 2.24 ATOM 329 CB LYS 21 3.269 -16.569 13.495 1.00 52.10 ATOM 330 HB1 LYS 21 4.099 -16.028 13.938 1.00 38.02 ATOM 331 HB2 LYS 21 2.898 -16.006 12.650 1.00 51.40 ATOM 332 CG LYS 21 3.796 -17.900 12.988 1.00 43.25 ATOM 333 HG1 LYS 21 3.003 -18.422 12.483 1.00 38.02 ATOM 334 HG2 LYS 21 4.111 -18.480 13.840 1.00 11.35 ATOM 335 CD LYS 21 4.957 -17.709 12.025 1.00 33.43 ATOM 336 HD1 LYS 21 5.515 -16.819 12.292 1.00 38.02 ATOM 337 HD2 LYS 21 4.566 -17.601 11.025 1.00 64.00 ATOM 338 CE LYS 21 5.905 -18.898 12.053 1.00 31.44 ATOM 339 HE1 LYS 21 6.677 -18.741 11.314 1.00 38.02 ATOM 340 HE2 LYS 21 5.354 -19.796 11.809 1.00 14.40 ATOM 341 NZ LYS 21 6.543 -19.068 13.388 1.00 12.44 ATOM 342 HZ1 LYS 21 6.877 -18.153 13.760 1.00 21.23 ATOM 343 HZ2 LYS 21 7.360 -19.706 13.306 1.00 61.10 ATOM 344 HZ3 LYS 21 5.871 -19.483 14.062 1.00 74.23 ATOM 345 C LYS 21 2.029 -15.421 15.339 1.00 11.13 ATOM 346 O LYS 21 2.412 -15.375 16.509 1.00 74.41 ATOM 347 N ILE 22 1.495 -14.379 14.711 1.00 14.03 ATOM 348 HN ILE 22 1.189 -14.489 13.782 1.00 38.02 ATOM 349 CA ILE 22 1.322 -13.093 15.376 1.00 63.21 ATOM 350 HA ILE 22 2.305 -12.681 15.566 1.00 44.22 ATOM 351 CB ILE 22 0.541 -12.103 14.492 1.00 35.14 ATOM 352 HB ILE 22 -0.434 -12.530 14.293 1.00 64.24 ATOM 353 CG1 ILE 22 1.276 -11.875 13.170 1.00 31.22 ATOM 354 HG11 ILE 22 1.759 -12.776 12.843 1.00 38.02 ATOM 355 HG12 ILE 22 2.034 -11.115 13.303 1.00 43.22 ATOM 356 CG2 ILE 22 0.337 -10.786 15.226 1.00 40.34 ATOM 357 HG21 ILE 22 1.283 -10.427 15.609 1.00 3.52 ATOM 358 HG22 ILE 22 -0.355 -10.922 16.043 1.00 22.13 ATOM 359 HG23 ILE 22 -0.071 -10.050 14.545 1.00 61.24 ATOM 360 CD1 ILE 22 0.372 -11.416 12.048 1.00 42.25 ATOM 361 HD11 ILE 22 0.203 -10.353 12.137 1.00 20.54 ATOM 362 HD12 ILE 22 -0.575 -11.932 12.099 1.00 53.55 ATOM 363 HD13 ILE 22 0.844 -11.624 11.099 1.00 11.25 ATOM 364 C ILE 22 0.594 -13.255 16.706 1.00 72.12 ATOM 365 O ILE 22 1.021 -12.720 17.729 1.00 23.23 ATOM 366 N HIS 23 -0.508 -13.998 16.684 1.00 32.11 ATOM 367 HN HIS 23 -0.802 -14.404 15.833 1.00 38.02 ATOM 368 CA HIS 23 -1.296 -14.233 17.889 1.00 24.22 ATOM 369 HA HIS 23 -1.457 -13.282 18.383 1.00 13.44 ATOM 370 CB HIS 23 -2.654 -14.835 17.527 1.00 24.22 ATOM 371 HB1 HIS 23 -3.211 -15.035 18.434 1.00 38.02 ATOM 372 HB2 HIS 23 -2.500 -15.763 16.995 1.00 23.23 ATOM 373 CG HIS 23 -3.494 -13.943 16.666 1.00 64.34 ATOM 374 ND1 HIS 23 -4.237 -12.896 17.167 1.00 53.14 ATOM 375 HD1 HIS 23 -4.293 -12.633 18.109 1.00 53.22 ATOM 376 CD2 HIS 23 -3.704 -13.946 15.328 1.00 23.24 ATOM 377 HD2 HIS 23 -3.308 -14.654 14.621 1.00 42.50 ATOM 378 CE1 HIS 23 -4.870 -12.294 16.175 1.00 20.12 ATOM 379 HE1 HIS 23 -5.526 -11.441 16.269 1.00 52.13 ATOM 380 NE2 HIS 23 -4.563 -12.912 15.049 1.00 43.10 ATOM 381 HE2 HIS 23 -4.966 -12.727 14.175 1.00 38.02 ATOM 382 C HIS 23 -0.555 -15.159 18.850 1.00 54.11 ATOM 383 O HIS 23 -0.768 -15.111 20.061 1.00 13.03 ATOM 384 N SER 24 0.314 -16.001 18.301 1.00 61.13 ATOM 385 HN SER 24 0.427 -16.020 17.330 1.00 38.02 ATOM 386 CA SER 24 1.082 -16.941 19.108 1.00 24.14 ATOM 387 HA SER 24 0.464 -17.275 19.934 1.00 72.52 ATOM 388 CB SER 24 1.475 -18.161 18.273 1.00 23.34 ATOM 389 HB1 SER 24 0.700 -18.372 17.555 1.00 38.02 ATOM 390 HB2 SER 24 1.584 -19.012 18.913 1.00 43.02 ATOM 391 OG SER 24 2.687 -17.933 17.575 1.00 53.53 ATOM 392 HG SER 24 3.427 -18.266 18.090 1.00 31.42 ATOM 393 C SER 24 2.332 -16.275 19.675 1.00 3.15 ATOM 394 O SER 24 3.109 -16.900 20.398 1.00 34.02 ATOM 395 N ARG 25 2.520 -15.002 19.342 1.00 32.11 ATOM 396 HN ARG 25 1.901 -14.546 18.743 1.00 38.02 ATOM 397 CA ARG 25 3.675 -14.250 19.816 1.00 24.42 ATOM 398 HA ARG 25 4.437 -14.944 20.156 1.00 63.32 ATOM 399 CB ARG 25 4.258 -13.401 18.685 1.00 74.44 ATOM 400 HB1 ARG 25 4.896 -12.631 19.103 1.00 38.02 ATOM 401 HB2 ARG 25 3.445 -12.927 18.154 1.00 1.03 ATOM 402 CG ARG 25 5.088 -14.198 17.692 1.00 44.55 ATOM 403 HG1 ARG 25 4.532 -15.061 17.369 1.00 38.02 ATOM 404 HG2 ARG 25 5.994 -14.525 18.182 1.00 35.43 ATOM 405 CD ARG 25 5.455 -13.362 16.475 1.00 13.52 ATOM 406 HD1 ARG 25 4.670 -12.642 16.276 1.00 38.02 ATOM 407 HD2 ARG 25 5.550 -14.023 15.626 1.00 51.44 ATOM 408 NE ARG 25 6.720 -12.655 16.657 1.00 13.14 ATOM 409 HE ARG 25 7.229 -12.824 17.485 1.00 42.40 ATOM 410 CZ ARG 25 7.220 -11.802 15.770 1.00 33.20 ATOM 411 NH1 ARG 25 6.565 -11.551 14.645 1.00 72.32 ATOM 412 HH11 ARG 25 5.692 -11.992 14.441 1.00 61.33 ATOM 413 HH12 ARG 25 6.949 -10.905 13.982 1.00 51.12 ATOM 414 NH2 ARG 25 8.377 -11.198 16.008 1.00 70.14 ATOM 415 HH21 ARG 25 8.877 -11.383 16.857 1.00 44.42 ATOM 416 HH22 ARG 25 8.756 -10.554 15.340 1.00 4.22 ATOM 417 C ARG 25 3.297 -13.357 20.994 1.00 52.22 ATOM 418 O ARG 25 4.163 -12.860 21.714 1.00 30.33 ATOM 419 N LYS 26 1.997 -13.156 21.183 1.00 2.23 ATOM 420 HN LYS 26 1.340 -13.550 20.570 1.00 38.02 ATOM 421 CA LYS 26 1.502 -12.323 22.273 1.00 22.11 ATOM 422 HA LYS 26 2.323 -11.745 22.675 1.00 23.42 ATOM 423 CB LYS 26 0.435 -11.355 21.758 1.00 0.42 ATOM 424 HB1 LYS 26 -0.304 -11.918 21.207 1.00 38.02 ATOM 425 HB2 LYS 26 0.900 -10.643 21.090 1.00 14.31 ATOM 426 CG LYS 26 -0.278 -10.592 22.862 1.00 64.13 ATOM 427 HG1 LYS 26 -0.721 -11.278 23.563 1.00 38.02 ATOM 428 HG2 LYS 26 -1.070 -10.007 22.412 1.00 0.32 ATOM 429 CD LYS 26 0.671 -9.662 23.599 1.00 21.13 ATOM 430 HD1 LYS 26 1.632 -10.129 23.744 1.00 38.02 ATOM 431 HD2 LYS 26 0.244 -9.442 24.567 1.00 43.04 ATOM 432 CE LYS 26 0.866 -8.354 22.848 1.00 73.00 ATOM 433 HE1 LYS 26 0.840 -8.534 21.780 1.00 38.02 ATOM 434 HE2 LYS 26 1.832 -7.950 23.114 1.00 62.43 ATOM 435 NZ LYS 26 -0.180 -7.353 23.198 1.00 42.25 ATOM 436 HZ1 LYS 26 -0.151 -7.140 24.217 1.00 75.52 ATOM 437 HZ2 LYS 26 -1.125 -7.717 22.957 1.00 61.44 ATOM 438 HZ3 LYS 26 -0.019 -6.472 22.669 1.00 32.25 ATOM 439 C LYS 26 0.926 -13.181 23.395 1.00 23.11 ATOM 440 O LYS 26 0.875 -12.757 24.549 1.00 31.12 ATOM 441 N MET 27 0.496 -14.390 23.048 1.00 14.41 ATOM 442 HN MET 27 0.553 -14.689 22.115 1.00 38.02 ATOM 443 CA MET 27 -0.074 -15.308 24.028 1.00 40.24 ATOM 444 HA MET 27 -0.449 -14.739 24.871 1.00 14.13 ATOM 445 CB MET 27 -1.244 -16.080 23.414 1.00 24.14 ATOM 446 HB1 MET 27 -1.655 -16.746 24.158 1.00 38.02 ATOM 447 HB2 MET 27 -0.879 -16.666 22.582 1.00 25.02 ATOM 448 CG MET 27 -2.361 -15.186 22.904 1.00 54.44 ATOM 449 HG1 MET 27 -2.110 -14.837 21.921 1.00 38.02 ATOM 450 HG2 MET 27 -2.468 -14.336 23.566 1.00 64.42 ATOM 451 SD MET 27 -3.950 -16.035 22.826 1.00 12.34 ATOM 452 CE MET 27 -3.471 -17.580 22.058 1.00 53.13 ATOM 453 HE1 MET 27 -4.355 -18.116 21.748 1.00 61.03 ATOM 454 HE2 MET 27 -2.919 -18.179 22.767 1.00 12.34 ATOM 455 HE3 MET 27 -2.852 -17.378 21.197 1.00 21.35 ATOM 456 C MET 27 0.983 -16.283 24.538 1.00 54.44 ATOM 457 O MET 27 2.164 -16.153 24.221 1.00 62.13 ATOM 458 N ASN 28 0.549 -17.258 25.330 1.00 54.25 ATOM 459 HN ASN 28 -0.400 -17.308 25.581 1.00 38.02 ATOM 460 CA ASN 28 1.458 -18.254 25.884 1.00 0.11 ATOM 461 HA ASN 28 2.480 -17.906 25.761 1.00 65.40 ATOM 462 CB ASN 28 1.190 -18.443 27.379 1.00 65.24 ATOM 463 HB1 ASN 28 1.706 -19.324 27.723 1.00 38.02 ATOM 464 HB2 ASN 28 0.132 -18.561 27.532 1.00 12.21 ATOM 465 CG ASN 28 1.672 -17.267 28.206 1.00 43.03 ATOM 466 OD1 ASN 28 2.183 -16.284 27.669 1.00 54.24 ATOM 467 ND2 ASN 28 1.512 -17.363 29.520 1.00 21.34 ATOM 468 HD21 ASN 28 1.093 -18.162 29.879 1.00 31.44 ATOM 469 HD22 ASN 28 1.824 -16.620 30.077 1.00 41.10 ATOM 470 C ASN 28 1.313 -19.587 25.157 1.00 30.42 ATOM 471 O ASN 28 0.201 -20.029 24.864 1.00 63.43 ATOM 472 N LEU 29 2.443 -20.224 24.870 1.00 31.20 ATOM 473 HN LEU 29 3.308 -19.826 25.122 1.00 38.02 ATOM 474 CA LEU 29 2.443 -21.508 24.178 1.00 73.41 ATOM 475 HA LEU 29 1.427 -21.845 24.060 1.00 75.43 ATOM 476 CB LEU 29 3.065 -21.361 22.788 1.00 23.34 ATOM 477 HB1 LEU 29 2.838 -22.260 22.244 1.00 38.02 ATOM 478 HB2 LEU 29 4.142 -21.288 22.897 1.00 0.22 ATOM 479 CG LEU 29 2.594 -20.162 21.965 1.00 2.34 ATOM 480 HG LEU 29 2.895 -19.252 22.464 1.00 10.42 ATOM 481 CD1 LEU 29 3.236 -20.175 20.587 1.00 60.02 ATOM 482 HD11 LEU 29 4.280 -20.452 20.667 1.00 41.52 ATOM 483 HD12 LEU 29 3.175 -19.197 20.160 1.00 71.53 ATOM 484 HD13 LEU 29 2.729 -20.881 19.943 1.00 35.22 ATOM 485 CD2 LEU 29 1.077 -20.157 21.849 1.00 31.44 ATOM 486 HD21 LEU 29 0.677 -19.402 22.507 1.00 22.15 ATOM 487 HD22 LEU 29 0.675 -21.116 22.132 1.00 44.34 ATOM 488 HD23 LEU 29 0.771 -19.932 20.834 1.00 1.00 ATOM 489 C LEU 29 3.204 -22.559 24.980 1.00 74.42 ATOM 490 O LEU 29 3.828 -22.250 25.995 1.00 20.03 ATOM 491 N THR 30 3.149 -23.804 24.516 1.00 23.22 ATOM 492 HN THR 30 2.637 -23.983 23.694 1.00 38.02 ATOM 493 CA THR 30 3.834 -24.901 25.189 1.00 13.10 ATOM 494 HA THR 30 3.748 -24.759 26.261 1.00 61.15 ATOM 495 CB THR 30 3.196 -26.259 24.841 1.00 61.14 ATOM 496 HB THR 30 2.155 -26.233 25.126 1.00 52.21 ATOM 497 OG1 THR 30 3.852 -27.308 25.562 1.00 12.34 ATOM 498 HG1 THR 30 3.511 -27.345 26.459 1.00 0.54 ATOM 499 CG2 THR 30 3.286 -26.532 23.347 1.00 50.23 ATOM 500 HG21 THR 30 2.545 -25.942 22.835 1.00 20.30 ATOM 501 HG22 THR 30 3.082 -27.578 23.171 1.00 42.55 ATOM 502 HG23 THR 30 4.266 -26.300 22.961 1.00 72.54 ATOM 503 C THR 30 5.312 -24.936 24.818 1.00 30.44 ATOM 504 O THR 30 5.740 -24.278 23.871 1.00 51.45 ATOM 505 N ARG 31 6.088 -25.710 25.571 1.00 14.21 ATOM 506 HN ARG 31 5.677 -26.213 26.312 1.00 38.02 ATOM 507 CA ARG 31 7.519 -25.830 25.321 1.00 32.43 ATOM 508 HA ARG 31 7.915 -24.844 25.107 1.00 25.42 ATOM 509 CB ARG 31 8.229 -26.382 26.559 1.00 45.23 ATOM 510 HB1 ARG 31 8.169 -25.642 27.344 1.00 38.02 ATOM 511 HB2 ARG 31 9.274 -26.546 26.319 1.00 70.24 ATOM 512 CG ARG 31 7.623 -27.673 27.084 1.00 5.24 ATOM 513 HG1 ARG 31 7.202 -28.253 26.277 1.00 38.02 ATOM 514 HG2 ARG 31 6.839 -27.423 27.783 1.00 55.33 ATOM 515 CD ARG 31 8.660 -28.522 27.804 1.00 73.25 ATOM 516 HD1 ARG 31 9.581 -28.531 27.234 1.00 38.02 ATOM 517 HD2 ARG 31 8.280 -29.531 27.877 1.00 74.01 ATOM 518 NE ARG 31 8.934 -28.027 29.150 1.00 62.31 ATOM 519 HE ARG 31 8.460 -27.216 29.450 1.00 41.33 ATOM 520 CZ ARG 31 9.785 -28.609 29.988 1.00 61.54 ATOM 521 NH1 ARG 31 10.441 -29.701 29.619 1.00 22.10 ATOM 522 HH11 ARG 31 10.311 -30.104 28.714 1.00 30.12 ATOM 523 HH12 ARG 31 11.081 -30.134 30.257 1.00 2.23 ATOM 524 NH2 ARG 31 9.981 -28.099 31.197 1.00 64.34 ATOM 525 HH21 ARG 31 9.488 -27.274 31.482 1.00 72.41 ATOM 526 HH22 ARG 31 10.622 -28.537 31.831 1.00 33.13 ATOM 527 C ARG 31 7.787 -26.735 24.122 1.00 21.11 ATOM 528 O ARG 31 8.310 -27.839 24.269 1.00 40.10 ATOM 529 N GLY 32 7.424 -26.259 22.935 1.00 43.22 ATOM 530 HN GLY 32 7.060 -25.353 22.866 1.00 38.02 ATOM 531 CA GLY 32 7.633 -27.037 21.728 1.00 60.30 ATOM 532 HA1 GLY 32 7.937 -28.048 21.971 1.00 38.02 ATOM 533 HA2 GLY 32 8.421 -26.573 21.154 1.00 24.05 ATOM 534 C GLY 32 6.391 -27.110 20.863 1.00 55.12 ATOM 535 O GLY 32 6.096 -28.151 20.274 1.00 43.51 ATOM 536 N ILE 33 5.659 -26.003 20.787 1.00 60.24 ATOM 537 HN ILE 33 5.953 -25.190 21.251 1.00 38.02 ATOM 538 CA ILE 33 4.441 -25.947 19.988 1.00 43.54 ATOM 539 HA ILE 33 3.878 -26.859 20.171 1.00 45.31 ATOM 540 CB ILE 33 3.560 -24.749 20.389 1.00 34.33 ATOM 541 HB ILE 33 3.462 -24.735 21.453 1.00 74.15 ATOM 542 CG1 ILE 33 2.173 -24.873 19.753 1.00 5.24 ATOM 543 HG11 ILE 33 1.718 -25.793 20.075 1.00 38.02 ATOM 544 HG12 ILE 33 2.257 -24.872 18.679 1.00 73.43 ATOM 545 CG2 ILE 33 4.222 -23.443 19.979 1.00 0.41 ATOM 546 HG21 ILE 33 3.811 -22.653 20.547 1.00 13.53 ATOM 547 HG22 ILE 33 4.055 -23.248 18.928 1.00 52.23 ATOM 548 HG23 ILE 33 5.287 -23.488 20.164 1.00 55.03 ATOM 549 CD1 ILE 33 1.235 -23.747 20.127 1.00 50.34 ATOM 550 HD11 ILE 33 0.515 -24.113 20.844 1.00 51.30 ATOM 551 HD12 ILE 33 0.717 -23.418 19.241 1.00 30.51 ATOM 552 HD13 ILE 33 1.759 -22.910 20.551 1.00 63.10 ATOM 553 C ILE 33 4.764 -25.850 18.500 1.00 13.23 ATOM 554 O ILE 33 5.777 -25.271 18.111 1.00 22.30 ATOM 555 N ASN 34 3.893 -26.419 17.673 1.00 33.14 ATOM 556 HN ASN 34 3.099 -26.875 18.037 1.00 38.02 ATOM 557 CA ASN 34 4.084 -26.396 16.228 1.00 71.03 ATOM 558 HA ASN 34 4.933 -25.758 16.000 1.00 62.11 ATOM 559 CB ASN 34 4.371 -27.806 15.708 1.00 72.13 ATOM 560 HB1 ASN 34 3.482 -28.239 15.285 1.00 38.02 ATOM 561 HB2 ASN 34 4.703 -28.429 16.527 1.00 24.44 ATOM 562 CG ASN 34 5.458 -27.822 14.651 1.00 70.34 ATOM 563 OD1 ASN 34 6.609 -27.481 14.923 1.00 61.32 ATOM 564 ND2 ASN 34 5.096 -28.220 13.436 1.00 2.22 ATOM 565 HD21 ASN 34 4.162 -28.482 13.272 1.00 4.31 ATOM 566 HD22 ASN 34 5.785 -28.237 12.740 1.00 43.51 ATOM 567 C ASN 34 2.856 -25.823 15.526 1.00 45.02 ATOM 568 O ASN 34 1.848 -26.509 15.357 1.00 75.14 ATOM 569 N LEU 35 2.950 -24.562 15.119 1.00 54.13 ATOM 570 HN LEU 35 3.789 -24.064 15.274 1.00 38.02 ATOM 571 CA LEU 35 1.847 -23.896 14.434 1.00 42.41 ATOM 572 HA LEU 35 0.932 -24.131 14.952 1.00 33.43 ATOM 573 CB LEU 35 2.042 -22.379 14.469 1.00 53.34 ATOM 574 HB1 LEU 35 1.181 -21.909 14.008 1.00 38.02 ATOM 575 HB2 LEU 35 2.912 -22.158 13.862 1.00 30.50 ATOM 576 CG LEU 35 2.264 -21.762 15.850 1.00 13.10 ATOM 577 HG LEU 35 2.831 -22.443 16.469 1.00 25.31 ATOM 578 CD1 LEU 35 3.067 -20.475 15.737 1.00 31.44 ATOM 579 HD11 LEU 35 3.286 -20.104 16.726 1.00 72.22 ATOM 580 HD12 LEU 35 2.500 -19.735 15.190 1.00 60.43 ATOM 581 HD13 LEU 35 3.996 -20.670 15.218 1.00 22.14 ATOM 582 CD2 LEU 35 0.932 -21.503 16.539 1.00 53.43 ATOM 583 HD21 LEU 35 0.348 -20.805 15.955 1.00 34.11 ATOM 584 HD22 LEU 35 1.107 -21.089 17.523 1.00 73.03 ATOM 585 HD23 LEU 35 0.388 -22.432 16.636 1.00 33.42 ATOM 586 C LEU 35 1.736 -24.373 12.989 1.00 13.54 ATOM 587 O LEU 35 0.642 -24.431 12.427 1.00 0.32 ATOM 588 N ARG 36 2.874 -24.715 12.395 1.00 1.31 ATOM 589 HN ARG 36 3.724 -24.628 12.885 1.00 38.02 ATOM 590 CA ARG 36 2.904 -25.188 11.016 1.00 1.24 ATOM 591 HA ARG 36 2.599 -24.365 10.384 1.00 41.41 ATOM 592 CB ARG 36 4.319 -25.630 10.637 1.00 13.21 ATOM 593 HB1 ARG 36 4.446 -26.684 10.855 1.00 38.02 ATOM 594 HB2 ARG 36 5.026 -25.071 11.239 1.00 74.12 ATOM 595 CG ARG 36 4.655 -25.405 9.172 1.00 75.42 ATOM 596 HG1 ARG 36 4.098 -24.557 8.793 1.00 38.02 ATOM 597 HG2 ARG 36 4.385 -26.289 8.614 1.00 34.32 ATOM 598 CD ARG 36 6.139 -25.139 8.975 1.00 73.32 ATOM 599 HD1 ARG 36 6.360 -25.294 7.928 1.00 38.02 ATOM 600 HD2 ARG 36 6.716 -25.837 9.569 1.00 1.10 ATOM 601 NE ARG 36 6.504 -23.775 9.347 1.00 63.14 ATOM 602 HE ARG 36 5.883 -23.273 9.921 1.00 41.34 ATOM 603 CZ ARG 36 7.630 -23.185 8.961 1.00 42.00 ATOM 604 NH1 ARG 36 8.495 -23.836 8.196 1.00 65.10 ATOM 605 HH11 ARG 36 8.329 -24.772 7.897 1.00 62.32 ATOM 606 HH12 ARG 36 9.340 -23.379 7.908 1.00 50.00 ATOM 607 NH2 ARG 36 7.892 -21.941 9.340 1.00 1.33 ATOM 608 HH21 ARG 36 7.242 -21.443 9.918 1.00 40.42 ATOM 609 HH22 ARG 36 8.741 -21.494 9.050 1.00 55.42 ATOM 610 C ARG 36 1.928 -26.343 10.817 1.00 71.42 ATOM 611 O ARG 36 1.322 -26.482 9.754 1.00 32.32 ATOM 612 N LYS 37 1.781 -27.171 11.846 1.00 71.33 ATOM 613 HN LYS 37 2.304 -27.028 12.669 1.00 38.02 ATOM 614 CA LYS 37 0.878 -28.315 11.785 1.00 5.13 ATOM 615 HA LYS 37 0.989 -28.790 10.818 1.00 22.12 ATOM 616 CB LYS 37 1.238 -29.332 12.871 1.00 71.23 ATOM 617 HB1 LYS 37 1.234 -28.835 13.832 1.00 38.02 ATOM 618 HB2 LYS 37 2.237 -29.698 12.675 1.00 41.25 ATOM 619 CG LYS 37 0.302 -30.527 12.918 1.00 71.51 ATOM 620 HG1 LYS 37 0.879 -31.406 13.172 1.00 38.02 ATOM 621 HG2 LYS 37 -0.148 -30.673 11.943 1.00 2.31 ATOM 622 CD LYS 37 -0.806 -30.328 13.938 1.00 31.14 ATOM 623 HD1 LYS 37 -1.713 -30.726 13.530 1.00 38.02 ATOM 624 HD2 LYS 37 -0.942 -29.278 14.156 1.00 53.24 ATOM 625 CE LYS 37 -0.501 -31.052 15.241 1.00 74.33 ATOM 626 HE1 LYS 37 -0.927 -30.488 16.050 1.00 38.02 ATOM 627 HE2 LYS 37 0.568 -31.124 15.379 1.00 43.22 ATOM 628 NZ LYS 37 -1.070 -32.429 15.256 1.00 4.31 ATOM 629 HZ1 LYS 37 -0.670 -32.995 14.478 1.00 74.31 ATOM 630 HZ2 LYS 37 -2.105 -32.395 15.149 1.00 52.35 ATOM 631 HZ3 LYS 37 -0.845 -32.896 16.158 1.00 73.10 ATOM 632 C LYS 37 -0.572 -27.873 11.949 1.00 51.53 ATOM 633 O LYS 37 -1.488 -28.512 11.430 1.00 22.12 ATOM 634 N ILE 38 -0.774 -26.775 12.671 1.00 64.45 ATOM 635 HN ILE 38 -0.010 -26.304 13.044 1.00 38.02 ATOM 636 CA ILE 38 -2.113 -26.247 12.899 1.00 23.11 ATOM 637 HA ILE 38 -2.739 -27.057 13.251 1.00 42.42 ATOM 638 CB ILE 38 -2.105 -25.137 13.966 1.00 13.33 ATOM 639 HB ILE 38 -1.611 -24.265 13.559 1.00 12.24 ATOM 640 CG1 ILE 38 -1.339 -25.598 15.208 1.00 41.52 ATOM 641 HG11 ILE 38 -1.349 -24.806 15.945 1.00 38.02 ATOM 642 HG12 ILE 38 -0.325 -25.812 14.949 1.00 44.32 ATOM 643 CG2 ILE 38 -3.529 -24.744 14.332 1.00 40.45 ATOM 644 HG21 ILE 38 -4.028 -24.334 13.467 1.00 11.00 ATOM 645 HG22 ILE 38 -3.509 -23.992 15.105 1.00 62.01 ATOM 646 HG23 ILE 38 -4.077 -25.603 14.682 1.00 62.10 ATOM 647 CD1 ILE 38 -1.923 -26.834 15.854 1.00 30.20 ATOM 648 HD11 ILE 38 -2.871 -27.091 15.418 1.00 34.11 ATOM 649 HD12 ILE 38 -2.059 -26.653 16.910 1.00 21.42 ATOM 650 HD13 ILE 38 -1.237 -27.659 15.724 1.00 41.01 ATOM 651 C ILE 38 -2.713 -25.694 11.611 1.00 61.52 ATOM 652 O ILE 38 -3.767 -26.144 11.162 1.00 20.23 ATOM 653 N ALA 39 -2.033 -24.718 11.019 1.00 12.42 ATOM 654 HN ALA 39 -1.190 -24.403 11.424 1.00 38.02 ATOM 655 CA ALA 39 -2.497 -24.106 9.780 1.00 70.10 ATOM 656 HA ALA 39 -3.444 -23.640 9.973 1.00 61.53 ATOM 657 CB ALA 39 -1.524 -23.027 9.328 1.00 54.03 ATOM 658 HB1 ALA 39 -1.606 -22.867 8.264 1.00 25.54 ATOM 659 HB2 ALA 39 -0.512 -23.328 9.562 1.00 41.34 ATOM 660 HB3 ALA 39 -1.749 -22.106 9.845 1.00 13.43 ATOM 661 C ALA 39 -2.676 -25.152 8.685 1.00 31.20 ATOM 662 O ALA 39 -3.545 -25.020 7.824 1.00 13.43 ATOM 663 N GLU 40 -1.847 -26.191 8.724 1.00 14.01 ATOM 664 HN GLU 40 -1.150 -26.234 9.418 1.00 38.02 ATOM 665 CA GLU 40 -1.915 -27.259 7.733 1.00 4.41 ATOM 666 HA GLU 40 -1.779 -26.816 6.753 1.00 12.41 ATOM 667 CB GLU 40 -0.810 -28.287 7.983 1.00 22.12 ATOM 668 HB1 GLU 40 -1.159 -29.272 7.689 1.00 38.02 ATOM 669 HB2 GLU 40 -0.573 -28.308 9.038 1.00 53.21 ATOM 670 CG GLU 40 0.470 -28.005 7.215 1.00 41.35 ATOM 671 HG1 GLU 40 0.869 -27.056 7.529 1.00 38.02 ATOM 672 HG2 GLU 40 0.236 -27.960 6.161 1.00 52.34 ATOM 673 CD GLU 40 1.523 -29.076 7.421 1.00 2.02 ATOM 674 OE1 GLU 40 2.719 -28.724 7.502 1.00 12.13 ATOM 675 OE2 GLU 40 1.152 -30.266 7.501 1.00 5.44 ATOM 676 C GLU 40 -3.278 -27.943 7.762 1.00 31.25 ATOM 677 O GLU 40 -3.702 -28.550 6.778 1.00 53.10 ATOM 678 N LEU 41 -3.960 -27.842 8.898 1.00 23.02 ATOM 679 HN LEU 41 -3.569 -27.389 9.672 1.00 38.02 ATOM 680 CA LEU 41 -5.276 -28.451 9.058 1.00 65.43 ATOM 681 HA LEU 41 -5.375 -29.270 8.355 1.00 72.52 ATOM 682 CB LEU 41 -5.431 -29.013 10.472 1.00 70.42 ATOM 683 HB1 LEU 41 -6.365 -29.561 10.518 1.00 38.02 ATOM 684 HB2 LEU 41 -5.507 -28.168 11.151 1.00 64.53 ATOM 685 CG LEU 41 -4.301 -29.920 10.962 1.00 51.31 ATOM 686 HG LEU 41 -3.365 -29.600 10.538 1.00 64.44 ATOM 687 CD1 LEU 41 -4.171 -29.840 12.475 1.00 35.31 ATOM 688 HD11 LEU 41 -3.856 -28.849 12.756 1.00 50.24 ATOM 689 HD12 LEU 41 -3.447 -30.557 12.815 1.00 14.52 ATOM 690 HD13 LEU 41 -5.125 -30.056 12.936 1.00 43.32 ATOM 691 CD2 LEU 41 -4.540 -31.356 10.520 1.00 63.11 ATOM 692 HD21 LEU 41 -3.722 -31.979 10.854 1.00 63.01 ATOM 693 HD22 LEU 41 -4.601 -31.398 9.441 1.00 70.31 ATOM 694 HD23 LEU 41 -5.465 -31.720 10.946 1.00 23.50 ATOM 695 C LEU 41 -6.382 -27.440 8.776 1.00 41.04 ATOM 696 O LEU 41 -7.496 -27.567 9.282 1.00 12.03 ATOM 697 N MET 42 -6.067 -26.437 7.962 1.00 24.34 ATOM 698 HN MET 42 -5.178 -26.367 7.572 1.00 38.02 ATOM 699 CA MET 42 -7.036 -25.406 7.610 1.00 4.12 ATOM 700 HA MET 42 -7.994 -25.638 8.059 1.00 3.41 ATOM 701 CB MET 42 -6.585 -24.047 8.149 1.00 2.04 ATOM 702 HB1 MET 42 -7.249 -23.279 7.769 1.00 38.02 ATOM 703 HB2 MET 42 -5.588 -23.846 7.797 1.00 13.31 ATOM 704 CG MET 42 -6.597 -23.961 9.667 1.00 65.10 ATOM 705 HG1 MET 42 -5.988 -24.756 10.071 1.00 38.02 ATOM 706 HG2 MET 42 -7.610 -24.078 9.989 1.00 4.22 ATOM 707 SD MET 42 -5.977 -22.382 10.278 1.00 11.21 ATOM 708 CE MET 42 -7.510 -21.489 10.523 1.00 12.30 ATOM 709 HE1 MET 42 -7.346 -20.678 11.216 1.00 71.53 ATOM 710 HE2 MET 42 -8.261 -22.157 10.915 1.00 65.50 ATOM 711 HE3 MET 42 -7.846 -21.089 9.577 1.00 44.54 ATOM 712 C MET 42 -7.223 -25.329 6.098 1.00 22.43 ATOM 713 O MET 42 -6.788 -24.383 5.442 1.00 41.20 ATOM 714 N PRO 43 -7.885 -26.349 5.531 1.00 42.54 ATOM 715 CA PRO 43 -8.144 -26.419 4.090 1.00 75.13 ATOM 716 HA PRO 43 -7.233 -26.312 3.517 1.00 51.31 ATOM 717 CB PRO 43 -8.705 -27.831 3.899 1.00 51.40 ATOM 718 HB1 PRO 43 -7.897 -28.501 3.645 1.00 38.02 ATOM 719 HB2 PRO 43 -9.449 -27.854 3.112 1.00 22.22 ATOM 720 CG PRO 43 -9.292 -28.187 5.221 1.00 22.02 ATOM 721 HG1 PRO 43 -9.268 -29.258 5.357 1.00 38.02 ATOM 722 HG2 PRO 43 -10.307 -27.823 5.282 1.00 53.03 ATOM 723 CD PRO 43 -8.431 -27.510 6.252 1.00 73.20 ATOM 724 HD1 PRO 43 -7.643 -28.176 6.562 1.00 38.02 ATOM 725 HD2 PRO 43 -9.029 -27.208 7.096 1.00 1.23 ATOM 726 C PRO 43 -9.159 -25.377 3.632 1.00 42.33 ATOM 727 O PRO 43 -10.355 -25.654 3.550 1.00 64.02 ATOM 728 N GLY 44 -8.673 -24.175 3.334 1.00 62.44 ATOM 729 HN GLY 44 -7.708 -23.999 3.415 1.00 38.02 ATOM 730 CA GLY 44 -9.551 -23.110 2.887 1.00 0.21 ATOM 731 HA1 GLY 44 -10.417 -23.524 2.384 1.00 38.02 ATOM 732 HA2 GLY 44 -9.009 -22.497 2.181 1.00 24.23 ATOM 733 C GLY 44 -10.022 -22.231 4.028 1.00 14.53 ATOM 734 O GLY 44 -11.140 -22.386 4.519 1.00 1.25 ATOM 735 N ALA 45 -9.168 -21.305 4.452 1.00 23.43 ATOM 736 HN ALA 45 -8.279 -21.234 4.030 1.00 38.02 ATOM 737 CA ALA 45 -9.503 -20.398 5.543 1.00 50.04 ATOM 738 HA ALA 45 -10.583 -20.338 5.634 1.00 1.20 ATOM 739 CB ALA 45 -8.957 -20.930 6.859 1.00 23.22 ATOM 740 HB1 ALA 45 -7.878 -20.972 6.815 1.00 70.11 ATOM 741 HB2 ALA 45 -9.346 -21.923 7.032 1.00 11.02 ATOM 742 HB3 ALA 45 -9.261 -20.281 7.668 1.00 32.10 ATOM 743 C ALA 45 -8.968 -18.996 5.274 1.00 41.50 ATOM 744 O ALA 45 -7.928 -18.829 4.637 1.00 24.24 ATOM 745 N SER 46 -9.686 -17.989 5.763 1.00 72.45 ATOM 746 HN SER 46 -10.520 -18.178 6.244 1.00 38.02 ATOM 747 CA SER 46 -9.285 -16.601 5.571 1.00 55.50 ATOM 748 HA SER 46 -8.465 -16.557 4.864 1.00 42.54 ATOM 749 CB SER 46 -10.449 -15.785 5.004 1.00 74.41 ATOM 750 HB1 SER 46 -10.079 -14.837 4.642 1.00 38.02 ATOM 751 HB2 SER 46 -11.188 -15.613 5.776 1.00 40.15 ATOM 752 OG SER 46 -11.077 -16.469 3.933 1.00 62.20 ATOM 753 HG SER 46 -10.566 -16.348 3.128 1.00 35.11 ATOM 754 C SER 46 -8.812 -15.986 6.884 1.00 5.34 ATOM 755 O SER 46 -8.826 -16.636 7.928 1.00 21.53 ATOM 756 N GLY 47 -8.391 -14.726 6.823 1.00 12.32 ATOM 757 HN GLY 47 -8.391 -14.246 5.964 1.00 38.02 ATOM 758 CA GLY 47 -7.918 -14.043 8.013 1.00 13.13 ATOM 759 HA1 GLY 47 -7.679 -13.021 7.758 1.00 38.02 ATOM 760 HA2 GLY 47 -7.025 -14.534 8.365 1.00 51.41 ATOM 761 C GLY 47 -8.946 -14.042 9.128 1.00 65.10 ATOM 762 O GLY 47 -8.619 -14.316 10.282 1.00 3.44 ATOM 763 N ALA 48 -10.191 -13.732 8.783 1.00 61.03 ATOM 764 HN ALA 48 -10.393 -13.516 7.841 1.00 38.02 ATOM 765 CA ALA 48 -11.269 -13.697 9.763 1.00 51.11 ATOM 766 HA ALA 48 -11.001 -12.988 10.534 1.00 73.11 ATOM 767 CB ALA 48 -12.558 -13.216 9.113 1.00 61.03 ATOM 768 HB1 ALA 48 -12.393 -12.246 8.667 1.00 51.35 ATOM 769 HB2 ALA 48 -13.336 -13.138 9.860 1.00 75.21 ATOM 770 HB3 ALA 48 -12.862 -13.915 8.346 1.00 12.43 ATOM 771 C ALA 48 -11.475 -15.066 10.401 1.00 34.24 ATOM 772 O ALA 48 -11.917 -15.167 11.545 1.00 1.15 ATOM 773 N GLU 49 -11.154 -16.117 9.654 1.00 65.32 ATOM 774 HN GLU 49 -10.829 -15.984 8.737 1.00 38.02 ATOM 775 CA GLU 49 -11.306 -17.481 10.148 1.00 3.30 ATOM 776 HA GLU 49 -12.249 -17.549 10.681 1.00 24.43 ATOM 777 CB GLU 49 -11.316 -18.471 8.982 1.00 75.41 ATOM 778 HB1 GLU 49 -10.941 -19.434 9.315 1.00 38.02 ATOM 779 HB2 GLU 49 -10.668 -18.106 8.211 1.00 33.43 ATOM 780 CG GLU 49 -12.694 -18.686 8.378 1.00 12.21 ATOM 781 HG1 GLU 49 -12.574 -19.135 7.403 1.00 38.02 ATOM 782 HG2 GLU 49 -13.192 -17.732 8.271 1.00 53.23 ATOM 783 CD GLU 49 -13.566 -19.596 9.221 1.00 25.34 ATOM 784 OE1 GLU 49 -13.528 -20.825 9.002 1.00 50.23 ATOM 785 OE2 GLU 49 -14.285 -19.079 10.102 1.00 61.32 ATOM 786 C GLU 49 -10.184 -17.835 11.121 1.00 75.35 ATOM 787 O GLU 49 -10.365 -18.654 12.022 1.00 60.32 ATOM 788 N VAL 50 -9.025 -17.213 10.931 1.00 54.24 ATOM 789 HN VAL 50 -8.928 -16.575 10.190 1.00 38.02 ATOM 790 CA VAL 50 -7.874 -17.461 11.790 1.00 33.22 ATOM 791 HA VAL 50 -7.752 -18.534 11.898 1.00 60.52 ATOM 792 CB VAL 50 -6.582 -16.890 11.177 1.00 70.43 ATOM 793 HB VAL 50 -6.702 -15.822 11.054 1.00 62.01 ATOM 794 CG1 VAL 50 -5.399 -17.132 12.102 1.00 33.01 ATOM 795 HG11 VAL 50 -5.450 -18.136 12.499 1.00 52.42 ATOM 796 HG12 VAL 50 -5.425 -16.423 12.916 1.00 13.31 ATOM 797 HG13 VAL 50 -4.473 -17.011 11.563 1.00 0.15 ATOM 798 CG2 VAL 50 -6.330 -17.499 9.806 1.00 63.15 ATOM 799 HG21 VAL 50 -7.143 -17.272 9.153 1.00 62.04 ATOM 800 HG22 VAL 50 -6.233 -18.572 9.896 1.00 23.03 ATOM 801 HG23 VAL 50 -5.418 -17.094 9.392 1.00 73.40 ATOM 802 C VAL 50 -8.079 -16.853 13.173 1.00 54.51 ATOM 803 O VAL 50 -7.734 -17.458 14.188 1.00 73.12 ATOM 804 N LYS 51 -8.644 -15.650 13.206 1.00 33.31 ATOM 805 HN LYS 51 -8.882 -15.202 12.360 1.00 38.02 ATOM 806 CA LYS 51 -8.898 -14.958 14.464 1.00 32.20 ATOM 807 HA LYS 51 -7.949 -14.705 14.891 1.00 75.05 ATOM 808 CB LYS 51 -9.681 -13.668 14.211 1.00 51.10 ATOM 809 HB1 LYS 51 -10.687 -13.932 13.912 1.00 38.02 ATOM 810 HB2 LYS 51 -9.207 -13.131 13.400 1.00 20.42 ATOM 811 CG LYS 51 -9.738 -12.744 15.416 1.00 64.54 ATOM 812 HG1 LYS 51 -8.971 -11.989 15.311 1.00 38.02 ATOM 813 HG2 LYS 51 -9.563 -13.305 16.325 1.00 32.32 ATOM 814 CD LYS 51 -11.089 -12.060 15.531 1.00 53.14 ATOM 815 HD1 LYS 51 -11.094 -11.457 16.428 1.00 38.02 ATOM 816 HD2 LYS 51 -11.864 -12.810 15.602 1.00 5.13 ATOM 817 CE LYS 51 -11.361 -11.159 14.336 1.00 73.25 ATOM 818 HE1 LYS 51 -10.432 -10.735 13.974 1.00 38.02 ATOM 819 HE2 LYS 51 -12.013 -10.359 14.655 1.00 14.43 ATOM 820 NZ LYS 51 -12.025 -11.897 13.225 1.00 42.42 ATOM 821 HZ1 LYS 51 -12.638 -12.661 13.586 1.00 15.31 ATOM 822 HZ2 LYS 51 -11.316 -12.306 12.589 1.00 44.22 ATOM 823 HZ3 LYS 51 -12.613 -11.239 12.674 1.00 70.44 ATOM 824 C LYS 51 -9.669 -15.852 15.431 1.00 41.33 ATOM 825 O LYS 51 -9.460 -15.798 16.642 1.00 51.41 ATOM 826 N GLY 52 -10.560 -16.675 14.886 1.00 11.24 ATOM 827 HN GLY 52 -10.718 -16.671 13.917 1.00 38.02 ATOM 828 CA GLY 52 -11.347 -17.569 15.715 1.00 31.12 ATOM 829 HA1 GLY 52 -12.158 -17.964 15.121 1.00 38.02 ATOM 830 HA2 GLY 52 -11.766 -17.018 16.548 1.00 34.35 ATOM 831 C GLY 52 -10.532 -18.729 16.253 1.00 53.15 ATOM 832 O GLY 52 -10.783 -19.215 17.356 1.00 42.24 ATOM 833 N VAL 53 -9.555 -19.176 15.471 1.00 44.34 ATOM 834 HN VAL 53 -9.408 -18.764 14.591 1.00 38.02 ATOM 835 CA VAL 53 -8.700 -20.286 15.874 1.00 75.52 ATOM 836 HA VAL 53 -9.334 -21.100 16.198 1.00 33.44 ATOM 837 CB VAL 53 -7.838 -20.787 14.699 1.00 15.44 ATOM 838 HB VAL 53 -7.211 -19.973 14.361 1.00 41.32 ATOM 839 CG1 VAL 53 -6.936 -21.927 15.146 1.00 14.25 ATOM 840 HG11 VAL 53 -6.231 -21.578 15.884 1.00 52.50 ATOM 841 HG12 VAL 53 -6.386 -22.305 14.296 1.00 55.21 ATOM 842 HG13 VAL 53 -7.534 -22.723 15.566 1.00 53.52 ATOM 843 CG2 VAL 53 -8.721 -21.218 13.537 1.00 5.14 ATOM 844 HG21 VAL 53 -9.702 -21.508 13.893 1.00 52.32 ATOM 845 HG22 VAL 53 -8.276 -22.059 13.028 1.00 23.22 ATOM 846 HG23 VAL 53 -8.823 -20.397 12.845 1.00 4.22 ATOM 847 C VAL 53 -7.787 -19.887 17.027 1.00 45.34 ATOM 848 O VAL 53 -7.761 -20.543 18.068 1.00 31.14 ATOM 849 N CYS 54 -7.038 -18.807 16.833 1.00 0.54 ATOM 850 HN CYS 54 -7.101 -18.327 15.972 1.00 38.02 ATOM 851 CA CYS 54 -6.121 -18.318 17.857 1.00 32.45 ATOM 852 HA CYS 54 -5.410 -19.104 18.075 1.00 23.54 ATOM 853 CB CYS 54 -5.360 -17.094 17.348 1.00 1.41 ATOM 854 HB1 CYS 54 -4.859 -17.351 16.426 1.00 38.02 ATOM 855 HB2 CYS 54 -4.622 -16.802 18.082 1.00 21.13 ATOM 856 SG CYS 54 -6.408 -15.657 17.021 1.00 5.32 ATOM 857 HG CYS 54 -6.090 -15.190 15.825 1.00 42.52 ATOM 858 C CYS 54 -6.873 -17.969 19.138 1.00 44.00 ATOM 859 O CYS 54 -6.350 -18.130 20.242 1.00 51.35 ATOM 860 N THR 55 -8.102 -17.488 18.984 1.00 74.11 ATOM 861 HN THR 55 -8.484 -17.392 18.082 1.00 38.02 ATOM 862 CA THR 55 -8.925 -17.113 20.127 1.00 51.21 ATOM 863 HA THR 55 -8.312 -16.551 20.822 1.00 60.42 ATOM 864 CB THR 55 -10.103 -16.216 19.701 1.00 31.31 ATOM 865 HB THR 55 -10.697 -16.748 18.970 1.00 75.11 ATOM 866 OG1 THR 55 -9.611 -15.008 19.111 1.00 2.13 ATOM 867 HG1 THR 55 -10.274 -14.644 18.519 1.00 3.12 ATOM 868 CG2 THR 55 -10.987 -15.881 20.893 1.00 22.52 ATOM 869 HG21 THR 55 -11.593 -16.737 21.152 1.00 12.04 ATOM 870 HG22 THR 55 -11.634 -15.056 20.633 1.00 42.10 ATOM 871 HG23 THR 55 -10.377 -15.599 21.742 1.00 32.42 ATOM 872 C THR 55 -9.471 -18.345 20.840 1.00 42.13 ATOM 873 O THR 55 -9.381 -18.456 22.062 1.00 60.12 ATOM 874 N GLU 56 -10.036 -19.268 20.068 1.00 64.04 ATOM 875 HN GLU 56 -10.086 -19.118 19.093 1.00 38.02 ATOM 876 CA GLU 56 -10.596 -20.492 20.627 1.00 22.43 ATOM 877 HA GLU 56 -11.406 -20.210 21.278 1.00 0.22 ATOM 878 CB GLU 56 -11.110 -21.402 19.509 1.00 10.14 ATOM 879 HB1 GLU 56 -10.997 -22.438 19.798 1.00 38.02 ATOM 880 HB2 GLU 56 -10.535 -21.221 18.623 1.00 22.22 ATOM 881 CG GLU 56 -12.575 -21.181 19.171 1.00 63.53 ATOM 882 HG1 GLU 56 -12.870 -21.899 18.420 1.00 38.02 ATOM 883 HG2 GLU 56 -12.693 -20.182 18.778 1.00 0.32 ATOM 884 CD GLU 56 -13.482 -21.339 20.375 1.00 32.42 ATOM 885 OE1 GLU 56 -13.269 -22.288 21.159 1.00 52.20 ATOM 886 OE2 GLU 56 -14.406 -20.514 20.534 1.00 43.43 ATOM 887 C GLU 56 -9.556 -21.234 21.463 1.00 15.34 ATOM 888 O GLU 56 -9.867 -21.768 22.528 1.00 61.15 ATOM 889 N ALA 57 -8.322 -21.262 20.973 1.00 44.51 ATOM 890 HN ALA 57 -8.133 -20.832 20.105 1.00 38.02 ATOM 891 CA ALA 57 -7.236 -21.935 21.674 1.00 30.34 ATOM 892 HA ALA 57 -7.472 -22.988 21.728 1.00 32.41 ATOM 893 CB ALA 57 -5.935 -21.787 20.900 1.00 60.44 ATOM 894 HB1 ALA 57 -6.073 -22.158 19.896 1.00 52.13 ATOM 895 HB2 ALA 57 -5.155 -22.355 21.387 1.00 34.13 ATOM 896 HB3 ALA 57 -5.651 -20.744 20.860 1.00 63.33 ATOM 897 C ALA 57 -7.076 -21.391 23.090 1.00 62.12 ATOM 898 O ALA 57 -6.802 -22.140 24.026 1.00 22.52 ATOM 899 N GLY 58 -7.248 -20.081 23.238 1.00 1.14 ATOM 900 HN GLY 58 -7.451 -19.514 22.461 1.00 38.02 ATOM 901 CA GLY 58 -7.117 -19.459 24.543 1.00 14.10 ATOM 902 HA1 GLY 58 -7.136 -18.386 24.417 1.00 38.02 ATOM 903 HA2 GLY 58 -6.168 -19.740 24.983 1.00 52.51 ATOM 904 C GLY 58 -8.234 -19.855 25.489 1.00 63.53 ATOM 905 O GLY 58 -8.011 -20.021 26.688 1.00 62.35 ATOM 906 N MET 59 -9.439 -20.006 24.949 1.00 62.31 ATOM 907 HN MET 59 -9.543 -19.880 23.983 1.00 38.02 ATOM 908 CA MET 59 -10.594 -20.385 25.754 1.00 72.31 ATOM 909 HA MET 59 -10.771 -19.603 26.472 1.00 1.53 ATOM 910 CB MET 59 -11.828 -20.554 24.866 1.00 54.54 ATOM 911 HB1 MET 59 -12.697 -20.701 25.485 1.00 38.02 ATOM 912 HB2 MET 59 -11.693 -21.432 24.245 1.00 55.41 ATOM 913 CG MET 59 -12.076 -19.374 23.940 1.00 53.41 ATOM 914 HG1 MET 59 -13.009 -19.537 23.421 1.00 38.02 ATOM 915 HG2 MET 59 -11.283 -19.313 23.224 1.00 33.44 ATOM 916 SD MET 59 -12.184 -17.807 24.825 1.00 12.35 ATOM 917 CE MET 59 -13.262 -18.258 26.183 1.00 72.43 ATOM 918 HE1 MET 59 -13.599 -17.364 26.686 1.00 74.42 ATOM 919 HE2 MET 59 -12.727 -18.881 26.882 1.00 30.32 ATOM 920 HE3 MET 59 -14.116 -18.797 25.801 1.00 22.11 ATOM 921 C MET 59 -10.324 -21.677 26.519 1.00 61.24 ATOM 922 O MET 59 -10.488 -21.734 27.738 1.00 60.25 ATOM 923 N TYR 60 -9.909 -22.712 25.796 1.00 54.54 ATOM 924 HN TYR 60 -9.793 -22.601 24.822 1.00 38.02 ATOM 925 CA TYR 60 -9.619 -24.003 26.406 1.00 31.40 ATOM 926 HA TYR 60 -10.538 -24.403 26.795 1.00 4.12 ATOM 927 CB TYR 60 -9.063 -24.972 25.361 1.00 51.34 ATOM 928 HB1 TYR 60 -8.799 -25.910 25.834 1.00 38.02 ATOM 929 HB2 TYR 60 -8.184 -24.527 24.934 1.00 33.50 ATOM 930 CG TYR 60 -10.028 -25.267 24.235 1.00 53.23 ATOM 931 CD1 TYR 60 -9.800 -24.783 22.952 1.00 23.44 ATOM 932 HD1 TYR 60 -8.920 -24.189 22.762 1.00 72.51 ATOM 933 CD2 TYR 60 -11.169 -26.030 24.453 1.00 25.24 ATOM 934 HD2 TYR 60 -11.365 -26.416 25.444 1.00 43.23 ATOM 935 CE1 TYR 60 -10.679 -25.050 21.921 1.00 33.02 ATOM 936 HE1 TYR 60 -10.483 -24.665 20.931 1.00 15.22 ATOM 937 CE2 TYR 60 -12.053 -26.303 23.428 1.00 60.12 ATOM 938 HE2 TYR 60 -12.934 -26.898 23.619 1.00 32.32 ATOM 939 CZ TYR 60 -11.804 -25.810 22.164 1.00 72.43 ATOM 940 OH TYR 60 -12.682 -26.079 21.139 1.00 72.52 ATOM 941 HH TYR 60 -12.297 -26.726 20.540 1.00 53.14 ATOM 942 C TYR 60 -8.626 -23.852 27.555 1.00 73.54 ATOM 943 O TYR 60 -8.809 -24.428 28.627 1.00 45.10 ATOM 944 N ALA 61 -7.575 -23.073 27.321 1.00 34.20 ATOM 945 HN ALA 61 -7.479 -22.638 26.440 1.00 38.02 ATOM 946 CA ALA 61 -6.554 -22.843 28.336 1.00 74.25 ATOM 947 HA ALA 61 -6.275 -23.796 28.762 1.00 5.14 ATOM 948 CB ALA 61 -5.311 -22.233 27.705 1.00 74.34 ATOM 949 HB1 ALA 61 -4.540 -22.119 28.455 1.00 62.13 ATOM 950 HB2 ALA 61 -5.552 -21.266 27.286 1.00 42.20 ATOM 951 HB3 ALA 61 -4.953 -22.883 26.920 1.00 42.31 ATOM 952 C ALA 61 -7.080 -21.944 29.449 1.00 30.25 ATOM 953 O ALA 61 -6.522 -21.908 30.547 1.00 12.51 ATOM 954 N LEU 62 -8.155 -21.220 29.161 1.00 54.23 ATOM 955 HN LEU 62 -8.534 -21.252 28.269 1.00 38.02 ATOM 956 CA LEU 62 -8.757 -20.319 30.138 1.00 25.35 ATOM 957 HA LEU 62 -7.966 -19.891 30.745 1.00 71.15 ATOM 958 CB LEU 62 -9.505 -19.190 29.428 1.00 33.14 ATOM 959 HB1 LEU 62 -10.394 -18.939 29.999 1.00 38.02 ATOM 960 HB2 LEU 62 -9.834 -19.561 28.468 1.00 23.31 ATOM 961 CG LEU 62 -8.714 -17.902 29.197 1.00 74.12 ATOM 962 HG LEU 62 -7.684 -18.147 28.971 1.00 74.55 ATOM 963 CD1 LEU 62 -9.277 -17.137 28.009 1.00 1.42 ATOM 964 HD11 LEU 62 -10.305 -16.863 28.204 1.00 20.50 ATOM 965 HD12 LEU 62 -9.233 -17.758 27.125 1.00 51.33 ATOM 966 HD13 LEU 62 -8.693 -16.242 27.844 1.00 13.43 ATOM 967 CD2 LEU 62 -8.728 -17.035 30.447 1.00 35.45 ATOM 968 HD21 LEU 62 -9.745 -16.759 30.689 1.00 31.14 ATOM 969 HD22 LEU 62 -8.145 -16.140 30.275 1.00 61.32 ATOM 970 HD23 LEU 62 -8.299 -17.584 31.274 1.00 53.23 ATOM 971 C LEU 62 -9.708 -21.074 31.061 1.00 20.32 ATOM 972 O LEU 62 -9.704 -20.870 32.275 1.00 3.12 ATOM 973 N ARG 63 -10.521 -21.949 30.477 1.00 1.43 ATOM 974 HN ARG 63 -10.489 -22.052 29.501 1.00 38.02 ATOM 975 CA ARG 63 -11.477 -22.735 31.247 1.00 31.12 ATOM 976 HA ARG 63 -12.011 -22.068 31.912 1.00 24.31 ATOM 977 CB ARG 63 -12.487 -23.405 30.314 1.00 71.40 ATOM 978 HB1 ARG 63 -12.989 -22.633 29.745 1.00 38.02 ATOM 979 HB2 ARG 63 -13.215 -23.926 30.913 1.00 54.01 ATOM 980 CG ARG 63 -11.858 -24.391 29.343 1.00 32.53 ATOM 981 HG1 ARG 63 -11.481 -25.241 29.894 1.00 38.02 ATOM 982 HG2 ARG 63 -11.052 -23.905 28.833 1.00 1.34 ATOM 983 CD ARG 63 -12.861 -24.866 28.303 1.00 12.03 ATOM 984 HD1 ARG 63 -12.510 -24.564 27.330 1.00 38.02 ATOM 985 HD2 ARG 63 -13.828 -24.407 28.471 1.00 65.23 ATOM 986 NE ARG 63 -13.005 -26.319 28.304 1.00 24.34 ATOM 987 HE ARG 63 -12.514 -26.821 27.617 1.00 25.13 ATOM 988 CZ ARG 63 -13.755 -26.983 29.176 1.00 33.14 ATOM 989 NH1 ARG 63 -14.427 -26.327 30.112 1.00 14.11 ATOM 990 HH11 ARG 63 -14.396 -25.342 30.183 1.00 62.04 ATOM 991 HH12 ARG 63 -14.984 -26.840 30.769 1.00 60.12 ATOM 992 NH2 ARG 63 -13.835 -28.306 29.113 1.00 74.10 ATOM 993 HH21 ARG 63 -13.330 -28.808 28.408 1.00 73.13 ATOM 994 HH22 ARG 63 -14.400 -28.809 29.770 1.00 54.44 ATOM 995 C ARG 63 -10.763 -23.792 32.084 1.00 4.04 ATOM 996 O ARG 63 -11.309 -24.293 33.066 1.00 14.23 ATOM 997 N GLU 64 -9.538 -24.126 31.688 1.00 54.32 ATOM 998 HN GLU 64 -9.145 -23.713 30.888 1.00 38.02 ATOM 999 CA GLU 64 -8.751 -25.124 32.401 1.00 3.03 ATOM 1000 HA GLU 64 -9.420 -25.776 32.953 1.00 31.43 ATOM 1001 CB GLU 64 -7.950 -25.975 31.414 1.00 63.13 ATOM 1002 HB1 GLU 64 -7.218 -26.550 31.968 1.00 38.02 ATOM 1003 HB2 GLU 64 -7.433 -25.317 30.730 1.00 63.32 ATOM 1004 CG GLU 64 -8.806 -26.930 30.599 1.00 50.32 ATOM 1005 HG1 GLU 64 -9.228 -26.403 29.764 1.00 38.02 ATOM 1006 HG2 GLU 64 -9.607 -27.310 31.220 1.00 2.35 ATOM 1007 CD GLU 64 -8.020 -28.116 30.075 1.00 33.23 ATOM 1008 OE1 GLU 64 -8.414 -28.673 29.029 1.00 14.10 ATOM 1009 OE2 GLU 64 -7.012 -28.488 30.711 1.00 32.23 ATOM 1010 C GLU 64 -7.807 -24.460 33.400 1.00 63.12 ATOM 1011 O GLU 64 -6.890 -25.096 33.920 1.00 2.23 ATOM 1012 N ARG 65 -8.038 -23.178 33.661 1.00 0.22 ATOM 1013 HN ARG 65 -8.767 -22.699 33.231 1.00 38.02 ATOM 1014 CA ARG 65 -7.208 -22.427 34.595 1.00 0.32 ATOM 1015 HA ARG 65 -7.482 -21.386 34.519 1.00 21.11 ATOM 1016 CB ARG 65 -7.456 -22.903 36.028 1.00 41.13 ATOM 1017 HB1 ARG 65 -7.004 -22.189 36.702 1.00 38.02 ATOM 1018 HB2 ARG 65 -6.976 -23.863 36.179 1.00 30.24 ATOM 1019 CG ARG 65 -8.929 -23.011 36.387 1.00 2.12 ATOM 1020 HG1 ARG 65 -9.504 -22.316 35.787 1.00 38.02 ATOM 1021 HG2 ARG 65 -9.043 -22.754 37.430 1.00 63.30 ATOM 1022 CD ARG 65 -9.457 -24.417 36.154 1.00 35.51 ATOM 1023 HD1 ARG 65 -8.639 -25.124 36.080 1.00 38.02 ATOM 1024 HD2 ARG 65 -10.007 -24.421 35.225 1.00 32.43 ATOM 1025 NE ARG 65 -10.355 -24.849 37.222 1.00 22.05 ATOM 1026 HE ARG 65 -11.307 -24.945 36.999 1.00 52.53 ATOM 1027 CZ ARG 65 -9.950 -25.114 38.460 1.00 73.44 ATOM 1028 NH1 ARG 65 -8.670 -24.993 38.783 1.00 51.35 ATOM 1029 HH11 ARG 65 -7.984 -24.712 38.120 1.00 53.33 ATOM 1030 HH12 ARG 65 -8.379 -25.189 39.722 1.00 33.01 ATOM 1031 NH2 ARG 65 -10.827 -25.502 39.377 1.00 72.11 ATOM 1032 HH21 ARG 65 -11.796 -25.596 39.139 1.00 12.22 ATOM 1033 HH22 ARG 65 -10.524 -25.703 40.311 1.00 1.24 ATOM 1034 C ARG 65 -5.729 -22.573 34.248 1.00 74.42 ATOM 1035 O ARG 65 -4.875 -22.620 35.133 1.00 12.02 ATOM 1036 N ARG 66 -5.435 -22.646 32.954 1.00 73.12 ATOM 1037 HN ARG 66 -6.149 -22.564 32.281 1.00 38.02 ATOM 1038 CA ARG 66 -4.061 -22.789 32.490 1.00 63.34 ATOM 1039 HA ARG 66 -3.457 -23.198 33.294 1.00 4.34 ATOM 1040 CB ARG 66 -3.999 -23.747 31.298 1.00 13.22 ATOM 1041 HB1 ARG 66 -3.056 -23.603 30.780 1.00 38.02 ATOM 1042 HB2 ARG 66 -4.804 -23.523 30.619 1.00 52.23 ATOM 1043 CG ARG 66 -4.104 -25.212 31.688 1.00 22.15 ATOM 1044 HG1 ARG 66 -5.137 -25.444 31.901 1.00 38.02 ATOM 1045 HG2 ARG 66 -3.503 -25.393 32.569 1.00 75.41 ATOM 1046 CD ARG 66 -3.613 -26.122 30.573 1.00 34.01 ATOM 1047 HD1 ARG 66 -3.447 -27.102 30.999 1.00 38.02 ATOM 1048 HD2 ARG 66 -2.679 -25.742 30.178 1.00 12.32 ATOM 1049 NE ARG 66 -4.585 -26.230 29.488 1.00 43.12 ATOM 1050 HE ARG 66 -5.316 -25.573 29.458 1.00 71.22 ATOM 1051 CZ ARG 66 -4.532 -27.164 28.545 1.00 52.23 ATOM 1052 NH1 ARG 66 -3.561 -28.066 28.554 1.00 63.11 ATOM 1053 HH11 ARG 66 -2.853 -28.066 29.257 1.00 71.33 ATOM 1054 HH12 ARG 66 -3.533 -28.768 27.839 1.00 31.12 ATOM 1055 NH2 ARG 66 -5.453 -27.197 27.590 1.00 40.22 ATOM 1056 HH21 ARG 66 -6.190 -26.518 27.578 1.00 61.43 ATOM 1057 HH22 ARG 66 -5.415 -27.900 26.877 1.00 45.35 ATOM 1058 C ARG 66 -3.475 -21.436 32.099 1.00 51.44 ATOM 1059 O ARG 66 -4.209 -20.484 31.832 1.00 43.42 ATOM 1060 N VAL 67 -2.148 -21.357 32.067 1.00 35.13 ATOM 1061 HN VAL 67 -1.609 -22.143 32.314 1.00 38.02 ATOM 1062 CA VAL 67 -1.464 -20.121 31.709 1.00 40.25 ATOM 1063 HA VAL 67 -2.188 -19.313 31.663 1.00 42.44 ATOM 1064 CB VAL 67 -0.402 -19.742 32.758 1.00 61.42 ATOM 1065 HB VAL 67 0.393 -20.477 32.729 1.00 31.33 ATOM 1066 CG1 VAL 67 0.199 -18.381 32.443 1.00 60.12 ATOM 1067 HG11 VAL 67 0.565 -17.914 33.350 1.00 10.23 ATOM 1068 HG12 VAL 67 -0.538 -17.734 31.984 1.00 3.53 ATOM 1069 HG13 VAL 67 1.026 -18.517 31.772 1.00 34.24 ATOM 1070 CG2 VAL 67 -1.004 -19.758 34.155 1.00 72.24 ATOM 1071 HG21 VAL 67 -1.353 -20.753 34.391 1.00 21.21 ATOM 1072 HG22 VAL 67 -1.832 -19.065 34.203 1.00 73.24 ATOM 1073 HG23 VAL 67 -0.253 -19.467 34.877 1.00 61.34 ATOM 1074 C VAL 67 -0.795 -20.239 30.344 1.00 63.21 ATOM 1075 O VAL 67 -0.559 -19.238 29.667 1.00 54.13 ATOM 1076 N HIS 68 -0.490 -21.470 29.945 1.00 74.21 ATOM 1077 HN HIS 68 -0.680 -22.242 30.515 1.00 38.02 ATOM 1078 CA HIS 68 0.151 -21.720 28.659 1.00 24.42 ATOM 1079 HA HIS 68 0.355 -20.783 28.181 1.00 24.45 ATOM 1080 CB HIS 68 1.466 -22.474 28.860 1.00 63.32 ATOM 1081 HB1 HIS 68 1.723 -23.012 27.954 1.00 38.02 ATOM 1082 HB2 HIS 68 1.353 -23.183 29.667 1.00 13.22 ATOM 1083 CG HIS 68 2.623 -21.583 29.193 1.00 32.04 ATOM 1084 ND1 HIS 68 2.480 -20.380 29.851 1.00 3.34 ATOM 1085 HD1 HIS 68 1.658 -20.014 30.190 1.00 73.22 ATOM 1086 CD2 HIS 68 3.948 -21.727 28.958 1.00 51.43 ATOM 1087 HD2 HIS 68 4.424 -22.560 28.460 1.00 75.41 ATOM 1088 CE1 HIS 68 3.667 -19.821 30.004 1.00 5.34 ATOM 1089 HE1 HIS 68 3.862 -18.874 30.485 1.00 4.51 ATOM 1090 NE2 HIS 68 4.575 -20.618 29.471 1.00 23.21 ATOM 1091 HE2 HIS 68 5.545 -20.489 29.531 1.00 38.02 ATOM 1092 C HIS 68 -0.769 -22.515 27.738 1.00 31.40 ATOM 1093 O HIS 68 -1.519 -23.381 28.189 1.00 12.14 ATOM 1094 N VAL 69 -0.707 -22.215 26.445 1.00 71.14 ATOM 1095 HN VAL 69 -0.081 -21.532 26.139 1.00 38.02 ATOM 1096 CA VAL 69 -1.535 -22.902 25.460 1.00 44.22 ATOM 1097 HA VAL 69 -2.403 -23.319 25.966 1.00 73.12 ATOM 1098 CB VAL 69 -2.047 -21.929 24.381 1.00 15.15 ATOM 1099 HB VAL 69 -1.207 -21.569 23.807 1.00 43.13 ATOM 1100 CG1 VAL 69 -2.990 -22.642 23.424 1.00 42.24 ATOM 1101 HG11 VAL 69 -3.797 -23.100 23.979 1.00 51.14 ATOM 1102 HG12 VAL 69 -2.455 -23.401 22.875 1.00 52.33 ATOM 1103 HG13 VAL 69 -3.402 -21.929 22.722 1.00 13.54 ATOM 1104 CG2 VAL 69 -2.733 -20.733 25.026 1.00 61.43 ATOM 1105 HG21 VAL 69 -3.590 -21.070 25.593 1.00 51.15 ATOM 1106 HG22 VAL 69 -3.061 -20.048 24.257 1.00 24.40 ATOM 1107 HG23 VAL 69 -2.049 -20.221 25.685 1.00 53.10 ATOM 1108 C VAL 69 -0.763 -24.030 24.785 1.00 33.51 ATOM 1109 O VAL 69 0.403 -23.871 24.422 1.00 31.24 ATOM 1110 N THR 70 -1.422 -25.173 24.618 1.00 31.14 ATOM 1111 HN THR 70 -2.360 -25.238 24.908 1.00 38.02 ATOM 1112 CA THR 70 -0.799 -26.330 23.988 1.00 42.34 ATOM 1113 HA THR 70 0.279 -26.214 24.017 1.00 43.43 ATOM 1114 CB THR 70 -1.148 -27.632 24.733 1.00 43.03 ATOM 1115 HB THR 70 -0.644 -28.459 24.249 1.00 24.21 ATOM 1116 OG1 THR 70 -2.561 -27.857 24.690 1.00 71.42 ATOM 1117 HG1 THR 70 -3.035 -27.206 25.221 1.00 13.44 ATOM 1118 CG2 THR 70 -0.683 -27.569 26.180 1.00 42.42 ATOM 1119 HG21 THR 70 -0.934 -28.494 26.677 1.00 12.12 ATOM 1120 HG22 THR 70 -1.172 -26.747 26.683 1.00 21.44 ATOM 1121 HG23 THR 70 0.388 -27.425 26.211 1.00 20.55 ATOM 1122 C THR 70 -1.229 -26.460 22.531 1.00 33.11 ATOM 1123 O THR 70 -2.287 -25.967 22.141 1.00 11.22 ATOM 1124 N GLN 71 -0.403 -27.128 21.732 1.00 11.32 ATOM 1125 HN GLN 71 0.434 -27.498 22.104 1.00 38.02 ATOM 1126 CA GLN 71 -0.700 -27.322 20.318 1.00 62.31 ATOM 1127 HA GLN 71 -0.667 -26.356 19.835 1.00 50.34 ATOM 1128 CB GLN 71 0.348 -28.233 19.676 1.00 31.50 ATOM 1129 HB1 GLN 71 0.451 -29.120 20.284 1.00 38.02 ATOM 1130 HB2 GLN 71 1.294 -27.719 19.648 1.00 32.21 ATOM 1131 CG GLN 71 -0.006 -28.666 18.262 1.00 1.32 ATOM 1132 HG1 GLN 71 -0.132 -27.783 17.657 1.00 38.02 ATOM 1133 HG2 GLN 71 -0.929 -29.226 18.279 1.00 74.21 ATOM 1134 CD GLN 71 1.057 -29.549 17.639 1.00 73.02 ATOM 1135 OE1 GLN 71 1.435 -30.576 18.202 1.00 23.43 ATOM 1136 NE2 GLN 71 1.544 -29.153 16.469 1.00 64.11 ATOM 1137 HE21 GLN 71 1.210 -28.322 16.062 1.00 63.01 ATOM 1138 HE22 GLN 71 2.218 -29.723 16.046 1.00 52.51 ATOM 1139 C GLN 71 -2.092 -27.917 20.131 1.00 65.34 ATOM 1140 O GLN 71 -2.843 -27.497 19.252 1.00 42.44 ATOM 1141 N GLU 72 -2.428 -28.898 20.963 1.00 65.13 ATOM 1142 HN GLU 72 -1.780 -29.198 21.643 1.00 38.02 ATOM 1143 CA GLU 72 -3.729 -29.551 20.887 1.00 71.13 ATOM 1144 HA GLU 72 -3.767 -30.103 19.972 1.00 51.21 ATOM 1145 CB GLU 72 -3.901 -30.532 22.048 1.00 21.14 ATOM 1146 HB1 GLU 72 -4.895 -30.962 21.997 1.00 38.02 ATOM 1147 HB2 GLU 72 -3.798 -29.993 22.979 1.00 15.41 ATOM 1148 CG GLU 72 -2.889 -31.666 22.043 1.00 51.45 ATOM 1149 HG1 GLU 72 -1.924 -31.273 22.328 1.00 38.02 ATOM 1150 HG2 GLU 72 -2.827 -32.080 21.046 1.00 20.42 ATOM 1151 CD GLU 72 -3.259 -32.783 22.999 1.00 51.23 ATOM 1152 OE1 GLU 72 -4.204 -33.538 22.692 1.00 75.53 ATOM 1153 OE2 GLU 72 -2.602 -32.901 24.054 1.00 32.24 ATOM 1154 C GLU 72 -4.856 -28.522 20.905 1.00 61.24 ATOM 1155 O GLU 72 -5.829 -28.638 20.159 1.00 21.43 ATOM 1156 N ASP 73 -4.717 -27.516 21.761 1.00 22.41 ATOM 1157 HN ASP 73 -3.921 -27.481 22.343 1.00 38.02 ATOM 1158 CA ASP 73 -5.722 -26.466 21.877 1.00 61.12 ATOM 1159 HA ASP 73 -6.678 -26.935 22.071 1.00 33.11 ATOM 1160 CB ASP 73 -5.367 -25.515 23.020 1.00 3.44 ATOM 1161 HB1 ASP 73 -5.692 -24.510 22.780 1.00 38.02 ATOM 1162 HB2 ASP 73 -4.304 -25.505 23.176 1.00 50.05 ATOM 1163 CG ASP 73 -6.027 -25.908 24.327 1.00 14.31 ATOM 1164 OD1 ASP 73 -5.967 -25.110 25.287 1.00 62.35 ATOM 1165 OD2 ASP 73 -6.606 -27.012 24.390 1.00 22.51 ATOM 1166 C ASP 73 -5.847 -25.687 20.571 1.00 71.50 ATOM 1167 O ASP 73 -6.937 -25.253 20.197 1.00 62.52 ATOM 1168 N PHE 74 -4.724 -25.513 19.882 1.00 72.31 ATOM 1169 HN PHE 74 -3.877 -25.863 20.237 1.00 38.02 ATOM 1170 CA PHE 74 -4.708 -24.785 18.619 1.00 64.03 ATOM 1171 HA PHE 74 -5.250 -23.856 18.756 1.00 63.30 ATOM 1172 CB PHE 74 -3.268 -24.475 18.203 1.00 20.12 ATOM 1173 HB1 PHE 74 -3.194 -24.466 17.124 1.00 38.02 ATOM 1174 HB2 PHE 74 -2.609 -25.243 18.578 1.00 62.33 ATOM 1175 CG PHE 74 -2.774 -23.146 18.699 1.00 23.33 ATOM 1176 CD1 PHE 74 -1.908 -23.073 19.779 1.00 34.41 ATOM 1177 HD1 PHE 74 -1.588 -23.982 20.268 1.00 12.41 ATOM 1178 CD2 PHE 74 -3.174 -21.970 18.086 1.00 61.33 ATOM 1179 HD2 PHE 74 -3.849 -22.010 17.242 1.00 2.54 ATOM 1180 CE1 PHE 74 -1.453 -21.852 20.238 1.00 1.00 ATOM 1181 HE1 PHE 74 -0.795 -21.819 21.076 1.00 33.51 ATOM 1182 CE2 PHE 74 -2.721 -20.746 18.540 1.00 13.20 ATOM 1183 HE2 PHE 74 -3.040 -19.837 18.053 1.00 62.00 ATOM 1184 CZ PHE 74 -1.859 -20.687 19.617 1.00 2.10 ATOM 1185 HZ PHE 74 -1.504 -19.732 19.974 1.00 65.41 ATOM 1186 C PHE 74 -5.405 -25.584 17.521 1.00 2.32 ATOM 1187 O PHE 74 -6.339 -25.098 16.884 1.00 4.42 ATOM 1188 N GLU 75 -4.943 -26.812 17.307 1.00 41.32 ATOM 1189 HN GLU 75 -4.174 -27.126 17.835 1.00 38.02 ATOM 1190 CA GLU 75 -5.521 -27.677 16.286 1.00 72.14 ATOM 1191 HA GLU 75 -5.435 -27.178 15.331 1.00 21.21 ATOM 1192 CB GLU 75 -4.760 -29.003 16.218 1.00 41.30 ATOM 1193 HB1 GLU 75 -3.759 -28.821 15.880 1.00 38.02 ATOM 1194 HB2 GLU 75 -5.250 -29.652 15.503 1.00 52.34 ATOM 1195 CG GLU 75 -4.683 -29.729 17.550 1.00 34.23 ATOM 1196 HG1 GLU 75 -5.675 -29.867 17.944 1.00 38.02 ATOM 1197 HG2 GLU 75 -4.111 -29.137 18.225 1.00 52.02 ATOM 1198 CD GLU 75 -4.028 -31.092 17.435 1.00 53.12 ATOM 1199 OE1 GLU 75 -4.757 -32.105 17.479 1.00 60.30 ATOM 1200 OE2 GLU 75 -2.788 -31.145 17.301 1.00 71.23 ATOM 1201 C GLU 75 -6.998 -27.940 16.568 1.00 42.25 ATOM 1202 O GLU 75 -7.808 -28.041 15.647 1.00 42.54 ATOM 1203 N MET 76 -7.339 -28.050 17.847 1.00 32.21 ATOM 1204 HN MET 76 -6.645 -27.978 18.544 1.00 38.02 ATOM 1205 CA MET 76 -8.718 -28.301 18.251 1.00 50.41 ATOM 1206 HA MET 76 -9.025 -29.233 17.800 1.00 4.22 ATOM 1207 CB MET 76 -8.816 -28.397 19.775 1.00 73.04 ATOM 1208 HB1 MET 76 -9.745 -27.960 20.111 1.00 38.02 ATOM 1209 HB2 MET 76 -8.012 -27.832 20.219 1.00 1.42 ATOM 1210 CG MET 76 -8.739 -29.821 20.300 1.00 61.54 ATOM 1211 HG1 MET 76 -8.679 -29.788 21.378 1.00 38.02 ATOM 1212 HG2 MET 76 -7.849 -30.293 19.908 1.00 72.33 ATOM 1213 SD MET 76 -10.172 -30.812 19.834 1.00 22.03 ATOM 1214 CE MET 76 -11.499 -29.846 20.551 1.00 4.15 ATOM 1215 HE1 MET 76 -11.682 -28.974 19.940 1.00 12.33 ATOM 1216 HE2 MET 76 -11.220 -29.536 21.547 1.00 33.24 ATOM 1217 HE3 MET 76 -12.396 -30.446 20.599 1.00 72.25 ATOM 1218 C MET 76 -9.643 -27.201 17.739 1.00 43.14 ATOM 1219 O MET 76 -10.708 -27.479 17.188 1.00 24.11 ATOM 1220 N ALA 77 -9.229 -25.952 17.924 1.00 3.20 ATOM 1221 HN ALA 77 -8.368 -25.790 18.380 1.00 38.02 ATOM 1222 CA ALA 77 -10.019 -24.811 17.479 1.00 54.00 ATOM 1223 HA ALA 77 -10.980 -24.851 17.976 1.00 1.11 ATOM 1224 CB ALA 77 -9.339 -23.510 17.878 1.00 14.31 ATOM 1225 HB1 ALA 77 -8.331 -23.501 17.491 1.00 53.10 ATOM 1226 HB2 ALA 77 -9.309 -23.432 18.953 1.00 12.05 ATOM 1227 HB3 ALA 77 -9.885 -22.682 17.467 1.00 34.41 ATOM 1228 C ALA 77 -10.243 -24.853 15.971 1.00 2.41 ATOM 1229 O ALA 77 -11.292 -24.438 15.477 1.00 24.40 ATOM 1230 N VAL 78 -9.250 -25.355 15.244 1.00 44.50 ATOM 1231 HN VAL 78 -8.448 -25.692 15.698 1.00 38.02 ATOM 1232 CA VAL 78 -9.338 -25.450 13.792 1.00 71.52 ATOM 1233 HA VAL 78 -9.481 -24.450 13.399 1.00 3.13 ATOM 1234 CB VAL 78 -8.045 -26.029 13.188 1.00 44.33 ATOM 1235 HB VAL 78 -7.932 -27.050 13.515 1.00 44.14 ATOM 1236 CG1 VAL 78 -8.120 -26.033 11.669 1.00 70.05 ATOM 1237 HG11 VAL 78 -8.756 -26.843 11.344 1.00 10.45 ATOM 1238 HG12 VAL 78 -7.133 -26.170 11.251 1.00 51.10 ATOM 1239 HG13 VAL 78 -8.533 -25.099 11.323 1.00 40.22 ATOM 1240 CG2 VAL 78 -6.835 -25.241 13.667 1.00 23.45 ATOM 1241 HG21 VAL 78 -6.718 -25.364 14.719 1.00 42.40 ATOM 1242 HG22 VAL 78 -6.968 -24.195 13.438 1.00 44.44 ATOM 1243 HG23 VAL 78 -5.945 -25.603 13.169 1.00 34.00 ATOM 1244 C VAL 78 -10.517 -26.320 13.369 1.00 24.53 ATOM 1245 O VAL 78 -11.307 -25.937 12.508 1.00 12.40 ATOM 1246 N ALA 79 -10.628 -27.494 13.982 1.00 21.51 ATOM 1247 HN ALA 79 -9.960 -27.749 14.663 1.00 38.02 ATOM 1248 CA ALA 79 -11.712 -28.419 13.671 1.00 5.45 ATOM 1249 HA ALA 79 -11.682 -28.632 12.610 1.00 62.23 ATOM 1250 CB ALA 79 -11.517 -29.730 14.417 1.00 24.34 ATOM 1251 HB1 ALA 79 -11.560 -29.553 15.483 1.00 15.33 ATOM 1252 HB2 ALA 79 -10.553 -30.146 14.163 1.00 25.03 ATOM 1253 HB3 ALA 79 -12.293 -30.428 14.136 1.00 53.13 ATOM 1254 C ALA 79 -13.067 -27.810 14.013 1.00 12.34 ATOM 1255 O ALA 79 -14.091 -28.186 13.441 1.00 5.42 ATOM 1256 N LYS 80 -13.068 -26.868 14.950 1.00 10.34 ATOM 1257 HN LYS 80 -12.234 -26.627 15.405 1.00 38.02 ATOM 1258 CA LYS 80 -14.298 -26.205 15.369 1.00 23.41 ATOM 1259 HA LYS 80 -15.098 -26.936 15.378 1.00 1.23 ATOM 1260 CB LYS 80 -14.141 -25.639 16.782 1.00 24.01 ATOM 1261 HB1 LYS 80 -13.347 -24.905 16.774 1.00 38.02 ATOM 1262 HB2 LYS 80 -13.847 -26.447 17.433 1.00 14.14 ATOM 1263 CG LYS 80 -15.396 -24.968 17.312 1.00 73.34 ATOM 1264 HG1 LYS 80 -16.075 -24.731 16.505 1.00 38.02 ATOM 1265 HG2 LYS 80 -15.113 -24.050 17.807 1.00 13.53 ATOM 1266 CD LYS 80 -16.127 -25.857 18.304 1.00 72.22 ATOM 1267 HD1 LYS 80 -16.274 -26.837 17.868 1.00 38.02 ATOM 1268 HD2 LYS 80 -17.090 -25.417 18.520 1.00 55.10 ATOM 1269 CE LYS 80 -15.346 -26.005 19.600 1.00 23.42 ATOM 1270 HE1 LYS 80 -14.288 -25.964 19.408 1.00 38.02 ATOM 1271 HE2 LYS 80 -15.587 -26.964 20.033 1.00 24.31 ATOM 1272 NZ LYS 80 -15.697 -24.944 20.584 1.00 31.31 ATOM 1273 HZ1 LYS 80 -16.711 -24.989 20.819 1.00 13.13 ATOM 1274 HZ2 LYS 80 -15.484 -24.003 20.194 1.00 43.34 ATOM 1275 HZ3 LYS 80 -15.146 -25.074 21.457 1.00 41.52 ATOM 1276 C LYS 80 -14.671 -25.088 14.401 1.00 43.35 ATOM 1277 O LYS 80 -15.792 -25.039 13.895 1.00 71.11 ATOM 1278 N VAL 81 -13.723 -24.191 14.145 1.00 62.41 ATOM 1279 HN VAL 81 -12.839 -24.295 14.565 1.00 38.02 ATOM 1280 CA VAL 81 -13.951 -23.076 13.235 1.00 53.53 ATOM 1281 HA VAL 81 -14.849 -22.556 13.552 1.00 62.11 ATOM 1282 CB VAL 81 -12.779 -22.077 13.266 1.00 52.30 ATOM 1283 HB VAL 81 -11.878 -22.594 12.963 1.00 52.45 ATOM 1284 CG1 VAL 81 -13.023 -20.936 12.290 1.00 54.11 ATOM 1285 HG11 VAL 81 -12.915 -21.297 11.283 1.00 34.14 ATOM 1286 HG12 VAL 81 -12.299 -20.149 12.458 1.00 0.43 ATOM 1287 HG13 VAL 81 -14.020 -20.537 12.426 1.00 51.31 ATOM 1288 CG2 VAL 81 -12.569 -21.547 14.676 1.00 1.23 ATOM 1289 HG21 VAL 81 -13.450 -21.006 14.994 1.00 33.12 ATOM 1290 HG22 VAL 81 -11.718 -20.880 14.688 1.00 13.42 ATOM 1291 HG23 VAL 81 -12.388 -22.358 15.357 1.00 44.34 ATOM 1292 C VAL 81 -14.150 -23.565 11.804 1.00 3.25 ATOM 1293 O VAL 81 -14.837 -22.925 11.009 1.00 65.03 ATOM 1294 N MET 82 -13.544 -24.704 11.485 1.00 3.31 ATOM 1295 HN MET 82 -13.000 -25.178 12.155 1.00 38.02 ATOM 1296 CA MET 82 -13.655 -25.280 10.150 1.00 34.12 ATOM 1297 HA MET 82 -13.873 -24.491 9.442 1.00 44.41 ATOM 1298 CB MET 82 -12.339 -25.947 9.748 1.00 61.33 ATOM 1299 HB1 MET 82 -12.451 -26.394 8.771 1.00 38.02 ATOM 1300 HB2 MET 82 -12.119 -26.733 10.455 1.00 44.23 ATOM 1301 CG MET 82 -11.157 -24.991 9.718 1.00 74.42 ATOM 1302 HG1 MET 82 -10.252 -25.566 9.587 1.00 38.02 ATOM 1303 HG2 MET 82 -11.106 -24.454 10.653 1.00 14.33 ATOM 1304 SD MET 82 -11.272 -23.788 8.380 1.00 4.53 ATOM 1305 CE MET 82 -11.285 -24.868 6.952 1.00 22.42 ATOM 1306 HE1 MET 82 -10.542 -25.639 7.078 1.00 63.12 ATOM 1307 HE2 MET 82 -11.060 -24.296 6.066 1.00 53.11 ATOM 1308 HE3 MET 82 -12.260 -25.321 6.850 1.00 13.23 ATOM 1309 C MET 82 -14.793 -26.295 10.090 1.00 44.03 ATOM 1310 O MET 82 -15.374 -26.526 9.030 1.00 64.02 ATOM 1311 N GLN 83 -15.104 -26.897 11.233 1.00 62.20 ATOM 1312 HN GLN 83 -14.610 -26.693 12.053 1.00 38.02 ATOM 1313 CA GLN 83 -16.171 -27.888 11.308 1.00 20.01 ATOM 1314 HA GLN 83 -16.170 -28.309 12.302 1.00 12.24 ATOM 1315 CB GLN 83 -17.526 -27.230 11.044 1.00 52.24 ATOM 1316 HB1 GLN 83 -18.249 -27.996 10.787 1.00 38.02 ATOM 1317 HB2 GLN 83 -17.447 -26.543 10.218 1.00 71.30 ATOM 1318 CG GLN 83 -18.076 -26.468 12.239 1.00 73.23 ATOM 1319 HG1 GLN 83 -17.559 -25.523 12.311 1.00 38.02 ATOM 1320 HG2 GLN 83 -17.902 -27.042 13.140 1.00 0.43 ATOM 1321 CD GLN 83 -19.564 -26.202 12.126 1.00 14.42 ATOM 1322 OE1 GLN 83 -20.386 -27.012 12.555 1.00 32.12 ATOM 1323 NE2 GLN 83 -19.920 -25.061 11.547 1.00 5.31 ATOM 1324 HE21 GLN 83 -19.220 -24.449 11.223 1.00 51.31 ATOM 1325 HE22 GLN 83 -20.878 -24.871 11.465 1.00 24.24 ATOM 1326 C GLN 83 -15.937 -29.017 10.309 1.00 10.25 ATOM 1327 O GLN 83 -16.872 -29.498 9.669 1.00 13.24 ATOM 1328 N LYS 84 -14.683 -29.435 10.181 1.00 64.54 ATOM 1329 HN LYS 84 -13.972 -29.035 10.732 1.00 38.02 ATOM 1330 CA LYS 84 -14.324 -30.509 9.261 1.00 53.52 ATOM 1331 HA LYS 84 -15.182 -30.717 8.641 1.00 52.10 ATOM 1332 CB LYS 84 -13.157 -30.076 8.370 1.00 35.20 ATOM 1333 HB1 LYS 84 -12.237 -30.102 8.941 1.00 38.02 ATOM 1334 HB2 LYS 84 -13.329 -29.059 8.041 1.00 63.11 ATOM 1335 CG LYS 84 -12.977 -30.947 7.139 1.00 23.30 ATOM 1336 HG1 LYS 84 -12.814 -31.968 7.453 1.00 38.02 ATOM 1337 HG2 LYS 84 -12.113 -30.595 6.592 1.00 71.33 ATOM 1338 CD LYS 84 -14.197 -30.895 6.235 1.00 62.31 ATOM 1339 HD1 LYS 84 -14.437 -29.862 6.017 1.00 38.02 ATOM 1340 HD2 LYS 84 -15.031 -31.362 6.734 1.00 52.24 ATOM 1341 CE LYS 84 -13.949 -31.623 4.922 1.00 34.04 ATOM 1342 HE1 LYS 84 -12.922 -31.480 4.610 1.00 38.02 ATOM 1343 HE2 LYS 84 -14.606 -31.207 4.173 1.00 63.43 ATOM 1344 NZ LYS 84 -14.224 -33.082 5.037 1.00 74.12 ATOM 1345 HZ1 LYS 84 -13.607 -33.511 5.758 1.00 74.03 ATOM 1346 HZ2 LYS 84 -14.045 -33.549 4.126 1.00 73.13 ATOM 1347 HZ3 LYS 84 -15.218 -33.243 5.304 1.00 41.21 ATOM 1348 C LYS 84 -13.953 -31.777 10.022 1.00 14.04 ATOM 1349 O LYS 84 -12.909 -31.840 10.671 1.00 11.44 ATOM 1350 N ASP 85 -14.814 -32.785 9.938 1.00 60.33 ATOM 1351 HN ASP 85 -15.618 -32.688 9.374 1.00 38.02 ATOM 1352 CA ASP 85 -14.575 -34.053 10.617 1.00 32.51 ATOM 1353 HA ASP 85 -14.042 -33.858 11.541 1.00 75.32 ATOM 1354 CB ASP 85 -15.903 -34.731 10.960 1.00 1.32 ATOM 1355 HB1 ASP 85 -15.736 -35.464 11.735 1.00 38.02 ATOM 1356 HB2 ASP 85 -16.305 -35.223 10.083 1.00 11.15 ATOM 1357 CG ASP 85 -16.945 -33.745 11.451 1.00 34.51 ATOM 1358 OD1 ASP 85 -17.645 -33.151 10.604 1.00 24.14 ATOM 1359 OD2 ASP 85 -17.062 -33.568 12.682 1.00 25.10 ATOM 1360 C ASP 85 -13.725 -34.981 9.754 1.00 52.30 ATOM 1361 O ASP 85 -14.145 -36.087 9.414 1.00 52.43 ATOM 1362 N SER 86 -12.528 -34.522 9.402 1.00 13.54 ATOM 1363 HN SER 86 -12.218 -33.653 9.737 1.00 38.02 ATOM 1364 HA SER 86 -12.187 -36.070 8.051 1.00 13.53 ATOM 1365 CB SER 86 -10.946 -34.415 7.532 1.00 64.03 ATOM 1366 HB1 SER 86 -10.092 -34.927 7.103 1.00 38.02 ATOM 1367 HB2 SER 86 -10.615 -33.500 8.001 1.00 25.21 ATOM 1368 OG SER 86 -11.841 -34.089 6.483 1.00 41.21 ATOM 1369 HG SER 86 -11.384 -33.562 5.824 1.00 63.02 ATOM 1370 CA SER 86 -11.621 -35.308 8.575 1.00 40.44 ATOM 1371 C SER 86 -10.564 -35.997 9.432 1.00 62.45 ATOM 1372 OT1 SER 86 -9.860 -35.293 10.190 1.00 38.02 ATOM 1373 OT2 SER 86 -10.445 -37.238 9.341 1.00 38.02 ATOM 1374 OH2 TIP3 1 -14.791 -34.764 -1.547 0.00 0.00 WAT1 ATOM 1375 H1 TIP3 1 -15.657 -34.869 -1.153 0.00 0.00 WAT1 ATOM 1376 H2 TIP3 1 -14.415 -34.005 -1.100 0.00 0.00 WAT1 ATOM 1377 OH2 TIP3 2 -19.319 -37.614 5.509 0.00 0.00 WAT1 ATOM 1378 H1 TIP3 2 -19.230 -36.670 5.377 0.00 0.00 WAT1 ATOM 1379 H2 TIP3 2 -19.958 -37.889 4.851 0.00 0.00 WAT1 ATOM 1380 OH2 TIP3 3 -20.386 -38.359 8.928 0.00 0.00 WAT1 ATOM 1381 H1 TIP3 3 -20.424 -39.005 9.633 0.00 0.00 WAT1 ATOM 1382 H2 TIP3 3 -20.709 -38.825 8.157 0.00 0.00 WAT1 ATOM 1383 OH2 TIP3 4 -21.997 -35.926 9.334 0.00 0.00 WAT1 ATOM 1384 H1 TIP3 4 -21.693 -36.612 8.740 0.00 0.00 WAT1 ATOM 1385 H2 TIP3 4 -21.275 -35.808 9.952 0.00 0.00 WAT1 ATOM 1386 OH2 TIP3 5 -13.334 -44.325 10.195 0.00 0.00 WAT1 ATOM 1387 H1 TIP3 5 -13.285 -43.715 10.931 0.00 0.00 WAT1 ATOM 1388 H2 TIP3 5 -12.908 -43.864 9.472 0.00 0.00 WAT1 ATOM 1389 OH2 TIP3 6 -18.856 -41.532 9.662 0.00 0.00 WAT1 ATOM 1390 H1 TIP3 6 -18.713 -42.479 9.682 0.00 0.00 WAT1 ATOM 1391 H2 TIP3 6 -18.962 -41.325 8.733 0.00 0.00 WAT1 ATOM 1392 OH2 TIP3 7 -12.942 -42.847 12.431 0.00 0.00 WAT1 ATOM 1393 H1 TIP3 7 -13.631 -42.189 12.336 0.00 0.00 WAT1 ATOM 1394 H2 TIP3 7 -12.927 -43.044 13.368 0.00 0.00 WAT1 ATOM 1395 OH2 TIP3 8 -19.522 -35.013 4.552 0.00 0.00 WAT1 ATOM 1396 H1 TIP3 8 -19.818 -35.335 3.701 0.00 0.00 WAT1 ATOM 1397 H2 TIP3 8 -19.846 -34.113 4.594 0.00 0.00 WAT1 ATOM 1398 OH2 TIP3 9 -24.322 -36.837 11.296 0.00 0.00 WAT1 ATOM 1399 H1 TIP3 9 -25.062 -36.239 11.399 0.00 0.00 WAT1 ATOM 1400 H2 TIP3 9 -23.608 -36.283 10.980 0.00 0.00 WAT1 ATOM 1401 OH2 TIP3 10 -17.192 -38.160 3.913 0.00 0.00 WAT1 ATOM 1402 H1 TIP3 10 -17.924 -37.932 4.486 0.00 0.00 WAT1 ATOM 1403 H2 TIP3 10 -16.745 -38.874 4.368 0.00 0.00 WAT1 ATOM 1404 OH2 TIP3 11 -17.295 -39.986 12.981 0.00 0.00 WAT1 ATOM 1405 H1 TIP3 11 -17.215 -39.223 13.553 0.00 0.00 WAT1 ATOM 1406 H2 TIP3 11 -17.896 -39.707 12.290 0.00 0.00 WAT1 ATOM 1407 OH2 TIP3 12 -24.180 -34.102 8.477 0.00 0.00 WAT1 ATOM 1408 H1 TIP3 12 -24.275 -34.680 7.720 0.00 0.00 WAT1 ATOM 1409 H2 TIP3 12 -23.451 -34.473 8.973 0.00 0.00 WAT1 ATOM 1410 OH2 TIP3 13 -24.300 -34.362 14.146 0.00 0.00 WAT1 ATOM 1411 H1 TIP3 13 -24.612 -33.580 14.602 0.00 0.00 WAT1 ATOM 1412 H2 TIP3 13 -24.950 -34.515 13.460 0.00 0.00 WAT1 ATOM 1413 OH2 TIP3 14 -18.321 -38.998 1.598 0.00 0.00 WAT1 ATOM 1414 H1 TIP3 14 -17.742 -38.848 2.345 0.00 0.00 WAT1 ATOM 1415 H2 TIP3 14 -17.907 -38.527 0.875 0.00 0.00 WAT1 ATOM 1416 OH2 TIP3 15 -20.595 -32.261 5.033 0.00 0.00 WAT1 ATOM 1417 H1 TIP3 15 -20.121 -31.966 5.811 0.00 0.00 WAT1 ATOM 1418 H2 TIP3 15 -21.158 -31.523 4.800 0.00 0.00 WAT1 ATOM 1419 OH2 TIP3 16 -13.433 -32.882 -0.212 0.00 0.00 WAT1 ATOM 1420 H1 TIP3 16 -13.360 -31.943 -0.042 0.00 0.00 WAT1 ATOM 1421 H2 TIP3 16 -12.528 -33.187 -0.269 0.00 0.00 WAT1 ATOM 1422 OH2 TIP3 17 -21.537 -33.077 13.642 0.00 0.00 WAT1 ATOM 1423 H1 TIP3 17 -21.450 -32.251 14.117 0.00 0.00 WAT1 ATOM 1424 H2 TIP3 17 -22.401 -33.407 13.891 0.00 0.00 WAT1 ATOM 1425 OH2 TIP3 18 -21.123 -29.305 3.448 0.00 0.00 WAT1 ATOM 1426 H1 TIP3 18 -21.198 -29.426 2.502 0.00 0.00 WAT1 ATOM 1427 H2 TIP3 18 -21.090 -28.355 3.567 0.00 0.00 WAT1 ATOM 1428 OH2 TIP3 19 -18.021 -30.151 0.451 0.00 0.00 WAT1 ATOM 1429 H1 TIP3 19 -17.646 -30.895 -0.020 0.00 0.00 WAT1 ATOM 1430 H2 TIP3 19 -18.017 -30.421 1.369 0.00 0.00 WAT1 ATOM 1431 OH2 TIP3 20 -18.352 -30.225 3.200 0.00 0.00 WAT1 ATOM 1432 H1 TIP3 20 -19.287 -30.125 3.379 0.00 0.00 WAT1 ATOM 1433 H2 TIP3 20 -18.072 -30.934 3.778 0.00 0.00 WAT1 ATOM 1434 OH2 TIP3 21 -15.364 -41.158 15.246 0.00 0.00 WAT1 ATOM 1435 H1 TIP3 21 -15.771 -40.677 14.526 0.00 0.00 WAT1 ATOM 1436 H2 TIP3 21 -15.323 -42.063 14.939 0.00 0.00 WAT1 ATOM 1437 OH2 TIP3 22 -18.968 -41.255 6.877 0.00 0.00 WAT1 ATOM 1438 H1 TIP3 22 -19.163 -40.650 6.162 0.00 0.00 WAT1 ATOM 1439 H2 TIP3 22 -18.786 -42.089 6.442 0.00 0.00 WAT1 ATOM 1440 OH2 TIP3 23 -19.704 -39.617 11.548 0.00 0.00 WAT1 ATOM 1441 H1 TIP3 23 -19.380 -40.248 10.905 0.00 0.00 WAT1 ATOM 1442 H2 TIP3 23 -20.144 -40.152 12.209 0.00 0.00 WAT1 ATOM 1443 OH2 TIP3 24 -20.916 -36.117 13.555 0.00 0.00 WAT1 ATOM 1444 H1 TIP3 24 -21.262 -36.498 14.361 0.00 0.00 WAT1 ATOM 1445 H2 TIP3 24 -21.116 -35.183 13.626 0.00 0.00 WAT1 ATOM 1446 OH2 TIP3 25 -20.310 -34.842 1.343 0.00 0.00 WAT1 ATOM 1447 H1 TIP3 25 -20.605 -34.016 1.725 0.00 0.00 WAT1 ATOM 1448 H2 TIP3 25 -21.013 -35.462 1.539 0.00 0.00 WAT1 ATOM 1449 OH2 TIP3 26 -12.971 -35.610 14.709 0.00 0.00 WAT1 ATOM 1450 H1 TIP3 26 -13.823 -35.372 14.342 0.00 0.00 WAT1 ATOM 1451 H2 TIP3 26 -12.381 -35.627 13.956 0.00 0.00 WAT1 ATOM 1452 OH2 TIP3 27 -22.994 -31.676 11.383 0.00 0.00 WAT1 ATOM 1453 H1 TIP3 27 -22.631 -30.821 11.150 0.00 0.00 WAT1 ATOM 1454 H2 TIP3 27 -22.462 -31.968 12.124 0.00 0.00 WAT1 ATOM 1455 OH2 TIP3 28 -17.247 -34.648 0.158 0.00 0.00 WAT1 ATOM 1456 H1 TIP3 28 -16.894 -35.028 0.962 0.00 0.00 WAT1 ATOM 1457 H2 TIP3 28 -18.196 -34.741 0.244 0.00 0.00 WAT1 ATOM 1458 OH2 TIP3 29 -12.743 -30.168 0.359 0.00 0.00 WAT1 ATOM 1459 H1 TIP3 29 -12.000 -29.582 0.219 0.00 0.00 WAT1 ATOM 1460 H2 TIP3 29 -13.438 -29.600 0.692 0.00 0.00 WAT1 ATOM 1461 OH2 TIP3 30 -16.381 -35.975 2.384 0.00 0.00 WAT1 ATOM 1462 H1 TIP3 30 -16.658 -36.703 2.940 0.00 0.00 WAT1 ATOM 1463 H2 TIP3 30 -15.454 -35.856 2.590 0.00 0.00 WAT1 ATOM 1464 OH2 TIP3 31 -21.481 -32.268 1.810 0.00 0.00 WAT1 ATOM 1465 H1 TIP3 31 -22.298 -31.771 1.863 0.00 0.00 WAT1 ATOM 1466 H2 TIP3 31 -20.952 -31.793 1.170 0.00 0.00 WAT1 ATOM 1467 OH2 TIP3 32 -16.608 -40.027 7.898 0.00 0.00 WAT1 ATOM 1468 H1 TIP3 32 -17.405 -40.442 7.569 0.00 0.00 WAT1 ATOM 1469 H2 TIP3 32 -16.163 -40.718 8.389 0.00 0.00 WAT1 ATOM 1470 OH2 TIP3 33 -25.210 -31.181 17.368 0.00 0.00 WAT1 ATOM 1471 H1 TIP3 33 -24.442 -31.640 17.709 0.00 0.00 WAT1 ATOM 1472 H2 TIP3 33 -25.231 -31.407 16.438 0.00 0.00 WAT1 ATOM 1473 OH2 TIP3 34 -16.514 -31.856 -1.023 0.00 0.00 WAT1 ATOM 1474 H1 TIP3 34 -16.231 -32.650 -0.570 0.00 0.00 WAT1 ATOM 1475 H2 TIP3 34 -15.774 -31.623 -1.584 0.00 0.00 WAT1 ATOM 1476 OH2 TIP3 35 -23.245 -36.320 16.135 0.00 0.00 WAT1 ATOM 1477 H1 TIP3 35 -23.573 -36.049 15.277 0.00 0.00 WAT1 ATOM 1478 H2 TIP3 35 -23.093 -37.261 16.047 0.00 0.00 WAT1 ATOM 1479 OH2 TIP3 36 -20.101 -37.610 16.774 0.00 0.00 WAT1 ATOM 1480 H1 TIP3 36 -19.148 -37.526 16.746 0.00 0.00 WAT1 ATOM 1481 H2 TIP3 36 -20.261 -38.321 17.393 0.00 0.00 WAT1 ATOM 1482 OH2 TIP3 37 -13.949 -37.376 -1.152 0.00 0.00 WAT1 ATOM 1483 H1 TIP3 37 -14.222 -37.801 -1.965 0.00 0.00 WAT1 ATOM 1484 H2 TIP3 37 -13.909 -36.445 -1.369 0.00 0.00 WAT1 ATOM 1485 OH2 TIP3 38 -22.787 -38.917 12.311 0.00 0.00 WAT1 ATOM 1486 H1 TIP3 38 -22.036 -39.073 11.738 0.00 0.00 WAT1 ATOM 1487 H2 TIP3 38 -23.126 -38.065 12.035 0.00 0.00 WAT1 ATOM 1488 OH2 TIP3 39 -17.055 -38.313 15.417 0.00 0.00 WAT1 ATOM 1489 H1 TIP3 39 -17.336 -37.604 14.839 0.00 0.00 WAT1 ATOM 1490 H2 TIP3 39 -16.112 -38.386 15.266 0.00 0.00 WAT1 ATOM 1491 OH2 TIP3 40 -14.791 -34.764 17.309 0.00 0.00 WAT1 ATOM 1492 H1 TIP3 40 -15.657 -34.869 17.703 0.00 0.00 WAT1 ATOM 1493 H2 TIP3 40 -14.415 -34.005 17.756 0.00 0.00 WAT1 ATOM 1494 OH2 TIP3 41 -13.490 -36.507 2.823 0.00 0.00 WAT1 ATOM 1495 H1 TIP3 41 -12.640 -36.086 2.951 0.00 0.00 WAT1 ATOM 1496 H2 TIP3 41 -13.485 -37.247 3.431 0.00 0.00 WAT1 ATOM 1497 OH2 TIP3 42 -13.096 -38.454 4.647 0.00 0.00 WAT1 ATOM 1498 H1 TIP3 42 -13.822 -38.933 5.045 0.00 0.00 WAT1 ATOM 1499 H2 TIP3 42 -12.515 -38.248 5.379 0.00 0.00 WAT1 ATOM 1500 OH2 TIP3 43 -12.828 -38.553 1.038 0.00 0.00 WAT1 ATOM 1501 H1 TIP3 43 -13.349 -38.196 0.319 0.00 0.00 WAT1 ATOM 1502 H2 TIP3 43 -12.861 -37.878 1.716 0.00 0.00 WAT1 ATOM 1503 OH2 TIP3 44 -15.309 -39.933 5.210 0.00 0.00 WAT1 ATOM 1504 H1 TIP3 44 -15.459 -40.878 5.190 0.00 0.00 WAT1 ATOM 1505 H2 TIP3 44 -15.663 -39.652 6.054 0.00 0.00 WAT1 ATOM 1506 OH2 TIP3 45 -14.453 -37.963 14.849 0.00 0.00 WAT1 ATOM 1507 H1 TIP3 45 -13.870 -38.697 15.040 0.00 0.00 WAT1 ATOM 1508 H2 TIP3 45 -13.889 -37.191 14.895 0.00 0.00 WAT1 ATOM 1509 OH2 TIP3 46 -12.956 -40.060 15.533 0.00 0.00 WAT1 ATOM 1510 H1 TIP3 46 -13.819 -40.439 15.368 0.00 0.00 WAT1 ATOM 1511 H2 TIP3 46 -12.352 -40.799 15.459 0.00 0.00 WAT1 ATOM 1512 OH2 TIP3 47 -14.987 -41.769 9.108 0.00 0.00 WAT1 ATOM 1513 H1 TIP3 47 -14.054 -41.557 9.074 0.00 0.00 WAT1 ATOM 1514 H2 TIP3 47 -15.222 -41.667 10.031 0.00 0.00 WAT1 ATOM 1515 OH2 TIP3 48 -14.958 -41.032 11.884 0.00 0.00 WAT1 ATOM 1516 H1 TIP3 48 -15.801 -40.764 12.250 0.00 0.00 WAT1 ATOM 1517 H2 TIP3 48 -14.515 -40.210 11.673 0.00 0.00 WAT1 ATOM 1518 OH2 TIP3 49 -25.728 -32.127 12.123 0.00 0.00 WAT1 ATOM 1519 H1 TIP3 49 -26.153 -31.318 11.840 0.00 0.00 WAT1 ATOM 1520 H2 TIP3 49 -24.823 -32.042 11.821 0.00 0.00 WAT1 ATOM 1521 OH2 TIP3 50 -21.417 -30.728 15.082 0.00 0.00 WAT1 ATOM 1522 H1 TIP3 50 -21.232 -31.062 15.960 0.00 0.00 WAT1 ATOM 1523 H2 TIP3 50 -20.570 -30.419 14.760 0.00 0.00 WAT1 ATOM 1524 OH2 TIP3 51 -25.859 -29.271 11.200 0.00 0.00 WAT1 ATOM 1525 H1 TIP3 51 -26.724 -29.199 11.604 0.00 0.00 WAT1 ATOM 1526 H2 TIP3 51 -25.914 -28.724 10.416 0.00 0.00 WAT1 ATOM 1527 OH2 TIP3 52 -24.233 -31.068 8.584 0.00 0.00 WAT1 ATOM 1528 H1 TIP3 52 -24.020 -31.956 8.297 0.00 0.00 WAT1 ATOM 1529 H2 TIP3 52 -24.168 -31.102 9.539 0.00 0.00 WAT1 ATOM 1530 OH2 TIP3 53 -19.569 -30.315 26.298 0.00 0.00 WAT1 ATOM 1531 H1 TIP3 53 -18.949 -30.992 26.025 0.00 0.00 WAT1 ATOM 1532 H2 TIP3 53 -19.777 -30.533 27.206 0.00 0.00 WAT1 ATOM 1533 OH2 TIP3 54 -16.168 -33.580 28.434 0.00 0.00 WAT1 ATOM 1534 H1 TIP3 54 -17.110 -33.522 28.595 0.00 0.00 WAT1 ATOM 1535 H2 TIP3 54 -15.892 -32.674 28.297 0.00 0.00 WAT1 ATOM 1536 OH2 TIP3 55 -17.916 -31.799 25.059 0.00 0.00 WAT1 ATOM 1537 H1 TIP3 55 -17.491 -32.506 24.574 0.00 0.00 WAT1 ATOM 1538 H2 TIP3 55 -17.599 -30.998 24.642 0.00 0.00 WAT1 ATOM 1539 OH2 TIP3 56 -16.757 -33.898 23.568 0.00 0.00 WAT1 ATOM 1540 H1 TIP3 56 -17.014 -34.588 22.956 0.00 0.00 WAT1 ATOM 1541 H2 TIP3 56 -16.686 -34.341 24.413 0.00 0.00 WAT1 ATOM 1542 OH2 TIP3 57 -15.071 -35.332 32.045 0.00 0.00 WAT1 ATOM 1543 H1 TIP3 57 -14.931 -35.923 31.306 0.00 0.00 WAT1 ATOM 1544 H2 TIP3 57 -14.903 -34.459 31.689 0.00 0.00 WAT1 ATOM 1545 OH2 TIP3 58 -18.871 -33.258 29.019 0.00 0.00 WAT1 ATOM 1546 H1 TIP3 58 -19.112 -32.596 29.667 0.00 0.00 WAT1 ATOM 1547 H2 TIP3 58 -19.069 -34.092 29.444 0.00 0.00 WAT1 ATOM 1548 OH2 TIP3 59 -13.433 -32.882 18.644 0.00 0.00 WAT1 ATOM 1549 H1 TIP3 59 -13.360 -31.943 18.814 0.00 0.00 WAT1 ATOM 1550 H2 TIP3 59 -12.528 -33.187 18.587 0.00 0.00 WAT1 ATOM 1551 OH2 TIP3 60 -12.516 -32.651 33.622 0.00 0.00 WAT1 ATOM 1552 H1 TIP3 60 -12.565 -33.606 33.585 0.00 0.00 WAT1 ATOM 1553 H2 TIP3 60 -13.342 -32.383 34.024 0.00 0.00 WAT1 ATOM 1554 OH2 TIP3 61 -21.123 -29.305 22.304 0.00 0.00 WAT1 ATOM 1555 H1 TIP3 61 -21.198 -29.426 21.358 0.00 0.00 WAT1 ATOM 1556 H2 TIP3 61 -21.090 -28.355 22.423 0.00 0.00 WAT1 ATOM 1557 OH2 TIP3 62 -18.021 -30.151 19.307 0.00 0.00 WAT1 ATOM 1558 H1 TIP3 62 -17.646 -30.895 18.836 0.00 0.00 WAT1 ATOM 1559 H2 TIP3 62 -18.017 -30.421 20.225 0.00 0.00 WAT1 ATOM 1560 OH2 TIP3 63 -18.352 -30.225 22.056 0.00 0.00 WAT1 ATOM 1561 H1 TIP3 63 -19.287 -30.125 22.235 0.00 0.00 WAT1 ATOM 1562 H2 TIP3 63 -18.072 -30.934 22.634 0.00 0.00 WAT1 ATOM 1563 OH2 TIP3 64 -16.844 -37.965 18.084 0.00 0.00 WAT1 ATOM 1564 H1 TIP3 64 -16.802 -38.188 17.154 0.00 0.00 WAT1 ATOM 1565 H2 TIP3 64 -15.995 -37.567 18.274 0.00 0.00 WAT1 ATOM 1566 OH2 TIP3 65 -15.234 -28.783 34.729 0.00 0.00 WAT1 ATOM 1567 H1 TIP3 65 -15.034 -28.359 33.894 0.00 0.00 WAT1 ATOM 1568 H2 TIP3 65 -14.578 -28.440 35.336 0.00 0.00 WAT1 ATOM 1569 OH2 TIP3 66 -18.666 -33.655 32.361 0.00 0.00 WAT1 ATOM 1570 H1 TIP3 66 -19.567 -33.472 32.093 0.00 0.00 WAT1 ATOM 1571 H2 TIP3 66 -18.632 -33.396 33.282 0.00 0.00 WAT1 ATOM 1572 OH2 TIP3 67 -14.639 -32.624 21.193 0.00 0.00 WAT1 ATOM 1573 H1 TIP3 67 -15.012 -33.450 21.503 0.00 0.00 WAT1 ATOM 1574 H2 TIP3 67 -14.362 -32.807 20.296 0.00 0.00 WAT1 ATOM 1575 OH2 TIP3 68 -17.247 -34.648 19.014 0.00 0.00 WAT1 ATOM 1576 H1 TIP3 68 -16.894 -35.028 19.818 0.00 0.00 WAT1 ATOM 1577 H2 TIP3 68 -18.196 -34.741 19.100 0.00 0.00 WAT1 ATOM 1578 OH2 TIP3 69 -16.791 -31.025 32.409 0.00 0.00 WAT1 ATOM 1579 H1 TIP3 69 -17.393 -31.580 31.914 0.00 0.00 WAT1 ATOM 1580 H2 TIP3 69 -16.510 -30.358 31.783 0.00 0.00 WAT1 ATOM 1581 OH2 TIP3 70 -16.381 -35.975 21.240 0.00 0.00 WAT1 ATOM 1582 H1 TIP3 70 -16.658 -36.703 21.796 0.00 0.00 WAT1 ATOM 1583 H2 TIP3 70 -15.454 -35.856 21.446 0.00 0.00 WAT1 ATOM 1584 OH2 TIP3 71 -23.156 -33.536 17.461 0.00 0.00 WAT1 ATOM 1585 H1 TIP3 71 -22.917 -34.284 16.913 0.00 0.00 WAT1 ATOM 1586 H2 TIP3 71 -23.425 -33.924 18.293 0.00 0.00 WAT1 ATOM 1587 OH2 TIP3 72 -21.118 -31.673 17.599 0.00 0.00 WAT1 ATOM 1588 H1 TIP3 72 -21.762 -32.304 17.921 0.00 0.00 WAT1 ATOM 1589 H2 TIP3 72 -20.356 -32.204 17.367 0.00 0.00 WAT1 ATOM 1590 OH2 TIP3 73 -16.514 -31.856 17.833 0.00 0.00 WAT1 ATOM 1591 H1 TIP3 73 -16.231 -32.650 18.286 0.00 0.00 WAT1 ATOM 1592 H2 TIP3 73 -15.774 -31.623 17.272 0.00 0.00 WAT1 ATOM 1593 OH2 TIP3 74 -20.207 -34.899 17.426 0.00 0.00 WAT1 ATOM 1594 H1 TIP3 74 -20.475 -34.719 18.327 0.00 0.00 WAT1 ATOM 1595 H2 TIP3 74 -20.413 -35.825 17.295 0.00 0.00 WAT1 ATOM 1596 OH2 TIP3 75 -13.949 -37.376 17.704 0.00 0.00 WAT1 ATOM 1597 H1 TIP3 75 -14.222 -37.801 16.891 0.00 0.00 WAT1 ATOM 1598 H2 TIP3 75 -13.909 -36.445 17.487 0.00 0.00 WAT1 ATOM 1599 OH2 TIP3 76 -23.441 -29.040 19.260 0.00 0.00 WAT1 ATOM 1600 H1 TIP3 76 -22.508 -28.882 19.404 0.00 0.00 WAT1 ATOM 1601 H2 TIP3 76 -23.705 -28.365 18.635 0.00 0.00 WAT1 ATOM 1602 OH2 TIP3 77 -13.490 -36.507 21.679 0.00 0.00 WAT1 ATOM 1603 H1 TIP3 77 -12.640 -36.086 21.807 0.00 0.00 WAT1 ATOM 1604 H2 TIP3 77 -13.485 -37.247 22.287 0.00 0.00 WAT1 ATOM 1605 OH2 TIP3 78 -13.337 -35.669 28.451 0.00 0.00 WAT1 ATOM 1606 H1 TIP3 78 -12.503 -36.047 28.170 0.00 0.00 WAT1 ATOM 1607 H2 TIP3 78 -13.225 -34.726 28.332 0.00 0.00 WAT1 ATOM 1608 OH2 TIP3 79 -14.850 -32.791 30.758 0.00 0.00 WAT1 ATOM 1609 H1 TIP3 79 -15.498 -32.466 31.383 0.00 0.00 WAT1 ATOM 1610 H2 TIP3 79 -15.368 -33.231 30.083 0.00 0.00 WAT1 ATOM 1611 OH2 TIP3 80 -16.067 -30.031 24.177 0.00 0.00 WAT1 ATOM 1612 H1 TIP3 80 -15.414 -30.378 23.569 0.00 0.00 WAT1 ATOM 1613 H2 TIP3 80 -15.556 -29.542 24.823 0.00 0.00 WAT1 ATOM 1614 OH2 TIP3 81 -19.072 -29.443 33.182 0.00 0.00 WAT1 ATOM 1615 H1 TIP3 81 -18.395 -30.075 32.942 0.00 0.00 WAT1 ATOM 1616 H2 TIP3 81 -18.750 -29.041 33.990 0.00 0.00 WAT1 ATOM 1617 OH2 TIP3 82 -21.148 -29.383 29.232 0.00 0.00 WAT1 ATOM 1618 H1 TIP3 82 -21.605 -28.854 28.578 0.00 0.00 WAT1 ATOM 1619 H2 TIP3 82 -20.985 -28.780 29.957 0.00 0.00 WAT1 ATOM 1620 OH2 TIP3 83 -18.821 -30.505 30.177 0.00 0.00 WAT1 ATOM 1621 H1 TIP3 83 -19.725 -30.340 29.911 0.00 0.00 WAT1 ATOM 1622 H2 TIP3 83 -18.392 -29.652 30.111 0.00 0.00 WAT1 ATOM 1623 OH2 TIP3 84 -20.796 -29.814 19.505 0.00 0.00 WAT1 ATOM 1624 H1 TIP3 84 -19.930 -29.448 19.327 0.00 0.00 WAT1 ATOM 1625 H2 TIP3 84 -21.043 -30.254 18.692 0.00 0.00 WAT1 ATOM 1626 OH2 TIP3 85 -14.869 -31.500 34.335 0.00 0.00 WAT1 ATOM 1627 H1 TIP3 85 -15.651 -31.686 33.815 0.00 0.00 WAT1 ATOM 1628 H2 TIP3 85 -14.941 -30.571 34.552 0.00 0.00 WAT1 ATOM 1629 OH2 TIP3 86 -12.743 -30.168 38.071 0.00 0.00 WAT1 ATOM 1630 H1 TIP3 86 -12.000 -29.582 37.931 0.00 0.00 WAT1 ATOM 1631 H2 TIP3 86 -13.438 -29.600 38.404 0.00 0.00 WAT1 ATOM 1632 OH2 TIP3 87 -16.067 -30.031 43.033 0.00 0.00 WAT1 ATOM 1633 H1 TIP3 87 -15.414 -30.378 42.425 0.00 0.00 WAT1 ATOM 1634 H2 TIP3 87 -15.556 -29.542 43.679 0.00 0.00 WAT1 ATOM 1635 OH2 TIP3 88 -14.087 -30.251 41.041 0.00 0.00 WAT1 ATOM 1636 H1 TIP3 88 -14.281 -30.999 40.476 0.00 0.00 WAT1 ATOM 1637 H2 TIP3 88 -14.126 -29.493 40.457 0.00 0.00 WAT1 ATOM 1638 OH2 TIP3 89 -12.942 -23.991 -6.425 0.00 0.00 WAT1 ATOM 1639 H1 TIP3 89 -13.631 -23.333 -6.520 0.00 0.00 WAT1 ATOM 1640 H2 TIP3 89 -12.927 -24.188 -5.488 0.00 0.00 WAT1 ATOM 1641 OH2 TIP3 90 -15.071 -16.476 -5.667 0.00 0.00 WAT1 ATOM 1642 H1 TIP3 90 -14.931 -17.067 -6.406 0.00 0.00 WAT1 ATOM 1643 H2 TIP3 90 -14.903 -15.603 -6.023 0.00 0.00 WAT1 ATOM 1644 OH2 TIP3 91 -13.229 -20.136 -7.601 0.00 0.00 WAT1 ATOM 1645 H1 TIP3 91 -13.881 -19.441 -7.512 0.00 0.00 WAT1 ATOM 1646 H2 TIP3 91 -12.764 -19.926 -8.411 0.00 0.00 WAT1 ATOM 1647 OH2 TIP3 92 -12.516 -13.795 -4.090 0.00 0.00 WAT1 ATOM 1648 H1 TIP3 92 -12.565 -14.750 -4.127 0.00 0.00 WAT1 ATOM 1649 H2 TIP3 92 -13.342 -13.527 -3.688 0.00 0.00 WAT1 ATOM 1650 OH2 TIP3 93 -15.364 -22.302 -3.610 0.00 0.00 WAT1 ATOM 1651 H1 TIP3 93 -15.771 -21.821 -4.330 0.00 0.00 WAT1 ATOM 1652 H2 TIP3 93 -15.323 -23.207 -3.917 0.00 0.00 WAT1 ATOM 1653 OH2 TIP3 94 -15.234 -9.927 -2.983 0.00 0.00 WAT1 ATOM 1654 H1 TIP3 94 -15.034 -9.503 -3.818 0.00 0.00 WAT1 ATOM 1655 H2 TIP3 94 -14.578 -9.584 -2.376 0.00 0.00 WAT1 ATOM 1656 OH2 TIP3 95 -15.286 -18.312 -7.752 0.00 0.00 WAT1 ATOM 1657 H1 TIP3 95 -14.644 -17.855 -8.295 0.00 0.00 WAT1 ATOM 1658 H2 TIP3 95 -16.116 -18.199 -8.214 0.00 0.00 WAT1 ATOM 1659 OH2 TIP3 96 -17.510 -17.548 -5.338 0.00 0.00 WAT1 ATOM 1660 H1 TIP3 96 -16.765 -16.960 -5.458 0.00 0.00 WAT1 ATOM 1661 H2 TIP3 96 -18.267 -16.966 -5.275 0.00 0.00 WAT1 ATOM 1662 OH2 TIP3 97 -17.055 -19.457 -3.439 0.00 0.00 WAT1 ATOM 1663 H1 TIP3 97 -17.336 -18.748 -4.017 0.00 0.00 WAT1 ATOM 1664 H2 TIP3 97 -16.112 -19.530 -3.590 0.00 0.00 WAT1 ATOM 1665 OH2 TIP3 98 -13.242 -11.698 -6.185 0.00 0.00 WAT1 ATOM 1666 H1 TIP3 98 -13.729 -12.433 -6.556 0.00 0.00 WAT1 ATOM 1667 H2 TIP3 98 -12.693 -12.091 -5.507 0.00 0.00 WAT1 ATOM 1668 OH2 TIP3 99 -14.791 -15.908 -1.547 0.00 0.00 WAT1 ATOM 1669 H1 TIP3 99 -15.657 -16.013 -1.153 0.00 0.00 WAT1 ATOM 1670 H2 TIP3 99 -14.415 -15.149 -1.100 0.00 0.00 WAT1 ATOM 1671 OH2 TIP3 100 -13.337 -16.813 -9.261 0.00 0.00 WAT1 ATOM 1672 H1 TIP3 100 -12.503 -17.191 -9.542 0.00 0.00 WAT1 ATOM 1673 H2 TIP3 100 -13.225 -15.870 -9.380 0.00 0.00 WAT1 ATOM 1674 OH2 TIP3 101 -14.850 -13.935 -6.954 0.00 0.00 WAT1 ATOM 1675 H1 TIP3 101 -15.498 -13.610 -6.329 0.00 0.00 WAT1 ATOM 1676 H2 TIP3 101 -15.368 -14.375 -7.629 0.00 0.00 WAT1 ATOM 1677 OH2 TIP3 102 -14.453 -19.107 -4.007 0.00 0.00 WAT1 ATOM 1678 H1 TIP3 102 -13.870 -19.841 -3.816 0.00 0.00 WAT1 ATOM 1679 H2 TIP3 102 -13.889 -18.335 -3.961 0.00 0.00 WAT1 ATOM 1680 OH2 TIP3 103 -12.956 -21.204 -3.323 0.00 0.00 WAT1 ATOM 1681 H1 TIP3 103 -13.819 -21.583 -3.488 0.00 0.00 WAT1 ATOM 1682 H2 TIP3 103 -12.352 -21.943 -3.397 0.00 0.00 WAT1 ATOM 1683 OH2 TIP3 104 -14.958 -22.176 -6.972 0.00 0.00 WAT1 ATOM 1684 H1 TIP3 104 -15.801 -21.908 -6.606 0.00 0.00 WAT1 ATOM 1685 H2 TIP3 104 -14.515 -21.354 -7.183 0.00 0.00 WAT1 ATOM 1686 OH2 TIP3 105 -12.675 -28.196 -1.618 0.00 0.00 WAT1 ATOM 1687 H1 TIP3 105 -12.325 -28.850 -2.224 0.00 0.00 WAT1 ATOM 1688 H2 TIP3 105 -12.528 -27.359 -2.058 0.00 0.00 WAT1 ATOM 1689 OH2 TIP3 106 -13.155 -26.087 -3.269 0.00 0.00 WAT1 ATOM 1690 H1 TIP3 106 -14.072 -25.816 -3.305 0.00 0.00 WAT1 ATOM 1691 H2 TIP3 106 -13.032 -26.622 -4.053 0.00 0.00 WAT1 ATOM 1692 OH2 TIP3 107 -14.869 -12.644 -3.377 0.00 0.00 WAT1 ATOM 1693 H1 TIP3 107 -15.651 -12.830 -3.897 0.00 0.00 WAT1 ATOM 1694 H2 TIP3 107 -14.941 -11.715 -3.160 0.00 0.00 WAT1 ATOM 1695 OH2 TIP3 108 -19.319 -18.758 5.509 0.00 0.00 WAT1 ATOM 1696 H1 TIP3 108 -19.230 -17.814 5.377 0.00 0.00 WAT1 ATOM 1697 H2 TIP3 108 -19.958 -19.033 4.851 0.00 0.00 WAT1 ATOM 1698 OH2 TIP3 109 -20.386 -19.503 8.928 0.00 0.00 WAT1 ATOM 1699 H1 TIP3 109 -20.424 -20.149 9.633 0.00 0.00 WAT1 ATOM 1700 H2 TIP3 109 -20.709 -19.969 8.157 0.00 0.00 WAT1 ATOM 1701 OH2 TIP3 110 -16.680 -16.564 7.230 0.00 0.00 WAT1 ATOM 1702 H1 TIP3 110 -17.121 -17.284 7.680 0.00 0.00 WAT1 ATOM 1703 H2 TIP3 110 -16.693 -15.843 7.860 0.00 0.00 WAT1 ATOM 1704 OH2 TIP3 111 -19.569 -11.459 7.442 0.00 0.00 WAT1 ATOM 1705 H1 TIP3 111 -18.949 -12.136 7.169 0.00 0.00 WAT1 ATOM 1706 H2 TIP3 111 -19.777 -11.677 8.350 0.00 0.00 WAT1 ATOM 1707 OH2 TIP3 112 -25.701 -24.575 6.934 0.00 0.00 WAT1 ATOM 1708 H1 TIP3 112 -25.658 -23.715 6.516 0.00 0.00 WAT1 ATOM 1709 H2 TIP3 112 -26.159 -25.127 6.301 0.00 0.00 WAT1 ATOM 1710 OH2 TIP3 113 -17.979 -24.444 5.335 0.00 0.00 WAT1 ATOM 1711 H1 TIP3 113 -17.333 -24.773 5.960 0.00 0.00 WAT1 ATOM 1712 H2 TIP3 113 -17.469 -23.926 4.712 0.00 0.00 WAT1 ATOM 1713 OH2 TIP3 114 -23.925 -20.628 6.912 0.00 0.00 WAT1 ATOM 1714 H1 TIP3 114 -23.309 -21.154 7.421 0.00 0.00 WAT1 ATOM 1715 H2 TIP3 114 -24.511 -21.268 6.508 0.00 0.00 WAT1 ATOM 1716 OH2 TIP3 115 -26.891 -25.657 11.008 0.00 0.00 WAT1 ATOM 1717 H1 TIP3 115 -27.110 -25.127 10.242 0.00 0.00 WAT1 ATOM 1718 H2 TIP3 115 -27.559 -25.430 11.656 0.00 0.00 WAT1 ATOM 1719 OH2 TIP3 116 -27.297 -23.765 8.961 0.00 0.00 WAT1 ATOM 1720 H1 TIP3 116 -26.684 -23.132 9.334 0.00 0.00 WAT1 ATOM 1721 H2 TIP3 116 -26.785 -24.237 8.304 0.00 0.00 WAT1 ATOM 1722 OH2 TIP3 117 -22.865 -28.351 8.461 0.00 0.00 WAT1 ATOM 1723 H1 TIP3 117 -22.982 -29.300 8.407 0.00 0.00 WAT1 ATOM 1724 H2 TIP3 117 -23.720 -28.019 8.734 0.00 0.00 WAT1 ATOM 1725 OH2 TIP3 118 -17.916 -12.943 6.203 0.00 0.00 WAT1 ATOM 1726 H1 TIP3 118 -17.491 -13.650 5.718 0.00 0.00 WAT1 ATOM 1727 H2 TIP3 118 -17.599 -12.142 5.786 0.00 0.00 WAT1 ATOM 1728 OH2 TIP3 119 -16.757 -15.042 4.712 0.00 0.00 WAT1 ATOM 1729 H1 TIP3 119 -17.014 -15.732 4.100 0.00 0.00 WAT1 ATOM 1730 H2 TIP3 119 -16.686 -15.485 5.557 0.00 0.00 WAT1 ATOM 1731 OH2 TIP3 120 -17.192 -19.304 3.913 0.00 0.00 WAT1 ATOM 1732 H1 TIP3 120 -17.924 -19.076 4.486 0.00 0.00 WAT1 ATOM 1733 H2 TIP3 120 -16.745 -20.018 4.368 0.00 0.00 WAT1 ATOM 1734 OH2 TIP3 121 -25.180 -19.905 9.429 0.00 0.00 WAT1 ATOM 1735 H1 TIP3 121 -24.615 -19.784 8.666 0.00 0.00 WAT1 ATOM 1736 H2 TIP3 121 -24.861 -19.268 10.068 0.00 0.00 WAT1 ATOM 1737 OH2 TIP3 122 -18.871 -14.402 10.163 0.00 0.00 WAT1 ATOM 1738 H1 TIP3 122 -19.112 -13.740 10.811 0.00 0.00 WAT1 ATOM 1739 H2 TIP3 122 -19.069 -15.236 10.588 0.00 0.00 WAT1 ATOM 1740 OH2 TIP3 123 -14.623 -28.392 1.411 0.00 0.00 WAT1 ATOM 1741 H1 TIP3 123 -15.522 -28.253 1.706 0.00 0.00 WAT1 ATOM 1742 H2 TIP3 123 -14.371 -27.561 1.009 0.00 0.00 WAT1 ATOM 1743 OH2 TIP3 124 -18.021 -11.295 0.451 0.00 0.00 WAT1 ATOM 1744 H1 TIP3 124 -17.646 -12.039 -0.020 0.00 0.00 WAT1 ATOM 1745 H2 TIP3 124 -18.017 -11.565 1.369 0.00 0.00 WAT1 ATOM 1746 OH2 TIP3 125 -25.596 -27.448 9.239 0.00 0.00 WAT1 ATOM 1747 H1 TIP3 125 -26.457 -27.535 8.831 0.00 0.00 WAT1 ATOM 1748 H2 TIP3 125 -25.618 -26.592 9.666 0.00 0.00 WAT1 ATOM 1749 OH2 TIP3 126 -16.844 -19.109 -0.772 0.00 0.00 WAT1 ATOM 1750 H1 TIP3 126 -16.802 -19.332 -1.702 0.00 0.00 WAT1 ATOM 1751 H2 TIP3 126 -15.995 -18.711 -0.582 0.00 0.00 WAT1 ATOM 1752 OH2 TIP3 127 -25.505 -22.482 10.334 0.00 0.00 WAT1 ATOM 1753 H1 TIP3 127 -26.147 -22.523 11.043 0.00 0.00 WAT1 ATOM 1754 H2 TIP3 127 -25.468 -21.556 10.096 0.00 0.00 WAT1 ATOM 1755 OH2 TIP3 128 -20.870 -21.670 15.551 0.00 0.00 WAT1 ATOM 1756 H1 TIP3 128 -21.433 -22.374 15.871 0.00 0.00 WAT1 ATOM 1757 H2 TIP3 128 -20.044 -21.790 16.018 0.00 0.00 WAT1 ATOM 1758 OH2 TIP3 129 -18.968 -22.399 6.877 0.00 0.00 WAT1 ATOM 1759 H1 TIP3 129 -19.163 -21.794 6.162 0.00 0.00 WAT1 ATOM 1760 H2 TIP3 129 -18.786 -23.233 6.442 0.00 0.00 WAT1 ATOM 1761 OH2 TIP3 130 -19.704 -20.761 11.548 0.00 0.00 WAT1 ATOM 1762 H1 TIP3 130 -19.380 -21.392 10.905 0.00 0.00 WAT1 ATOM 1763 H2 TIP3 130 -20.144 -21.296 12.209 0.00 0.00 WAT1 ATOM 1764 OH2 TIP3 131 -22.926 -24.834 6.332 0.00 0.00 WAT1 ATOM 1765 H1 TIP3 131 -23.837 -24.777 6.621 0.00 0.00 WAT1 ATOM 1766 H2 TIP3 131 -22.421 -24.894 7.143 0.00 0.00 WAT1 ATOM 1767 OH2 TIP3 132 -15.234 -9.927 15.873 0.00 0.00 WAT1 ATOM 1768 H1 TIP3 132 -15.034 -9.503 15.038 0.00 0.00 WAT1 ATOM 1769 H2 TIP3 132 -14.578 -9.584 16.480 0.00 0.00 WAT1 ATOM 1770 OH2 TIP3 133 -21.606 -22.046 8.219 0.00 0.00 WAT1 ATOM 1771 H1 TIP3 133 -21.042 -22.593 7.672 0.00 0.00 WAT1 ATOM 1772 H2 TIP3 133 -21.754 -22.568 9.008 0.00 0.00 WAT1 ATOM 1773 OH2 TIP3 134 -20.916 -17.261 13.555 0.00 0.00 WAT1 ATOM 1774 H1 TIP3 134 -21.262 -17.642 14.361 0.00 0.00 WAT1 ATOM 1775 H2 TIP3 134 -21.116 -16.327 13.626 0.00 0.00 WAT1 ATOM 1776 OH2 TIP3 135 -17.820 -22.764 2.178 0.00 0.00 WAT1 ATOM 1777 H1 TIP3 135 -16.928 -22.901 2.497 0.00 0.00 WAT1 ATOM 1778 H2 TIP3 135 -17.763 -21.973 1.641 0.00 0.00 WAT1 ATOM 1779 OH2 TIP3 136 -23.286 -20.172 15.615 0.00 0.00 WAT1 ATOM 1780 H1 TIP3 136 -23.582 -20.338 14.720 0.00 0.00 WAT1 ATOM 1781 H2 TIP3 136 -22.355 -20.392 15.605 0.00 0.00 WAT1 ATOM 1782 OH2 TIP3 137 -18.666 -14.799 13.505 0.00 0.00 WAT1 ATOM 1783 H1 TIP3 137 -19.567 -14.616 13.237 0.00 0.00 WAT1 ATOM 1784 H2 TIP3 137 -18.632 -14.540 14.426 0.00 0.00 WAT1 ATOM 1785 OH2 TIP3 138 -14.639 -13.768 2.337 0.00 0.00 WAT1 ATOM 1786 H1 TIP3 138 -15.012 -14.594 2.647 0.00 0.00 WAT1 ATOM 1787 H2 TIP3 138 -14.362 -13.951 1.440 0.00 0.00 WAT1 ATOM 1788 OH2 TIP3 139 -19.450 -16.721 11.084 0.00 0.00 WAT1 ATOM 1789 H1 TIP3 139 -19.876 -16.948 11.910 0.00 0.00 WAT1 ATOM 1790 H2 TIP3 139 -18.869 -17.459 10.901 0.00 0.00 WAT1 ATOM 1791 OH2 TIP3 140 -17.247 -15.792 0.158 0.00 0.00 WAT1 ATOM 1792 H1 TIP3 140 -16.894 -16.172 0.962 0.00 0.00 WAT1 ATOM 1793 H2 TIP3 140 -18.196 -15.885 0.244 0.00 0.00 WAT1 ATOM 1794 OH2 TIP3 141 -16.791 -12.169 13.553 0.00 0.00 WAT1 ATOM 1795 H1 TIP3 141 -17.393 -12.724 13.058 0.00 0.00 WAT1 ATOM 1796 H2 TIP3 141 -16.510 -11.502 12.927 0.00 0.00 WAT1 ATOM 1797 OH2 TIP3 142 -16.381 -17.119 2.384 0.00 0.00 WAT1 ATOM 1798 H1 TIP3 142 -16.658 -17.847 2.940 0.00 0.00 WAT1 ATOM 1799 H2 TIP3 142 -15.454 -17.000 2.590 0.00 0.00 WAT1 ATOM 1800 OH2 TIP3 143 -19.150 -25.543 2.947 0.00 0.00 WAT1 ATOM 1801 H1 TIP3 143 -18.930 -25.071 2.144 0.00 0.00 WAT1 ATOM 1802 H2 TIP3 143 -18.592 -25.148 3.618 0.00 0.00 WAT1 ATOM 1803 OH2 TIP3 144 -21.066 -26.734 4.720 0.00 0.00 WAT1 ATOM 1804 H1 TIP3 144 -21.413 -26.116 5.365 0.00 0.00 WAT1 ATOM 1805 H2 TIP3 144 -20.408 -26.233 4.239 0.00 0.00 WAT1 ATOM 1806 OH2 TIP3 145 -18.633 -13.945 16.097 0.00 0.00 WAT1 ATOM 1807 H1 TIP3 145 -18.984 -14.801 16.340 0.00 0.00 WAT1 ATOM 1808 H2 TIP3 145 -17.907 -13.802 16.704 0.00 0.00 WAT1 ATOM 1809 OH2 TIP3 146 -16.514 -13.000 -1.023 0.00 0.00 WAT1 ATOM 1810 H1 TIP3 146 -16.231 -13.794 -0.570 0.00 0.00 WAT1 ATOM 1811 H2 TIP3 146 -15.774 -12.767 -1.584 0.00 0.00 WAT1 ATOM 1812 OH2 TIP3 147 -17.510 -17.548 13.518 0.00 0.00 WAT1 ATOM 1813 H1 TIP3 147 -16.765 -16.960 13.398 0.00 0.00 WAT1 ATOM 1814 H2 TIP3 147 -18.267 -16.966 13.581 0.00 0.00 WAT1 ATOM 1815 OH2 TIP3 148 -25.121 -21.225 13.496 0.00 0.00 WAT1 ATOM 1816 H1 TIP3 148 -25.739 -20.550 13.777 0.00 0.00 WAT1 ATOM 1817 H2 TIP3 148 -24.777 -20.904 12.663 0.00 0.00 WAT1 ATOM 1818 OH2 TIP3 149 -20.101 -18.754 16.774 0.00 0.00 WAT1 ATOM 1819 H1 TIP3 149 -19.148 -18.670 16.746 0.00 0.00 WAT1 ATOM 1820 H2 TIP3 149 -20.261 -19.465 17.393 0.00 0.00 WAT1 ATOM 1821 OH2 TIP3 150 -13.949 -18.520 -1.152 0.00 0.00 WAT1 ATOM 1822 H1 TIP3 150 -14.222 -18.945 -1.965 0.00 0.00 WAT1 ATOM 1823 H2 TIP3 150 -13.909 -17.589 -1.369 0.00 0.00 WAT1 ATOM 1824 OH2 TIP3 151 -24.781 -23.870 14.579 0.00 0.00 WAT1 ATOM 1825 H1 TIP3 151 -24.631 -24.599 13.976 0.00 0.00 WAT1 ATOM 1826 H2 TIP3 151 -24.779 -23.093 14.020 0.00 0.00 WAT1 ATOM 1827 OH2 TIP3 152 -24.369 -25.500 12.071 0.00 0.00 WAT1 ATOM 1828 H1 TIP3 152 -23.833 -25.049 11.419 0.00 0.00 WAT1 ATOM 1829 H2 TIP3 152 -25.221 -25.608 11.649 0.00 0.00 WAT1 ATOM 1830 OH2 TIP3 153 -22.787 -20.061 12.311 0.00 0.00 WAT1 ATOM 1831 H1 TIP3 153 -22.036 -20.217 11.738 0.00 0.00 WAT1 ATOM 1832 H2 TIP3 153 -23.126 -19.209 12.035 0.00 0.00 WAT1 ATOM 1833 OH2 TIP3 154 -18.371 -22.246 17.339 0.00 0.00 WAT1 ATOM 1834 H1 TIP3 154 -18.179 -23.177 17.228 0.00 0.00 WAT1 ATOM 1835 H2 TIP3 154 -17.514 -21.821 17.329 0.00 0.00 WAT1 ATOM 1836 OH2 TIP3 155 -17.055 -19.457 15.417 0.00 0.00 WAT1 ATOM 1837 H1 TIP3 155 -17.336 -18.748 14.839 0.00 0.00 WAT1 ATOM 1838 H2 TIP3 155 -16.112 -19.530 15.266 0.00 0.00 WAT1 ATOM 1839 OH2 TIP3 156 -22.299 -23.722 16.066 0.00 0.00 WAT1 ATOM 1840 H1 TIP3 156 -22.535 -23.942 16.968 0.00 0.00 WAT1 ATOM 1841 H2 TIP3 156 -23.082 -23.929 15.557 0.00 0.00 WAT1 ATOM 1842 OH2 TIP3 157 -23.341 -28.750 15.174 0.00 0.00 WAT1 ATOM 1843 H1 TIP3 157 -22.629 -29.390 15.160 0.00 0.00 WAT1 ATOM 1844 H2 TIP3 157 -23.442 -28.483 14.260 0.00 0.00 WAT1 ATOM 1845 OH2 TIP3 158 -22.988 -27.067 17.228 0.00 0.00 WAT1 ATOM 1846 H1 TIP3 158 -23.119 -27.543 16.407 0.00 0.00 WAT1 ATOM 1847 H2 TIP3 158 -23.587 -26.323 17.172 0.00 0.00 WAT1 ATOM 1848 OH2 TIP3 159 -14.791 -15.908 17.309 0.00 0.00 WAT1 ATOM 1849 H1 TIP3 159 -15.657 -16.013 17.703 0.00 0.00 WAT1 ATOM 1850 H2 TIP3 159 -14.415 -15.149 17.756 0.00 0.00 WAT1 ATOM 1851 OH2 TIP3 160 -12.828 -19.697 1.038 0.00 0.00 WAT1 ATOM 1852 H1 TIP3 160 -13.349 -19.340 0.319 0.00 0.00 WAT1 ATOM 1853 H2 TIP3 160 -12.861 -19.022 1.716 0.00 0.00 WAT1 ATOM 1854 OH2 TIP3 161 -14.479 -22.457 -0.411 0.00 0.00 WAT1 ATOM 1855 H1 TIP3 161 -14.382 -21.790 -1.091 0.00 0.00 WAT1 ATOM 1856 H2 TIP3 161 -14.619 -23.273 -0.893 0.00 0.00 WAT1 ATOM 1857 OH2 TIP3 162 -15.309 -21.077 5.210 0.00 0.00 WAT1 ATOM 1858 H1 TIP3 162 -15.459 -22.022 5.190 0.00 0.00 WAT1 ATOM 1859 H2 TIP3 162 -15.663 -20.796 6.054 0.00 0.00 WAT1 ATOM 1860 OH2 TIP3 163 -15.231 -25.049 -1.294 0.00 0.00 WAT1 ATOM 1861 H1 TIP3 163 -14.621 -25.421 -0.657 0.00 0.00 WAT1 ATOM 1862 H2 TIP3 163 -16.068 -25.471 -1.098 0.00 0.00 WAT1 ATOM 1863 OH2 TIP3 164 -15.599 -23.494 3.672 0.00 0.00 WAT1 ATOM 1864 H1 TIP3 164 -15.319 -24.401 3.797 0.00 0.00 WAT1 ATOM 1865 H2 TIP3 164 -14.840 -23.060 3.283 0.00 0.00 WAT1 ATOM 1866 OH2 TIP3 165 -14.985 -26.231 3.721 0.00 0.00 WAT1 ATOM 1867 H1 TIP3 165 -14.803 -26.680 4.546 0.00 0.00 WAT1 ATOM 1868 H2 TIP3 165 -15.585 -26.816 3.257 0.00 0.00 WAT1 ATOM 1869 OH2 TIP3 166 -13.119 -26.164 0.249 0.00 0.00 WAT1 ATOM 1870 H1 TIP3 166 -12.706 -26.885 -0.227 0.00 0.00 WAT1 ATOM 1871 H2 TIP3 166 -12.437 -25.494 0.307 0.00 0.00 WAT1 ATOM 1872 OH2 TIP3 167 -16.067 -11.175 5.321 0.00 0.00 WAT1 ATOM 1873 H1 TIP3 167 -15.414 -11.522 4.713 0.00 0.00 WAT1 ATOM 1874 H2 TIP3 167 -15.556 -10.686 5.967 0.00 0.00 WAT1 ATOM 1875 OH2 TIP3 168 -19.072 -10.587 14.326 0.00 0.00 WAT1 ATOM 1876 H1 TIP3 168 -18.395 -11.219 14.086 0.00 0.00 WAT1 ATOM 1877 H2 TIP3 168 -18.750 -10.185 15.134 0.00 0.00 WAT1 ATOM 1878 OH2 TIP3 169 -18.821 -11.649 11.321 0.00 0.00 WAT1 ATOM 1879 H1 TIP3 169 -19.725 -11.484 11.055 0.00 0.00 WAT1 ATOM 1880 H2 TIP3 169 -18.392 -10.796 11.255 0.00 0.00 WAT1 ATOM 1881 OH2 TIP3 170 -16.216 -10.079 11.616 0.00 0.00 WAT1 ATOM 1882 H1 TIP3 170 -16.398 -9.163 11.405 0.00 0.00 WAT1 ATOM 1883 H2 TIP3 170 -16.040 -10.489 10.769 0.00 0.00 WAT1 ATOM 1884 OH2 TIP3 171 -20.724 -26.548 7.729 0.00 0.00 WAT1 ATOM 1885 H1 TIP3 171 -21.399 -27.177 7.984 0.00 0.00 WAT1 ATOM 1886 H2 TIP3 171 -20.160 -27.032 7.126 0.00 0.00 WAT1 ATOM 1887 OH2 TIP3 172 -23.818 -27.987 5.364 0.00 0.00 WAT1 ATOM 1888 H1 TIP3 172 -22.944 -27.599 5.334 0.00 0.00 WAT1 ATOM 1889 H2 TIP3 172 -23.954 -28.202 6.287 0.00 0.00 WAT1 ATOM 1890 OH2 TIP3 173 -16.908 -27.931 2.706 0.00 0.00 WAT1 ATOM 1891 H1 TIP3 173 -17.611 -27.317 2.496 0.00 0.00 WAT1 ATOM 1892 H2 TIP3 173 -17.353 -28.769 2.837 0.00 0.00 WAT1 ATOM 1893 OH2 TIP3 174 -14.087 -11.395 3.329 0.00 0.00 WAT1 ATOM 1894 H1 TIP3 174 -14.281 -12.143 2.764 0.00 0.00 WAT1 ATOM 1895 H2 TIP3 174 -14.126 -10.637 2.745 0.00 0.00 WAT1 ATOM 1896 OH2 TIP3 175 -26.467 -28.049 16.604 0.00 0.00 WAT1 ATOM 1897 H1 TIP3 175 -25.568 -28.323 16.419 0.00 0.00 WAT1 ATOM 1898 H2 TIP3 175 -26.853 -28.792 17.068 0.00 0.00 WAT1 ATOM 1899 OH2 TIP3 176 -19.319 -18.758 24.365 0.00 0.00 WAT1 ATOM 1900 H1 TIP3 176 -19.230 -17.814 24.233 0.00 0.00 WAT1 ATOM 1901 H2 TIP3 176 -19.958 -19.033 23.707 0.00 0.00 WAT1 ATOM 1902 OH2 TIP3 177 -20.386 -19.503 27.784 0.00 0.00 WAT1 ATOM 1903 H1 TIP3 177 -20.424 -20.149 28.489 0.00 0.00 WAT1 ATOM 1904 H2 TIP3 177 -20.709 -19.969 27.013 0.00 0.00 WAT1 ATOM 1905 OH2 TIP3 178 -18.856 -22.676 28.518 0.00 0.00 WAT1 ATOM 1906 H1 TIP3 178 -18.713 -23.623 28.538 0.00 0.00 WAT1 ATOM 1907 H2 TIP3 178 -18.962 -22.469 27.589 0.00 0.00 WAT1 ATOM 1908 OH2 TIP3 179 -17.979 -24.444 24.191 0.00 0.00 WAT1 ATOM 1909 H1 TIP3 179 -17.333 -24.773 24.816 0.00 0.00 WAT1 ATOM 1910 H2 TIP3 179 -17.469 -23.926 23.568 0.00 0.00 WAT1 ATOM 1911 OH2 TIP3 180 -19.522 -16.157 23.408 0.00 0.00 WAT1 ATOM 1912 H1 TIP3 180 -19.818 -16.479 22.557 0.00 0.00 WAT1 ATOM 1913 H2 TIP3 180 -19.846 -15.257 23.450 0.00 0.00 WAT1 ATOM 1914 OH2 TIP3 181 -16.168 -14.724 28.434 0.00 0.00 WAT1 ATOM 1915 H1 TIP3 181 -17.110 -14.666 28.595 0.00 0.00 WAT1 ATOM 1916 H2 TIP3 181 -15.892 -13.818 28.297 0.00 0.00 WAT1 ATOM 1917 OH2 TIP3 182 -17.916 -12.943 25.059 0.00 0.00 WAT1 ATOM 1918 H1 TIP3 182 -17.491 -13.650 24.574 0.00 0.00 WAT1 ATOM 1919 H2 TIP3 182 -17.599 -12.142 24.642 0.00 0.00 WAT1 ATOM 1920 OH2 TIP3 183 -16.757 -15.042 23.568 0.00 0.00 WAT1 ATOM 1921 H1 TIP3 183 -17.014 -15.732 22.956 0.00 0.00 WAT1 ATOM 1922 H2 TIP3 183 -16.686 -15.485 24.413 0.00 0.00 WAT1 ATOM 1923 OH2 TIP3 184 -15.071 -16.476 32.045 0.00 0.00 WAT1 ATOM 1924 H1 TIP3 184 -14.931 -17.067 31.306 0.00 0.00 WAT1 ATOM 1925 H2 TIP3 184 -14.903 -15.603 31.689 0.00 0.00 WAT1 ATOM 1926 OH2 TIP3 185 -20.598 -19.514 21.817 0.00 0.00 WAT1 ATOM 1927 H1 TIP3 185 -21.310 -18.979 21.466 0.00 0.00 WAT1 ATOM 1928 H2 TIP3 185 -19.907 -19.458 21.157 0.00 0.00 WAT1 ATOM 1929 OH2 TIP3 186 -20.544 -21.056 18.856 0.00 0.00 WAT1 ATOM 1930 H1 TIP3 186 -19.843 -21.034 19.507 0.00 0.00 WAT1 ATOM 1931 H2 TIP3 186 -20.242 -21.684 18.200 0.00 0.00 WAT1 ATOM 1932 OH2 TIP3 187 -17.295 -21.130 31.837 0.00 0.00 WAT1 ATOM 1933 H1 TIP3 187 -17.215 -20.367 32.409 0.00 0.00 WAT1 ATOM 1934 H2 TIP3 187 -17.896 -20.851 31.146 0.00 0.00 WAT1 ATOM 1935 OH2 TIP3 188 -18.871 -14.402 29.019 0.00 0.00 WAT1 ATOM 1936 H1 TIP3 188 -19.112 -13.740 29.667 0.00 0.00 WAT1 ATOM 1937 H2 TIP3 188 -19.069 -15.236 29.444 0.00 0.00 WAT1 ATOM 1938 OH2 TIP3 189 -12.516 -13.795 33.622 0.00 0.00 WAT1 ATOM 1939 H1 TIP3 189 -12.565 -14.750 33.585 0.00 0.00 WAT1 ATOM 1940 H2 TIP3 189 -13.342 -13.527 34.024 0.00 0.00 WAT1 ATOM 1941 OH2 TIP3 190 -18.021 -11.295 19.307 0.00 0.00 WAT1 ATOM 1942 H1 TIP3 190 -17.646 -12.039 18.836 0.00 0.00 WAT1 ATOM 1943 H2 TIP3 190 -18.017 -11.565 20.225 0.00 0.00 WAT1 ATOM 1944 OH2 TIP3 191 -15.364 -22.302 34.102 0.00 0.00 WAT1 ATOM 1945 H1 TIP3 191 -15.771 -21.821 33.382 0.00 0.00 WAT1 ATOM 1946 H2 TIP3 191 -15.323 -23.207 33.795 0.00 0.00 WAT1 ATOM 1947 OH2 TIP3 192 -20.933 -27.726 31.469 0.00 0.00 WAT1 ATOM 1948 H1 TIP3 192 -20.513 -28.141 32.222 0.00 0.00 WAT1 ATOM 1949 H2 TIP3 192 -21.866 -27.904 31.586 0.00 0.00 WAT1 ATOM 1950 OH2 TIP3 193 -17.607 -23.970 32.323 0.00 0.00 WAT1 ATOM 1951 H1 TIP3 193 -18.121 -24.096 33.120 0.00 0.00 WAT1 ATOM 1952 H2 TIP3 193 -17.762 -23.058 32.078 0.00 0.00 WAT1 ATOM 1953 OH2 TIP3 194 -21.271 -25.233 18.754 0.00 0.00 WAT1 ATOM 1954 H1 TIP3 194 -21.525 -25.214 19.677 0.00 0.00 WAT1 ATOM 1955 H2 TIP3 194 -21.528 -26.105 18.453 0.00 0.00 WAT1 ATOM 1956 OH2 TIP3 195 -19.972 -21.845 22.919 0.00 0.00 WAT1 ATOM 1957 H1 TIP3 195 -20.381 -21.030 22.627 0.00 0.00 WAT1 ATOM 1958 H2 TIP3 195 -19.252 -21.985 22.304 0.00 0.00 WAT1 ATOM 1959 OH2 TIP3 196 -18.968 -22.399 25.733 0.00 0.00 WAT1 ATOM 1960 H1 TIP3 196 -19.163 -21.794 25.018 0.00 0.00 WAT1 ATOM 1961 H2 TIP3 196 -18.786 -23.233 25.298 0.00 0.00 WAT1 ATOM 1962 OH2 TIP3 197 -24.389 -24.788 17.855 0.00 0.00 WAT1 ATOM 1963 H1 TIP3 197 -24.820 -25.233 18.585 0.00 0.00 WAT1 ATOM 1964 H2 TIP3 197 -25.107 -24.416 17.343 0.00 0.00 WAT1 ATOM 1965 OH2 TIP3 198 -19.704 -20.761 30.404 0.00 0.00 WAT1 ATOM 1966 H1 TIP3 198 -19.380 -21.392 29.761 0.00 0.00 WAT1 ATOM 1967 H2 TIP3 198 -20.144 -21.296 31.065 0.00 0.00 WAT1 ATOM 1968 OH2 TIP3 199 -18.521 -25.599 28.452 0.00 0.00 WAT1 ATOM 1969 H1 TIP3 199 -19.198 -25.468 29.116 0.00 0.00 WAT1 ATOM 1970 H2 TIP3 199 -19.007 -25.754 27.642 0.00 0.00 WAT1 ATOM 1971 OH2 TIP3 200 -15.286 -18.312 29.960 0.00 0.00 WAT1 ATOM 1972 H1 TIP3 200 -14.644 -17.855 29.417 0.00 0.00 WAT1 ATOM 1973 H2 TIP3 200 -16.116 -18.199 29.498 0.00 0.00 WAT1 ATOM 1974 OH2 TIP3 201 -20.310 -15.986 20.199 0.00 0.00 WAT1 ATOM 1975 H1 TIP3 201 -20.605 -15.160 20.581 0.00 0.00 WAT1 ATOM 1976 H2 TIP3 201 -21.013 -16.606 20.395 0.00 0.00 WAT1 ATOM 1977 OH2 TIP3 202 -12.971 -16.754 33.565 0.00 0.00 WAT1 ATOM 1978 H1 TIP3 202 -13.823 -16.516 33.198 0.00 0.00 WAT1 ATOM 1979 H2 TIP3 202 -12.381 -16.771 32.812 0.00 0.00 WAT1 ATOM 1980 OH2 TIP3 203 -14.639 -13.768 21.193 0.00 0.00 WAT1 ATOM 1981 H1 TIP3 203 -15.012 -14.594 21.503 0.00 0.00 WAT1 ATOM 1982 H2 TIP3 203 -14.362 -13.951 20.296 0.00 0.00 WAT1 ATOM 1983 OH2 TIP3 204 -17.479 -18.960 28.215 0.00 0.00 WAT1 ATOM 1984 H1 TIP3 204 -18.407 -19.192 28.188 0.00 0.00 WAT1 ATOM 1985 H2 TIP3 204 -17.028 -19.737 27.885 0.00 0.00 WAT1 ATOM 1986 OH2 TIP3 205 -19.450 -16.721 29.940 0.00 0.00 WAT1 ATOM 1987 H1 TIP3 205 -19.876 -16.948 30.766 0.00 0.00 WAT1 ATOM 1988 H2 TIP3 205 -18.869 -17.459 29.757 0.00 0.00 WAT1 ATOM 1989 OH2 TIP3 206 -17.247 -15.792 19.014 0.00 0.00 WAT1 ATOM 1990 H1 TIP3 206 -16.894 -16.172 19.818 0.00 0.00 WAT1 ATOM 1991 H2 TIP3 206 -18.196 -15.885 19.100 0.00 0.00 WAT1 ATOM 1992 OH2 TIP3 207 -12.743 -11.312 19.215 0.00 0.00 WAT1 ATOM 1993 H1 TIP3 207 -12.000 -10.726 19.075 0.00 0.00 WAT1 ATOM 1994 H2 TIP3 207 -13.438 -10.744 19.548 0.00 0.00 WAT1 ATOM 1995 OH2 TIP3 208 -19.934 -25.195 30.706 0.00 0.00 WAT1 ATOM 1996 H1 TIP3 208 -19.236 -25.121 31.356 0.00 0.00 WAT1 ATOM 1997 H2 TIP3 208 -20.315 -26.059 30.861 0.00 0.00 WAT1 ATOM 1998 OH2 TIP3 209 -21.950 -23.815 22.638 0.00 0.00 WAT1 ATOM 1999 H1 TIP3 209 -21.138 -23.311 22.684 0.00 0.00 WAT1 ATOM 2000 H2 TIP3 209 -22.195 -23.960 23.552 0.00 0.00 WAT1 ATOM 2001 OH2 TIP3 210 -21.414 -22.829 31.823 0.00 0.00 WAT1 ATOM 2002 H1 TIP3 210 -21.295 -22.255 32.580 0.00 0.00 WAT1 ATOM 2003 H2 TIP3 210 -20.759 -23.517 31.938 0.00 0.00 WAT1 ATOM 2004 OH2 TIP3 211 -21.066 -26.734 23.576 0.00 0.00 WAT1 ATOM 2005 H1 TIP3 211 -21.413 -26.116 24.221 0.00 0.00 WAT1 ATOM 2006 H2 TIP3 211 -20.408 -26.233 23.095 0.00 0.00 WAT1 ATOM 2007 OH2 TIP3 212 -16.608 -21.171 26.754 0.00 0.00 WAT1 ATOM 2008 H1 TIP3 212 -17.405 -21.586 26.425 0.00 0.00 WAT1 ATOM 2009 H2 TIP3 212 -16.163 -21.862 27.245 0.00 0.00 WAT1 ATOM 2010 OH2 TIP3 213 -15.521 -11.915 28.376 0.00 0.00 WAT1 ATOM 2011 H1 TIP3 213 -15.677 -11.237 27.719 0.00 0.00 WAT1 ATOM 2012 H2 TIP3 213 -14.589 -11.843 28.579 0.00 0.00 WAT1 ATOM 2013 OH2 TIP3 214 -16.514 -13.000 17.833 0.00 0.00 WAT1 ATOM 2014 H1 TIP3 214 -16.231 -13.794 18.286 0.00 0.00 WAT1 ATOM 2015 H2 TIP3 214 -15.774 -12.767 17.272 0.00 0.00 WAT1 ATOM 2016 OH2 TIP3 215 -20.207 -16.043 17.426 0.00 0.00 WAT1 ATOM 2017 H1 TIP3 215 -20.475 -15.863 18.327 0.00 0.00 WAT1 ATOM 2018 H2 TIP3 215 -20.413 -16.969 17.295 0.00 0.00 WAT1 ATOM 2019 OH2 TIP3 216 -17.510 -17.548 32.374 0.00 0.00 WAT1 ATOM 2020 H1 TIP3 216 -16.765 -16.960 32.254 0.00 0.00 WAT1 ATOM 2021 H2 TIP3 216 -18.267 -16.966 32.437 0.00 0.00 WAT1 ATOM 2022 OH2 TIP3 217 -18.371 -22.246 36.195 0.00 0.00 WAT1 ATOM 2023 H1 TIP3 217 -18.179 -23.177 36.084 0.00 0.00 WAT1 ATOM 2024 H2 TIP3 217 -17.514 -21.821 36.185 0.00 0.00 WAT1 ATOM 2025 OH2 TIP3 218 -17.055 -19.457 34.273 0.00 0.00 WAT1 ATOM 2026 H1 TIP3 218 -17.336 -18.748 33.695 0.00 0.00 WAT1 ATOM 2027 H2 TIP3 218 -16.112 -19.530 34.122 0.00 0.00 WAT1 ATOM 2028 OH2 TIP3 219 -19.583 -24.595 33.998 0.00 0.00 WAT1 ATOM 2029 H1 TIP3 219 -20.531 -24.563 34.130 0.00 0.00 WAT1 ATOM 2030 H2 TIP3 219 -19.271 -25.220 34.652 0.00 0.00 WAT1 ATOM 2031 OH2 TIP3 220 -17.949 -25.961 36.003 0.00 0.00 WAT1 ATOM 2032 H1 TIP3 220 -18.046 -26.913 35.997 0.00 0.00 WAT1 ATOM 2033 H2 TIP3 220 -18.271 -25.692 36.864 0.00 0.00 WAT1 ATOM 2034 OH2 TIP3 221 -12.805 -11.265 28.605 0.00 0.00 WAT1 ATOM 2035 H1 TIP3 221 -12.827 -11.080 29.544 0.00 0.00 WAT1 ATOM 2036 H2 TIP3 221 -12.115 -10.696 28.264 0.00 0.00 WAT1 ATOM 2037 OH2 TIP3 222 -13.242 -11.698 31.527 0.00 0.00 WAT1 ATOM 2038 H1 TIP3 222 -13.729 -12.433 31.156 0.00 0.00 WAT1 ATOM 2039 H2 TIP3 222 -12.693 -12.091 32.205 0.00 0.00 WAT1 ATOM 2040 OH2 TIP3 223 -14.850 -13.935 30.758 0.00 0.00 WAT1 ATOM 2041 H1 TIP3 223 -15.498 -13.610 31.383 0.00 0.00 WAT1 ATOM 2042 H2 TIP3 223 -15.368 -14.375 30.083 0.00 0.00 WAT1 ATOM 2043 OH2 TIP3 224 -14.453 -19.107 33.705 0.00 0.00 WAT1 ATOM 2044 H1 TIP3 224 -13.870 -19.841 33.896 0.00 0.00 WAT1 ATOM 2045 H2 TIP3 224 -13.889 -18.335 33.751 0.00 0.00 WAT1 ATOM 2046 OH2 TIP3 225 -12.675 -28.196 36.094 0.00 0.00 WAT1 ATOM 2047 H1 TIP3 225 -12.325 -28.850 35.488 0.00 0.00 WAT1 ATOM 2048 H2 TIP3 225 -12.528 -27.359 35.654 0.00 0.00 WAT1 ATOM 2049 OH2 TIP3 226 -16.067 -11.175 24.177 0.00 0.00 WAT1 ATOM 2050 H1 TIP3 226 -15.414 -11.522 23.569 0.00 0.00 WAT1 ATOM 2051 H2 TIP3 226 -15.556 -10.686 24.823 0.00 0.00 WAT1 ATOM 2052 OH2 TIP3 227 -20.724 -26.548 26.585 0.00 0.00 WAT1 ATOM 2053 H1 TIP3 227 -21.399 -27.177 26.840 0.00 0.00 WAT1 ATOM 2054 H2 TIP3 227 -20.160 -27.032 25.982 0.00 0.00 WAT1 ATOM 2055 OH2 TIP3 228 -18.261 -27.957 25.869 0.00 0.00 WAT1 ATOM 2056 H1 TIP3 228 -18.185 -27.862 24.920 0.00 0.00 WAT1 ATOM 2057 H2 TIP3 228 -18.537 -28.865 25.998 0.00 0.00 WAT1 ATOM 2058 OH2 TIP3 229 -22.674 -25.907 21.110 0.00 0.00 WAT1 ATOM 2059 H1 TIP3 229 -22.496 -26.553 21.793 0.00 0.00 WAT1 ATOM 2060 H2 TIP3 229 -22.728 -25.073 21.577 0.00 0.00 WAT1 ATOM 2061 OH2 TIP3 230 -14.087 -11.395 22.185 0.00 0.00 WAT1 ATOM 2062 H1 TIP3 230 -14.281 -12.143 21.620 0.00 0.00 WAT1 ATOM 2063 H2 TIP3 230 -14.126 -10.637 21.601 0.00 0.00 WAT1 ATOM 2064 OH2 TIP3 231 -18.045 -28.717 35.642 0.00 0.00 WAT1 ATOM 2065 H1 TIP3 231 -17.969 -29.143 36.496 0.00 0.00 WAT1 ATOM 2066 H2 TIP3 231 -17.152 -28.703 35.300 0.00 0.00 WAT1 ATOM 2067 OH2 TIP3 232 -16.215 -25.153 45.028 0.00 0.00 WAT1 ATOM 2068 H1 TIP3 232 -16.430 -25.919 45.560 0.00 0.00 WAT1 ATOM 2069 H2 TIP3 232 -15.559 -24.681 45.541 0.00 0.00 WAT1 ATOM 2070 OH2 TIP3 233 -14.623 -28.392 39.123 0.00 0.00 WAT1 ATOM 2071 H1 TIP3 233 -15.522 -28.253 39.418 0.00 0.00 WAT1 ATOM 2072 H2 TIP3 233 -14.371 -27.561 38.721 0.00 0.00 WAT1 ATOM 2073 OH2 TIP3 234 -18.538 -24.631 38.229 0.00 0.00 WAT1 ATOM 2074 H1 TIP3 234 -19.476 -24.519 38.078 0.00 0.00 WAT1 ATOM 2075 H2 TIP3 234 -18.241 -23.774 38.535 0.00 0.00 WAT1 ATOM 2076 OH2 TIP3 235 -17.820 -22.764 39.890 0.00 0.00 WAT1 ATOM 2077 H1 TIP3 235 -16.928 -22.901 40.209 0.00 0.00 WAT1 ATOM 2078 H2 TIP3 235 -17.763 -21.973 39.353 0.00 0.00 WAT1 ATOM 2079 OH2 TIP3 236 -13.949 -18.520 36.560 0.00 0.00 WAT1 ATOM 2080 H1 TIP3 236 -14.222 -18.945 35.747 0.00 0.00 WAT1 ATOM 2081 H2 TIP3 236 -13.909 -17.589 36.343 0.00 0.00 WAT1 ATOM 2082 OH2 TIP3 237 -13.096 -19.598 42.359 0.00 0.00 WAT1 ATOM 2083 H1 TIP3 237 -13.822 -20.077 42.757 0.00 0.00 WAT1 ATOM 2084 H2 TIP3 237 -12.515 -19.392 43.091 0.00 0.00 WAT1 ATOM 2085 OH2 TIP3 238 -12.828 -19.697 38.750 0.00 0.00 WAT1 ATOM 2086 H1 TIP3 238 -13.349 -19.340 38.031 0.00 0.00 WAT1 ATOM 2087 H2 TIP3 238 -12.861 -19.022 39.428 0.00 0.00 WAT1 ATOM 2088 OH2 TIP3 239 -14.479 -22.457 37.301 0.00 0.00 WAT1 ATOM 2089 H1 TIP3 239 -14.382 -21.790 36.621 0.00 0.00 WAT1 ATOM 2090 H2 TIP3 239 -14.619 -23.273 36.819 0.00 0.00 WAT1 ATOM 2091 OH2 TIP3 240 -15.309 -21.077 42.922 0.00 0.00 WAT1 ATOM 2092 H1 TIP3 240 -15.459 -22.022 42.902 0.00 0.00 WAT1 ATOM 2093 H2 TIP3 240 -15.663 -20.796 43.766 0.00 0.00 WAT1 ATOM 2094 OH2 TIP3 241 -15.231 -25.049 36.418 0.00 0.00 WAT1 ATOM 2095 H1 TIP3 241 -14.621 -25.421 37.055 0.00 0.00 WAT1 ATOM 2096 H2 TIP3 241 -16.068 -25.471 36.614 0.00 0.00 WAT1 ATOM 2097 OH2 TIP3 242 -15.599 -23.494 41.384 0.00 0.00 WAT1 ATOM 2098 H1 TIP3 242 -15.319 -24.401 41.509 0.00 0.00 WAT1 ATOM 2099 H2 TIP3 242 -14.840 -23.060 40.995 0.00 0.00 WAT1 ATOM 2100 OH2 TIP3 243 -14.985 -26.231 41.433 0.00 0.00 WAT1 ATOM 2101 H1 TIP3 243 -14.803 -26.680 42.258 0.00 0.00 WAT1 ATOM 2102 H2 TIP3 243 -15.585 -26.816 40.969 0.00 0.00 WAT1 ATOM 2103 OH2 TIP3 244 -13.855 -27.302 43.887 0.00 0.00 WAT1 ATOM 2104 H1 TIP3 244 -13.243 -27.816 43.360 0.00 0.00 WAT1 ATOM 2105 H2 TIP3 244 -13.472 -26.424 43.910 0.00 0.00 WAT1 ATOM 2106 OH2 TIP3 245 -16.908 -27.931 40.418 0.00 0.00 WAT1 ATOM 2107 H1 TIP3 245 -17.611 -27.317 40.208 0.00 0.00 WAT1 ATOM 2108 H2 TIP3 245 -17.353 -28.769 40.549 0.00 0.00 WAT1 ATOM 2109 OH2 TIP3 246 -13.334 -6.613 -8.661 0.00 0.00 WAT1 ATOM 2110 H1 TIP3 246 -13.285 -6.003 -7.925 0.00 0.00 WAT1 ATOM 2111 H2 TIP3 246 -12.908 -6.152 -9.384 0.00 0.00 WAT1 ATOM 2112 OH2 TIP3 247 -12.942 -5.135 -6.425 0.00 0.00 WAT1 ATOM 2113 H1 TIP3 247 -13.631 -4.477 -6.520 0.00 0.00 WAT1 ATOM 2114 H2 TIP3 247 -12.927 -5.332 -5.488 0.00 0.00 WAT1 ATOM 2115 OH2 TIP3 248 -16.168 4.132 -9.278 0.00 0.00 WAT1 ATOM 2116 H1 TIP3 248 -17.110 4.190 -9.117 0.00 0.00 WAT1 ATOM 2117 H2 TIP3 248 -15.892 5.038 -9.415 0.00 0.00 WAT1 ATOM 2118 OH2 TIP3 249 -13.229 -1.280 -7.601 0.00 0.00 WAT1 ATOM 2119 H1 TIP3 249 -13.881 -0.585 -7.512 0.00 0.00 WAT1 ATOM 2120 H2 TIP3 249 -12.764 -1.070 -8.411 0.00 0.00 WAT1 ATOM 2121 OH2 TIP3 250 -17.295 -2.274 -5.875 0.00 0.00 WAT1 ATOM 2122 H1 TIP3 250 -17.215 -1.511 -5.303 0.00 0.00 WAT1 ATOM 2123 H2 TIP3 250 -17.896 -1.995 -6.566 0.00 0.00 WAT1 ATOM 2124 OH2 TIP3 251 -15.364 -3.446 -3.610 0.00 0.00 WAT1 ATOM 2125 H1 TIP3 251 -15.771 -2.965 -4.330 0.00 0.00 WAT1 ATOM 2126 H2 TIP3 251 -15.323 -4.351 -3.917 0.00 0.00 WAT1 ATOM 2127 OH2 TIP3 252 -15.234 8.929 -2.983 0.00 0.00 WAT1 ATOM 2128 H1 TIP3 252 -15.034 9.353 -3.818 0.00 0.00 WAT1 ATOM 2129 H2 TIP3 252 -14.578 9.272 -2.376 0.00 0.00 WAT1 ATOM 2130 OH2 TIP3 253 -15.286 0.544 -7.752 0.00 0.00 WAT1 ATOM 2131 H1 TIP3 253 -14.644 1.001 -8.295 0.00 0.00 WAT1 ATOM 2132 H2 TIP3 253 -16.116 0.657 -8.214 0.00 0.00 WAT1 ATOM 2133 OH2 TIP3 254 -18.666 4.057 -5.351 0.00 0.00 WAT1 ATOM 2134 H1 TIP3 254 -19.567 4.240 -5.619 0.00 0.00 WAT1 ATOM 2135 H2 TIP3 254 -18.632 4.316 -4.430 0.00 0.00 WAT1 ATOM 2136 OH2 TIP3 255 -16.791 6.687 -5.303 0.00 0.00 WAT1 ATOM 2137 H1 TIP3 255 -17.393 6.132 -5.798 0.00 0.00 WAT1 ATOM 2138 H2 TIP3 255 -16.510 7.354 -5.929 0.00 0.00 WAT1 ATOM 2139 OH2 TIP3 256 -15.210 -6.066 -5.054 0.00 0.00 WAT1 ATOM 2140 H1 TIP3 256 -16.126 -5.803 -5.142 0.00 0.00 WAT1 ATOM 2141 H2 TIP3 256 -14.874 -6.069 -5.951 0.00 0.00 WAT1 ATOM 2142 OH2 TIP3 257 -15.521 6.941 -9.336 0.00 0.00 WAT1 ATOM 2143 H1 TIP3 257 -15.677 7.619 -9.993 0.00 0.00 WAT1 ATOM 2144 H2 TIP3 257 -14.589 7.013 -9.133 0.00 0.00 WAT1 ATOM 2145 OH2 TIP3 258 -18.633 4.911 -2.759 0.00 0.00 WAT1 ATOM 2146 H1 TIP3 258 -18.984 4.055 -2.516 0.00 0.00 WAT1 ATOM 2147 H2 TIP3 258 -17.907 5.054 -2.152 0.00 0.00 WAT1 ATOM 2148 OH2 TIP3 259 -17.510 1.308 -5.338 0.00 0.00 WAT1 ATOM 2149 H1 TIP3 259 -16.765 1.896 -5.458 0.00 0.00 WAT1 ATOM 2150 H2 TIP3 259 -18.267 1.890 -5.275 0.00 0.00 WAT1 ATOM 2151 OH2 TIP3 260 -18.371 -3.390 -1.517 0.00 0.00 WAT1 ATOM 2152 H1 TIP3 260 -18.179 -4.321 -1.628 0.00 0.00 WAT1 ATOM 2153 H2 TIP3 260 -17.514 -2.965 -1.527 0.00 0.00 WAT1 ATOM 2154 OH2 TIP3 261 -17.055 -0.601 -3.439 0.00 0.00 WAT1 ATOM 2155 H1 TIP3 261 -17.336 0.108 -4.017 0.00 0.00 WAT1 ATOM 2156 H2 TIP3 261 -16.112 -0.674 -3.590 0.00 0.00 WAT1 ATOM 2157 OH2 TIP3 262 -17.949 -7.105 -1.709 0.00 0.00 WAT1 ATOM 2158 H1 TIP3 262 -18.046 -8.057 -1.715 0.00 0.00 WAT1 ATOM 2159 H2 TIP3 262 -18.271 -6.836 -0.848 0.00 0.00 WAT1 ATOM 2160 OH2 TIP3 263 -12.805 7.591 -9.107 0.00 0.00 WAT1 ATOM 2161 H1 TIP3 263 -12.827 7.776 -8.168 0.00 0.00 WAT1 ATOM 2162 H2 TIP3 263 -12.115 8.160 -9.448 0.00 0.00 WAT1 ATOM 2163 OH2 TIP3 264 -13.242 7.158 -6.185 0.00 0.00 WAT1 ATOM 2164 H1 TIP3 264 -13.729 6.423 -6.556 0.00 0.00 WAT1 ATOM 2165 H2 TIP3 264 -12.693 6.765 -5.507 0.00 0.00 WAT1 ATOM 2166 OH2 TIP3 265 -13.337 2.043 -9.261 0.00 0.00 WAT1 ATOM 2167 H1 TIP3 265 -12.503 1.665 -9.542 0.00 0.00 WAT1 ATOM 2168 H2 TIP3 265 -13.225 2.986 -9.380 0.00 0.00 WAT1 ATOM 2169 OH2 TIP3 266 -14.850 4.921 -6.954 0.00 0.00 WAT1 ATOM 2170 H1 TIP3 266 -15.498 5.246 -6.329 0.00 0.00 WAT1 ATOM 2171 H2 TIP3 266 -15.368 4.481 -7.629 0.00 0.00 WAT1 ATOM 2172 OH2 TIP3 267 -14.958 -3.320 -6.972 0.00 0.00 WAT1 ATOM 2173 H1 TIP3 267 -15.801 -3.052 -6.606 0.00 0.00 WAT1 ATOM 2174 H2 TIP3 267 -14.515 -2.498 -7.183 0.00 0.00 WAT1 ATOM 2175 OH2 TIP3 268 -14.154 -9.141 -5.450 0.00 0.00 WAT1 ATOM 2176 H1 TIP3 268 -14.967 -8.816 -5.838 0.00 0.00 WAT1 ATOM 2177 H2 TIP3 268 -13.921 -9.901 -5.983 0.00 0.00 WAT1 ATOM 2178 OH2 TIP3 269 -16.216 8.777 -7.240 0.00 0.00 WAT1 ATOM 2179 H1 TIP3 269 -16.398 9.693 -7.451 0.00 0.00 WAT1 ATOM 2180 H2 TIP3 269 -16.040 8.367 -8.087 0.00 0.00 WAT1 ATOM 2181 OH2 TIP3 270 -14.869 6.212 -3.377 0.00 0.00 WAT1 ATOM 2182 H1 TIP3 270 -15.651 6.026 -3.897 0.00 0.00 WAT1 ATOM 2183 H2 TIP3 270 -14.941 7.141 -3.160 0.00 0.00 WAT1 ATOM 2184 OH2 TIP3 271 -13.334 -6.613 10.195 0.00 0.00 WAT1 ATOM 2185 H1 TIP3 271 -13.285 -6.003 10.931 0.00 0.00 WAT1 ATOM 2186 H2 TIP3 271 -12.908 -6.152 9.472 0.00 0.00 WAT1 ATOM 2187 OH2 TIP3 272 -12.942 -5.135 12.431 0.00 0.00 WAT1 ATOM 2188 H1 TIP3 272 -13.631 -4.477 12.336 0.00 0.00 WAT1 ATOM 2189 H2 TIP3 272 -12.927 -5.332 13.368 0.00 0.00 WAT1 ATOM 2190 OH2 TIP3 273 -15.868 -7.582 10.995 0.00 0.00 WAT1 ATOM 2191 H1 TIP3 273 -16.604 -6.971 10.957 0.00 0.00 WAT1 ATOM 2192 H2 TIP3 273 -15.184 -7.167 10.469 0.00 0.00 WAT1 ATOM 2193 OH2 TIP3 274 -17.192 -0.448 3.913 0.00 0.00 WAT1 ATOM 2194 H1 TIP3 274 -17.924 -0.220 4.486 0.00 0.00 WAT1 ATOM 2195 H2 TIP3 274 -16.745 -1.162 4.368 0.00 0.00 WAT1 ATOM 2196 OH2 TIP3 275 -14.623 -9.536 1.411 0.00 0.00 WAT1 ATOM 2197 H1 TIP3 275 -15.522 -9.397 1.706 0.00 0.00 WAT1 ATOM 2198 H2 TIP3 275 -14.371 -8.705 1.009 0.00 0.00 WAT1 ATOM 2199 OH2 TIP3 276 -13.433 4.830 -0.212 0.00 0.00 WAT1 ATOM 2200 H1 TIP3 276 -13.360 5.769 -0.042 0.00 0.00 WAT1 ATOM 2201 H2 TIP3 276 -12.528 4.525 -0.269 0.00 0.00 WAT1 ATOM 2202 OH2 TIP3 277 -16.844 -0.253 -0.772 0.00 0.00 WAT1 ATOM 2203 H1 TIP3 277 -16.802 -0.476 -1.702 0.00 0.00 WAT1 ATOM 2204 H2 TIP3 277 -15.995 0.145 -0.582 0.00 0.00 WAT1 ATOM 2205 OH2 TIP3 278 -18.538 -5.775 0.517 0.00 0.00 WAT1 ATOM 2206 H1 TIP3 278 -19.476 -5.663 0.366 0.00 0.00 WAT1 ATOM 2207 H2 TIP3 278 -18.241 -4.918 0.823 0.00 0.00 WAT1 ATOM 2208 OH2 TIP3 279 -17.820 -3.908 2.178 0.00 0.00 WAT1 ATOM 2209 H1 TIP3 279 -16.928 -4.045 2.497 0.00 0.00 WAT1 ATOM 2210 H2 TIP3 279 -17.763 -3.117 1.641 0.00 0.00 WAT1 ATOM 2211 OH2 TIP3 280 -14.639 5.088 2.337 0.00 0.00 WAT1 ATOM 2212 H1 TIP3 280 -15.012 4.262 2.647 0.00 0.00 WAT1 ATOM 2213 H2 TIP3 280 -14.362 4.905 1.440 0.00 0.00 WAT1 ATOM 2214 OH2 TIP3 281 -17.247 3.064 0.158 0.00 0.00 WAT1 ATOM 2215 H1 TIP3 281 -16.894 2.684 0.962 0.00 0.00 WAT1 ATOM 2216 H2 TIP3 281 -18.196 2.971 0.244 0.00 0.00 WAT1 ATOM 2217 OH2 TIP3 282 -12.743 7.544 0.359 0.00 0.00 WAT1 ATOM 2218 H1 TIP3 282 -12.000 8.130 0.219 0.00 0.00 WAT1 ATOM 2219 H2 TIP3 282 -13.438 8.112 0.692 0.00 0.00 WAT1 ATOM 2220 OH2 TIP3 283 -16.381 1.737 2.384 0.00 0.00 WAT1 ATOM 2221 H1 TIP3 283 -16.658 1.009 2.940 0.00 0.00 WAT1 ATOM 2222 H2 TIP3 283 -15.454 1.856 2.590 0.00 0.00 WAT1 ATOM 2223 OH2 TIP3 284 -15.210 -6.066 13.802 0.00 0.00 WAT1 ATOM 2224 H1 TIP3 284 -16.126 -5.803 13.714 0.00 0.00 WAT1 ATOM 2225 H2 TIP3 284 -14.874 -6.069 12.905 0.00 0.00 WAT1 ATOM 2226 OH2 TIP3 285 -16.514 5.856 -1.023 0.00 0.00 WAT1 ATOM 2227 H1 TIP3 285 -16.231 5.062 -0.570 0.00 0.00 WAT1 ATOM 2228 H2 TIP3 285 -15.774 6.089 -1.584 0.00 0.00 WAT1 ATOM 2229 OH2 TIP3 286 -13.490 1.205 2.823 0.00 0.00 WAT1 ATOM 2230 H1 TIP3 286 -12.640 1.626 2.951 0.00 0.00 WAT1 ATOM 2231 H2 TIP3 286 -13.485 0.465 3.431 0.00 0.00 WAT1 ATOM 2232 OH2 TIP3 287 -13.096 -0.742 4.647 0.00 0.00 WAT1 ATOM 2233 H1 TIP3 287 -13.822 -1.221 5.045 0.00 0.00 WAT1 ATOM 2234 H2 TIP3 287 -12.515 -0.536 5.379 0.00 0.00 WAT1 ATOM 2235 OH2 TIP3 288 -15.309 -2.221 5.210 0.00 0.00 WAT1 ATOM 2236 H1 TIP3 288 -15.459 -3.166 5.190 0.00 0.00 WAT1 ATOM 2237 H2 TIP3 288 -15.663 -1.940 6.054 0.00 0.00 WAT1 ATOM 2238 OH2 TIP3 289 -15.231 -6.193 -1.294 0.00 0.00 WAT1 ATOM 2239 H1 TIP3 289 -14.621 -6.565 -0.657 0.00 0.00 WAT1 ATOM 2240 H2 TIP3 289 -16.068 -6.615 -1.098 0.00 0.00 WAT1 ATOM 2241 OH2 TIP3 290 -15.599 -4.638 3.672 0.00 0.00 WAT1 ATOM 2242 H1 TIP3 290 -15.319 -5.545 3.797 0.00 0.00 WAT1 ATOM 2243 H2 TIP3 290 -14.840 -4.204 3.283 0.00 0.00 WAT1 ATOM 2244 OH2 TIP3 291 -14.985 -7.375 3.721 0.00 0.00 WAT1 ATOM 2245 H1 TIP3 291 -14.803 -7.824 4.546 0.00 0.00 WAT1 ATOM 2246 H2 TIP3 291 -15.585 -7.960 3.257 0.00 0.00 WAT1 ATOM 2247 OH2 TIP3 292 -13.155 -7.231 15.587 0.00 0.00 WAT1 ATOM 2248 H1 TIP3 292 -14.072 -6.960 15.551 0.00 0.00 WAT1 ATOM 2249 H2 TIP3 292 -13.032 -7.766 14.803 0.00 0.00 WAT1 ATOM 2250 OH2 TIP3 293 -15.582 -9.585 7.841 0.00 0.00 WAT1 ATOM 2251 H1 TIP3 293 -14.978 -9.037 7.340 0.00 0.00 WAT1 ATOM 2252 H2 TIP3 293 -16.451 -9.265 7.601 0.00 0.00 WAT1 ATOM 2253 OH2 TIP3 294 -13.855 -8.446 6.175 0.00 0.00 WAT1 ATOM 2254 H1 TIP3 294 -13.243 -8.960 5.648 0.00 0.00 WAT1 ATOM 2255 H2 TIP3 294 -13.472 -7.568 6.198 0.00 0.00 WAT1 ATOM 2256 OH2 TIP3 295 -18.261 -9.101 7.013 0.00 0.00 WAT1 ATOM 2257 H1 TIP3 295 -18.185 -9.006 6.064 0.00 0.00 WAT1 ATOM 2258 H2 TIP3 295 -18.537 -10.009 7.142 0.00 0.00 WAT1 ATOM 2259 OH2 TIP3 296 -16.908 -9.075 2.706 0.00 0.00 WAT1 ATOM 2260 H1 TIP3 296 -17.611 -8.461 2.496 0.00 0.00 WAT1 ATOM 2261 H2 TIP3 296 -17.353 -9.913 2.837 0.00 0.00 WAT1 ATOM 2262 OH2 TIP3 297 -14.087 7.461 3.329 0.00 0.00 WAT1 ATOM 2263 H1 TIP3 297 -14.281 6.713 2.764 0.00 0.00 WAT1 ATOM 2264 H2 TIP3 297 -14.126 8.219 2.745 0.00 0.00 WAT1 ATOM 2265 OH2 TIP3 298 -18.045 -9.861 16.786 0.00 0.00 WAT1 ATOM 2266 H1 TIP3 298 -17.969 -10.287 17.640 0.00 0.00 WAT1 ATOM 2267 H2 TIP3 298 -17.152 -9.847 16.444 0.00 0.00 WAT1 ATOM 2268 OH2 TIP3 299 -14.623 -9.536 20.267 0.00 0.00 WAT1 ATOM 2269 H1 TIP3 299 -15.522 -9.397 20.562 0.00 0.00 WAT1 ATOM 2270 H2 TIP3 299 -14.371 -8.705 19.865 0.00 0.00 WAT1 ATOM 2271 OH2 TIP3 300 -15.231 -6.193 17.562 0.00 0.00 WAT1 ATOM 2272 H1 TIP3 300 -14.621 -6.565 18.199 0.00 0.00 WAT1 ATOM 2273 H2 TIP3 300 -16.068 -6.615 17.758 0.00 0.00 WAT1 ATOM 2274 OH2 TIP3 301 -13.119 -7.308 19.105 0.00 0.00 WAT1 ATOM 2275 H1 TIP3 301 -12.706 -8.029 18.629 0.00 0.00 WAT1 ATOM 2276 H2 TIP3 301 -12.437 -6.638 19.163 0.00 0.00 WAT1 ATOM 2277 OH2 TIP3 302 -12.675 9.516 -1.618 0.00 0.00 WAT1 ATOM 2278 H1 TIP3 302 -12.325 8.862 -2.224 0.00 0.00 WAT1 ATOM 2279 H2 TIP3 302 -12.528 10.353 -2.058 0.00 0.00 WAT1 ATOM 2280 OH2 TIP3 303 -14.154 9.715 -5.450 0.00 0.00 WAT1 ATOM 2281 H1 TIP3 303 -14.967 10.040 -5.838 0.00 0.00 WAT1 ATOM 2282 H2 TIP3 303 -13.921 8.955 -5.983 0.00 0.00 WAT1 ATOM 2283 OH2 TIP3 304 3.622 -28.783 -2.983 0.00 0.00 WAT1 ATOM 2284 H1 TIP3 304 3.822 -28.359 -3.818 0.00 0.00 WAT1 ATOM 2285 H2 TIP3 304 4.278 -28.440 -2.376 0.00 0.00 WAT1 ATOM 2286 OH2 TIP3 305 -10.951 -30.100 -3.108 0.00 0.00 WAT1 ATOM 2287 H1 TIP3 305 -10.411 -30.317 -2.349 0.00 0.00 WAT1 ATOM 2288 H2 TIP3 305 -11.432 -30.906 -3.298 0.00 0.00 WAT1 ATOM 2289 OH2 TIP3 306 -6.354 -31.181 -1.488 0.00 0.00 WAT1 ATOM 2290 H1 TIP3 306 -5.586 -31.640 -1.147 0.00 0.00 WAT1 ATOM 2291 H2 TIP3 306 -6.375 -31.407 -2.418 0.00 0.00 WAT1 ATOM 2292 OH2 TIP3 307 -0.463 -37.614 5.509 0.00 0.00 WAT1 ATOM 2293 H1 TIP3 307 -0.374 -36.670 5.377 0.00 0.00 WAT1 ATOM 2294 H2 TIP3 307 -1.102 -37.889 4.851 0.00 0.00 WAT1 ATOM 2295 OH2 TIP3 308 -1.530 -38.359 8.928 0.00 0.00 WAT1 ATOM 2296 H1 TIP3 308 -1.568 -39.005 9.633 0.00 0.00 WAT1 ATOM 2297 H2 TIP3 308 -1.853 -38.825 8.157 0.00 0.00 WAT1 ATOM 2298 OH2 TIP3 309 2.176 -35.420 7.230 0.00 0.00 WAT1 ATOM 2299 H1 TIP3 309 1.735 -36.140 7.680 0.00 0.00 WAT1 ATOM 2300 H2 TIP3 309 2.163 -34.699 7.860 0.00 0.00 WAT1 ATOM 2301 OH2 TIP3 310 -11.628 -40.634 4.449 0.00 0.00 WAT1 ATOM 2302 H1 TIP3 310 -12.076 -39.788 4.431 0.00 0.00 WAT1 ATOM 2303 H2 TIP3 310 -12.189 -41.214 3.934 0.00 0.00 WAT1 ATOM 2304 OH2 TIP3 311 -3.141 -35.926 9.334 0.00 0.00 WAT1 ATOM 2305 H1 TIP3 311 -2.837 -36.612 8.740 0.00 0.00 WAT1 ATOM 2306 H2 TIP3 311 -2.419 -35.808 9.952 0.00 0.00 WAT1 ATOM 2307 OH2 TIP3 312 -6.845 -43.431 6.934 0.00 0.00 WAT1 ATOM 2308 H1 TIP3 312 -6.802 -42.571 6.516 0.00 0.00 WAT1 ATOM 2309 H2 TIP3 312 -7.303 -43.983 6.301 0.00 0.00 WAT1 ATOM 2310 OH2 TIP3 313 -10.225 -41.034 7.696 0.00 0.00 WAT1 ATOM 2311 H1 TIP3 313 -9.571 -41.584 8.128 0.00 0.00 WAT1 ATOM 2312 H2 TIP3 313 -10.201 -41.308 6.780 0.00 0.00 WAT1 ATOM 2313 OH2 TIP3 314 -5.069 -39.484 6.912 0.00 0.00 WAT1 ATOM 2314 H1 TIP3 314 -4.453 -40.010 7.421 0.00 0.00 WAT1 ATOM 2315 H2 TIP3 314 -5.655 -40.124 6.508 0.00 0.00 WAT1 ATOM 2316 OH2 TIP3 315 -8.035 -44.513 11.008 0.00 0.00 WAT1 ATOM 2317 H1 TIP3 315 -8.254 -43.983 10.242 0.00 0.00 WAT1 ATOM 2318 H2 TIP3 315 -8.703 -44.286 11.656 0.00 0.00 WAT1 ATOM 2319 OH2 TIP3 316 -0.666 -35.013 4.552 0.00 0.00 WAT1 ATOM 2320 H1 TIP3 316 -0.962 -35.335 3.701 0.00 0.00 WAT1 ATOM 2321 H2 TIP3 316 -0.990 -34.113 4.594 0.00 0.00 WAT1 ATOM 2322 OH2 TIP3 317 -5.466 -36.837 11.296 0.00 0.00 WAT1 ATOM 2323 H1 TIP3 317 -6.206 -36.239 11.399 0.00 0.00 WAT1 ATOM 2324 H2 TIP3 317 -4.752 -36.283 10.980 0.00 0.00 WAT1 ATOM 2325 OH2 TIP3 318 -8.441 -42.621 8.961 0.00 0.00 WAT1 ATOM 2326 H1 TIP3 318 -7.828 -41.988 9.334 0.00 0.00 WAT1 ATOM 2327 H2 TIP3 318 -7.929 -43.093 8.304 0.00 0.00 WAT1 ATOM 2328 OH2 TIP3 319 2.688 -33.580 9.578 0.00 0.00 WAT1 ATOM 2329 H1 TIP3 319 1.746 -33.522 9.739 0.00 0.00 WAT1 ATOM 2330 H2 TIP3 319 2.964 -32.674 9.441 0.00 0.00 WAT1 ATOM 2331 OH2 TIP3 320 2.099 -33.898 4.712 0.00 0.00 WAT1 ATOM 2332 H1 TIP3 320 1.842 -34.588 4.100 0.00 0.00 WAT1 ATOM 2333 H2 TIP3 320 2.170 -34.341 5.557 0.00 0.00 WAT1 ATOM 2334 OH2 TIP3 321 3.785 -35.332 13.189 0.00 0.00 WAT1 ATOM 2335 H1 TIP3 321 3.925 -35.923 12.450 0.00 0.00 WAT1 ATOM 2336 H2 TIP3 321 3.953 -34.459 12.833 0.00 0.00 WAT1 ATOM 2337 OH2 TIP3 322 -6.691 -37.530 5.796 0.00 0.00 WAT1 ATOM 2338 H1 TIP3 322 -7.021 -37.900 4.977 0.00 0.00 WAT1 ATOM 2339 H2 TIP3 322 -6.103 -38.200 6.142 0.00 0.00 WAT1 ATOM 2340 OH2 TIP3 323 -6.324 -38.761 9.429 0.00 0.00 WAT1 ATOM 2341 H1 TIP3 323 -5.759 -38.640 8.666 0.00 0.00 WAT1 ATOM 2342 H2 TIP3 323 -6.005 -38.124 10.068 0.00 0.00 WAT1 ATOM 2343 OH2 TIP3 324 -5.444 -34.362 14.146 0.00 0.00 WAT1 ATOM 2344 H1 TIP3 324 -5.756 -33.580 14.602 0.00 0.00 WAT1 ATOM 2345 H2 TIP3 324 -6.094 -34.515 13.460 0.00 0.00 WAT1 ATOM 2346 OH2 TIP3 325 -8.524 -38.164 13.375 0.00 0.00 WAT1 ATOM 2347 H1 TIP3 325 -8.454 -37.513 14.073 0.00 0.00 WAT1 ATOM 2348 H2 TIP3 325 -9.415 -38.061 13.040 0.00 0.00 WAT1 ATOM 2349 OH2 TIP3 326 -1.739 -32.261 5.033 0.00 0.00 WAT1 ATOM 2350 H1 TIP3 326 -1.265 -31.966 5.811 0.00 0.00 WAT1 ATOM 2351 H2 TIP3 326 -2.302 -31.523 4.800 0.00 0.00 WAT1 ATOM 2352 OH2 TIP3 327 -7.701 -38.460 3.385 0.00 0.00 WAT1 ATOM 2353 H1 TIP3 327 -7.993 -37.692 2.894 0.00 0.00 WAT1 ATOM 2354 H2 TIP3 327 -8.375 -39.120 3.222 0.00 0.00 WAT1 ATOM 2355 OH2 TIP3 328 6.340 -32.651 14.766 0.00 0.00 WAT1 ATOM 2356 H1 TIP3 328 6.291 -33.606 14.729 0.00 0.00 WAT1 ATOM 2357 H2 TIP3 328 5.514 -32.383 15.168 0.00 0.00 WAT1 ATOM 2358 OH2 TIP3 329 0.835 -30.151 0.451 0.00 0.00 WAT1 ATOM 2359 H1 TIP3 329 1.210 -30.895 -0.020 0.00 0.00 WAT1 ATOM 2360 H2 TIP3 329 0.839 -30.421 1.369 0.00 0.00 WAT1 ATOM 2361 OH2 TIP3 330 0.504 -30.225 3.200 0.00 0.00 WAT1 ATOM 2362 H1 TIP3 330 -0.431 -30.125 3.379 0.00 0.00 WAT1 ATOM 2363 H2 TIP3 330 0.784 -30.934 3.778 0.00 0.00 WAT1 ATOM 2364 OH2 TIP3 331 -6.649 -41.338 10.334 0.00 0.00 WAT1 ATOM 2365 H1 TIP3 331 -7.291 -41.379 11.043 0.00 0.00 WAT1 ATOM 2366 H2 TIP3 331 -6.612 -40.412 10.096 0.00 0.00 WAT1 ATOM 2367 OH2 TIP3 332 -6.652 -41.117 5.246 0.00 0.00 WAT1 ATOM 2368 H1 TIP3 332 -7.545 -41.458 5.187 0.00 0.00 WAT1 ATOM 2369 H2 TIP3 332 -6.201 -41.494 4.490 0.00 0.00 WAT1 ATOM 2370 OH2 TIP3 333 -8.899 -41.018 12.201 0.00 0.00 WAT1 ATOM 2371 H1 TIP3 333 -8.937 -40.618 13.069 0.00 0.00 WAT1 ATOM 2372 H2 TIP3 333 -9.390 -41.835 12.291 0.00 0.00 WAT1 ATOM 2373 OH2 TIP3 334 -12.291 -43.902 6.051 0.00 0.00 WAT1 ATOM 2374 H1 TIP3 334 -11.660 -43.931 6.771 0.00 0.00 WAT1 ATOM 2375 H2 TIP3 334 -11.841 -44.327 5.321 0.00 0.00 WAT1 ATOM 2376 OH2 TIP3 335 -9.242 -42.061 5.159 0.00 0.00 WAT1 ATOM 2377 H1 TIP3 335 -10.131 -41.961 4.819 0.00 0.00 WAT1 ATOM 2378 H2 TIP3 335 -8.946 -42.903 4.813 0.00 0.00 WAT1 ATOM 2379 OH2 TIP3 336 -8.780 -36.309 15.481 0.00 0.00 WAT1 ATOM 2380 H1 TIP3 336 -8.047 -36.055 16.042 0.00 0.00 WAT1 ATOM 2381 H2 TIP3 336 -9.560 -36.105 15.996 0.00 0.00 WAT1 ATOM 2382 OH2 TIP3 337 3.570 -37.168 11.104 0.00 0.00 WAT1 ATOM 2383 H1 TIP3 337 4.212 -36.711 10.561 0.00 0.00 WAT1 ATOM 2384 H2 TIP3 337 2.740 -37.055 10.642 0.00 0.00 WAT1 ATOM 2385 OH2 TIP3 338 -2.060 -36.117 13.555 0.00 0.00 WAT1 ATOM 2386 H1 TIP3 338 -2.406 -36.498 14.361 0.00 0.00 WAT1 ATOM 2387 H2 TIP3 338 -2.260 -35.183 13.626 0.00 0.00 WAT1 ATOM 2388 OH2 TIP3 339 -11.447 -38.545 13.402 0.00 0.00 WAT1 ATOM 2389 H1 TIP3 339 -11.224 -38.963 14.234 0.00 0.00 WAT1 ATOM 2390 H2 TIP3 339 -12.049 -39.158 12.980 0.00 0.00 WAT1 ATOM 2391 OH2 TIP3 340 -4.430 -39.028 15.615 0.00 0.00 WAT1 ATOM 2392 H1 TIP3 340 -4.726 -39.194 14.720 0.00 0.00 WAT1 ATOM 2393 H2 TIP3 340 -3.499 -39.248 15.605 0.00 0.00 WAT1 ATOM 2394 OH2 TIP3 341 5.885 -35.610 14.709 0.00 0.00 WAT1 ATOM 2395 H1 TIP3 341 5.033 -35.372 14.342 0.00 0.00 WAT1 ATOM 2396 H2 TIP3 341 6.475 -35.627 13.956 0.00 0.00 WAT1 ATOM 2397 OH2 TIP3 342 4.217 -32.624 2.337 0.00 0.00 WAT1 ATOM 2398 H1 TIP3 342 3.844 -33.450 2.647 0.00 0.00 WAT1 ATOM 2399 H2 TIP3 342 4.494 -32.807 1.440 0.00 0.00 WAT1 ATOM 2400 OH2 TIP3 343 1.377 -37.816 9.359 0.00 0.00 WAT1 ATOM 2401 H1 TIP3 343 0.449 -38.048 9.332 0.00 0.00 WAT1 ATOM 2402 H2 TIP3 343 1.828 -38.593 9.029 0.00 0.00 WAT1 ATOM 2403 OH2 TIP3 344 -6.080 -33.488 5.492 0.00 0.00 WAT1 ATOM 2404 H1 TIP3 344 -5.553 -32.715 5.291 0.00 0.00 WAT1 ATOM 2405 H2 TIP3 344 -6.960 -33.263 5.190 0.00 0.00 WAT1 ATOM 2406 OH2 TIP3 345 -10.325 -38.626 0.079 0.00 0.00 WAT1 ATOM 2407 H1 TIP3 345 -9.709 -37.999 0.458 0.00 0.00 WAT1 ATOM 2408 H2 TIP3 345 -11.187 -38.310 0.350 0.00 0.00 WAT1 ATOM 2409 OH2 TIP3 346 -4.653 -35.825 5.068 0.00 0.00 WAT1 ATOM 2410 H1 TIP3 346 -4.894 -34.900 5.110 0.00 0.00 WAT1 ATOM 2411 H2 TIP3 346 -5.393 -36.284 5.464 0.00 0.00 WAT1 ATOM 2412 OH2 TIP3 347 -0.594 -35.577 11.084 0.00 0.00 WAT1 ATOM 2413 H1 TIP3 347 -1.020 -35.804 11.910 0.00 0.00 WAT1 ATOM 2414 H2 TIP3 347 -0.013 -36.315 10.901 0.00 0.00 WAT1 ATOM 2415 OH2 TIP3 348 6.113 -30.168 0.359 0.00 0.00 WAT1 ATOM 2416 H1 TIP3 348 6.856 -29.582 0.219 0.00 0.00 WAT1 ATOM 2417 H2 TIP3 348 5.418 -29.600 0.692 0.00 0.00 WAT1 ATOM 2418 OH2 TIP3 349 -9.813 -43.792 12.960 0.00 0.00 WAT1 ATOM 2419 H1 TIP3 349 -10.706 -43.453 12.893 0.00 0.00 WAT1 ATOM 2420 H2 TIP3 349 -9.912 -44.647 13.378 0.00 0.00 WAT1 ATOM 2421 OH2 TIP3 350 2.475 -35.975 2.384 0.00 0.00 WAT1 ATOM 2422 H1 TIP3 350 2.198 -36.703 2.940 0.00 0.00 WAT1 ATOM 2423 H2 TIP3 350 3.402 -35.856 2.590 0.00 0.00 WAT1 ATOM 2424 OH2 TIP3 351 -5.363 -33.966 1.061 0.00 0.00 WAT1 ATOM 2425 H1 TIP3 351 -5.216 -34.486 1.851 0.00 0.00 WAT1 ATOM 2426 H2 TIP3 351 -5.366 -33.059 1.367 0.00 0.00 WAT1 ATOM 2427 OH2 TIP3 352 -8.910 -36.713 1.571 0.00 0.00 WAT1 ATOM 2428 H1 TIP3 352 -9.596 -36.361 2.138 0.00 0.00 WAT1 ATOM 2429 H2 TIP3 352 -8.387 -35.950 1.325 0.00 0.00 WAT1 ATOM 2430 OH2 TIP3 353 -2.625 -32.268 1.810 0.00 0.00 WAT1 ATOM 2431 H1 TIP3 353 -3.442 -31.771 1.863 0.00 0.00 WAT1 ATOM 2432 H2 TIP3 353 -2.096 -31.793 1.170 0.00 0.00 WAT1 ATOM 2433 OH2 TIP3 354 -5.287 -31.225 1.792 0.00 0.00 WAT1 ATOM 2434 H1 TIP3 354 -5.126 -30.425 1.291 0.00 0.00 WAT1 ATOM 2435 H2 TIP3 354 -5.484 -30.918 2.677 0.00 0.00 WAT1 ATOM 2436 OH2 TIP3 355 -8.294 -34.099 0.468 0.00 0.00 WAT1 ATOM 2437 H1 TIP3 355 -7.702 -33.400 0.744 0.00 0.00 WAT1 ATOM 2438 H2 TIP3 355 -7.835 -34.532 -0.251 0.00 0.00 WAT1 ATOM 2439 OH2 TIP3 356 2.342 -31.856 -1.023 0.00 0.00 WAT1 ATOM 2440 H1 TIP3 356 2.625 -32.650 -0.570 0.00 0.00 WAT1 ATOM 2441 H2 TIP3 356 3.082 -31.623 -1.584 0.00 0.00 WAT1 ATOM 2442 OH2 TIP3 357 -11.044 -36.290 16.702 0.00 0.00 WAT1 ATOM 2443 H1 TIP3 357 -10.900 -37.192 16.416 0.00 0.00 WAT1 ATOM 2444 H2 TIP3 357 -11.817 -36.004 16.214 0.00 0.00 WAT1 ATOM 2445 OH2 TIP3 358 -4.389 -36.320 16.135 0.00 0.00 WAT1 ATOM 2446 H1 TIP3 358 -4.717 -36.049 15.277 0.00 0.00 WAT1 ATOM 2447 H2 TIP3 358 -4.237 -37.261 16.047 0.00 0.00 WAT1 ATOM 2448 OH2 TIP3 359 1.346 -36.404 13.518 0.00 0.00 WAT1 ATOM 2449 H1 TIP3 359 2.091 -35.816 13.398 0.00 0.00 WAT1 ATOM 2450 H2 TIP3 359 0.589 -35.822 13.581 0.00 0.00 WAT1 ATOM 2451 OH2 TIP3 360 -10.212 -39.090 16.122 0.00 0.00 WAT1 ATOM 2452 H1 TIP3 360 -9.804 -39.947 16.001 0.00 0.00 WAT1 ATOM 2453 H2 TIP3 360 -10.472 -39.075 17.043 0.00 0.00 WAT1 ATOM 2454 OH2 TIP3 361 -6.265 -40.081 13.496 0.00 0.00 WAT1 ATOM 2455 H1 TIP3 361 -6.883 -39.406 13.777 0.00 0.00 WAT1 ATOM 2456 H2 TIP3 361 -5.921 -39.760 12.663 0.00 0.00 WAT1 ATOM 2457 OH2 TIP3 362 -1.245 -37.610 16.774 0.00 0.00 WAT1 ATOM 2458 H1 TIP3 362 -0.292 -37.526 16.746 0.00 0.00 WAT1 ATOM 2459 H2 TIP3 362 -1.405 -38.321 17.393 0.00 0.00 WAT1 ATOM 2460 OH2 TIP3 363 -3.931 -38.917 12.311 0.00 0.00 WAT1 ATOM 2461 H1 TIP3 363 -3.180 -39.073 11.738 0.00 0.00 WAT1 ATOM 2462 H2 TIP3 363 -4.270 -38.065 12.035 0.00 0.00 WAT1 ATOM 2463 OH2 TIP3 364 1.801 -38.313 15.417 0.00 0.00 WAT1 ATOM 2464 H1 TIP3 364 1.520 -37.604 14.839 0.00 0.00 WAT1 ATOM 2465 H2 TIP3 364 2.744 -38.386 15.266 0.00 0.00 WAT1 ATOM 2466 OH2 TIP3 365 -4.585 -29.040 0.404 0.00 0.00 WAT1 ATOM 2467 H1 TIP3 365 -3.652 -28.882 0.548 0.00 0.00 WAT1 ATOM 2468 H2 TIP3 365 -4.849 -28.365 -0.221 0.00 0.00 WAT1 ATOM 2469 OH2 TIP3 366 -11.017 -34.404 -0.113 0.00 0.00 WAT1 ATOM 2470 H1 TIP3 366 -10.103 -34.325 0.160 0.00 0.00 WAT1 ATOM 2471 H2 TIP3 366 -11.010 -35.091 -0.780 0.00 0.00 WAT1 ATOM 2472 OH2 TIP3 367 6.051 -30.121 9.749 0.00 0.00 WAT1 ATOM 2473 H1 TIP3 367 6.029 -29.936 10.688 0.00 0.00 WAT1 ATOM 2474 H2 TIP3 367 6.741 -29.552 9.408 0.00 0.00 WAT1 ATOM 2475 OH2 TIP3 368 4.065 -34.764 17.309 0.00 0.00 WAT1 ATOM 2476 H1 TIP3 368 3.199 -34.869 17.703 0.00 0.00 WAT1 ATOM 2477 H2 TIP3 368 4.441 -34.005 17.756 0.00 0.00 WAT1 ATOM 2478 OH2 TIP3 369 5.519 -35.669 9.595 0.00 0.00 WAT1 ATOM 2479 H1 TIP3 369 6.353 -36.047 9.314 0.00 0.00 WAT1 ATOM 2480 H2 TIP3 369 5.631 -34.726 9.476 0.00 0.00 WAT1 ATOM 2481 OH2 TIP3 370 4.006 -32.791 11.902 0.00 0.00 WAT1 ATOM 2482 H1 TIP3 370 3.358 -32.466 12.527 0.00 0.00 WAT1 ATOM 2483 H2 TIP3 370 3.488 -33.231 11.227 0.00 0.00 WAT1 ATOM 2484 OH2 TIP3 371 4.403 -37.963 14.849 0.00 0.00 WAT1 ATOM 2485 H1 TIP3 371 4.986 -38.697 15.040 0.00 0.00 WAT1 ATOM 2486 H2 TIP3 371 4.967 -37.191 14.895 0.00 0.00 WAT1 ATOM 2487 OH2 TIP3 372 -10.599 -44.272 8.252 0.00 0.00 WAT1 ATOM 2488 H1 TIP3 372 -10.154 -45.064 8.554 0.00 0.00 WAT1 ATOM 2489 H2 TIP3 372 -10.133 -43.556 8.683 0.00 0.00 WAT1 ATOM 2490 OH2 TIP3 373 -12.295 -41.273 9.321 0.00 0.00 WAT1 ATOM 2491 H1 TIP3 373 -11.803 -41.494 8.531 0.00 0.00 WAT1 ATOM 2492 H2 TIP3 373 -11.933 -40.432 9.602 0.00 0.00 WAT1 ATOM 2493 OH2 TIP3 374 -9.826 -33.102 15.864 0.00 0.00 WAT1 ATOM 2494 H1 TIP3 374 -10.647 -32.927 15.404 0.00 0.00 WAT1 ATOM 2495 H2 TIP3 374 -10.078 -33.175 16.785 0.00 0.00 WAT1 ATOM 2496 OH2 TIP3 375 -7.914 -31.538 7.736 0.00 0.00 WAT1 ATOM 2497 H1 TIP3 375 -8.133 -32.454 7.905 0.00 0.00 WAT1 ATOM 2498 H2 TIP3 375 -7.090 -31.398 8.202 0.00 0.00 WAT1 ATOM 2499 OH2 TIP3 376 -10.804 -31.024 2.252 0.00 0.00 WAT1 ATOM 2500 H1 TIP3 376 -11.489 -31.062 1.584 0.00 0.00 WAT1 ATOM 2501 H2 TIP3 376 -10.801 -30.111 2.540 0.00 0.00 WAT1 ATOM 2502 OH2 TIP3 377 -1.940 -29.814 0.649 0.00 0.00 WAT1 ATOM 2503 H1 TIP3 377 -1.074 -29.448 0.471 0.00 0.00 WAT1 ATOM 2504 H2 TIP3 377 -2.187 -30.254 -0.164 0.00 0.00 WAT1 ATOM 2505 OH2 TIP3 378 4.769 -30.251 3.329 0.00 0.00 WAT1 ATOM 2506 H1 TIP3 378 4.575 -30.999 2.764 0.00 0.00 WAT1 ATOM 2507 H2 TIP3 378 4.730 -29.493 2.745 0.00 0.00 WAT1 ATOM 2508 OH2 TIP3 379 -8.986 -30.104 -0.723 0.00 0.00 WAT1 ATOM 2509 H1 TIP3 379 -9.254 -29.817 0.150 0.00 0.00 WAT1 ATOM 2510 H2 TIP3 379 -8.215 -30.650 -0.571 0.00 0.00 WAT1 ATOM 2511 OH2 TIP3 380 -0.463 -37.614 24.365 0.00 0.00 WAT1 ATOM 2512 H1 TIP3 380 -0.374 -36.670 24.233 0.00 0.00 WAT1 ATOM 2513 H2 TIP3 380 -1.102 -37.889 23.707 0.00 0.00 WAT1 ATOM 2514 OH2 TIP3 381 -1.530 -38.359 27.784 0.00 0.00 WAT1 ATOM 2515 H1 TIP3 381 -1.568 -39.005 28.489 0.00 0.00 WAT1 ATOM 2516 H2 TIP3 381 -1.853 -38.825 27.013 0.00 0.00 WAT1 ATOM 2517 OH2 TIP3 382 2.176 -35.420 26.086 0.00 0.00 WAT1 ATOM 2518 H1 TIP3 382 1.735 -36.140 26.536 0.00 0.00 WAT1 ATOM 2519 H2 TIP3 382 2.163 -34.699 26.716 0.00 0.00 WAT1 ATOM 2520 OH2 TIP3 383 -8.238 -34.294 27.912 0.00 0.00 WAT1 ATOM 2521 H1 TIP3 383 -8.608 -35.096 27.543 0.00 0.00 WAT1 ATOM 2522 H2 TIP3 383 -7.297 -34.463 27.959 0.00 0.00 WAT1 ATOM 2523 OH2 TIP3 384 -3.141 -35.926 28.190 0.00 0.00 WAT1 ATOM 2524 H1 TIP3 384 -2.837 -36.612 27.596 0.00 0.00 WAT1 ATOM 2525 H2 TIP3 384 -2.419 -35.808 28.808 0.00 0.00 WAT1 ATOM 2526 OH2 TIP3 385 -5.069 -39.484 25.768 0.00 0.00 WAT1 ATOM 2527 H1 TIP3 385 -4.453 -40.010 26.277 0.00 0.00 WAT1 ATOM 2528 H2 TIP3 385 -5.655 -40.124 25.364 0.00 0.00 WAT1 ATOM 2529 OH2 TIP3 386 -5.466 -36.837 30.152 0.00 0.00 WAT1 ATOM 2530 H1 TIP3 386 -6.206 -36.239 30.255 0.00 0.00 WAT1 ATOM 2531 H2 TIP3 386 -4.752 -36.283 29.836 0.00 0.00 WAT1 ATOM 2532 OH2 TIP3 387 -7.058 -34.873 30.939 0.00 0.00 WAT1 ATOM 2533 H1 TIP3 387 -7.064 -33.994 30.561 0.00 0.00 WAT1 ATOM 2534 H2 TIP3 387 -7.912 -34.956 31.364 0.00 0.00 WAT1 ATOM 2535 OH2 TIP3 388 -10.937 -35.202 21.721 0.00 0.00 WAT1 ATOM 2536 H1 TIP3 388 -11.209 -34.973 20.832 0.00 0.00 WAT1 ATOM 2537 H2 TIP3 388 -10.892 -34.364 22.181 0.00 0.00 WAT1 ATOM 2538 OH2 TIP3 389 2.688 -33.580 28.434 0.00 0.00 WAT1 ATOM 2539 H1 TIP3 389 1.746 -33.522 28.595 0.00 0.00 WAT1 ATOM 2540 H2 TIP3 389 2.964 -32.674 28.297 0.00 0.00 WAT1 ATOM 2541 OH2 TIP3 390 2.099 -33.898 23.568 0.00 0.00 WAT1 ATOM 2542 H1 TIP3 390 1.842 -34.588 22.956 0.00 0.00 WAT1 ATOM 2543 H2 TIP3 390 2.170 -34.341 24.413 0.00 0.00 WAT1 ATOM 2544 OH2 TIP3 391 -1.742 -38.370 21.817 0.00 0.00 WAT1 ATOM 2545 H1 TIP3 391 -2.454 -37.835 21.466 0.00 0.00 WAT1 ATOM 2546 H2 TIP3 391 -1.051 -38.314 21.157 0.00 0.00 WAT1 ATOM 2547 OH2 TIP3 392 -1.688 -39.912 18.856 0.00 0.00 WAT1 ATOM 2548 H1 TIP3 392 -0.987 -39.890 19.507 0.00 0.00 WAT1 ATOM 2549 H2 TIP3 392 -1.386 -40.540 18.200 0.00 0.00 WAT1 ATOM 2550 OH2 TIP3 393 1.664 -38.160 22.769 0.00 0.00 WAT1 ATOM 2551 H1 TIP3 393 0.932 -37.932 23.342 0.00 0.00 WAT1 ATOM 2552 H2 TIP3 393 2.111 -38.874 23.224 0.00 0.00 WAT1 ATOM 2553 OH2 TIP3 394 -6.691 -37.530 24.652 0.00 0.00 WAT1 ATOM 2554 H1 TIP3 394 -7.021 -37.900 23.833 0.00 0.00 WAT1 ATOM 2555 H2 TIP3 394 -6.103 -38.200 24.998 0.00 0.00 WAT1 ATOM 2556 OH2 TIP3 395 -5.324 -34.102 27.333 0.00 0.00 WAT1 ATOM 2557 H1 TIP3 395 -5.419 -34.680 26.576 0.00 0.00 WAT1 ATOM 2558 H2 TIP3 395 -4.595 -34.473 27.829 0.00 0.00 WAT1 ATOM 2559 OH2 TIP3 396 -6.324 -38.761 28.285 0.00 0.00 WAT1 ATOM 2560 H1 TIP3 396 -5.759 -38.640 27.522 0.00 0.00 WAT1 ATOM 2561 H2 TIP3 396 -6.005 -38.124 28.924 0.00 0.00 WAT1 ATOM 2562 OH2 TIP3 397 -0.015 -33.258 29.019 0.00 0.00 WAT1 ATOM 2563 H1 TIP3 397 -0.256 -32.596 29.667 0.00 0.00 WAT1 ATOM 2564 H2 TIP3 397 -0.213 -34.092 29.444 0.00 0.00 WAT1 ATOM 2565 OH2 TIP3 398 -5.444 -34.362 33.002 0.00 0.00 WAT1 ATOM 2566 H1 TIP3 398 -5.756 -33.580 33.458 0.00 0.00 WAT1 ATOM 2567 H2 TIP3 398 -6.094 -34.515 32.316 0.00 0.00 WAT1 ATOM 2568 OH2 TIP3 399 0.535 -38.998 20.454 0.00 0.00 WAT1 ATOM 2569 H1 TIP3 399 1.114 -38.848 21.201 0.00 0.00 WAT1 ATOM 2570 H2 TIP3 399 0.949 -38.527 19.731 0.00 0.00 WAT1 ATOM 2571 OH2 TIP3 400 -7.205 -32.290 33.766 0.00 0.00 WAT1 ATOM 2572 H1 TIP3 400 -7.197 -32.426 32.818 0.00 0.00 WAT1 ATOM 2573 H2 TIP3 400 -8.121 -32.408 34.018 0.00 0.00 WAT1 ATOM 2574 OH2 TIP3 401 -7.701 -38.460 22.241 0.00 0.00 WAT1 ATOM 2575 H1 TIP3 401 -7.993 -37.692 21.750 0.00 0.00 WAT1 ATOM 2576 H2 TIP3 401 -8.375 -39.120 22.078 0.00 0.00 WAT1 ATOM 2577 OH2 TIP3 402 5.423 -32.882 18.644 0.00 0.00 WAT1 ATOM 2578 H1 TIP3 402 5.496 -31.943 18.814 0.00 0.00 WAT1 ATOM 2579 H2 TIP3 402 6.328 -33.187 18.587 0.00 0.00 WAT1 ATOM 2580 OH2 TIP3 403 -11.857 -33.317 27.940 0.00 0.00 WAT1 ATOM 2581 H1 TIP3 403 -10.911 -33.461 27.921 0.00 0.00 WAT1 ATOM 2582 H2 TIP3 403 -11.970 -32.533 28.477 0.00 0.00 WAT1 ATOM 2583 OH2 TIP3 404 6.340 -32.651 33.622 0.00 0.00 WAT1 ATOM 2584 H1 TIP3 404 6.291 -33.606 33.585 0.00 0.00 WAT1 ATOM 2585 H2 TIP3 404 5.514 -32.383 34.024 0.00 0.00 WAT1 ATOM 2586 OH2 TIP3 405 -2.681 -33.077 32.498 0.00 0.00 WAT1 ATOM 2587 H1 TIP3 405 -2.594 -32.251 32.973 0.00 0.00 WAT1 ATOM 2588 H2 TIP3 405 -3.545 -33.407 32.747 0.00 0.00 WAT1 ATOM 2589 OH2 TIP3 406 -9.359 -34.774 32.099 0.00 0.00 WAT1 ATOM 2590 H1 TIP3 406 -9.142 -35.135 32.959 0.00 0.00 WAT1 ATOM 2591 H2 TIP3 406 -10.214 -35.148 31.889 0.00 0.00 WAT1 ATOM 2592 OH2 TIP3 407 2.012 -37.965 18.084 0.00 0.00 WAT1 ATOM 2593 H1 TIP3 407 2.054 -38.188 17.154 0.00 0.00 WAT1 ATOM 2594 H2 TIP3 407 2.861 -37.567 18.274 0.00 0.00 WAT1 ATOM 2595 OH2 TIP3 408 -1.116 -40.701 22.919 0.00 0.00 WAT1 ATOM 2596 H1 TIP3 408 -1.525 -39.886 22.627 0.00 0.00 WAT1 ATOM 2597 H2 TIP3 408 -0.396 -40.841 22.304 0.00 0.00 WAT1 ATOM 2598 OH2 TIP3 409 3.622 -28.783 34.729 0.00 0.00 WAT1 ATOM 2599 H1 TIP3 409 3.822 -28.359 33.894 0.00 0.00 WAT1 ATOM 2600 H2 TIP3 409 4.278 -28.440 35.336 0.00 0.00 WAT1 ATOM 2601 OH2 TIP3 410 -8.455 -37.006 26.943 0.00 0.00 WAT1 ATOM 2602 H1 TIP3 410 -7.710 -37.008 26.342 0.00 0.00 WAT1 ATOM 2603 H2 TIP3 410 -8.377 -37.830 27.425 0.00 0.00 WAT1 ATOM 2604 OH2 TIP3 411 0.190 -33.655 32.361 0.00 0.00 WAT1 ATOM 2605 H1 TIP3 411 -0.711 -33.472 32.093 0.00 0.00 WAT1 ATOM 2606 H2 TIP3 411 0.224 -33.396 33.282 0.00 0.00 WAT1 ATOM 2607 OH2 TIP3 412 4.217 -32.624 21.193 0.00 0.00 WAT1 ATOM 2608 H1 TIP3 412 3.844 -33.450 21.503 0.00 0.00 WAT1 ATOM 2609 H2 TIP3 412 4.494 -32.807 20.296 0.00 0.00 WAT1 ATOM 2610 OH2 TIP3 413 1.377 -37.816 28.215 0.00 0.00 WAT1 ATOM 2611 H1 TIP3 413 0.449 -38.048 28.188 0.00 0.00 WAT1 ATOM 2612 H2 TIP3 413 1.828 -38.593 27.885 0.00 0.00 WAT1 ATOM 2613 OH2 TIP3 414 -10.325 -38.626 18.935 0.00 0.00 WAT1 ATOM 2614 H1 TIP3 414 -9.709 -37.999 19.314 0.00 0.00 WAT1 ATOM 2615 H2 TIP3 414 -11.187 -38.310 19.206 0.00 0.00 WAT1 ATOM 2616 OH2 TIP3 415 -4.138 -31.676 30.239 0.00 0.00 WAT1 ATOM 2617 H1 TIP3 415 -3.775 -30.821 30.006 0.00 0.00 WAT1 ATOM 2618 H2 TIP3 415 -3.606 -31.968 30.980 0.00 0.00 WAT1 ATOM 2619 OH2 TIP3 416 -0.594 -35.577 29.940 0.00 0.00 WAT1 ATOM 2620 H1 TIP3 416 -1.020 -35.804 30.766 0.00 0.00 WAT1 ATOM 2621 H2 TIP3 416 -0.013 -36.315 29.757 0.00 0.00 WAT1 ATOM 2622 OH2 TIP3 417 1.609 -34.648 19.014 0.00 0.00 WAT1 ATOM 2623 H1 TIP3 417 1.962 -35.028 19.818 0.00 0.00 WAT1 ATOM 2624 H2 TIP3 417 0.660 -34.741 19.100 0.00 0.00 WAT1 ATOM 2625 OH2 TIP3 418 2.065 -31.025 32.409 0.00 0.00 WAT1 ATOM 2626 H1 TIP3 418 1.463 -31.580 31.914 0.00 0.00 WAT1 ATOM 2627 H2 TIP3 418 2.346 -30.358 31.783 0.00 0.00 WAT1 ATOM 2628 OH2 TIP3 419 2.475 -35.975 21.240 0.00 0.00 WAT1 ATOM 2629 H1 TIP3 419 2.198 -36.703 21.796 0.00 0.00 WAT1 ATOM 2630 H2 TIP3 419 3.402 -35.856 21.446 0.00 0.00 WAT1 ATOM 2631 OH2 TIP3 420 -8.910 -36.713 20.427 0.00 0.00 WAT1 ATOM 2632 H1 TIP3 420 -9.596 -36.361 20.994 0.00 0.00 WAT1 ATOM 2633 H2 TIP3 420 -8.387 -35.950 20.181 0.00 0.00 WAT1 ATOM 2634 OH2 TIP3 421 3.335 -30.771 28.376 0.00 0.00 WAT1 ATOM 2635 H1 TIP3 421 3.179 -30.093 27.719 0.00 0.00 WAT1 ATOM 2636 H2 TIP3 421 4.267 -30.699 28.579 0.00 0.00 WAT1 ATOM 2637 OH2 TIP3 422 -10.951 -30.100 34.604 0.00 0.00 WAT1 ATOM 2638 H1 TIP3 422 -10.411 -30.317 35.363 0.00 0.00 WAT1 ATOM 2639 H2 TIP3 422 -11.432 -30.906 34.414 0.00 0.00 WAT1 ATOM 2640 OH2 TIP3 423 -6.354 -31.181 36.224 0.00 0.00 WAT1 ATOM 2641 H1 TIP3 423 -5.586 -31.640 36.565 0.00 0.00 WAT1 ATOM 2642 H2 TIP3 423 -6.375 -31.407 35.294 0.00 0.00 WAT1 ATOM 2643 OH2 TIP3 424 -6.703 -35.946 17.690 0.00 0.00 WAT1 ATOM 2644 H1 TIP3 424 -6.639 -36.740 18.221 0.00 0.00 WAT1 ATOM 2645 H2 TIP3 424 -6.050 -36.065 17.001 0.00 0.00 WAT1 ATOM 2646 OH2 TIP3 425 -5.554 -37.974 19.996 0.00 0.00 WAT1 ATOM 2647 H1 TIP3 425 -6.013 -38.458 20.682 0.00 0.00 WAT1 ATOM 2648 H2 TIP3 425 -5.299 -38.642 19.360 0.00 0.00 WAT1 ATOM 2649 OH2 TIP3 426 -4.483 -39.731 18.259 0.00 0.00 WAT1 ATOM 2650 H1 TIP3 426 -4.663 -39.885 17.331 0.00 0.00 WAT1 ATOM 2651 H2 TIP3 426 -3.532 -39.623 18.303 0.00 0.00 WAT1 ATOM 2652 OH2 TIP3 427 4.907 -37.376 17.704 0.00 0.00 WAT1 ATOM 2653 H1 TIP3 427 4.634 -37.801 16.891 0.00 0.00 WAT1 ATOM 2654 H2 TIP3 427 4.947 -36.445 17.487 0.00 0.00 WAT1 ATOM 2655 OH2 TIP3 428 -11.498 -30.930 25.625 0.00 0.00 WAT1 ATOM 2656 H1 TIP3 428 -11.832 -31.811 25.797 0.00 0.00 WAT1 ATOM 2657 H2 TIP3 428 -11.276 -30.585 26.489 0.00 0.00 WAT1 ATOM 2658 OH2 TIP3 429 5.614 -30.554 31.527 0.00 0.00 WAT1 ATOM 2659 H1 TIP3 429 5.127 -31.289 31.156 0.00 0.00 WAT1 ATOM 2660 H2 TIP3 429 6.163 -30.947 32.205 0.00 0.00 WAT1 ATOM 2661 OH2 TIP3 430 5.366 -36.507 21.679 0.00 0.00 WAT1 ATOM 2662 H1 TIP3 430 6.216 -36.086 21.807 0.00 0.00 WAT1 ATOM 2663 H2 TIP3 430 5.371 -37.247 22.287 0.00 0.00 WAT1 ATOM 2664 OH2 TIP3 431 5.519 -35.669 28.451 0.00 0.00 WAT1 ATOM 2665 H1 TIP3 431 6.353 -36.047 28.170 0.00 0.00 WAT1 ATOM 2666 H2 TIP3 431 5.631 -34.726 28.332 0.00 0.00 WAT1 ATOM 2667 OH2 TIP3 432 4.006 -32.791 30.758 0.00 0.00 WAT1 ATOM 2668 H1 TIP3 432 3.358 -32.466 31.383 0.00 0.00 WAT1 ATOM 2669 H2 TIP3 432 3.488 -33.231 30.083 0.00 0.00 WAT1 ATOM 2670 OH2 TIP3 433 -9.826 -33.102 34.720 0.00 0.00 WAT1 ATOM 2671 H1 TIP3 433 -10.647 -32.927 34.260 0.00 0.00 WAT1 ATOM 2672 H2 TIP3 433 -10.078 -33.175 35.641 0.00 0.00 WAT1 ATOM 2673 OH2 TIP3 434 -2.561 -30.728 33.938 0.00 0.00 WAT1 ATOM 2674 H1 TIP3 434 -2.376 -31.062 34.816 0.00 0.00 WAT1 ATOM 2675 H2 TIP3 434 -1.714 -30.419 33.616 0.00 0.00 WAT1 ATOM 2676 OH2 TIP3 435 -0.216 -29.443 33.182 0.00 0.00 WAT1 ATOM 2677 H1 TIP3 435 0.461 -30.075 32.942 0.00 0.00 WAT1 ATOM 2678 H2 TIP3 435 0.106 -29.041 33.990 0.00 0.00 WAT1 ATOM 2679 OH2 TIP3 436 0.035 -30.505 30.177 0.00 0.00 WAT1 ATOM 2680 H1 TIP3 436 -0.869 -30.340 29.911 0.00 0.00 WAT1 ATOM 2681 H2 TIP3 436 0.464 -29.652 30.111 0.00 0.00 WAT1 ATOM 2682 OH2 TIP3 437 2.640 -28.935 30.472 0.00 0.00 WAT1 ATOM 2683 H1 TIP3 437 2.458 -28.019 30.261 0.00 0.00 WAT1 ATOM 2684 H2 TIP3 437 2.816 -29.345 29.625 0.00 0.00 WAT1 ATOM 2685 OH2 TIP3 438 3.987 -31.500 34.335 0.00 0.00 WAT1 ATOM 2686 H1 TIP3 438 3.205 -31.686 33.815 0.00 0.00 WAT1 ATOM 2687 H2 TIP3 438 3.915 -30.571 34.552 0.00 0.00 WAT1 ATOM 2688 OH2 TIP3 439 -8.613 -30.516 42.941 0.00 0.00 WAT1 ATOM 2689 H1 TIP3 439 -8.461 -30.864 43.820 0.00 0.00 WAT1 ATOM 2690 H2 TIP3 439 -9.464 -30.872 42.686 0.00 0.00 WAT1 ATOM 2691 OH2 TIP3 440 -5.969 -30.803 42.325 0.00 0.00 WAT1 ATOM 2692 H1 TIP3 440 -6.919 -30.698 42.377 0.00 0.00 WAT1 ATOM 2693 H2 TIP3 440 -5.618 -29.983 42.670 0.00 0.00 WAT1 ATOM 2694 OH2 TIP3 441 -5.287 -31.225 39.504 0.00 0.00 WAT1 ATOM 2695 H1 TIP3 441 -5.126 -30.425 39.003 0.00 0.00 WAT1 ATOM 2696 H2 TIP3 441 -5.484 -30.918 40.389 0.00 0.00 WAT1 ATOM 2697 OH2 TIP3 442 -10.240 -32.713 42.130 0.00 0.00 WAT1 ATOM 2698 H1 TIP3 442 -11.072 -32.240 42.157 0.00 0.00 WAT1 ATOM 2699 H2 TIP3 442 -9.694 -32.203 41.531 0.00 0.00 WAT1 ATOM 2700 OH2 TIP3 443 -4.585 -29.040 38.116 0.00 0.00 WAT1 ATOM 2701 H1 TIP3 443 -3.652 -28.882 38.260 0.00 0.00 WAT1 ATOM 2702 H2 TIP3 443 -4.849 -28.365 37.491 0.00 0.00 WAT1 ATOM 2703 OH2 TIP3 444 -12.368 -29.011 42.676 0.00 0.00 WAT1 ATOM 2704 H1 TIP3 444 -13.015 -29.473 42.143 0.00 0.00 WAT1 ATOM 2705 H2 TIP3 444 -12.013 -29.683 43.259 0.00 0.00 WAT1 ATOM 2706 OH2 TIP3 445 -11.498 -30.930 44.481 0.00 0.00 WAT1 ATOM 2707 H1 TIP3 445 -11.832 -31.811 44.653 0.00 0.00 WAT1 ATOM 2708 H2 TIP3 445 -11.276 -30.585 45.345 0.00 0.00 WAT1 ATOM 2709 OH2 TIP3 446 -10.804 -31.024 39.964 0.00 0.00 WAT1 ATOM 2710 H1 TIP3 446 -11.489 -31.062 39.296 0.00 0.00 WAT1 ATOM 2711 H2 TIP3 446 -10.801 -30.111 40.252 0.00 0.00 WAT1 ATOM 2712 OH2 TIP3 447 -8.986 -30.104 36.989 0.00 0.00 WAT1 ATOM 2713 H1 TIP3 447 -9.254 -29.817 37.862 0.00 0.00 WAT1 ATOM 2714 H2 TIP3 447 -8.215 -30.650 37.141 0.00 0.00 WAT1 ATOM 2715 OH2 TIP3 448 -9.162 -19.888 -8.335 0.00 0.00 WAT1 ATOM 2716 H1 TIP3 448 -9.120 -20.514 -7.611 0.00 0.00 WAT1 ATOM 2717 H2 TIP3 448 -8.459 -19.265 -8.153 0.00 0.00 WAT1 ATOM 2718 OH2 TIP3 449 -8.238 -15.438 -9.800 0.00 0.00 WAT1 ATOM 2719 H1 TIP3 449 -8.608 -16.240 -10.169 0.00 0.00 WAT1 ATOM 2720 H2 TIP3 449 -7.297 -15.607 -9.753 0.00 0.00 WAT1 ATOM 2721 OH2 TIP3 450 -3.141 -17.070 -9.522 0.00 0.00 WAT1 ATOM 2722 H1 TIP3 450 -2.837 -17.756 -10.116 0.00 0.00 WAT1 ATOM 2723 H2 TIP3 450 -2.419 -16.952 -8.904 0.00 0.00 WAT1 ATOM 2724 OH2 TIP3 451 0.000 -22.676 -9.194 0.00 0.00 WAT1 ATOM 2725 H1 TIP3 451 0.143 -23.623 -9.174 0.00 0.00 WAT1 ATOM 2726 H2 TIP3 451 -0.106 -22.469 -10.123 0.00 0.00 WAT1 ATOM 2727 OH2 TIP3 452 -10.225 -22.178 -11.160 0.00 0.00 WAT1 ATOM 2728 H1 TIP3 452 -9.571 -22.728 -10.728 0.00 0.00 WAT1 ATOM 2729 H2 TIP3 452 -10.201 -22.452 -12.076 0.00 0.00 WAT1 ATOM 2730 OH2 TIP3 453 -8.035 -25.657 -7.848 0.00 0.00 WAT1 ATOM 2731 H1 TIP3 453 -8.254 -25.127 -8.614 0.00 0.00 WAT1 ATOM 2732 H2 TIP3 453 -8.703 -25.430 -7.200 0.00 0.00 WAT1 ATOM 2733 OH2 TIP3 454 -5.466 -17.981 -7.560 0.00 0.00 WAT1 ATOM 2734 H1 TIP3 454 -6.206 -17.383 -7.457 0.00 0.00 WAT1 ATOM 2735 H2 TIP3 454 -4.752 -17.427 -7.876 0.00 0.00 WAT1 ATOM 2736 OH2 TIP3 455 -8.441 -23.765 -9.895 0.00 0.00 WAT1 ATOM 2737 H1 TIP3 455 -7.828 -23.132 -9.522 0.00 0.00 WAT1 ATOM 2738 H2 TIP3 455 -7.929 -24.237 -10.552 0.00 0.00 WAT1 ATOM 2739 OH2 TIP3 456 2.688 -14.724 -9.278 0.00 0.00 WAT1 ATOM 2740 H1 TIP3 456 1.746 -14.666 -9.117 0.00 0.00 WAT1 ATOM 2741 H2 TIP3 456 2.964 -13.818 -9.415 0.00 0.00 WAT1 ATOM 2742 OH2 TIP3 457 0.940 -12.943 -12.653 0.00 0.00 WAT1 ATOM 2743 H1 TIP3 457 1.365 -13.650 -13.138 0.00 0.00 WAT1 ATOM 2744 H2 TIP3 457 1.257 -12.142 -13.070 0.00 0.00 WAT1 ATOM 2745 OH2 TIP3 458 3.785 -16.476 -5.667 0.00 0.00 WAT1 ATOM 2746 H1 TIP3 458 3.925 -17.067 -6.406 0.00 0.00 WAT1 ATOM 2747 H2 TIP3 458 3.953 -15.603 -6.023 0.00 0.00 WAT1 ATOM 2748 OH2 TIP3 459 1.561 -21.130 -5.875 0.00 0.00 WAT1 ATOM 2749 H1 TIP3 459 1.641 -20.367 -5.303 0.00 0.00 WAT1 ATOM 2750 H2 TIP3 459 0.960 -20.851 -6.566 0.00 0.00 WAT1 ATOM 2751 OH2 TIP3 460 -5.324 -15.246 -10.379 0.00 0.00 WAT1 ATOM 2752 H1 TIP3 460 -5.419 -15.824 -11.136 0.00 0.00 WAT1 ATOM 2753 H2 TIP3 460 -4.595 -15.617 -9.883 0.00 0.00 WAT1 ATOM 2754 OH2 TIP3 461 -6.324 -19.905 -9.427 0.00 0.00 WAT1 ATOM 2755 H1 TIP3 461 -5.759 -19.784 -10.190 0.00 0.00 WAT1 ATOM 2756 H2 TIP3 461 -6.005 -19.268 -8.788 0.00 0.00 WAT1 ATOM 2757 OH2 TIP3 462 -0.015 -14.402 -8.693 0.00 0.00 WAT1 ATOM 2758 H1 TIP3 462 -0.256 -13.740 -8.045 0.00 0.00 WAT1 ATOM 2759 H2 TIP3 462 -0.213 -15.236 -8.268 0.00 0.00 WAT1 ATOM 2760 OH2 TIP3 463 -1.739 -13.405 -13.823 0.00 0.00 WAT1 ATOM 2761 H1 TIP3 463 -1.265 -13.110 -13.045 0.00 0.00 WAT1 ATOM 2762 H2 TIP3 463 -2.302 -12.667 -14.056 0.00 0.00 WAT1 ATOM 2763 OH2 TIP3 464 -11.857 -14.461 -9.772 0.00 0.00 WAT1 ATOM 2764 H1 TIP3 464 -10.911 -14.605 -9.791 0.00 0.00 WAT1 ATOM 2765 H2 TIP3 464 -11.970 -13.677 -9.235 0.00 0.00 WAT1 ATOM 2766 OH2 TIP3 465 -2.267 -10.449 -15.408 0.00 0.00 WAT1 ATOM 2767 H1 TIP3 465 -2.342 -10.570 -16.354 0.00 0.00 WAT1 ATOM 2768 H2 TIP3 465 -2.234 -9.499 -15.289 0.00 0.00 WAT1 ATOM 2769 OH2 TIP3 466 -8.613 -11.660 -13.627 0.00 0.00 WAT1 ATOM 2770 H1 TIP3 466 -8.461 -12.008 -12.748 0.00 0.00 WAT1 ATOM 2771 H2 TIP3 466 -9.464 -12.016 -13.882 0.00 0.00 WAT1 ATOM 2772 OH2 TIP3 467 0.504 -11.369 -15.656 0.00 0.00 WAT1 ATOM 2773 H1 TIP3 467 -0.431 -11.269 -15.477 0.00 0.00 WAT1 ATOM 2774 H2 TIP3 467 0.784 -12.078 -15.078 0.00 0.00 WAT1 ATOM 2775 OH2 TIP3 468 3.492 -22.302 -3.610 0.00 0.00 WAT1 ATOM 2776 H1 TIP3 468 3.085 -21.821 -4.330 0.00 0.00 WAT1 ATOM 2777 H2 TIP3 468 3.533 -23.207 -3.917 0.00 0.00 WAT1 ATOM 2778 OH2 TIP3 469 1.249 -23.970 -5.389 0.00 0.00 WAT1 ATOM 2779 H1 TIP3 469 0.735 -24.096 -4.592 0.00 0.00 WAT1 ATOM 2780 H2 TIP3 469 1.094 -23.058 -5.634 0.00 0.00 WAT1 ATOM 2781 OH2 TIP3 470 -6.649 -22.482 -8.522 0.00 0.00 WAT1 ATOM 2782 H1 TIP3 470 -7.291 -22.523 -7.813 0.00 0.00 WAT1 ATOM 2783 H2 TIP3 470 -6.612 -21.556 -8.760 0.00 0.00 WAT1 ATOM 2784 OH2 TIP3 471 -8.899 -22.162 -6.655 0.00 0.00 WAT1 ATOM 2785 H1 TIP3 471 -8.937 -21.762 -5.787 0.00 0.00 WAT1 ATOM 2786 H2 TIP3 471 -9.390 -22.979 -6.565 0.00 0.00 WAT1 ATOM 2787 OH2 TIP3 472 -0.848 -20.761 -7.308 0.00 0.00 WAT1 ATOM 2788 H1 TIP3 472 -0.524 -21.392 -7.951 0.00 0.00 WAT1 ATOM 2789 H2 TIP3 472 -1.288 -21.296 -6.647 0.00 0.00 WAT1 ATOM 2790 OH2 TIP3 473 3.622 -9.927 -2.983 0.00 0.00 WAT1 ATOM 2791 H1 TIP3 473 3.822 -9.503 -3.818 0.00 0.00 WAT1 ATOM 2792 H2 TIP3 473 4.278 -9.584 -2.376 0.00 0.00 WAT1 ATOM 2793 OH2 TIP3 474 -4.124 -23.658 -8.223 0.00 0.00 WAT1 ATOM 2794 H1 TIP3 474 -4.959 -23.204 -8.113 0.00 0.00 WAT1 ATOM 2795 H2 TIP3 474 -3.600 -23.382 -7.471 0.00 0.00 WAT1 ATOM 2796 OH2 TIP3 475 3.570 -18.312 -7.752 0.00 0.00 WAT1 ATOM 2797 H1 TIP3 475 4.212 -17.855 -8.295 0.00 0.00 WAT1 ATOM 2798 H2 TIP3 475 2.740 -18.199 -8.214 0.00 0.00 WAT1 ATOM 2799 OH2 TIP3 476 -2.060 -17.261 -5.301 0.00 0.00 WAT1 ATOM 2800 H1 TIP3 476 -2.406 -17.642 -4.495 0.00 0.00 WAT1 ATOM 2801 H2 TIP3 476 -2.260 -16.327 -5.230 0.00 0.00 WAT1 ATOM 2802 OH2 TIP3 477 -8.455 -18.150 -10.769 0.00 0.00 WAT1 ATOM 2803 H1 TIP3 477 -7.710 -18.152 -11.370 0.00 0.00 WAT1 ATOM 2804 H2 TIP3 477 -8.377 -18.974 -10.287 0.00 0.00 WAT1 ATOM 2805 OH2 TIP3 478 5.885 -16.754 -4.147 0.00 0.00 WAT1 ATOM 2806 H1 TIP3 478 5.033 -16.516 -4.514 0.00 0.00 WAT1 ATOM 2807 H2 TIP3 478 6.475 -16.771 -4.900 0.00 0.00 WAT1 ATOM 2808 OH2 TIP3 479 -6.080 -14.632 -13.364 0.00 0.00 WAT1 ATOM 2809 H1 TIP3 479 -5.553 -13.859 -13.565 0.00 0.00 WAT1 ATOM 2810 H2 TIP3 479 -6.960 -14.407 -13.666 0.00 0.00 WAT1 ATOM 2811 OH2 TIP3 480 -5.969 -11.947 -14.243 0.00 0.00 WAT1 ATOM 2812 H1 TIP3 480 -6.919 -11.842 -14.191 0.00 0.00 WAT1 ATOM 2813 H2 TIP3 480 -5.618 -11.127 -13.898 0.00 0.00 WAT1 ATOM 2814 OH2 TIP3 481 -0.594 -16.721 -7.772 0.00 0.00 WAT1 ATOM 2815 H1 TIP3 481 -1.020 -16.948 -6.946 0.00 0.00 WAT1 ATOM 2816 H2 TIP3 481 -0.013 -17.459 -7.955 0.00 0.00 WAT1 ATOM 2817 OH2 TIP3 482 2.065 -12.169 -5.303 0.00 0.00 WAT1 ATOM 2818 H1 TIP3 482 1.463 -12.724 -5.798 0.00 0.00 WAT1 ATOM 2819 H2 TIP3 482 2.346 -11.502 -5.929 0.00 0.00 WAT1 ATOM 2820 OH2 TIP3 483 -9.813 -24.936 -5.896 0.00 0.00 WAT1 ATOM 2821 H1 TIP3 483 -10.706 -24.597 -5.963 0.00 0.00 WAT1 ATOM 2822 H2 TIP3 483 -9.912 -25.791 -5.478 0.00 0.00 WAT1 ATOM 2823 OH2 TIP3 484 -10.162 -13.131 -7.461 0.00 0.00 WAT1 ATOM 2824 H1 TIP3 484 -9.945 -14.063 -7.492 0.00 0.00 WAT1 ATOM 2825 H2 TIP3 484 -9.915 -12.857 -6.577 0.00 0.00 WAT1 ATOM 2826 OH2 TIP3 485 -1.078 -25.195 -7.006 0.00 0.00 WAT1 ATOM 2827 H1 TIP3 485 -0.380 -25.121 -6.356 0.00 0.00 WAT1 ATOM 2828 H2 TIP3 485 -1.459 -26.059 -6.851 0.00 0.00 WAT1 ATOM 2829 OH2 TIP3 486 -2.558 -22.829 -5.889 0.00 0.00 WAT1 ATOM 2830 H1 TIP3 486 -2.439 -22.255 -5.132 0.00 0.00 WAT1 ATOM 2831 H2 TIP3 486 -1.903 -23.517 -5.774 0.00 0.00 WAT1 ATOM 2832 OH2 TIP3 487 3.646 -24.922 -5.054 0.00 0.00 WAT1 ATOM 2833 H1 TIP3 487 2.730 -24.659 -5.142 0.00 0.00 WAT1 ATOM 2834 H2 TIP3 487 3.982 -24.925 -5.951 0.00 0.00 WAT1 ATOM 2835 OH2 TIP3 488 3.335 -11.915 -9.336 0.00 0.00 WAT1 ATOM 2836 H1 TIP3 488 3.179 -11.237 -9.993 0.00 0.00 WAT1 ATOM 2837 H2 TIP3 488 4.267 -11.843 -9.133 0.00 0.00 WAT1 ATOM 2838 OH2 TIP3 489 1.346 -17.548 -5.338 0.00 0.00 WAT1 ATOM 2839 H1 TIP3 489 2.091 -16.960 -5.458 0.00 0.00 WAT1 ATOM 2840 H2 TIP3 489 0.589 -16.966 -5.275 0.00 0.00 WAT1 ATOM 2841 OH2 TIP3 490 -5.925 -23.870 -4.277 0.00 0.00 WAT1 ATOM 2842 H1 TIP3 490 -5.775 -24.599 -4.880 0.00 0.00 WAT1 ATOM 2843 H2 TIP3 490 -5.923 -23.093 -4.836 0.00 0.00 WAT1 ATOM 2844 OH2 TIP3 491 -5.513 -25.500 -6.785 0.00 0.00 WAT1 ATOM 2845 H1 TIP3 491 -4.977 -25.049 -7.437 0.00 0.00 WAT1 ATOM 2846 H2 TIP3 491 -6.365 -25.608 -7.207 0.00 0.00 WAT1 ATOM 2847 OH2 TIP3 492 -3.931 -20.061 -6.545 0.00 0.00 WAT1 ATOM 2848 H1 TIP3 492 -3.180 -20.217 -7.118 0.00 0.00 WAT1 ATOM 2849 H2 TIP3 492 -4.270 -19.209 -6.821 0.00 0.00 WAT1 ATOM 2850 OH2 TIP3 493 -7.447 -22.672 -2.366 0.00 0.00 WAT1 ATOM 2851 H1 TIP3 493 -8.214 -23.204 -2.576 0.00 0.00 WAT1 ATOM 2852 H2 TIP3 493 -6.768 -22.982 -2.965 0.00 0.00 WAT1 ATOM 2853 OH2 TIP3 494 -0.727 -24.595 -3.714 0.00 0.00 WAT1 ATOM 2854 H1 TIP3 494 -1.675 -24.563 -3.582 0.00 0.00 WAT1 ATOM 2855 H2 TIP3 494 -0.415 -25.220 -3.060 0.00 0.00 WAT1 ATOM 2856 OH2 TIP3 495 0.907 -25.961 -1.709 0.00 0.00 WAT1 ATOM 2857 H1 TIP3 495 0.810 -26.913 -1.715 0.00 0.00 WAT1 ATOM 2858 H2 TIP3 495 0.585 -25.692 -0.848 0.00 0.00 WAT1 ATOM 2859 OH2 TIP3 496 -9.266 -24.751 -2.661 0.00 0.00 WAT1 ATOM 2860 H1 TIP3 496 -9.055 -25.458 -3.272 0.00 0.00 WAT1 ATOM 2861 H2 TIP3 496 -9.378 -25.189 -1.817 0.00 0.00 WAT1 ATOM 2862 OH2 TIP3 497 -4.132 -27.067 -1.628 0.00 0.00 WAT1 ATOM 2863 H1 TIP3 497 -4.263 -27.543 -2.449 0.00 0.00 WAT1 ATOM 2864 H2 TIP3 497 -4.731 -26.323 -1.684 0.00 0.00 WAT1 ATOM 2865 OH2 TIP3 498 6.051 -11.265 -9.107 0.00 0.00 WAT1 ATOM 2866 H1 TIP3 498 6.029 -11.080 -8.168 0.00 0.00 WAT1 ATOM 2867 H2 TIP3 498 6.741 -10.696 -9.448 0.00 0.00 WAT1 ATOM 2868 OH2 TIP3 499 5.614 -11.698 -6.185 0.00 0.00 WAT1 ATOM 2869 H1 TIP3 499 5.127 -12.433 -6.556 0.00 0.00 WAT1 ATOM 2870 H2 TIP3 499 6.163 -12.091 -5.507 0.00 0.00 WAT1 ATOM 2871 OH2 TIP3 500 4.065 -15.908 -1.547 0.00 0.00 WAT1 ATOM 2872 H1 TIP3 500 3.199 -16.013 -1.153 0.00 0.00 WAT1 ATOM 2873 H2 TIP3 500 4.441 -15.149 -1.100 0.00 0.00 WAT1 ATOM 2874 OH2 TIP3 501 4.006 -13.935 -6.954 0.00 0.00 WAT1 ATOM 2875 H1 TIP3 501 3.358 -13.610 -6.329 0.00 0.00 WAT1 ATOM 2876 H2 TIP3 501 3.488 -14.375 -7.629 0.00 0.00 WAT1 ATOM 2877 OH2 TIP3 502 -11.418 -18.999 -9.636 0.00 0.00 WAT1 ATOM 2878 H1 TIP3 502 -11.234 -19.081 -10.571 0.00 0.00 WAT1 ATOM 2879 H2 TIP3 502 -10.569 -19.123 -9.212 0.00 0.00 WAT1 ATOM 2880 OH2 TIP3 503 4.403 -19.107 -4.007 0.00 0.00 WAT1 ATOM 2881 H1 TIP3 503 4.986 -19.841 -3.816 0.00 0.00 WAT1 ATOM 2882 H2 TIP3 503 4.967 -18.335 -3.961 0.00 0.00 WAT1 ATOM 2883 OH2 TIP3 504 5.900 -21.204 -3.323 0.00 0.00 WAT1 ATOM 2884 H1 TIP3 504 5.037 -21.583 -3.488 0.00 0.00 WAT1 ATOM 2885 H2 TIP3 504 6.504 -21.943 -3.397 0.00 0.00 WAT1 ATOM 2886 OH2 TIP3 505 3.898 -22.176 -6.972 0.00 0.00 WAT1 ATOM 2887 H1 TIP3 505 3.055 -21.908 -6.606 0.00 0.00 WAT1 ATOM 2888 H2 TIP3 505 4.341 -21.354 -7.183 0.00 0.00 WAT1 ATOM 2889 OH2 TIP3 506 -11.820 -23.728 -3.495 0.00 0.00 WAT1 ATOM 2890 H1 TIP3 506 -10.901 -23.850 -3.259 0.00 0.00 WAT1 ATOM 2891 H2 TIP3 506 -12.270 -24.478 -3.106 0.00 0.00 WAT1 ATOM 2892 OH2 TIP3 507 6.181 -28.196 -1.618 0.00 0.00 WAT1 ATOM 2893 H1 TIP3 507 6.531 -28.850 -2.224 0.00 0.00 WAT1 ATOM 2894 H2 TIP3 507 6.328 -27.359 -2.058 0.00 0.00 WAT1 ATOM 2895 OH2 TIP3 508 -12.295 -22.417 -9.535 0.00 0.00 WAT1 ATOM 2896 H1 TIP3 508 -11.803 -22.638 -10.325 0.00 0.00 WAT1 ATOM 2897 H2 TIP3 508 -11.933 -21.576 -9.254 0.00 0.00 WAT1 ATOM 2898 OH2 TIP3 509 5.701 -26.087 -3.269 0.00 0.00 WAT1 ATOM 2899 H1 TIP3 509 4.784 -25.816 -3.305 0.00 0.00 WAT1 ATOM 2900 H2 TIP3 509 5.824 -26.622 -4.053 0.00 0.00 WAT1 ATOM 2901 OH2 TIP3 510 2.789 -11.175 -13.535 0.00 0.00 WAT1 ATOM 2902 H1 TIP3 510 3.442 -11.522 -14.143 0.00 0.00 WAT1 ATOM 2903 H2 TIP3 510 3.300 -10.686 -12.889 0.00 0.00 WAT1 ATOM 2904 OH2 TIP3 511 2.640 -10.079 -7.240 0.00 0.00 WAT1 ATOM 2905 H1 TIP3 511 2.458 -9.163 -7.451 0.00 0.00 WAT1 ATOM 2906 H2 TIP3 511 2.816 -10.489 -8.087 0.00 0.00 WAT1 ATOM 2907 OH2 TIP3 512 -10.055 -11.392 -9.775 0.00 0.00 WAT1 ATOM 2908 H1 TIP3 512 -10.074 -11.817 -8.918 0.00 0.00 WAT1 ATOM 2909 H2 TIP3 512 -9.250 -11.710 -10.184 0.00 0.00 WAT1 ATOM 2910 OH2 TIP3 513 -7.914 -12.682 -11.120 0.00 0.00 WAT1 ATOM 2911 H1 TIP3 513 -8.133 -13.598 -10.951 0.00 0.00 WAT1 ATOM 2912 H2 TIP3 513 -7.090 -12.542 -10.654 0.00 0.00 WAT1 ATOM 2913 OH2 TIP3 514 -5.377 -12.212 -10.272 0.00 0.00 WAT1 ATOM 2914 H1 TIP3 514 -5.164 -13.100 -10.559 0.00 0.00 WAT1 ATOM 2915 H2 TIP3 514 -5.312 -12.246 -9.317 0.00 0.00 WAT1 ATOM 2916 OH2 TIP3 515 -9.584 -27.400 -3.788 0.00 0.00 WAT1 ATOM 2917 H1 TIP3 515 -9.950 -28.165 -3.345 0.00 0.00 WAT1 ATOM 2918 H2 TIP3 515 -8.671 -27.371 -3.501 0.00 0.00 WAT1 ATOM 2919 OH2 TIP3 516 -7.611 -28.049 -2.252 0.00 0.00 WAT1 ATOM 2920 H1 TIP3 516 -6.712 -28.323 -2.437 0.00 0.00 WAT1 ATOM 2921 H2 TIP3 516 -7.997 -28.792 -1.788 0.00 0.00 WAT1 ATOM 2922 OH2 TIP3 517 0.811 -28.717 -2.070 0.00 0.00 WAT1 ATOM 2923 H1 TIP3 517 0.887 -29.143 -1.216 0.00 0.00 WAT1 ATOM 2924 H2 TIP3 517 1.704 -28.703 -2.412 0.00 0.00 WAT1 ATOM 2925 OH2 TIP3 518 3.987 -12.644 -3.377 0.00 0.00 WAT1 ATOM 2926 H1 TIP3 518 3.205 -12.830 -3.897 0.00 0.00 WAT1 ATOM 2927 H2 TIP3 518 3.915 -11.715 -3.160 0.00 0.00 WAT1 ATOM 2928 OH2 TIP3 519 4.233 -28.392 1.411 0.00 0.00 WAT1 ATOM 2929 H1 TIP3 519 3.334 -28.253 1.706 0.00 0.00 WAT1 ATOM 2930 H2 TIP3 519 4.485 -27.561 1.009 0.00 0.00 WAT1 ATOM 2931 OH2 TIP3 520 5.423 -14.026 -0.212 0.00 0.00 WAT1 ATOM 2932 H1 TIP3 520 5.496 -13.087 -0.042 0.00 0.00 WAT1 ATOM 2933 H2 TIP3 520 6.328 -14.331 -0.269 0.00 0.00 WAT1 ATOM 2934 OH2 TIP3 521 -2.267 -10.449 3.448 0.00 0.00 WAT1 ATOM 2935 H1 TIP3 521 -2.342 -10.570 2.502 0.00 0.00 WAT1 ATOM 2936 H2 TIP3 521 -2.234 -9.499 3.567 0.00 0.00 WAT1 ATOM 2937 OH2 TIP3 522 0.835 -11.295 0.451 0.00 0.00 WAT1 ATOM 2938 H1 TIP3 522 1.210 -12.039 -0.020 0.00 0.00 WAT1 ATOM 2939 H2 TIP3 522 0.839 -11.565 1.369 0.00 0.00 WAT1 ATOM 2940 OH2 TIP3 523 0.504 -11.369 3.200 0.00 0.00 WAT1 ATOM 2941 H1 TIP3 523 -0.431 -11.269 3.379 0.00 0.00 WAT1 ATOM 2942 H2 TIP3 523 0.784 -12.078 3.778 0.00 0.00 WAT1 ATOM 2943 OH2 TIP3 524 -2.415 -25.233 -0.102 0.00 0.00 WAT1 ATOM 2944 H1 TIP3 524 -2.669 -25.214 0.821 0.00 0.00 WAT1 ATOM 2945 H2 TIP3 524 -2.672 -26.105 -0.403 0.00 0.00 WAT1 ATOM 2946 OH2 TIP3 525 -5.533 -24.788 -1.001 0.00 0.00 WAT1 ATOM 2947 H1 TIP3 525 -5.964 -25.233 -0.271 0.00 0.00 WAT1 ATOM 2948 H2 TIP3 525 -6.251 -24.416 -1.513 0.00 0.00 WAT1 ATOM 2949 OH2 TIP3 526 4.217 -13.768 2.337 0.00 0.00 WAT1 ATOM 2950 H1 TIP3 526 3.844 -14.594 2.647 0.00 0.00 WAT1 ATOM 2951 H2 TIP3 526 4.494 -13.951 1.440 0.00 0.00 WAT1 ATOM 2952 OH2 TIP3 527 -5.969 -11.947 4.613 0.00 0.00 WAT1 ATOM 2953 H1 TIP3 527 -6.919 -11.842 4.665 0.00 0.00 WAT1 ATOM 2954 H2 TIP3 527 -5.618 -11.127 4.958 0.00 0.00 WAT1 ATOM 2955 OH2 TIP3 528 -2.625 -13.412 1.810 0.00 0.00 WAT1 ATOM 2956 H1 TIP3 528 -3.442 -12.915 1.863 0.00 0.00 WAT1 ATOM 2957 H2 TIP3 528 -2.096 -12.937 1.170 0.00 0.00 WAT1 ATOM 2958 OH2 TIP3 529 2.342 -13.000 -1.023 0.00 0.00 WAT1 ATOM 2959 H1 TIP3 529 2.625 -13.794 -0.570 0.00 0.00 WAT1 ATOM 2960 H2 TIP3 529 3.082 -12.767 -1.584 0.00 0.00 WAT1 ATOM 2961 OH2 TIP3 530 -12.368 -10.155 4.964 0.00 0.00 WAT1 ATOM 2962 H1 TIP3 530 -13.015 -10.617 4.431 0.00 0.00 WAT1 ATOM 2963 H2 TIP3 530 -12.013 -10.827 5.547 0.00 0.00 WAT1 ATOM 2964 OH2 TIP3 531 5.737 -26.164 0.249 0.00 0.00 WAT1 ATOM 2965 H1 TIP3 531 6.150 -26.885 -0.227 0.00 0.00 WAT1 ATOM 2966 H2 TIP3 531 6.419 -25.494 0.307 0.00 0.00 WAT1 ATOM 2967 OH2 TIP3 532 -7.003 -10.415 11.200 0.00 0.00 WAT1 ATOM 2968 H1 TIP3 532 -7.868 -10.343 11.604 0.00 0.00 WAT1 ATOM 2969 H2 TIP3 532 -7.058 -9.868 10.416 0.00 0.00 WAT1 ATOM 2970 OH2 TIP3 533 -1.940 -10.958 0.649 0.00 0.00 WAT1 ATOM 2971 H1 TIP3 533 -1.074 -10.592 0.471 0.00 0.00 WAT1 ATOM 2972 H2 TIP3 533 -2.187 -11.398 -0.164 0.00 0.00 WAT1 ATOM 2973 OH2 TIP3 534 4.769 -11.395 3.329 0.00 0.00 WAT1 ATOM 2974 H1 TIP3 534 4.575 -12.143 2.764 0.00 0.00 WAT1 ATOM 2975 H2 TIP3 534 4.730 -10.637 2.745 0.00 0.00 WAT1 ATOM 2976 OH2 TIP3 535 2.988 -26.438 29.851 0.00 0.00 WAT1 ATOM 2977 H1 TIP3 535 2.252 -25.827 29.813 0.00 0.00 WAT1 ATOM 2978 H2 TIP3 535 3.672 -26.023 29.325 0.00 0.00 WAT1 ATOM 2979 OH2 TIP3 536 -5.324 -15.246 27.333 0.00 0.00 WAT1 ATOM 2980 H1 TIP3 536 -5.419 -15.824 26.576 0.00 0.00 WAT1 ATOM 2981 H2 TIP3 536 -4.595 -15.617 27.829 0.00 0.00 WAT1 ATOM 2982 OH2 TIP3 537 -5.444 -15.506 33.002 0.00 0.00 WAT1 ATOM 2983 H1 TIP3 537 -5.756 -14.724 33.458 0.00 0.00 WAT1 ATOM 2984 H2 TIP3 537 -6.094 -15.659 32.316 0.00 0.00 WAT1 ATOM 2985 OH2 TIP3 538 -7.205 -13.434 33.766 0.00 0.00 WAT1 ATOM 2986 H1 TIP3 538 -7.197 -13.570 32.818 0.00 0.00 WAT1 ATOM 2987 H2 TIP3 538 -8.121 -13.552 34.018 0.00 0.00 WAT1 ATOM 2988 OH2 TIP3 539 6.340 -13.795 33.622 0.00 0.00 WAT1 ATOM 2989 H1 TIP3 539 6.291 -14.750 33.585 0.00 0.00 WAT1 ATOM 2990 H2 TIP3 539 5.514 -13.527 34.024 0.00 0.00 WAT1 ATOM 2991 OH2 TIP3 540 -2.681 -14.221 32.498 0.00 0.00 WAT1 ATOM 2992 H1 TIP3 540 -2.594 -13.395 32.973 0.00 0.00 WAT1 ATOM 2993 H2 TIP3 540 -3.545 -14.551 32.747 0.00 0.00 WAT1 ATOM 2994 OH2 TIP3 541 -8.613 -11.660 24.085 0.00 0.00 WAT1 ATOM 2995 H1 TIP3 541 -8.461 -12.008 24.964 0.00 0.00 WAT1 ATOM 2996 H2 TIP3 541 -9.464 -12.016 23.830 0.00 0.00 WAT1 ATOM 2997 OH2 TIP3 542 3.492 -22.302 34.102 0.00 0.00 WAT1 ATOM 2998 H1 TIP3 542 3.085 -21.821 33.382 0.00 0.00 WAT1 ATOM 2999 H2 TIP3 542 3.533 -23.207 33.795 0.00 0.00 WAT1 ATOM 3000 OH2 TIP3 543 5.885 -16.754 33.565 0.00 0.00 WAT1 ATOM 3001 H1 TIP3 543 5.033 -16.516 33.198 0.00 0.00 WAT1 ATOM 3002 H2 TIP3 543 6.475 -16.771 32.812 0.00 0.00 WAT1 ATOM 3003 OH2 TIP3 544 -4.138 -12.820 30.239 0.00 0.00 WAT1 ATOM 3004 H1 TIP3 544 -3.775 -11.965 30.006 0.00 0.00 WAT1 ATOM 3005 H2 TIP3 544 -3.606 -13.112 30.980 0.00 0.00 WAT1 ATOM 3006 OH2 TIP3 545 -5.969 -11.947 23.469 0.00 0.00 WAT1 ATOM 3007 H1 TIP3 545 -6.919 -11.842 23.521 0.00 0.00 WAT1 ATOM 3008 H2 TIP3 545 -5.618 -11.127 23.814 0.00 0.00 WAT1 ATOM 3009 OH2 TIP3 546 2.065 -12.169 32.409 0.00 0.00 WAT1 ATOM 3010 H1 TIP3 546 1.463 -12.724 31.914 0.00 0.00 WAT1 ATOM 3011 H2 TIP3 546 2.346 -11.502 31.783 0.00 0.00 WAT1 ATOM 3012 OH2 TIP3 547 -10.162 -13.131 30.251 0.00 0.00 WAT1 ATOM 3013 H1 TIP3 547 -9.945 -14.063 30.220 0.00 0.00 WAT1 ATOM 3014 H2 TIP3 547 -9.915 -12.857 31.135 0.00 0.00 WAT1 ATOM 3015 OH2 TIP3 548 3.646 -24.922 32.658 0.00 0.00 WAT1 ATOM 3016 H1 TIP3 548 2.730 -24.659 32.570 0.00 0.00 WAT1 ATOM 3017 H2 TIP3 548 3.982 -24.925 31.761 0.00 0.00 WAT1 ATOM 3018 OH2 TIP3 549 3.335 -11.915 28.376 0.00 0.00 WAT1 ATOM 3019 H1 TIP3 549 3.179 -11.237 27.719 0.00 0.00 WAT1 ATOM 3020 H2 TIP3 549 4.267 -11.843 28.579 0.00 0.00 WAT1 ATOM 3021 OH2 TIP3 550 -10.951 -11.244 34.604 0.00 0.00 WAT1 ATOM 3022 H1 TIP3 550 -10.411 -11.461 35.363 0.00 0.00 WAT1 ATOM 3023 H2 TIP3 550 -11.432 -12.050 34.414 0.00 0.00 WAT1 ATOM 3024 OH2 TIP3 551 -6.354 -12.325 36.224 0.00 0.00 WAT1 ATOM 3025 H1 TIP3 551 -5.586 -12.784 36.565 0.00 0.00 WAT1 ATOM 3026 H2 TIP3 551 -6.375 -12.551 35.294 0.00 0.00 WAT1 ATOM 3027 OH2 TIP3 552 0.223 -13.945 34.953 0.00 0.00 WAT1 ATOM 3028 H1 TIP3 552 -0.128 -14.801 35.196 0.00 0.00 WAT1 ATOM 3029 H2 TIP3 552 0.949 -13.802 35.560 0.00 0.00 WAT1 ATOM 3030 OH2 TIP3 553 -11.044 -17.434 35.558 0.00 0.00 WAT1 ATOM 3031 H1 TIP3 553 -10.900 -18.336 35.272 0.00 0.00 WAT1 ATOM 3032 H2 TIP3 553 -11.817 -17.148 35.070 0.00 0.00 WAT1 ATOM 3033 OH2 TIP3 554 -4.389 -17.464 34.991 0.00 0.00 WAT1 ATOM 3034 H1 TIP3 554 -4.717 -17.193 34.133 0.00 0.00 WAT1 ATOM 3035 H2 TIP3 554 -4.237 -18.405 34.903 0.00 0.00 WAT1 ATOM 3036 OH2 TIP3 555 -0.727 -24.595 33.998 0.00 0.00 WAT1 ATOM 3037 H1 TIP3 555 -1.675 -24.563 34.130 0.00 0.00 WAT1 ATOM 3038 H2 TIP3 555 -0.415 -25.220 34.652 0.00 0.00 WAT1 ATOM 3039 OH2 TIP3 556 0.907 -25.961 36.003 0.00 0.00 WAT1 ATOM 3040 H1 TIP3 556 0.810 -26.913 35.997 0.00 0.00 WAT1 ATOM 3041 H2 TIP3 556 0.585 -25.692 36.864 0.00 0.00 WAT1 ATOM 3042 OH2 TIP3 557 -4.485 -28.750 34.030 0.00 0.00 WAT1 ATOM 3043 H1 TIP3 557 -3.773 -29.390 34.016 0.00 0.00 WAT1 ATOM 3044 H2 TIP3 557 -4.586 -28.483 33.116 0.00 0.00 WAT1 ATOM 3045 OH2 TIP3 558 -4.132 -27.067 36.084 0.00 0.00 WAT1 ATOM 3046 H1 TIP3 558 -4.263 -27.543 35.263 0.00 0.00 WAT1 ATOM 3047 H2 TIP3 558 -4.731 -26.323 36.028 0.00 0.00 WAT1 ATOM 3048 OH2 TIP3 559 -12.368 -10.155 23.820 0.00 0.00 WAT1 ATOM 3049 H1 TIP3 559 -13.015 -10.617 23.287 0.00 0.00 WAT1 ATOM 3050 H2 TIP3 559 -12.013 -10.827 24.403 0.00 0.00 WAT1 ATOM 3051 OH2 TIP3 560 -11.498 -12.074 25.625 0.00 0.00 WAT1 ATOM 3052 H1 TIP3 560 -11.832 -12.955 25.797 0.00 0.00 WAT1 ATOM 3053 H2 TIP3 560 -11.276 -11.729 26.489 0.00 0.00 WAT1 ATOM 3054 OH2 TIP3 561 6.051 -11.265 28.605 0.00 0.00 WAT1 ATOM 3055 H1 TIP3 561 6.029 -11.080 29.544 0.00 0.00 WAT1 ATOM 3056 H2 TIP3 561 6.741 -10.696 28.264 0.00 0.00 WAT1 ATOM 3057 OH2 TIP3 562 5.614 -11.698 31.527 0.00 0.00 WAT1 ATOM 3058 H1 TIP3 562 5.127 -12.433 31.156 0.00 0.00 WAT1 ATOM 3059 H2 TIP3 562 6.163 -12.091 32.205 0.00 0.00 WAT1 ATOM 3060 OH2 TIP3 563 4.065 -15.908 36.165 0.00 0.00 WAT1 ATOM 3061 H1 TIP3 563 3.199 -16.013 36.559 0.00 0.00 WAT1 ATOM 3062 H2 TIP3 563 4.441 -15.149 36.612 0.00 0.00 WAT1 ATOM 3063 OH2 TIP3 564 4.006 -13.935 30.758 0.00 0.00 WAT1 ATOM 3064 H1 TIP3 564 3.358 -13.610 31.383 0.00 0.00 WAT1 ATOM 3065 H2 TIP3 564 3.488 -14.375 30.083 0.00 0.00 WAT1 ATOM 3066 OH2 TIP3 565 5.900 -21.204 34.389 0.00 0.00 WAT1 ATOM 3067 H1 TIP3 565 5.037 -21.583 34.224 0.00 0.00 WAT1 ATOM 3068 H2 TIP3 565 6.504 -21.943 34.315 0.00 0.00 WAT1 ATOM 3069 OH2 TIP3 566 6.181 -28.196 36.094 0.00 0.00 WAT1 ATOM 3070 H1 TIP3 566 6.531 -28.850 35.488 0.00 0.00 WAT1 ATOM 3071 H2 TIP3 566 6.328 -27.359 35.654 0.00 0.00 WAT1 ATOM 3072 OH2 TIP3 567 5.701 -26.087 34.443 0.00 0.00 WAT1 ATOM 3073 H1 TIP3 567 4.784 -25.816 34.407 0.00 0.00 WAT1 ATOM 3074 H2 TIP3 567 5.824 -26.622 33.659 0.00 0.00 WAT1 ATOM 3075 OH2 TIP3 568 -9.826 -14.246 34.720 0.00 0.00 WAT1 ATOM 3076 H1 TIP3 568 -10.647 -14.071 34.260 0.00 0.00 WAT1 ATOM 3077 H2 TIP3 568 -10.078 -14.319 35.641 0.00 0.00 WAT1 ATOM 3078 OH2 TIP3 569 -6.872 -13.271 30.979 0.00 0.00 WAT1 ATOM 3079 H1 TIP3 569 -7.297 -12.462 30.696 0.00 0.00 WAT1 ATOM 3080 H2 TIP3 569 -5.967 -13.186 30.677 0.00 0.00 WAT1 ATOM 3081 OH2 TIP3 570 -2.561 -11.872 33.938 0.00 0.00 WAT1 ATOM 3082 H1 TIP3 570 -2.376 -12.206 34.816 0.00 0.00 WAT1 ATOM 3083 H2 TIP3 570 -1.714 -11.563 33.616 0.00 0.00 WAT1 ATOM 3084 OH2 TIP3 571 -0.216 -10.587 33.182 0.00 0.00 WAT1 ATOM 3085 H1 TIP3 571 0.461 -11.219 32.942 0.00 0.00 WAT1 ATOM 3086 H2 TIP3 571 0.106 -10.185 33.990 0.00 0.00 WAT1 ATOM 3087 OH2 TIP3 572 4.702 -27.997 32.262 0.00 0.00 WAT1 ATOM 3088 H1 TIP3 572 3.889 -27.672 31.874 0.00 0.00 WAT1 ATOM 3089 H2 TIP3 572 4.935 -28.757 31.729 0.00 0.00 WAT1 ATOM 3090 OH2 TIP3 573 -9.470 -10.015 31.026 0.00 0.00 WAT1 ATOM 3091 H1 TIP3 573 -10.190 -9.575 30.575 0.00 0.00 WAT1 ATOM 3092 H2 TIP3 573 -9.836 -10.266 31.875 0.00 0.00 WAT1 ATOM 3093 OH2 TIP3 574 -7.003 -10.415 30.056 0.00 0.00 WAT1 ATOM 3094 H1 TIP3 574 -7.868 -10.343 30.460 0.00 0.00 WAT1 ATOM 3095 H2 TIP3 574 -7.058 -9.868 29.272 0.00 0.00 WAT1 ATOM 3096 OH2 TIP3 575 -2.292 -10.527 29.232 0.00 0.00 WAT1 ATOM 3097 H1 TIP3 575 -2.749 -9.998 28.578 0.00 0.00 WAT1 ATOM 3098 H2 TIP3 575 -2.129 -9.924 29.957 0.00 0.00 WAT1 ATOM 3099 OH2 TIP3 576 0.035 -11.649 30.177 0.00 0.00 WAT1 ATOM 3100 H1 TIP3 576 -0.869 -11.484 29.911 0.00 0.00 WAT1 ATOM 3101 H2 TIP3 576 0.464 -10.796 30.111 0.00 0.00 WAT1 ATOM 3102 OH2 TIP3 577 2.640 -10.079 30.472 0.00 0.00 WAT1 ATOM 3103 H1 TIP3 577 2.458 -9.163 30.261 0.00 0.00 WAT1 ATOM 3104 H2 TIP3 577 2.816 -10.489 29.625 0.00 0.00 WAT1 ATOM 3105 OH2 TIP3 578 -10.055 -11.392 27.937 0.00 0.00 WAT1 ATOM 3106 H1 TIP3 578 -10.074 -11.817 28.794 0.00 0.00 WAT1 ATOM 3107 H2 TIP3 578 -9.250 -11.710 27.528 0.00 0.00 WAT1 ATOM 3108 OH2 TIP3 579 -7.914 -12.682 26.592 0.00 0.00 WAT1 ATOM 3109 H1 TIP3 579 -8.133 -13.598 26.761 0.00 0.00 WAT1 ATOM 3110 H2 TIP3 579 -7.090 -12.542 27.058 0.00 0.00 WAT1 ATOM 3111 OH2 TIP3 580 -5.377 -12.212 27.440 0.00 0.00 WAT1 ATOM 3112 H1 TIP3 580 -5.164 -13.100 27.153 0.00 0.00 WAT1 ATOM 3113 H2 TIP3 580 -5.312 -12.246 28.395 0.00 0.00 WAT1 ATOM 3114 OH2 TIP3 581 0.811 -28.717 35.642 0.00 0.00 WAT1 ATOM 3115 H1 TIP3 581 0.887 -29.143 36.496 0.00 0.00 WAT1 ATOM 3116 H2 TIP3 581 1.704 -28.703 35.300 0.00 0.00 WAT1 ATOM 3117 OH2 TIP3 582 3.987 -12.644 34.335 0.00 0.00 WAT1 ATOM 3118 H1 TIP3 582 3.205 -12.830 33.815 0.00 0.00 WAT1 ATOM 3119 H2 TIP3 582 3.915 -11.715 34.552 0.00 0.00 WAT1 ATOM 3120 OH2 TIP3 583 -11.628 -21.778 42.161 0.00 0.00 WAT1 ATOM 3121 H1 TIP3 583 -12.076 -20.932 42.143 0.00 0.00 WAT1 ATOM 3122 H2 TIP3 583 -12.189 -22.358 41.646 0.00 0.00 WAT1 ATOM 3123 OH2 TIP3 584 -10.918 -19.616 44.287 0.00 0.00 WAT1 ATOM 3124 H1 TIP3 584 -10.704 -20.386 44.814 0.00 0.00 WAT1 ATOM 3125 H2 TIP3 584 -10.180 -19.527 43.684 0.00 0.00 WAT1 ATOM 3126 OH2 TIP3 585 -6.845 -24.575 44.646 0.00 0.00 WAT1 ATOM 3127 H1 TIP3 585 -6.802 -23.715 44.228 0.00 0.00 WAT1 ATOM 3128 H2 TIP3 585 -7.303 -25.127 44.013 0.00 0.00 WAT1 ATOM 3129 OH2 TIP3 586 -10.225 -22.178 45.408 0.00 0.00 WAT1 ATOM 3130 H1 TIP3 586 -9.571 -22.728 45.840 0.00 0.00 WAT1 ATOM 3131 H2 TIP3 586 -10.201 -22.452 44.492 0.00 0.00 WAT1 ATOM 3132 OH2 TIP3 587 -8.441 -23.765 46.673 0.00 0.00 WAT1 ATOM 3133 H1 TIP3 587 -7.828 -23.132 47.046 0.00 0.00 WAT1 ATOM 3134 H2 TIP3 587 -7.929 -24.237 46.016 0.00 0.00 WAT1 ATOM 3135 OH2 TIP3 588 -1.742 -19.514 40.673 0.00 0.00 WAT1 ATOM 3136 H1 TIP3 588 -2.454 -18.979 40.322 0.00 0.00 WAT1 ATOM 3137 H2 TIP3 588 -1.051 -19.458 40.013 0.00 0.00 WAT1 ATOM 3138 OH2 TIP3 589 1.664 -19.304 41.625 0.00 0.00 WAT1 ATOM 3139 H1 TIP3 589 0.932 -19.076 42.198 0.00 0.00 WAT1 ATOM 3140 H2 TIP3 589 2.111 -20.018 42.080 0.00 0.00 WAT1 ATOM 3141 OH2 TIP3 590 0.535 -20.142 39.310 0.00 0.00 WAT1 ATOM 3142 H1 TIP3 590 1.114 -19.992 40.057 0.00 0.00 WAT1 ATOM 3143 H2 TIP3 590 0.949 -19.671 38.587 0.00 0.00 WAT1 ATOM 3144 OH2 TIP3 591 -7.701 -19.604 41.097 0.00 0.00 WAT1 ATOM 3145 H1 TIP3 591 -7.993 -18.836 40.606 0.00 0.00 WAT1 ATOM 3146 H2 TIP3 591 -8.375 -20.264 40.934 0.00 0.00 WAT1 ATOM 3147 OH2 TIP3 592 2.012 -19.109 36.940 0.00 0.00 WAT1 ATOM 3148 H1 TIP3 592 2.054 -19.332 36.010 0.00 0.00 WAT1 ATOM 3149 H2 TIP3 592 2.861 -18.711 37.130 0.00 0.00 WAT1 ATOM 3150 OH2 TIP3 593 -2.415 -25.233 37.610 0.00 0.00 WAT1 ATOM 3151 H1 TIP3 593 -2.669 -25.214 38.533 0.00 0.00 WAT1 ATOM 3152 H2 TIP3 593 -2.672 -26.105 37.309 0.00 0.00 WAT1 ATOM 3153 OH2 TIP3 594 -6.652 -22.261 42.958 0.00 0.00 WAT1 ATOM 3154 H1 TIP3 594 -7.545 -22.602 42.899 0.00 0.00 WAT1 ATOM 3155 H2 TIP3 594 -6.201 -22.638 42.202 0.00 0.00 WAT1 ATOM 3156 OH2 TIP3 595 -1.116 -21.845 41.775 0.00 0.00 WAT1 ATOM 3157 H1 TIP3 595 -1.525 -21.030 41.483 0.00 0.00 WAT1 ATOM 3158 H2 TIP3 595 -0.396 -21.985 41.160 0.00 0.00 WAT1 ATOM 3159 OH2 TIP3 596 -12.291 -25.046 43.763 0.00 0.00 WAT1 ATOM 3160 H1 TIP3 596 -11.660 -25.075 44.483 0.00 0.00 WAT1 ATOM 3161 H2 TIP3 596 -11.841 -25.471 43.033 0.00 0.00 WAT1 ATOM 3162 OH2 TIP3 597 -4.070 -24.834 44.044 0.00 0.00 WAT1 ATOM 3163 H1 TIP3 597 -4.981 -24.777 44.333 0.00 0.00 WAT1 ATOM 3164 H2 TIP3 597 -3.565 -24.894 44.855 0.00 0.00 WAT1 ATOM 3165 OH2 TIP3 598 -9.242 -23.205 42.871 0.00 0.00 WAT1 ATOM 3166 H1 TIP3 598 -10.131 -23.105 42.531 0.00 0.00 WAT1 ATOM 3167 H2 TIP3 598 -8.946 -24.047 42.525 0.00 0.00 WAT1 ATOM 3168 OH2 TIP3 599 -3.580 -17.445 40.030 0.00 0.00 WAT1 ATOM 3169 H1 TIP3 599 -4.324 -17.952 39.707 0.00 0.00 WAT1 ATOM 3170 H2 TIP3 599 -3.714 -17.396 40.976 0.00 0.00 WAT1 ATOM 3171 OH2 TIP3 600 0.318 -24.631 38.229 0.00 0.00 WAT1 ATOM 3172 H1 TIP3 600 -0.620 -24.519 38.078 0.00 0.00 WAT1 ATOM 3173 H2 TIP3 600 0.615 -23.774 38.535 0.00 0.00 WAT1 ATOM 3174 OH2 TIP3 601 1.036 -22.764 39.890 0.00 0.00 WAT1 ATOM 3175 H1 TIP3 601 1.928 -22.901 40.209 0.00 0.00 WAT1 ATOM 3176 H2 TIP3 601 1.093 -21.973 39.353 0.00 0.00 WAT1 ATOM 3177 OH2 TIP3 602 -1.454 -15.986 39.055 0.00 0.00 WAT1 ATOM 3178 H1 TIP3 602 -1.749 -15.160 39.437 0.00 0.00 WAT1 ATOM 3179 H2 TIP3 602 -2.157 -16.606 39.251 0.00 0.00 WAT1 ATOM 3180 OH2 TIP3 603 1.609 -15.792 37.870 0.00 0.00 WAT1 ATOM 3181 H1 TIP3 603 1.962 -16.172 38.674 0.00 0.00 WAT1 ATOM 3182 H2 TIP3 603 0.660 -15.885 37.956 0.00 0.00 WAT1 ATOM 3183 OH2 TIP3 604 2.475 -17.119 40.096 0.00 0.00 WAT1 ATOM 3184 H1 TIP3 604 2.198 -17.847 40.652 0.00 0.00 WAT1 ATOM 3185 H2 TIP3 604 3.402 -17.000 40.302 0.00 0.00 WAT1 ATOM 3186 OH2 TIP3 605 -4.300 -14.680 36.317 0.00 0.00 WAT1 ATOM 3187 H1 TIP3 605 -4.061 -15.428 35.769 0.00 0.00 WAT1 ATOM 3188 H2 TIP3 605 -4.569 -15.068 37.149 0.00 0.00 WAT1 ATOM 3189 OH2 TIP3 606 -5.363 -15.110 38.773 0.00 0.00 WAT1 ATOM 3190 H1 TIP3 606 -5.216 -15.630 39.563 0.00 0.00 WAT1 ATOM 3191 H2 TIP3 606 -5.366 -14.203 39.079 0.00 0.00 WAT1 ATOM 3192 OH2 TIP3 607 -8.910 -17.857 39.283 0.00 0.00 WAT1 ATOM 3193 H1 TIP3 607 -9.596 -17.505 39.850 0.00 0.00 WAT1 ATOM 3194 H2 TIP3 607 -8.387 -17.094 39.037 0.00 0.00 WAT1 ATOM 3195 OH2 TIP3 608 -0.294 -25.543 40.659 0.00 0.00 WAT1 ATOM 3196 H1 TIP3 608 -0.074 -25.071 39.856 0.00 0.00 WAT1 ATOM 3197 H2 TIP3 608 0.264 -25.148 41.330 0.00 0.00 WAT1 ATOM 3198 OH2 TIP3 609 -3.094 -23.815 41.494 0.00 0.00 WAT1 ATOM 3199 H1 TIP3 609 -2.282 -23.311 41.540 0.00 0.00 WAT1 ATOM 3200 H2 TIP3 609 -3.339 -23.960 42.408 0.00 0.00 WAT1 ATOM 3201 OH2 TIP3 610 -2.210 -26.734 42.432 0.00 0.00 WAT1 ATOM 3202 H1 TIP3 610 -2.557 -26.116 43.077 0.00 0.00 WAT1 ATOM 3203 H2 TIP3 610 -1.552 -26.233 41.951 0.00 0.00 WAT1 ATOM 3204 OH2 TIP3 611 -8.294 -15.243 38.180 0.00 0.00 WAT1 ATOM 3205 H1 TIP3 611 -7.702 -14.544 38.456 0.00 0.00 WAT1 ATOM 3206 H2 TIP3 611 -7.835 -15.676 37.461 0.00 0.00 WAT1 ATOM 3207 OH2 TIP3 612 -9.170 -27.797 45.969 0.00 0.00 WAT1 ATOM 3208 H1 TIP3 612 -9.399 -27.738 45.042 0.00 0.00 WAT1 ATOM 3209 H2 TIP3 612 -9.613 -28.589 46.276 0.00 0.00 WAT1 ATOM 3210 OH2 TIP3 613 -2.262 -12.817 36.455 0.00 0.00 WAT1 ATOM 3211 H1 TIP3 613 -2.906 -13.448 36.777 0.00 0.00 WAT1 ATOM 3212 H2 TIP3 613 -1.500 -13.348 36.223 0.00 0.00 WAT1 ATOM 3213 OH2 TIP3 614 2.342 -13.000 36.689 0.00 0.00 WAT1 ATOM 3214 H1 TIP3 614 2.625 -13.794 37.142 0.00 0.00 WAT1 ATOM 3215 H2 TIP3 614 3.082 -12.767 36.128 0.00 0.00 WAT1 ATOM 3216 OH2 TIP3 615 -6.703 -17.090 36.546 0.00 0.00 WAT1 ATOM 3217 H1 TIP3 615 -6.639 -17.884 37.077 0.00 0.00 WAT1 ATOM 3218 H2 TIP3 615 -6.050 -17.209 35.857 0.00 0.00 WAT1 ATOM 3219 OH2 TIP3 616 -1.351 -16.043 36.282 0.00 0.00 WAT1 ATOM 3220 H1 TIP3 616 -1.619 -15.863 37.183 0.00 0.00 WAT1 ATOM 3221 H2 TIP3 616 -1.557 -16.969 36.151 0.00 0.00 WAT1 ATOM 3222 OH2 TIP3 617 -5.554 -19.118 38.852 0.00 0.00 WAT1 ATOM 3223 H1 TIP3 617 -6.013 -19.602 39.538 0.00 0.00 WAT1 ATOM 3224 H2 TIP3 617 -5.299 -19.786 38.216 0.00 0.00 WAT1 ATOM 3225 OH2 TIP3 618 4.907 -18.520 36.560 0.00 0.00 WAT1 ATOM 3226 H1 TIP3 618 4.634 -18.945 35.747 0.00 0.00 WAT1 ATOM 3227 H2 TIP3 618 4.947 -17.589 36.343 0.00 0.00 WAT1 ATOM 3228 OH2 TIP3 619 -11.017 -15.548 37.599 0.00 0.00 WAT1 ATOM 3229 H1 TIP3 619 -10.103 -15.469 37.872 0.00 0.00 WAT1 ATOM 3230 H2 TIP3 619 -11.010 -16.235 36.932 0.00 0.00 WAT1 ATOM 3231 OH2 TIP3 620 4.377 -22.457 37.301 0.00 0.00 WAT1 ATOM 3232 H1 TIP3 620 4.474 -21.790 36.621 0.00 0.00 WAT1 ATOM 3233 H2 TIP3 620 4.237 -23.273 36.819 0.00 0.00 WAT1 ATOM 3234 OH2 TIP3 621 3.625 -25.049 36.418 0.00 0.00 WAT1 ATOM 3235 H1 TIP3 621 4.235 -25.421 37.055 0.00 0.00 WAT1 ATOM 3236 H2 TIP3 621 2.788 -25.471 36.614 0.00 0.00 WAT1 ATOM 3237 OH2 TIP3 622 -10.599 -25.416 45.964 0.00 0.00 WAT1 ATOM 3238 H1 TIP3 622 -10.154 -26.208 46.266 0.00 0.00 WAT1 ATOM 3239 H2 TIP3 622 -10.133 -24.700 46.395 0.00 0.00 WAT1 ATOM 3240 OH2 TIP3 623 -9.542 -27.914 43.263 0.00 0.00 WAT1 ATOM 3241 H1 TIP3 623 -10.319 -28.148 42.755 0.00 0.00 WAT1 ATOM 3242 H2 TIP3 623 -9.011 -28.711 43.271 0.00 0.00 WAT1 ATOM 3243 OH2 TIP3 624 -4.962 -27.987 43.076 0.00 0.00 WAT1 ATOM 3244 H1 TIP3 624 -4.088 -27.599 43.046 0.00 0.00 WAT1 ATOM 3245 H2 TIP3 624 -5.098 -28.202 43.999 0.00 0.00 WAT1 ATOM 3246 OH2 TIP3 625 -3.818 -25.907 39.966 0.00 0.00 WAT1 ATOM 3247 H1 TIP3 625 -3.640 -26.553 40.649 0.00 0.00 WAT1 ATOM 3248 H2 TIP3 625 -3.872 -25.073 40.433 0.00 0.00 WAT1 ATOM 3249 OH2 TIP3 626 -0.463 0.098 -13.347 0.00 0.00 WAT1 ATOM 3250 H1 TIP3 626 -0.374 1.042 -13.479 0.00 0.00 WAT1 ATOM 3251 H2 TIP3 626 -1.102 -0.177 -14.005 0.00 0.00 WAT1 ATOM 3252 OH2 TIP3 627 -9.162 -1.032 -8.335 0.00 0.00 WAT1 ATOM 3253 H1 TIP3 627 -9.120 -1.658 -7.611 0.00 0.00 WAT1 ATOM 3254 H2 TIP3 627 -8.459 -0.409 -8.153 0.00 0.00 WAT1 ATOM 3255 OH2 TIP3 628 2.176 2.292 -11.626 0.00 0.00 WAT1 ATOM 3256 H1 TIP3 628 1.735 1.572 -11.176 0.00 0.00 WAT1 ATOM 3257 H2 TIP3 628 2.163 3.013 -10.996 0.00 0.00 WAT1 ATOM 3258 OH2 TIP3 629 -8.238 3.418 -9.800 0.00 0.00 WAT1 ATOM 3259 H1 TIP3 629 -8.608 2.616 -10.169 0.00 0.00 WAT1 ATOM 3260 H2 TIP3 629 -7.297 3.249 -9.753 0.00 0.00 WAT1 ATOM 3261 OH2 TIP3 630 -3.141 1.786 -9.522 0.00 0.00 WAT1 ATOM 3262 H1 TIP3 630 -2.837 1.100 -10.116 0.00 0.00 WAT1 ATOM 3263 H2 TIP3 630 -2.419 1.904 -8.904 0.00 0.00 WAT1 ATOM 3264 OH2 TIP3 631 5.522 -6.613 -8.661 0.00 0.00 WAT1 ATOM 3265 H1 TIP3 631 5.571 -6.003 -7.925 0.00 0.00 WAT1 ATOM 3266 H2 TIP3 631 5.948 -6.152 -9.384 0.00 0.00 WAT1 ATOM 3267 OH2 TIP3 632 0.000 -3.820 -9.194 0.00 0.00 WAT1 ATOM 3268 H1 TIP3 632 0.143 -4.767 -9.174 0.00 0.00 WAT1 ATOM 3269 H2 TIP3 632 -0.106 -3.613 -10.123 0.00 0.00 WAT1 ATOM 3270 OH2 TIP3 633 -6.845 -5.719 -11.922 0.00 0.00 WAT1 ATOM 3271 H1 TIP3 633 -6.802 -4.859 -12.340 0.00 0.00 WAT1 ATOM 3272 H2 TIP3 633 -7.303 -6.271 -12.555 0.00 0.00 WAT1 ATOM 3273 OH2 TIP3 634 0.877 -5.588 -13.521 0.00 0.00 WAT1 ATOM 3274 H1 TIP3 634 1.523 -5.917 -12.896 0.00 0.00 WAT1 ATOM 3275 H2 TIP3 634 1.387 -5.070 -14.144 0.00 0.00 WAT1 ATOM 3276 OH2 TIP3 635 -10.225 -3.322 -11.160 0.00 0.00 WAT1 ATOM 3277 H1 TIP3 635 -9.571 -3.872 -10.728 0.00 0.00 WAT1 ATOM 3278 H2 TIP3 635 -10.201 -3.596 -12.076 0.00 0.00 WAT1 ATOM 3279 OH2 TIP3 636 -5.069 -1.772 -11.944 0.00 0.00 WAT1 ATOM 3280 H1 TIP3 636 -4.453 -2.298 -11.435 0.00 0.00 WAT1 ATOM 3281 H2 TIP3 636 -5.655 -2.412 -12.348 0.00 0.00 WAT1 ATOM 3282 OH2 TIP3 637 5.914 -5.135 -6.425 0.00 0.00 WAT1 ATOM 3283 H1 TIP3 637 5.225 -4.477 -6.520 0.00 0.00 WAT1 ATOM 3284 H2 TIP3 637 5.929 -5.332 -5.488 0.00 0.00 WAT1 ATOM 3285 OH2 TIP3 638 -8.035 -6.801 -7.848 0.00 0.00 WAT1 ATOM 3286 H1 TIP3 638 -8.254 -6.271 -8.614 0.00 0.00 WAT1 ATOM 3287 H2 TIP3 638 -8.703 -6.574 -7.200 0.00 0.00 WAT1 ATOM 3288 OH2 TIP3 639 -5.466 0.875 -7.560 0.00 0.00 WAT1 ATOM 3289 H1 TIP3 639 -6.206 1.473 -7.457 0.00 0.00 WAT1 ATOM 3290 H2 TIP3 639 -4.752 1.429 -7.876 0.00 0.00 WAT1 ATOM 3291 OH2 TIP3 640 2.641 -6.297 -11.540 0.00 0.00 WAT1 ATOM 3292 H1 TIP3 640 2.426 -7.063 -11.008 0.00 0.00 WAT1 ATOM 3293 H2 TIP3 640 3.297 -5.825 -11.027 0.00 0.00 WAT1 ATOM 3294 OH2 TIP3 641 -8.441 -4.909 -9.895 0.00 0.00 WAT1 ATOM 3295 H1 TIP3 641 -7.828 -4.276 -9.522 0.00 0.00 WAT1 ATOM 3296 H2 TIP3 641 -7.929 -5.381 -10.552 0.00 0.00 WAT1 ATOM 3297 OH2 TIP3 642 2.688 4.132 -9.278 0.00 0.00 WAT1 ATOM 3298 H1 TIP3 642 1.746 4.190 -9.117 0.00 0.00 WAT1 ATOM 3299 H2 TIP3 642 2.964 5.038 -9.415 0.00 0.00 WAT1 ATOM 3300 OH2 TIP3 643 2.988 -7.582 -7.861 0.00 0.00 WAT1 ATOM 3301 H1 TIP3 643 2.252 -6.971 -7.899 0.00 0.00 WAT1 ATOM 3302 H2 TIP3 643 3.672 -7.167 -8.387 0.00 0.00 WAT1 ATOM 3303 OH2 TIP3 644 3.785 2.380 -5.667 0.00 0.00 WAT1 ATOM 3304 H1 TIP3 644 3.925 1.789 -6.406 0.00 0.00 WAT1 ATOM 3305 H2 TIP3 644 3.953 3.253 -6.023 0.00 0.00 WAT1 ATOM 3306 OH2 TIP3 645 5.627 -1.280 -7.601 0.00 0.00 WAT1 ATOM 3307 H1 TIP3 645 4.975 -0.585 -7.512 0.00 0.00 WAT1 ATOM 3308 H2 TIP3 645 6.092 -1.070 -8.411 0.00 0.00 WAT1 ATOM 3309 OH2 TIP3 646 -5.324 3.610 -10.379 0.00 0.00 WAT1 ATOM 3310 H1 TIP3 646 -5.419 3.032 -11.136 0.00 0.00 WAT1 ATOM 3311 H2 TIP3 646 -4.595 3.239 -9.883 0.00 0.00 WAT1 ATOM 3312 OH2 TIP3 647 -6.324 -1.049 -9.427 0.00 0.00 WAT1 ATOM 3313 H1 TIP3 647 -5.759 -0.928 -10.190 0.00 0.00 WAT1 ATOM 3314 H2 TIP3 647 -6.005 -0.412 -8.788 0.00 0.00 WAT1 ATOM 3315 OH2 TIP3 648 -0.015 4.454 -8.693 0.00 0.00 WAT1 ATOM 3316 H1 TIP3 648 -0.256 5.116 -8.045 0.00 0.00 WAT1 ATOM 3317 H2 TIP3 648 -0.213 3.620 -8.268 0.00 0.00 WAT1 ATOM 3318 OH2 TIP3 649 -5.444 3.350 -4.710 0.00 0.00 WAT1 ATOM 3319 H1 TIP3 649 -5.756 4.132 -4.254 0.00 0.00 WAT1 ATOM 3320 H2 TIP3 649 -6.094 3.197 -5.396 0.00 0.00 WAT1 ATOM 3321 OH2 TIP3 650 -11.857 4.395 -9.772 0.00 0.00 WAT1 ATOM 3322 H1 TIP3 650 -10.911 4.251 -9.791 0.00 0.00 WAT1 ATOM 3323 H2 TIP3 650 -11.970 5.179 -9.235 0.00 0.00 WAT1 ATOM 3324 OH2 TIP3 651 -2.681 4.635 -5.214 0.00 0.00 WAT1 ATOM 3325 H1 TIP3 651 -2.594 5.461 -4.739 0.00 0.00 WAT1 ATOM 3326 H2 TIP3 651 -3.545 4.305 -4.965 0.00 0.00 WAT1 ATOM 3327 OH2 TIP3 652 3.492 -3.446 -3.610 0.00 0.00 WAT1 ATOM 3328 H1 TIP3 652 3.085 -2.965 -4.330 0.00 0.00 WAT1 ATOM 3329 H2 TIP3 652 3.533 -4.351 -3.917 0.00 0.00 WAT1 ATOM 3330 OH2 TIP3 653 -6.652 -3.405 -13.610 0.00 0.00 WAT1 ATOM 3331 H1 TIP3 653 -7.545 -3.746 -13.669 0.00 0.00 WAT1 ATOM 3332 H2 TIP3 653 -6.201 -3.782 -14.366 0.00 0.00 WAT1 ATOM 3333 OH2 TIP3 654 -0.112 -3.543 -11.979 0.00 0.00 WAT1 ATOM 3334 H1 TIP3 654 -0.307 -2.938 -12.694 0.00 0.00 WAT1 ATOM 3335 H2 TIP3 654 0.070 -4.377 -12.414 0.00 0.00 WAT1 ATOM 3336 OH2 TIP3 655 -4.070 -5.978 -12.524 0.00 0.00 WAT1 ATOM 3337 H1 TIP3 655 -4.981 -5.921 -12.235 0.00 0.00 WAT1 ATOM 3338 H2 TIP3 655 -3.565 -6.038 -11.713 0.00 0.00 WAT1 ATOM 3339 OH2 TIP3 656 -2.750 -3.190 -10.637 0.00 0.00 WAT1 ATOM 3340 H1 TIP3 656 -2.186 -3.737 -11.184 0.00 0.00 WAT1 ATOM 3341 H2 TIP3 656 -2.898 -3.712 -9.848 0.00 0.00 WAT1 ATOM 3342 OH2 TIP3 657 -7.748 -7.054 -14.219 0.00 0.00 WAT1 ATOM 3343 H1 TIP3 657 -8.065 -7.956 -14.254 0.00 0.00 WAT1 ATOM 3344 H2 TIP3 657 -6.967 -7.052 -14.771 0.00 0.00 WAT1 ATOM 3345 OH2 TIP3 658 3.570 0.544 -7.752 0.00 0.00 WAT1 ATOM 3346 H1 TIP3 658 4.212 1.001 -8.295 0.00 0.00 WAT1 ATOM 3347 H2 TIP3 658 2.740 0.657 -8.214 0.00 0.00 WAT1 ATOM 3348 OH2 TIP3 659 -8.455 0.706 -10.769 0.00 0.00 WAT1 ATOM 3349 H1 TIP3 659 -7.710 0.704 -11.370 0.00 0.00 WAT1 ATOM 3350 H2 TIP3 659 -8.377 -0.118 -10.287 0.00 0.00 WAT1 ATOM 3351 OH2 TIP3 660 0.190 4.057 -5.351 0.00 0.00 WAT1 ATOM 3352 H1 TIP3 660 -0.711 4.240 -5.619 0.00 0.00 WAT1 ATOM 3353 H2 TIP3 660 0.224 4.316 -4.430 0.00 0.00 WAT1 ATOM 3354 OH2 TIP3 661 5.885 2.102 -4.147 0.00 0.00 WAT1 ATOM 3355 H1 TIP3 661 5.033 2.340 -4.514 0.00 0.00 WAT1 ATOM 3356 H2 TIP3 661 6.475 2.085 -4.900 0.00 0.00 WAT1 ATOM 3357 OH2 TIP3 662 -4.138 6.036 -7.473 0.00 0.00 WAT1 ATOM 3358 H1 TIP3 662 -3.775 6.891 -7.706 0.00 0.00 WAT1 ATOM 3359 H2 TIP3 662 -3.606 5.744 -6.732 0.00 0.00 WAT1 ATOM 3360 OH2 TIP3 663 -0.294 -6.687 -15.909 0.00 0.00 WAT1 ATOM 3361 H1 TIP3 663 -0.074 -6.215 -16.712 0.00 0.00 WAT1 ATOM 3362 H2 TIP3 663 0.264 -6.292 -15.238 0.00 0.00 WAT1 ATOM 3363 OH2 TIP3 664 -3.094 -4.959 -15.074 0.00 0.00 WAT1 ATOM 3364 H1 TIP3 664 -2.282 -4.455 -15.028 0.00 0.00 WAT1 ATOM 3365 H2 TIP3 664 -3.339 -5.104 -14.160 0.00 0.00 WAT1 ATOM 3366 OH2 TIP3 665 -2.210 -7.878 -14.136 0.00 0.00 WAT1 ATOM 3367 H1 TIP3 665 -2.557 -7.260 -13.491 0.00 0.00 WAT1 ATOM 3368 H2 TIP3 665 -1.552 -7.377 -14.617 0.00 0.00 WAT1 ATOM 3369 OH2 TIP3 666 3.646 -6.066 -5.054 0.00 0.00 WAT1 ATOM 3370 H1 TIP3 666 2.730 -5.803 -5.142 0.00 0.00 WAT1 ATOM 3371 H2 TIP3 666 3.982 -6.069 -5.951 0.00 0.00 WAT1 ATOM 3372 OH2 TIP3 667 2.248 -2.315 -10.958 0.00 0.00 WAT1 ATOM 3373 H1 TIP3 667 1.451 -2.730 -11.287 0.00 0.00 WAT1 ATOM 3374 H2 TIP3 667 2.693 -3.006 -10.467 0.00 0.00 WAT1 ATOM 3375 OH2 TIP3 668 -9.170 -8.941 -10.599 0.00 0.00 WAT1 ATOM 3376 H1 TIP3 668 -9.399 -8.882 -11.526 0.00 0.00 WAT1 ATOM 3377 H2 TIP3 668 -9.613 -9.733 -10.292 0.00 0.00 WAT1 ATOM 3378 OH2 TIP3 669 -10.951 7.612 -3.108 0.00 0.00 WAT1 ATOM 3379 H1 TIP3 669 -10.411 7.395 -2.349 0.00 0.00 WAT1 ATOM 3380 H2 TIP3 669 -11.432 6.806 -3.298 0.00 0.00 WAT1 ATOM 3381 OH2 TIP3 670 0.223 4.911 -2.759 0.00 0.00 WAT1 ATOM 3382 H1 TIP3 670 -0.128 4.055 -2.516 0.00 0.00 WAT1 ATOM 3383 H2 TIP3 670 0.949 5.054 -2.152 0.00 0.00 WAT1 ATOM 3384 OH2 TIP3 671 0.907 -7.105 -1.709 0.00 0.00 WAT1 ATOM 3385 H1 TIP3 671 0.810 -8.057 -1.715 0.00 0.00 WAT1 ATOM 3386 H2 TIP3 671 0.585 -6.836 -0.848 0.00 0.00 WAT1 ATOM 3387 OH2 TIP3 672 -11.498 6.782 -12.087 0.00 0.00 WAT1 ATOM 3388 H1 TIP3 672 -11.832 5.901 -11.915 0.00 0.00 WAT1 ATOM 3389 H2 TIP3 672 -11.276 7.127 -11.223 0.00 0.00 WAT1 ATOM 3390 OH2 TIP3 673 4.065 2.948 -1.547 0.00 0.00 WAT1 ATOM 3391 H1 TIP3 673 3.199 2.843 -1.153 0.00 0.00 WAT1 ATOM 3392 H2 TIP3 673 4.441 3.707 -1.100 0.00 0.00 WAT1 ATOM 3393 OH2 TIP3 674 5.519 2.043 -9.261 0.00 0.00 WAT1 ATOM 3394 H1 TIP3 674 6.353 1.665 -9.542 0.00 0.00 WAT1 ATOM 3395 H2 TIP3 674 5.631 2.986 -9.380 0.00 0.00 WAT1 ATOM 3396 OH2 TIP3 675 4.006 4.921 -6.954 0.00 0.00 WAT1 ATOM 3397 H1 TIP3 675 3.358 5.246 -6.329 0.00 0.00 WAT1 ATOM 3398 H2 TIP3 675 3.488 4.481 -7.629 0.00 0.00 WAT1 ATOM 3399 OH2 TIP3 676 -11.418 -0.143 -9.636 0.00 0.00 WAT1 ATOM 3400 H1 TIP3 676 -11.234 -0.225 -10.571 0.00 0.00 WAT1 ATOM 3401 H2 TIP3 676 -10.569 -0.267 -9.212 0.00 0.00 WAT1 ATOM 3402 OH2 TIP3 677 4.403 -0.251 -4.007 0.00 0.00 WAT1 ATOM 3403 H1 TIP3 677 4.986 -0.985 -3.816 0.00 0.00 WAT1 ATOM 3404 H2 TIP3 677 4.967 0.521 -3.961 0.00 0.00 WAT1 ATOM 3405 OH2 TIP3 678 5.900 -2.348 -3.323 0.00 0.00 WAT1 ATOM 3406 H1 TIP3 678 5.037 -2.727 -3.488 0.00 0.00 WAT1 ATOM 3407 H2 TIP3 678 6.504 -3.087 -3.397 0.00 0.00 WAT1 ATOM 3408 OH2 TIP3 679 3.869 -4.057 -9.748 0.00 0.00 WAT1 ATOM 3409 H1 TIP3 679 4.802 -3.845 -9.782 0.00 0.00 WAT1 ATOM 3410 H2 TIP3 679 3.634 -3.955 -8.825 0.00 0.00 WAT1 ATOM 3411 OH2 TIP3 680 3.898 -3.320 -6.972 0.00 0.00 WAT1 ATOM 3412 H1 TIP3 680 3.055 -3.052 -6.606 0.00 0.00 WAT1 ATOM 3413 H2 TIP3 680 4.341 -2.498 -7.183 0.00 0.00 WAT1 ATOM 3414 OH2 TIP3 681 3.871 -7.375 -15.135 0.00 0.00 WAT1 ATOM 3415 H1 TIP3 681 4.053 -7.824 -14.310 0.00 0.00 WAT1 ATOM 3416 H2 TIP3 681 3.271 -7.960 -15.599 0.00 0.00 WAT1 ATOM 3417 OH2 TIP3 682 -10.599 -6.560 -10.604 0.00 0.00 WAT1 ATOM 3418 H1 TIP3 682 -10.154 -7.352 -10.302 0.00 0.00 WAT1 ATOM 3419 H2 TIP3 682 -10.133 -5.844 -10.173 0.00 0.00 WAT1 ATOM 3420 OH2 TIP3 683 -12.295 -3.561 -9.535 0.00 0.00 WAT1 ATOM 3421 H1 TIP3 683 -11.803 -3.782 -10.325 0.00 0.00 WAT1 ATOM 3422 H2 TIP3 683 -11.933 -2.720 -9.254 0.00 0.00 WAT1 ATOM 3423 OH2 TIP3 684 -12.018 -8.565 -7.136 0.00 0.00 WAT1 ATOM 3424 H1 TIP3 684 -12.683 -8.811 -6.493 0.00 0.00 WAT1 ATOM 3425 H2 TIP3 684 -12.461 -7.943 -7.713 0.00 0.00 WAT1 ATOM 3426 OH2 TIP3 685 -6.872 5.585 -6.733 0.00 0.00 WAT1 ATOM 3427 H1 TIP3 685 -7.297 6.394 -7.016 0.00 0.00 WAT1 ATOM 3428 H2 TIP3 685 -5.967 5.670 -7.035 0.00 0.00 WAT1 ATOM 3429 OH2 TIP3 686 -2.561 6.984 -3.774 0.00 0.00 WAT1 ATOM 3430 H1 TIP3 686 -2.376 6.650 -2.896 0.00 0.00 WAT1 ATOM 3431 H2 TIP3 686 -1.714 7.293 -4.096 0.00 0.00 WAT1 ATOM 3432 OH2 TIP3 687 4.702 -9.141 -5.450 0.00 0.00 WAT1 ATOM 3433 H1 TIP3 687 3.889 -8.816 -5.838 0.00 0.00 WAT1 ATOM 3434 H2 TIP3 687 4.935 -9.901 -5.983 0.00 0.00 WAT1 ATOM 3435 OH2 TIP3 688 -9.470 8.841 -6.686 0.00 0.00 WAT1 ATOM 3436 H1 TIP3 688 -10.190 9.281 -7.137 0.00 0.00 WAT1 ATOM 3437 H2 TIP3 688 -9.836 8.590 -5.837 0.00 0.00 WAT1 ATOM 3438 OH2 TIP3 689 -7.003 8.441 -7.656 0.00 0.00 WAT1 ATOM 3439 H1 TIP3 689 -7.868 8.513 -7.252 0.00 0.00 WAT1 ATOM 3440 H2 TIP3 689 -7.058 8.988 -8.440 0.00 0.00 WAT1 ATOM 3441 OH2 TIP3 690 -10.055 7.464 -9.775 0.00 0.00 WAT1 ATOM 3442 H1 TIP3 690 -10.074 7.039 -8.918 0.00 0.00 WAT1 ATOM 3443 H2 TIP3 690 -9.250 7.146 -10.184 0.00 0.00 WAT1 ATOM 3444 OH2 TIP3 691 -7.914 6.174 -11.120 0.00 0.00 WAT1 ATOM 3445 H1 TIP3 691 -8.133 5.258 -10.951 0.00 0.00 WAT1 ATOM 3446 H2 TIP3 691 -7.090 6.314 -10.654 0.00 0.00 WAT1 ATOM 3447 OH2 TIP3 692 3.274 -9.585 -11.015 0.00 0.00 WAT1 ATOM 3448 H1 TIP3 692 3.878 -9.037 -11.516 0.00 0.00 WAT1 ATOM 3449 H2 TIP3 692 2.405 -9.265 -11.255 0.00 0.00 WAT1 ATOM 3450 OH2 TIP3 693 5.001 -8.446 -12.681 0.00 0.00 WAT1 ATOM 3451 H1 TIP3 693 5.613 -8.960 -13.208 0.00 0.00 WAT1 ATOM 3452 H2 TIP3 693 5.384 -7.568 -12.658 0.00 0.00 WAT1 ATOM 3453 OH2 TIP3 694 -9.542 -9.058 -13.305 0.00 0.00 WAT1 ATOM 3454 H1 TIP3 694 -10.319 -9.292 -13.813 0.00 0.00 WAT1 ATOM 3455 H2 TIP3 694 -9.011 -9.855 -13.297 0.00 0.00 WAT1 ATOM 3456 OH2 TIP3 695 -4.962 -9.131 -13.492 0.00 0.00 WAT1 ATOM 3457 H1 TIP3 695 -4.088 -8.743 -13.522 0.00 0.00 WAT1 ATOM 3458 H2 TIP3 695 -5.098 -9.346 -12.569 0.00 0.00 WAT1 ATOM 3459 OH2 TIP3 696 1.948 -9.075 -16.150 0.00 0.00 WAT1 ATOM 3460 H1 TIP3 696 1.245 -8.461 -16.360 0.00 0.00 WAT1 ATOM 3461 H2 TIP3 696 1.503 -9.913 -16.019 0.00 0.00 WAT1 ATOM 3462 OH2 TIP3 697 -3.818 -7.051 -16.602 0.00 0.00 WAT1 ATOM 3463 H1 TIP3 697 -3.640 -7.697 -15.919 0.00 0.00 WAT1 ATOM 3464 H2 TIP3 697 -3.872 -6.217 -16.135 0.00 0.00 WAT1 ATOM 3465 OH2 TIP3 698 0.811 -9.861 -2.070 0.00 0.00 WAT1 ATOM 3466 H1 TIP3 698 0.887 -10.287 -1.216 0.00 0.00 WAT1 ATOM 3467 H2 TIP3 698 1.704 -9.847 -2.412 0.00 0.00 WAT1 ATOM 3468 OH2 TIP3 699 -0.463 0.098 5.509 0.00 0.00 WAT1 ATOM 3469 H1 TIP3 699 -0.374 1.042 5.377 0.00 0.00 WAT1 ATOM 3470 H2 TIP3 699 -1.102 -0.177 4.851 0.00 0.00 WAT1 ATOM 3471 OH2 TIP3 700 -1.530 -0.647 8.928 0.00 0.00 WAT1 ATOM 3472 H1 TIP3 700 -1.568 -1.293 9.633 0.00 0.00 WAT1 ATOM 3473 H2 TIP3 700 -1.853 -1.113 8.157 0.00 0.00 WAT1 ATOM 3474 OH2 TIP3 701 -9.162 -1.032 10.521 0.00 0.00 WAT1 ATOM 3475 H1 TIP3 701 -9.120 -1.658 11.245 0.00 0.00 WAT1 ATOM 3476 H2 TIP3 701 -8.459 -0.409 10.703 0.00 0.00 WAT1 ATOM 3477 OH2 TIP3 702 2.176 2.292 7.230 0.00 0.00 WAT1 ATOM 3478 H1 TIP3 702 1.735 1.572 7.680 0.00 0.00 WAT1 ATOM 3479 H2 TIP3 702 2.163 3.013 7.860 0.00 0.00 WAT1 ATOM 3480 OH2 TIP3 703 -8.238 3.418 9.056 0.00 0.00 WAT1 ATOM 3481 H1 TIP3 703 -8.608 2.616 8.687 0.00 0.00 WAT1 ATOM 3482 H2 TIP3 703 -7.297 3.249 9.103 0.00 0.00 WAT1 ATOM 3483 OH2 TIP3 704 -11.628 -2.922 4.449 0.00 0.00 WAT1 ATOM 3484 H1 TIP3 704 -12.076 -2.076 4.431 0.00 0.00 WAT1 ATOM 3485 H2 TIP3 704 -12.189 -3.502 3.934 0.00 0.00 WAT1 ATOM 3486 OH2 TIP3 705 -10.918 -0.760 6.575 0.00 0.00 WAT1 ATOM 3487 H1 TIP3 705 -10.704 -1.530 7.102 0.00 0.00 WAT1 ATOM 3488 H2 TIP3 705 -10.180 -0.671 5.972 0.00 0.00 WAT1 ATOM 3489 OH2 TIP3 706 -0.713 7.397 7.442 0.00 0.00 WAT1 ATOM 3490 H1 TIP3 706 -0.093 6.720 7.169 0.00 0.00 WAT1 ATOM 3491 H2 TIP3 706 -0.921 7.179 8.350 0.00 0.00 WAT1 ATOM 3492 OH2 TIP3 707 5.522 -6.613 10.195 0.00 0.00 WAT1 ATOM 3493 H1 TIP3 707 5.571 -6.003 10.931 0.00 0.00 WAT1 ATOM 3494 H2 TIP3 707 5.948 -6.152 9.472 0.00 0.00 WAT1 ATOM 3495 OH2 TIP3 708 0.000 -3.820 9.662 0.00 0.00 WAT1 ATOM 3496 H1 TIP3 708 0.143 -4.767 9.682 0.00 0.00 WAT1 ATOM 3497 H2 TIP3 708 -0.106 -3.613 8.733 0.00 0.00 WAT1 ATOM 3498 OH2 TIP3 709 -6.845 -5.719 6.934 0.00 0.00 WAT1 ATOM 3499 H1 TIP3 709 -6.802 -4.859 6.516 0.00 0.00 WAT1 ATOM 3500 H2 TIP3 709 -7.303 -6.271 6.301 0.00 0.00 WAT1 ATOM 3501 OH2 TIP3 710 0.877 -5.588 5.335 0.00 0.00 WAT1 ATOM 3502 H1 TIP3 710 1.523 -5.917 5.960 0.00 0.00 WAT1 ATOM 3503 H2 TIP3 710 1.387 -5.070 4.712 0.00 0.00 WAT1 ATOM 3504 OH2 TIP3 711 -5.069 -1.772 6.912 0.00 0.00 WAT1 ATOM 3505 H1 TIP3 711 -4.453 -2.298 7.421 0.00 0.00 WAT1 ATOM 3506 H2 TIP3 711 -5.655 -2.412 6.508 0.00 0.00 WAT1 ATOM 3507 OH2 TIP3 712 5.914 -5.135 12.431 0.00 0.00 WAT1 ATOM 3508 H1 TIP3 712 5.225 -4.477 12.336 0.00 0.00 WAT1 ATOM 3509 H2 TIP3 712 5.929 -5.332 13.368 0.00 0.00 WAT1 ATOM 3510 OH2 TIP3 713 -8.035 -6.801 11.008 0.00 0.00 WAT1 ATOM 3511 H1 TIP3 713 -8.254 -6.271 10.242 0.00 0.00 WAT1 ATOM 3512 H2 TIP3 713 -8.703 -6.574 11.656 0.00 0.00 WAT1 ATOM 3513 OH2 TIP3 714 -0.666 2.699 4.552 0.00 0.00 WAT1 ATOM 3514 H1 TIP3 714 -0.962 2.377 3.701 0.00 0.00 WAT1 ATOM 3515 H2 TIP3 714 -0.990 3.599 4.594 0.00 0.00 WAT1 ATOM 3516 OH2 TIP3 715 -5.466 0.875 11.296 0.00 0.00 WAT1 ATOM 3517 H1 TIP3 715 -6.206 1.473 11.399 0.00 0.00 WAT1 ATOM 3518 H2 TIP3 715 -4.752 1.429 10.980 0.00 0.00 WAT1 ATOM 3519 OH2 TIP3 716 2.641 -6.297 7.316 0.00 0.00 WAT1 ATOM 3520 H1 TIP3 716 2.426 -7.063 7.848 0.00 0.00 WAT1 ATOM 3521 H2 TIP3 716 3.297 -5.825 7.829 0.00 0.00 WAT1 ATOM 3522 OH2 TIP3 717 -7.058 2.839 12.083 0.00 0.00 WAT1 ATOM 3523 H1 TIP3 717 -7.064 3.718 11.705 0.00 0.00 WAT1 ATOM 3524 H2 TIP3 717 -7.912 2.756 12.508 0.00 0.00 WAT1 ATOM 3525 OH2 TIP3 718 2.988 -7.582 10.995 0.00 0.00 WAT1 ATOM 3526 H1 TIP3 718 2.252 -6.971 10.957 0.00 0.00 WAT1 ATOM 3527 H2 TIP3 718 3.672 -7.167 10.469 0.00 0.00 WAT1 ATOM 3528 OH2 TIP3 719 -4.009 -9.495 8.461 0.00 0.00 WAT1 ATOM 3529 H1 TIP3 719 -4.126 -10.444 8.407 0.00 0.00 WAT1 ATOM 3530 H2 TIP3 719 -4.864 -9.163 8.734 0.00 0.00 WAT1 ATOM 3531 OH2 TIP3 720 0.940 5.913 6.203 0.00 0.00 WAT1 ATOM 3532 H1 TIP3 720 1.365 5.206 5.718 0.00 0.00 WAT1 ATOM 3533 H2 TIP3 720 1.257 6.714 5.786 0.00 0.00 WAT1 ATOM 3534 OH2 TIP3 721 2.099 3.814 4.712 0.00 0.00 WAT1 ATOM 3535 H1 TIP3 721 1.842 3.124 4.100 0.00 0.00 WAT1 ATOM 3536 H2 TIP3 721 2.170 3.371 5.557 0.00 0.00 WAT1 ATOM 3537 OH2 TIP3 722 -1.742 -0.658 2.961 0.00 0.00 WAT1 ATOM 3538 H1 TIP3 722 -2.454 -0.123 2.610 0.00 0.00 WAT1 ATOM 3539 H2 TIP3 722 -1.051 -0.602 2.301 0.00 0.00 WAT1 ATOM 3540 OH2 TIP3 723 1.664 -0.448 3.913 0.00 0.00 WAT1 ATOM 3541 H1 TIP3 723 0.932 -0.220 4.486 0.00 0.00 WAT1 ATOM 3542 H2 TIP3 723 2.111 -1.162 4.368 0.00 0.00 WAT1 ATOM 3543 OH2 TIP3 724 -6.324 -1.049 9.429 0.00 0.00 WAT1 ATOM 3544 H1 TIP3 724 -5.759 -0.928 8.666 0.00 0.00 WAT1 ATOM 3545 H2 TIP3 724 -6.005 -0.412 10.068 0.00 0.00 WAT1 ATOM 3546 OH2 TIP3 725 -0.015 4.454 10.163 0.00 0.00 WAT1 ATOM 3547 H1 TIP3 725 -0.256 5.116 10.811 0.00 0.00 WAT1 ATOM 3548 H2 TIP3 725 -0.213 3.620 10.588 0.00 0.00 WAT1 ATOM 3549 OH2 TIP3 726 -5.444 3.350 14.146 0.00 0.00 WAT1 ATOM 3550 H1 TIP3 726 -5.756 4.132 14.602 0.00 0.00 WAT1 ATOM 3551 H2 TIP3 726 -6.094 3.197 13.460 0.00 0.00 WAT1 ATOM 3552 OH2 TIP3 727 0.535 -1.286 1.598 0.00 0.00 WAT1 ATOM 3553 H1 TIP3 727 1.114 -1.136 2.345 0.00 0.00 WAT1 ATOM 3554 H2 TIP3 727 0.949 -0.815 0.875 0.00 0.00 WAT1 ATOM 3555 OH2 TIP3 728 4.233 -9.536 1.411 0.00 0.00 WAT1 ATOM 3556 H1 TIP3 728 3.334 -9.397 1.706 0.00 0.00 WAT1 ATOM 3557 H2 TIP3 728 4.485 -8.705 1.009 0.00 0.00 WAT1 ATOM 3558 OH2 TIP3 729 -11.857 4.395 9.084 0.00 0.00 WAT1 ATOM 3559 H1 TIP3 729 -10.911 4.251 9.065 0.00 0.00 WAT1 ATOM 3560 H2 TIP3 729 -11.970 5.179 9.621 0.00 0.00 WAT1 ATOM 3561 OH2 TIP3 730 -2.681 4.635 13.642 0.00 0.00 WAT1 ATOM 3562 H1 TIP3 730 -2.594 5.461 14.117 0.00 0.00 WAT1 ATOM 3563 H2 TIP3 730 -3.545 4.305 13.891 0.00 0.00 WAT1 ATOM 3564 OH2 TIP3 731 -2.267 8.407 3.448 0.00 0.00 WAT1 ATOM 3565 H1 TIP3 731 -2.342 8.286 2.502 0.00 0.00 WAT1 ATOM 3566 H2 TIP3 731 -2.234 9.357 3.567 0.00 0.00 WAT1 ATOM 3567 OH2 TIP3 732 -8.613 7.196 5.229 0.00 0.00 WAT1 ATOM 3568 H1 TIP3 732 -8.461 6.848 6.108 0.00 0.00 WAT1 ATOM 3569 H2 TIP3 732 -9.464 6.840 4.974 0.00 0.00 WAT1 ATOM 3570 OH2 TIP3 733 0.835 7.561 0.451 0.00 0.00 WAT1 ATOM 3571 H1 TIP3 733 1.210 6.817 -0.020 0.00 0.00 WAT1 ATOM 3572 H2 TIP3 733 0.839 7.291 1.369 0.00 0.00 WAT1 ATOM 3573 OH2 TIP3 734 0.504 7.487 3.200 0.00 0.00 WAT1 ATOM 3574 H1 TIP3 734 -0.431 7.587 3.379 0.00 0.00 WAT1 ATOM 3575 H2 TIP3 734 0.784 6.778 3.778 0.00 0.00 WAT1 ATOM 3576 OH2 TIP3 735 3.492 -3.446 15.246 0.00 0.00 WAT1 ATOM 3577 H1 TIP3 735 3.085 -2.965 14.526 0.00 0.00 WAT1 ATOM 3578 H2 TIP3 735 3.533 -4.351 14.939 0.00 0.00 WAT1 ATOM 3579 OH2 TIP3 736 -9.359 2.938 13.243 0.00 0.00 WAT1 ATOM 3580 H1 TIP3 736 -9.142 2.577 14.103 0.00 0.00 WAT1 ATOM 3581 H2 TIP3 736 -10.214 2.564 13.033 0.00 0.00 WAT1 ATOM 3582 OH2 TIP3 737 -6.740 -8.592 9.239 0.00 0.00 WAT1 ATOM 3583 H1 TIP3 737 -7.601 -8.679 8.831 0.00 0.00 WAT1 ATOM 3584 H2 TIP3 737 -6.762 -7.736 9.666 0.00 0.00 WAT1 ATOM 3585 OH2 TIP3 738 1.249 -5.114 13.467 0.00 0.00 WAT1 ATOM 3586 H1 TIP3 738 0.735 -5.240 14.264 0.00 0.00 WAT1 ATOM 3587 H2 TIP3 738 1.094 -4.202 13.222 0.00 0.00 WAT1 ATOM 3588 OH2 TIP3 739 2.012 -0.253 -0.772 0.00 0.00 WAT1 ATOM 3589 H1 TIP3 739 2.054 -0.476 -1.702 0.00 0.00 WAT1 ATOM 3590 H2 TIP3 739 2.861 0.145 -0.582 0.00 0.00 WAT1 ATOM 3591 OH2 TIP3 740 -6.649 -3.626 10.334 0.00 0.00 WAT1 ATOM 3592 H1 TIP3 740 -7.291 -3.667 11.043 0.00 0.00 WAT1 ATOM 3593 H2 TIP3 740 -6.612 -2.700 10.096 0.00 0.00 WAT1 ATOM 3594 OH2 TIP3 741 -6.652 -3.405 5.246 0.00 0.00 WAT1 ATOM 3595 H1 TIP3 741 -7.545 -3.746 5.187 0.00 0.00 WAT1 ATOM 3596 H2 TIP3 741 -6.201 -3.782 4.490 0.00 0.00 WAT1 ATOM 3597 OH2 TIP3 742 -1.116 -2.989 4.063 0.00 0.00 WAT1 ATOM 3598 H1 TIP3 742 -1.525 -2.174 3.771 0.00 0.00 WAT1 ATOM 3599 H2 TIP3 742 -0.396 -3.129 3.448 0.00 0.00 WAT1 ATOM 3600 OH2 TIP3 743 -0.112 -3.543 6.877 0.00 0.00 WAT1 ATOM 3601 H1 TIP3 743 -0.307 -2.938 6.162 0.00 0.00 WAT1 ATOM 3602 H2 TIP3 743 0.070 -4.377 6.442 0.00 0.00 WAT1 ATOM 3603 OH2 TIP3 744 -12.291 -6.190 6.051 0.00 0.00 WAT1 ATOM 3604 H1 TIP3 744 -11.660 -6.219 6.771 0.00 0.00 WAT1 ATOM 3605 H2 TIP3 744 -11.841 -6.615 5.321 0.00 0.00 WAT1 ATOM 3606 OH2 TIP3 745 -0.848 -1.905 11.548 0.00 0.00 WAT1 ATOM 3607 H1 TIP3 745 -0.524 -2.536 10.905 0.00 0.00 WAT1 ATOM 3608 H2 TIP3 745 -1.288 -2.440 12.209 0.00 0.00 WAT1 ATOM 3609 OH2 TIP3 746 -4.070 -5.978 6.332 0.00 0.00 WAT1 ATOM 3610 H1 TIP3 746 -4.981 -5.921 6.621 0.00 0.00 WAT1 ATOM 3611 H2 TIP3 746 -3.565 -6.038 7.143 0.00 0.00 WAT1 ATOM 3612 OH2 TIP3 747 -9.242 -4.349 5.159 0.00 0.00 WAT1 ATOM 3613 H1 TIP3 747 -10.131 -4.249 4.819 0.00 0.00 WAT1 ATOM 3614 H2 TIP3 747 -8.946 -5.191 4.813 0.00 0.00 WAT1 ATOM 3615 OH2 TIP3 748 0.335 -6.743 9.596 0.00 0.00 WAT1 ATOM 3616 H1 TIP3 748 -0.342 -6.612 10.260 0.00 0.00 WAT1 ATOM 3617 H2 TIP3 748 -0.151 -6.898 8.786 0.00 0.00 WAT1 ATOM 3618 OH2 TIP3 749 -2.750 -3.190 8.219 0.00 0.00 WAT1 ATOM 3619 H1 TIP3 749 -2.186 -3.737 7.672 0.00 0.00 WAT1 ATOM 3620 H2 TIP3 749 -2.898 -3.712 9.008 0.00 0.00 WAT1 ATOM 3621 OH2 TIP3 750 -7.748 -7.054 4.637 0.00 0.00 WAT1 ATOM 3622 H1 TIP3 750 -8.065 -7.956 4.602 0.00 0.00 WAT1 ATOM 3623 H2 TIP3 750 -6.967 -7.052 4.085 0.00 0.00 WAT1 ATOM 3624 OH2 TIP3 751 0.318 -5.775 0.517 0.00 0.00 WAT1 ATOM 3625 H1 TIP3 751 -0.620 -5.663 0.366 0.00 0.00 WAT1 ATOM 3626 H2 TIP3 751 0.615 -4.918 0.823 0.00 0.00 WAT1 ATOM 3627 OH2 TIP3 752 -2.060 1.595 13.555 0.00 0.00 WAT1 ATOM 3628 H1 TIP3 752 -2.406 1.214 14.361 0.00 0.00 WAT1 ATOM 3629 H2 TIP3 752 -2.260 2.529 13.626 0.00 0.00 WAT1 ATOM 3630 OH2 TIP3 753 1.036 -3.908 2.178 0.00 0.00 WAT1 ATOM 3631 H1 TIP3 753 1.928 -4.045 2.497 0.00 0.00 WAT1 ATOM 3632 H2 TIP3 753 1.093 -3.117 1.641 0.00 0.00 WAT1 ATOM 3633 OH2 TIP3 754 -8.455 0.706 8.087 0.00 0.00 WAT1 ATOM 3634 H1 TIP3 754 -7.710 0.704 7.486 0.00 0.00 WAT1 ATOM 3635 H2 TIP3 754 -8.377 -0.118 8.569 0.00 0.00 WAT1 ATOM 3636 OH2 TIP3 755 1.377 -0.104 9.359 0.00 0.00 WAT1 ATOM 3637 H1 TIP3 755 0.449 -0.336 9.332 0.00 0.00 WAT1 ATOM 3638 H2 TIP3 755 1.828 -0.881 9.029 0.00 0.00 WAT1 ATOM 3639 OH2 TIP3 756 -4.138 6.036 11.383 0.00 0.00 WAT1 ATOM 3640 H1 TIP3 756 -3.775 6.891 11.150 0.00 0.00 WAT1 ATOM 3641 H2 TIP3 756 -3.606 5.744 12.124 0.00 0.00 WAT1 ATOM 3642 OH2 TIP3 757 -0.594 2.135 11.084 0.00 0.00 WAT1 ATOM 3643 H1 TIP3 757 -1.020 1.908 11.910 0.00 0.00 WAT1 ATOM 3644 H2 TIP3 757 -0.013 1.397 10.901 0.00 0.00 WAT1 ATOM 3645 OH2 TIP3 758 1.609 3.064 0.158 0.00 0.00 WAT1 ATOM 3646 H1 TIP3 758 1.962 2.684 0.962 0.00 0.00 WAT1 ATOM 3647 H2 TIP3 758 0.660 2.971 0.244 0.00 0.00 WAT1 ATOM 3648 OH2 TIP3 759 -9.813 -6.080 12.960 0.00 0.00 WAT1 ATOM 3649 H1 TIP3 759 -10.706 -5.741 12.893 0.00 0.00 WAT1 ATOM 3650 H2 TIP3 759 -9.912 -6.935 13.378 0.00 0.00 WAT1 ATOM 3651 OH2 TIP3 760 2.475 1.737 2.384 0.00 0.00 WAT1 ATOM 3652 H1 TIP3 760 2.198 1.009 2.940 0.00 0.00 WAT1 ATOM 3653 H2 TIP3 760 3.402 1.856 2.590 0.00 0.00 WAT1 ATOM 3654 OH2 TIP3 761 -10.162 5.725 11.395 0.00 0.00 WAT1 ATOM 3655 H1 TIP3 761 -9.945 4.793 11.364 0.00 0.00 WAT1 ATOM 3656 H2 TIP3 761 -9.915 5.999 12.279 0.00 0.00 WAT1 ATOM 3657 OH2 TIP3 762 -1.078 -6.339 11.850 0.00 0.00 WAT1 ATOM 3658 H1 TIP3 762 -0.380 -6.265 12.500 0.00 0.00 WAT1 ATOM 3659 H2 TIP3 762 -1.459 -7.203 12.005 0.00 0.00 WAT1 ATOM 3660 OH2 TIP3 763 -0.294 -6.687 2.947 0.00 0.00 WAT1 ATOM 3661 H1 TIP3 763 -0.074 -6.215 2.144 0.00 0.00 WAT1 ATOM 3662 H2 TIP3 763 0.264 -6.292 3.618 0.00 0.00 WAT1 ATOM 3663 OH2 TIP3 764 -3.094 -4.959 3.782 0.00 0.00 WAT1 ATOM 3664 H1 TIP3 764 -2.282 -4.455 3.828 0.00 0.00 WAT1 ATOM 3665 H2 TIP3 764 -3.339 -5.104 4.696 0.00 0.00 WAT1 ATOM 3666 OH2 TIP3 765 -2.558 -3.973 12.967 0.00 0.00 WAT1 ATOM 3667 H1 TIP3 765 -2.439 -3.399 13.724 0.00 0.00 WAT1 ATOM 3668 H2 TIP3 765 -1.903 -4.661 13.082 0.00 0.00 WAT1 ATOM 3669 OH2 TIP3 766 -2.210 -7.878 4.720 0.00 0.00 WAT1 ATOM 3670 H1 TIP3 766 -2.557 -7.260 5.365 0.00 0.00 WAT1 ATOM 3671 H2 TIP3 766 -1.552 -7.377 4.239 0.00 0.00 WAT1 ATOM 3672 OH2 TIP3 767 3.646 -6.066 13.802 0.00 0.00 WAT1 ATOM 3673 H1 TIP3 767 2.730 -5.803 13.714 0.00 0.00 WAT1 ATOM 3674 H2 TIP3 767 3.982 -6.069 12.905 0.00 0.00 WAT1 ATOM 3675 OH2 TIP3 768 -9.170 -8.941 8.257 0.00 0.00 WAT1 ATOM 3676 H1 TIP3 768 -9.399 -8.882 7.330 0.00 0.00 WAT1 ATOM 3677 H2 TIP3 768 -9.613 -9.733 8.564 0.00 0.00 WAT1 ATOM 3678 OH2 TIP3 769 -10.240 4.999 4.418 0.00 0.00 WAT1 ATOM 3679 H1 TIP3 769 -11.072 5.472 4.445 0.00 0.00 WAT1 ATOM 3680 H2 TIP3 769 -9.694 5.509 3.819 0.00 0.00 WAT1 ATOM 3681 OH2 TIP3 770 -2.262 6.039 -1.257 0.00 0.00 WAT1 ATOM 3682 H1 TIP3 770 -2.906 5.408 -0.935 0.00 0.00 WAT1 ATOM 3683 H2 TIP3 770 -1.500 5.508 -1.489 0.00 0.00 WAT1 ATOM 3684 OH2 TIP3 771 2.342 5.856 -1.023 0.00 0.00 WAT1 ATOM 3685 H1 TIP3 771 2.625 5.062 -0.570 0.00 0.00 WAT1 ATOM 3686 H2 TIP3 771 3.082 6.089 -1.584 0.00 0.00 WAT1 ATOM 3687 OH2 TIP3 772 -1.351 2.813 -1.430 0.00 0.00 WAT1 ATOM 3688 H1 TIP3 772 -1.619 2.993 -0.529 0.00 0.00 WAT1 ATOM 3689 H2 TIP3 772 -1.557 1.887 -1.561 0.00 0.00 WAT1 ATOM 3690 OH2 TIP3 773 4.907 0.336 -1.152 0.00 0.00 WAT1 ATOM 3691 H1 TIP3 773 4.634 -0.089 -1.965 0.00 0.00 WAT1 ATOM 3692 H2 TIP3 773 4.947 1.267 -1.369 0.00 0.00 WAT1 ATOM 3693 OH2 TIP3 774 -5.925 -5.014 14.579 0.00 0.00 WAT1 ATOM 3694 H1 TIP3 774 -5.775 -5.743 13.976 0.00 0.00 WAT1 ATOM 3695 H2 TIP3 774 -5.923 -4.237 14.020 0.00 0.00 WAT1 ATOM 3696 OH2 TIP3 775 -5.513 -6.644 12.071 0.00 0.00 WAT1 ATOM 3697 H1 TIP3 775 -4.977 -6.193 11.419 0.00 0.00 WAT1 ATOM 3698 H2 TIP3 775 -6.365 -6.752 11.649 0.00 0.00 WAT1 ATOM 3699 OH2 TIP3 776 -3.931 -1.205 12.311 0.00 0.00 WAT1 ATOM 3700 H1 TIP3 776 -3.180 -1.361 11.738 0.00 0.00 WAT1 ATOM 3701 H2 TIP3 776 -4.270 -0.353 12.035 0.00 0.00 WAT1 ATOM 3702 OH2 TIP3 777 0.485 -3.390 17.339 0.00 0.00 WAT1 ATOM 3703 H1 TIP3 777 0.677 -4.321 17.228 0.00 0.00 WAT1 ATOM 3704 H2 TIP3 777 1.342 -2.965 17.329 0.00 0.00 WAT1 ATOM 3705 OH2 TIP3 778 -4.707 -9.188 12.503 0.00 0.00 WAT1 ATOM 3706 H1 TIP3 778 -4.805 -8.241 12.397 0.00 0.00 WAT1 ATOM 3707 H2 TIP3 778 -5.450 -9.560 12.027 0.00 0.00 WAT1 ATOM 3708 OH2 TIP3 779 -3.443 -4.866 16.066 0.00 0.00 WAT1 ATOM 3709 H1 TIP3 779 -3.679 -5.086 16.968 0.00 0.00 WAT1 ATOM 3710 H2 TIP3 779 -4.226 -5.073 15.557 0.00 0.00 WAT1 ATOM 3711 OH2 TIP3 780 -0.727 -5.739 15.142 0.00 0.00 WAT1 ATOM 3712 H1 TIP3 780 -1.675 -5.707 15.274 0.00 0.00 WAT1 ATOM 3713 H2 TIP3 780 -0.415 -6.364 15.796 0.00 0.00 WAT1 ATOM 3714 OH2 TIP3 781 0.907 -7.105 17.147 0.00 0.00 WAT1 ATOM 3715 H1 TIP3 781 0.810 -8.057 17.141 0.00 0.00 WAT1 ATOM 3716 H2 TIP3 781 0.585 -6.836 18.008 0.00 0.00 WAT1 ATOM 3717 OH2 TIP3 782 -9.266 -5.895 16.195 0.00 0.00 WAT1 ATOM 3718 H1 TIP3 782 -9.055 -6.602 15.584 0.00 0.00 WAT1 ATOM 3719 H2 TIP3 782 -9.378 -6.333 17.039 0.00 0.00 WAT1 ATOM 3720 OH2 TIP3 783 -4.132 -8.211 17.228 0.00 0.00 WAT1 ATOM 3721 H1 TIP3 783 -4.263 -8.687 16.407 0.00 0.00 WAT1 ATOM 3722 H2 TIP3 783 -4.731 -7.467 17.172 0.00 0.00 WAT1 ATOM 3723 OH2 TIP3 784 -4.585 8.672 0.404 0.00 0.00 WAT1 ATOM 3724 H1 TIP3 784 -3.652 8.830 0.548 0.00 0.00 WAT1 ATOM 3725 H2 TIP3 784 -4.849 9.347 -0.221 0.00 0.00 WAT1 ATOM 3726 OH2 TIP3 785 -12.368 8.701 4.964 0.00 0.00 WAT1 ATOM 3727 H1 TIP3 785 -13.015 8.239 4.431 0.00 0.00 WAT1 ATOM 3728 H2 TIP3 785 -12.013 8.029 5.547 0.00 0.00 WAT1 ATOM 3729 OH2 TIP3 786 -11.498 6.782 6.769 0.00 0.00 WAT1 ATOM 3730 H1 TIP3 786 -11.832 5.901 6.941 0.00 0.00 WAT1 ATOM 3731 H2 TIP3 786 -11.276 7.127 7.633 0.00 0.00 WAT1 ATOM 3732 OH2 TIP3 787 4.377 -3.601 -0.411 0.00 0.00 WAT1 ATOM 3733 H1 TIP3 787 4.474 -2.934 -1.091 0.00 0.00 WAT1 ATOM 3734 H2 TIP3 787 4.237 -4.417 -0.893 0.00 0.00 WAT1 ATOM 3735 OH2 TIP3 788 -11.418 -0.143 9.220 0.00 0.00 WAT1 ATOM 3736 H1 TIP3 788 -11.234 -0.225 8.285 0.00 0.00 WAT1 ATOM 3737 H2 TIP3 788 -10.569 -0.267 9.644 0.00 0.00 WAT1 ATOM 3738 OH2 TIP3 789 3.625 -6.193 -1.294 0.00 0.00 WAT1 ATOM 3739 H1 TIP3 789 4.235 -6.565 -0.657 0.00 0.00 WAT1 ATOM 3740 H2 TIP3 789 2.788 -6.615 -1.098 0.00 0.00 WAT1 ATOM 3741 OH2 TIP3 790 -11.820 -4.872 15.361 0.00 0.00 WAT1 ATOM 3742 H1 TIP3 790 -10.901 -4.994 15.597 0.00 0.00 WAT1 ATOM 3743 H2 TIP3 790 -12.270 -5.622 15.750 0.00 0.00 WAT1 ATOM 3744 OH2 TIP3 791 3.871 -7.375 3.721 0.00 0.00 WAT1 ATOM 3745 H1 TIP3 791 4.053 -7.824 4.546 0.00 0.00 WAT1 ATOM 3746 H2 TIP3 791 3.271 -7.960 3.257 0.00 0.00 WAT1 ATOM 3747 OH2 TIP3 792 -10.599 -6.560 8.252 0.00 0.00 WAT1 ATOM 3748 H1 TIP3 792 -10.154 -7.352 8.554 0.00 0.00 WAT1 ATOM 3749 H2 TIP3 792 -10.133 -5.844 8.683 0.00 0.00 WAT1 ATOM 3750 OH2 TIP3 793 5.701 -7.231 15.587 0.00 0.00 WAT1 ATOM 3751 H1 TIP3 793 4.784 -6.960 15.551 0.00 0.00 WAT1 ATOM 3752 H2 TIP3 793 5.824 -7.766 14.803 0.00 0.00 WAT1 ATOM 3753 OH2 TIP3 794 -11.982 -7.303 3.376 0.00 0.00 WAT1 ATOM 3754 H1 TIP3 794 -12.907 -7.094 3.246 0.00 0.00 WAT1 ATOM 3755 H2 TIP3 794 -11.528 -6.819 2.686 0.00 0.00 WAT1 ATOM 3756 OH2 TIP3 795 -6.872 5.585 12.123 0.00 0.00 WAT1 ATOM 3757 H1 TIP3 795 -7.297 6.394 11.840 0.00 0.00 WAT1 ATOM 3758 H2 TIP3 795 -5.967 5.670 11.821 0.00 0.00 WAT1 ATOM 3759 OH2 TIP3 796 -7.003 8.441 11.200 0.00 0.00 WAT1 ATOM 3760 H1 TIP3 796 -7.868 8.513 11.604 0.00 0.00 WAT1 ATOM 3761 H2 TIP3 796 -7.058 8.988 10.416 0.00 0.00 WAT1 ATOM 3762 OH2 TIP3 797 -2.292 8.329 10.376 0.00 0.00 WAT1 ATOM 3763 H1 TIP3 797 -2.749 8.858 9.722 0.00 0.00 WAT1 ATOM 3764 H2 TIP3 797 -2.129 8.932 11.101 0.00 0.00 WAT1 ATOM 3765 OH2 TIP3 798 0.035 7.207 11.321 0.00 0.00 WAT1 ATOM 3766 H1 TIP3 798 -0.869 7.372 11.055 0.00 0.00 WAT1 ATOM 3767 H2 TIP3 798 0.464 8.060 11.255 0.00 0.00 WAT1 ATOM 3768 OH2 TIP3 799 -10.055 7.464 9.081 0.00 0.00 WAT1 ATOM 3769 H1 TIP3 799 -10.074 7.039 9.938 0.00 0.00 WAT1 ATOM 3770 H2 TIP3 799 -9.250 7.146 8.672 0.00 0.00 WAT1 ATOM 3771 OH2 TIP3 800 -7.914 6.174 7.736 0.00 0.00 WAT1 ATOM 3772 H1 TIP3 800 -8.133 5.258 7.905 0.00 0.00 WAT1 ATOM 3773 H2 TIP3 800 -7.090 6.314 8.202 0.00 0.00 WAT1 ATOM 3774 OH2 TIP3 801 -5.377 6.644 8.584 0.00 0.00 WAT1 ATOM 3775 H1 TIP3 801 -5.164 5.756 8.297 0.00 0.00 WAT1 ATOM 3776 H2 TIP3 801 -5.312 6.610 9.539 0.00 0.00 WAT1 ATOM 3777 OH2 TIP3 802 -1.868 -7.692 7.729 0.00 0.00 WAT1 ATOM 3778 H1 TIP3 802 -2.543 -8.321 7.984 0.00 0.00 WAT1 ATOM 3779 H2 TIP3 802 -1.304 -8.176 7.126 0.00 0.00 WAT1 ATOM 3780 OH2 TIP3 803 5.001 -8.446 6.175 0.00 0.00 WAT1 ATOM 3781 H1 TIP3 803 5.613 -8.960 5.648 0.00 0.00 WAT1 ATOM 3782 H2 TIP3 803 5.384 -7.568 6.198 0.00 0.00 WAT1 ATOM 3783 OH2 TIP3 804 -9.542 -9.058 5.551 0.00 0.00 WAT1 ATOM 3784 H1 TIP3 804 -10.319 -9.292 5.043 0.00 0.00 WAT1 ATOM 3785 H2 TIP3 804 -9.011 -9.855 5.559 0.00 0.00 WAT1 ATOM 3786 OH2 TIP3 805 -4.962 -9.131 5.364 0.00 0.00 WAT1 ATOM 3787 H1 TIP3 805 -4.088 -8.743 5.334 0.00 0.00 WAT1 ATOM 3788 H2 TIP3 805 -5.098 -9.346 6.287 0.00 0.00 WAT1 ATOM 3789 OH2 TIP3 806 0.595 -9.101 7.013 0.00 0.00 WAT1 ATOM 3790 H1 TIP3 806 0.671 -9.006 6.064 0.00 0.00 WAT1 ATOM 3791 H2 TIP3 806 0.319 -10.009 7.142 0.00 0.00 WAT1 ATOM 3792 OH2 TIP3 807 1.948 -9.075 2.706 0.00 0.00 WAT1 ATOM 3793 H1 TIP3 807 1.245 -8.461 2.496 0.00 0.00 WAT1 ATOM 3794 H2 TIP3 807 1.503 -9.913 2.837 0.00 0.00 WAT1 ATOM 3795 OH2 TIP3 808 -10.804 6.688 2.252 0.00 0.00 WAT1 ATOM 3796 H1 TIP3 808 -11.489 6.650 1.584 0.00 0.00 WAT1 ATOM 3797 H2 TIP3 808 -10.801 7.601 2.540 0.00 0.00 WAT1 ATOM 3798 OH2 TIP3 809 -1.940 7.898 0.649 0.00 0.00 WAT1 ATOM 3799 H1 TIP3 809 -1.074 8.264 0.471 0.00 0.00 WAT1 ATOM 3800 H2 TIP3 809 -2.187 7.458 -0.164 0.00 0.00 WAT1 ATOM 3801 OH2 TIP3 810 -7.611 -9.193 16.604 0.00 0.00 WAT1 ATOM 3802 H1 TIP3 810 -6.712 -9.467 16.419 0.00 0.00 WAT1 ATOM 3803 H2 TIP3 810 -7.997 -9.936 17.068 0.00 0.00 WAT1 ATOM 3804 OH2 TIP3 811 -8.986 7.608 -0.723 0.00 0.00 WAT1 ATOM 3805 H1 TIP3 811 -9.254 7.895 0.150 0.00 0.00 WAT1 ATOM 3806 H2 TIP3 811 -8.215 7.062 -0.571 0.00 0.00 WAT1 ATOM 3807 OH2 TIP3 812 -0.463 0.098 24.365 0.00 0.00 WAT1 ATOM 3808 H1 TIP3 812 -0.374 1.042 24.233 0.00 0.00 WAT1 ATOM 3809 H2 TIP3 812 -1.102 -0.177 23.707 0.00 0.00 WAT1 ATOM 3810 OH2 TIP3 813 5.522 -6.613 29.051 0.00 0.00 WAT1 ATOM 3811 H1 TIP3 813 5.571 -6.003 29.787 0.00 0.00 WAT1 ATOM 3812 H2 TIP3 813 5.948 -6.152 28.328 0.00 0.00 WAT1 ATOM 3813 OH2 TIP3 814 0.000 -3.820 28.518 0.00 0.00 WAT1 ATOM 3814 H1 TIP3 814 0.143 -4.767 28.538 0.00 0.00 WAT1 ATOM 3815 H2 TIP3 814 -0.106 -3.613 27.589 0.00 0.00 WAT1 ATOM 3816 OH2 TIP3 815 -6.845 -5.719 25.790 0.00 0.00 WAT1 ATOM 3817 H1 TIP3 815 -6.802 -4.859 25.372 0.00 0.00 WAT1 ATOM 3818 H2 TIP3 815 -7.303 -6.271 25.157 0.00 0.00 WAT1 ATOM 3819 OH2 TIP3 816 -5.069 -1.772 25.768 0.00 0.00 WAT1 ATOM 3820 H1 TIP3 816 -4.453 -2.298 26.277 0.00 0.00 WAT1 ATOM 3821 H2 TIP3 816 -5.655 -2.412 25.364 0.00 0.00 WAT1 ATOM 3822 OH2 TIP3 817 2.641 -6.297 26.172 0.00 0.00 WAT1 ATOM 3823 H1 TIP3 817 2.426 -7.063 26.704 0.00 0.00 WAT1 ATOM 3824 H2 TIP3 817 3.297 -5.825 26.685 0.00 0.00 WAT1 ATOM 3825 OH2 TIP3 818 2.988 -7.582 29.851 0.00 0.00 WAT1 ATOM 3826 H1 TIP3 818 2.252 -6.971 29.813 0.00 0.00 WAT1 ATOM 3827 H2 TIP3 818 3.672 -7.167 29.325 0.00 0.00 WAT1 ATOM 3828 OH2 TIP3 819 -4.009 -9.495 27.317 0.00 0.00 WAT1 ATOM 3829 H1 TIP3 819 -4.126 -10.444 27.263 0.00 0.00 WAT1 ATOM 3830 H2 TIP3 819 -4.864 -9.163 27.590 0.00 0.00 WAT1 ATOM 3831 OH2 TIP3 820 -1.742 -0.658 21.817 0.00 0.00 WAT1 ATOM 3832 H1 TIP3 820 -2.454 -0.123 21.466 0.00 0.00 WAT1 ATOM 3833 H2 TIP3 820 -1.051 -0.602 21.157 0.00 0.00 WAT1 ATOM 3834 OH2 TIP3 821 -1.688 -2.200 18.856 0.00 0.00 WAT1 ATOM 3835 H1 TIP3 821 -0.987 -2.178 19.507 0.00 0.00 WAT1 ATOM 3836 H2 TIP3 821 -1.386 -2.828 18.200 0.00 0.00 WAT1 ATOM 3837 OH2 TIP3 822 1.664 -0.448 22.769 0.00 0.00 WAT1 ATOM 3838 H1 TIP3 822 0.932 -0.220 23.342 0.00 0.00 WAT1 ATOM 3839 H2 TIP3 822 2.111 -1.162 23.224 0.00 0.00 WAT1 ATOM 3840 OH2 TIP3 823 0.535 -1.286 20.454 0.00 0.00 WAT1 ATOM 3841 H1 TIP3 823 1.114 -1.136 21.201 0.00 0.00 WAT1 ATOM 3842 H2 TIP3 823 0.949 -0.815 19.731 0.00 0.00 WAT1 ATOM 3843 OH2 TIP3 824 -2.415 -6.377 18.754 0.00 0.00 WAT1 ATOM 3844 H1 TIP3 824 -2.669 -6.358 19.677 0.00 0.00 WAT1 ATOM 3845 H2 TIP3 824 -2.672 -7.249 18.453 0.00 0.00 WAT1 ATOM 3846 OH2 TIP3 825 -6.652 -3.405 24.102 0.00 0.00 WAT1 ATOM 3847 H1 TIP3 825 -7.545 -3.746 24.043 0.00 0.00 WAT1 ATOM 3848 H2 TIP3 825 -6.201 -3.782 23.346 0.00 0.00 WAT1 ATOM 3849 OH2 TIP3 826 -1.116 -2.989 22.919 0.00 0.00 WAT1 ATOM 3850 H1 TIP3 826 -1.525 -2.174 22.627 0.00 0.00 WAT1 ATOM 3851 H2 TIP3 826 -0.396 -3.129 22.304 0.00 0.00 WAT1 ATOM 3852 OH2 TIP3 827 -0.112 -3.543 25.733 0.00 0.00 WAT1 ATOM 3853 H1 TIP3 827 -0.307 -2.938 25.018 0.00 0.00 WAT1 ATOM 3854 H2 TIP3 827 0.070 -4.377 25.298 0.00 0.00 WAT1 ATOM 3855 OH2 TIP3 828 -5.533 -5.932 17.855 0.00 0.00 WAT1 ATOM 3856 H1 TIP3 828 -5.964 -6.377 18.585 0.00 0.00 WAT1 ATOM 3857 H2 TIP3 828 -6.251 -5.560 17.343 0.00 0.00 WAT1 ATOM 3858 OH2 TIP3 829 -4.070 -5.978 25.188 0.00 0.00 WAT1 ATOM 3859 H1 TIP3 829 -4.981 -5.921 25.477 0.00 0.00 WAT1 ATOM 3860 H2 TIP3 829 -3.565 -6.038 25.999 0.00 0.00 WAT1 ATOM 3861 OH2 TIP3 830 -5.589 -4.349 21.671 0.00 0.00 WAT1 ATOM 3862 H1 TIP3 830 -4.657 -4.220 21.849 0.00 0.00 WAT1 ATOM 3863 H2 TIP3 830 -5.804 -3.679 21.022 0.00 0.00 WAT1 ATOM 3864 OH2 TIP3 831 0.335 -6.743 28.452 0.00 0.00 WAT1 ATOM 3865 H1 TIP3 831 -0.342 -6.612 29.116 0.00 0.00 WAT1 ATOM 3866 H2 TIP3 831 -0.151 -6.898 27.642 0.00 0.00 WAT1 ATOM 3867 OH2 TIP3 832 -2.750 -3.190 27.075 0.00 0.00 WAT1 ATOM 3868 H1 TIP3 832 -2.186 -3.737 26.528 0.00 0.00 WAT1 ATOM 3869 H2 TIP3 832 -2.898 -3.712 27.864 0.00 0.00 WAT1 ATOM 3870 OH2 TIP3 833 -7.748 -7.054 23.493 0.00 0.00 WAT1 ATOM 3871 H1 TIP3 833 -8.065 -7.956 23.458 0.00 0.00 WAT1 ATOM 3872 H2 TIP3 833 -6.967 -7.052 22.941 0.00 0.00 WAT1 ATOM 3873 OH2 TIP3 834 -4.124 -4.802 29.489 0.00 0.00 WAT1 ATOM 3874 H1 TIP3 834 -4.959 -4.348 29.599 0.00 0.00 WAT1 ATOM 3875 H2 TIP3 834 -3.600 -4.526 30.241 0.00 0.00 WAT1 ATOM 3876 OH2 TIP3 835 0.318 -5.775 19.373 0.00 0.00 WAT1 ATOM 3877 H1 TIP3 835 -0.620 -5.663 19.222 0.00 0.00 WAT1 ATOM 3878 H2 TIP3 835 0.615 -4.918 19.679 0.00 0.00 WAT1 ATOM 3879 OH2 TIP3 836 1.036 -3.908 21.034 0.00 0.00 WAT1 ATOM 3880 H1 TIP3 836 1.928 -4.045 21.353 0.00 0.00 WAT1 ATOM 3881 H2 TIP3 836 1.093 -3.117 20.497 0.00 0.00 WAT1 ATOM 3882 OH2 TIP3 837 5.921 -3.698 20.728 0.00 0.00 WAT1 ATOM 3883 H1 TIP3 837 5.367 -4.094 20.056 0.00 0.00 WAT1 ATOM 3884 H2 TIP3 837 6.022 -2.788 20.451 0.00 0.00 WAT1 ATOM 3885 OH2 TIP3 838 -1.078 -6.339 30.706 0.00 0.00 WAT1 ATOM 3886 H1 TIP3 838 -0.380 -6.265 31.356 0.00 0.00 WAT1 ATOM 3887 H2 TIP3 838 -1.459 -7.203 30.861 0.00 0.00 WAT1 ATOM 3888 OH2 TIP3 839 -6.553 -6.815 20.264 0.00 0.00 WAT1 ATOM 3889 H1 TIP3 839 -6.636 -5.926 20.610 0.00 0.00 WAT1 ATOM 3890 H2 TIP3 839 -5.663 -7.080 20.495 0.00 0.00 WAT1 ATOM 3891 OH2 TIP3 840 2.248 -2.315 26.754 0.00 0.00 WAT1 ATOM 3892 H1 TIP3 840 1.451 -2.730 26.425 0.00 0.00 WAT1 ATOM 3893 H2 TIP3 840 2.693 -3.006 27.245 0.00 0.00 WAT1 ATOM 3894 OH2 TIP3 841 4.377 -3.601 18.445 0.00 0.00 WAT1 ATOM 3895 H1 TIP3 841 4.474 -2.934 17.765 0.00 0.00 WAT1 ATOM 3896 H2 TIP3 841 4.237 -4.417 17.963 0.00 0.00 WAT1 ATOM 3897 OH2 TIP3 842 3.547 -2.221 24.066 0.00 0.00 WAT1 ATOM 3898 H1 TIP3 842 3.397 -3.166 24.046 0.00 0.00 WAT1 ATOM 3899 H2 TIP3 842 3.193 -1.940 24.910 0.00 0.00 WAT1 ATOM 3900 OH2 TIP3 843 3.625 -6.193 17.562 0.00 0.00 WAT1 ATOM 3901 H1 TIP3 843 4.235 -6.565 18.199 0.00 0.00 WAT1 ATOM 3902 H2 TIP3 843 2.788 -6.615 17.758 0.00 0.00 WAT1 ATOM 3903 OH2 TIP3 844 3.257 -4.638 22.528 0.00 0.00 WAT1 ATOM 3904 H1 TIP3 844 3.537 -5.545 22.653 0.00 0.00 WAT1 ATOM 3905 H2 TIP3 844 4.016 -4.204 22.139 0.00 0.00 WAT1 ATOM 3906 OH2 TIP3 845 3.869 -4.057 27.964 0.00 0.00 WAT1 ATOM 3907 H1 TIP3 845 4.802 -3.845 27.930 0.00 0.00 WAT1 ATOM 3908 H2 TIP3 845 3.634 -3.955 28.887 0.00 0.00 WAT1 ATOM 3909 OH2 TIP3 846 5.737 -7.308 19.105 0.00 0.00 WAT1 ATOM 3910 H1 TIP3 846 6.150 -8.029 18.629 0.00 0.00 WAT1 ATOM 3911 H2 TIP3 846 6.419 -6.638 19.163 0.00 0.00 WAT1 ATOM 3912 OH2 TIP3 847 3.274 -9.585 26.697 0.00 0.00 WAT1 ATOM 3913 H1 TIP3 847 3.878 -9.037 26.196 0.00 0.00 WAT1 ATOM 3914 H2 TIP3 847 2.405 -9.265 26.457 0.00 0.00 WAT1 ATOM 3915 OH2 TIP3 848 5.001 -8.446 25.031 0.00 0.00 WAT1 ATOM 3916 H1 TIP3 848 5.613 -8.960 24.504 0.00 0.00 WAT1 ATOM 3917 H2 TIP3 848 5.384 -7.568 25.054 0.00 0.00 WAT1 ATOM 3918 OH2 TIP3 849 -9.542 -9.058 24.407 0.00 0.00 WAT1 ATOM 3919 H1 TIP3 849 -10.319 -9.292 23.899 0.00 0.00 WAT1 ATOM 3920 H2 TIP3 849 -9.011 -9.855 24.415 0.00 0.00 WAT1 ATOM 3921 OH2 TIP3 850 -10.705 -9.260 20.210 0.00 0.00 WAT1 ATOM 3922 H1 TIP3 850 -10.266 -8.649 19.619 0.00 0.00 WAT1 ATOM 3923 H2 TIP3 850 -11.339 -8.722 20.684 0.00 0.00 WAT1 ATOM 3924 OH2 TIP3 851 -4.962 -9.131 24.220 0.00 0.00 WAT1 ATOM 3925 H1 TIP3 851 -4.088 -8.743 24.190 0.00 0.00 WAT1 ATOM 3926 H2 TIP3 851 -5.098 -9.346 25.143 0.00 0.00 WAT1 ATOM 3927 OH2 TIP3 852 -8.844 -7.344 18.653 0.00 0.00 WAT1 ATOM 3928 H1 TIP3 852 -8.353 -7.974 18.125 0.00 0.00 WAT1 ATOM 3929 H2 TIP3 852 -8.221 -7.048 19.316 0.00 0.00 WAT1 ATOM 3930 OH2 TIP3 853 -3.818 -7.051 21.110 0.00 0.00 WAT1 ATOM 3931 H1 TIP3 853 -3.640 -7.697 21.793 0.00 0.00 WAT1 ATOM 3932 H2 TIP3 853 -3.872 -6.217 21.577 0.00 0.00 WAT1 ATOM 3933 OH2 TIP3 854 -4.485 8.962 -3.682 0.00 0.00 WAT1 ATOM 3934 H1 TIP3 854 -3.773 8.322 -3.696 0.00 0.00 WAT1 ATOM 3935 H2 TIP3 854 -4.586 9.229 -4.596 0.00 0.00 WAT1 ATOM 3936 OH2 TIP3 855 -4.132 10.645 -1.628 0.00 0.00 WAT1 ATOM 3937 H1 TIP3 855 -4.263 10.169 -2.449 0.00 0.00 WAT1 ATOM 3938 H2 TIP3 855 -4.731 11.389 -1.684 0.00 0.00 WAT1 ATOM 3939 OH2 TIP3 856 -12.018 10.291 -7.136 0.00 0.00 WAT1 ATOM 3940 H1 TIP3 856 -12.683 10.045 -6.493 0.00 0.00 WAT1 ATOM 3941 H2 TIP3 856 -12.461 10.913 -7.713 0.00 0.00 WAT1 ATOM 3942 OH2 TIP3 857 -9.584 10.312 -3.788 0.00 0.00 WAT1 ATOM 3943 H1 TIP3 857 -9.950 9.547 -3.345 0.00 0.00 WAT1 ATOM 3944 H2 TIP3 857 -8.671 10.341 -3.501 0.00 0.00 WAT1 ATOM 3945 OH2 TIP3 858 -7.611 9.663 -2.252 0.00 0.00 WAT1 ATOM 3946 H1 TIP3 858 -6.712 9.389 -2.437 0.00 0.00 WAT1 ATOM 3947 H2 TIP3 858 -7.997 8.920 -1.788 0.00 0.00 WAT1 ATOM 3948 OH2 TIP3 859 -4.009 9.361 8.461 0.00 0.00 WAT1 ATOM 3949 H1 TIP3 859 -4.126 8.412 8.407 0.00 0.00 WAT1 ATOM 3950 H2 TIP3 859 -4.864 9.693 8.734 0.00 0.00 WAT1 ATOM 3951 OH2 TIP3 860 -6.740 10.264 9.239 0.00 0.00 WAT1 ATOM 3952 H1 TIP3 860 -7.601 10.177 8.831 0.00 0.00 WAT1 ATOM 3953 H2 TIP3 860 -6.762 11.120 9.666 0.00 0.00 WAT1 ATOM 3954 OH2 TIP3 861 -2.210 10.978 4.720 0.00 0.00 WAT1 ATOM 3955 H1 TIP3 861 -2.557 11.596 5.365 0.00 0.00 WAT1 ATOM 3956 H2 TIP3 861 -1.552 11.479 4.239 0.00 0.00 WAT1 ATOM 3957 OH2 TIP3 862 -6.553 12.041 1.408 0.00 0.00 WAT1 ATOM 3958 H1 TIP3 862 -6.636 12.930 1.754 0.00 0.00 WAT1 ATOM 3959 H2 TIP3 862 -5.663 11.776 1.639 0.00 0.00 WAT1 ATOM 3960 OH2 TIP3 863 -9.542 9.798 5.551 0.00 0.00 WAT1 ATOM 3961 H1 TIP3 863 -10.319 9.564 5.043 0.00 0.00 WAT1 ATOM 3962 H2 TIP3 863 -9.011 9.001 5.559 0.00 0.00 WAT1 ATOM 3963 OH2 TIP3 864 -10.705 9.596 1.354 0.00 0.00 WAT1 ATOM 3964 H1 TIP3 864 -10.266 10.207 0.763 0.00 0.00 WAT1 ATOM 3965 H2 TIP3 864 -11.339 10.134 1.828 0.00 0.00 WAT1 ATOM 3966 OH2 TIP3 865 -4.962 9.725 5.364 0.00 0.00 WAT1 ATOM 3967 H1 TIP3 865 -4.088 10.113 5.334 0.00 0.00 WAT1 ATOM 3968 H2 TIP3 865 -5.098 9.510 6.287 0.00 0.00 WAT1 ATOM 3969 OH2 TIP3 866 -8.844 11.512 -0.203 0.00 0.00 WAT1 ATOM 3970 H1 TIP3 866 -8.353 10.882 -0.731 0.00 0.00 WAT1 ATOM 3971 H2 TIP3 866 -8.221 11.808 0.460 0.00 0.00 WAT1 ATOM 3972 OH2 TIP3 867 -3.818 11.805 2.254 0.00 0.00 WAT1 ATOM 3973 H1 TIP3 867 -3.640 11.159 2.937 0.00 0.00 WAT1 ATOM 3974 H2 TIP3 867 -3.872 12.639 2.721 0.00 0.00 WAT1 ATOM 3975 OH2 TIP3 868 11.651 -32.290 14.910 0.00 0.00 WAT1 ATOM 3976 H1 TIP3 868 11.659 -32.426 13.962 0.00 0.00 WAT1 ATOM 3977 H2 TIP3 868 10.735 -32.408 15.162 0.00 0.00 WAT1 ATOM 3978 OH2 TIP3 869 6.999 -33.317 9.084 0.00 0.00 WAT1 ATOM 3979 H1 TIP3 869 7.945 -33.461 9.065 0.00 0.00 WAT1 ATOM 3980 H2 TIP3 869 6.886 -32.533 9.621 0.00 0.00 WAT1 ATOM 3981 OH2 TIP3 870 10.243 -30.516 5.229 0.00 0.00 WAT1 ATOM 3982 H1 TIP3 870 10.395 -30.864 6.108 0.00 0.00 WAT1 ATOM 3983 H2 TIP3 870 9.392 -30.872 4.974 0.00 0.00 WAT1 ATOM 3984 OH2 TIP3 871 9.497 -34.774 13.243 0.00 0.00 WAT1 ATOM 3985 H1 TIP3 871 9.714 -35.135 14.103 0.00 0.00 WAT1 ATOM 3986 H2 TIP3 871 8.642 -35.148 13.033 0.00 0.00 WAT1 ATOM 3987 OH2 TIP3 872 8.694 -31.987 11.395 0.00 0.00 WAT1 ATOM 3988 H1 TIP3 872 8.911 -32.919 11.364 0.00 0.00 WAT1 ATOM 3989 H2 TIP3 872 8.941 -31.713 12.279 0.00 0.00 WAT1 ATOM 3990 OH2 TIP3 873 8.616 -32.713 4.418 0.00 0.00 WAT1 ATOM 3991 H1 TIP3 873 7.784 -32.240 4.445 0.00 0.00 WAT1 ATOM 3992 H2 TIP3 873 9.162 -32.203 3.819 0.00 0.00 WAT1 ATOM 3993 OH2 TIP3 874 12.502 -31.181 17.368 0.00 0.00 WAT1 ATOM 3994 H1 TIP3 874 13.270 -31.640 17.709 0.00 0.00 WAT1 ATOM 3995 H2 TIP3 874 12.481 -31.407 16.438 0.00 0.00 WAT1 ATOM 3996 OH2 TIP3 875 6.488 -29.011 4.964 0.00 0.00 WAT1 ATOM 3997 H1 TIP3 875 5.841 -29.473 4.431 0.00 0.00 WAT1 ATOM 3998 H2 TIP3 875 6.843 -29.683 5.547 0.00 0.00 WAT1 ATOM 3999 OH2 TIP3 876 7.358 -30.930 6.769 0.00 0.00 WAT1 ATOM 4000 H1 TIP3 876 7.024 -31.811 6.941 0.00 0.00 WAT1 ATOM 4001 H2 TIP3 876 7.580 -30.585 7.633 0.00 0.00 WAT1 ATOM 4002 OH2 TIP3 877 9.030 -33.102 15.864 0.00 0.00 WAT1 ATOM 4003 H1 TIP3 877 8.209 -32.927 15.404 0.00 0.00 WAT1 ATOM 4004 H2 TIP3 877 8.778 -33.175 16.785 0.00 0.00 WAT1 ATOM 4005 OH2 TIP3 878 11.984 -32.127 12.123 0.00 0.00 WAT1 ATOM 4006 H1 TIP3 878 11.559 -31.318 11.840 0.00 0.00 WAT1 ATOM 4007 H2 TIP3 878 12.889 -32.042 11.821 0.00 0.00 WAT1 ATOM 4008 OH2 TIP3 879 9.386 -28.871 12.170 0.00 0.00 WAT1 ATOM 4009 H1 TIP3 879 8.666 -28.431 11.719 0.00 0.00 WAT1 ATOM 4010 H2 TIP3 879 9.020 -29.122 13.019 0.00 0.00 WAT1 ATOM 4011 OH2 TIP3 880 11.853 -29.271 11.200 0.00 0.00 WAT1 ATOM 4012 H1 TIP3 880 10.988 -29.199 11.604 0.00 0.00 WAT1 ATOM 4013 H2 TIP3 880 11.798 -28.724 10.416 0.00 0.00 WAT1 ATOM 4014 OH2 TIP3 881 8.801 -30.248 9.081 0.00 0.00 WAT1 ATOM 4015 H1 TIP3 881 8.782 -30.673 9.938 0.00 0.00 WAT1 ATOM 4016 H2 TIP3 881 9.606 -30.566 8.672 0.00 0.00 WAT1 ATOM 4017 OH2 TIP3 882 8.052 -31.024 2.252 0.00 0.00 WAT1 ATOM 4018 H1 TIP3 882 7.367 -31.062 1.584 0.00 0.00 WAT1 ATOM 4019 H2 TIP3 882 8.055 -30.111 2.540 0.00 0.00 WAT1 ATOM 4020 OH2 TIP3 883 10.618 -34.294 27.912 0.00 0.00 WAT1 ATOM 4021 H1 TIP3 883 10.248 -35.096 27.543 0.00 0.00 WAT1 ATOM 4022 H2 TIP3 883 11.559 -34.463 27.959 0.00 0.00 WAT1 ATOM 4023 OH2 TIP3 884 13.390 -36.837 30.152 0.00 0.00 WAT1 ATOM 4024 H1 TIP3 884 12.650 -36.239 30.255 0.00 0.00 WAT1 ATOM 4025 H2 TIP3 884 14.104 -36.283 29.836 0.00 0.00 WAT1 ATOM 4026 OH2 TIP3 885 11.798 -34.873 30.939 0.00 0.00 WAT1 ATOM 4027 H1 TIP3 885 11.792 -33.994 30.561 0.00 0.00 WAT1 ATOM 4028 H2 TIP3 885 10.944 -34.956 31.364 0.00 0.00 WAT1 ATOM 4029 OH2 TIP3 886 7.919 -35.202 21.721 0.00 0.00 WAT1 ATOM 4030 H1 TIP3 886 7.647 -34.973 20.832 0.00 0.00 WAT1 ATOM 4031 H2 TIP3 886 7.964 -34.364 22.181 0.00 0.00 WAT1 ATOM 4032 OH2 TIP3 887 13.532 -34.102 27.333 0.00 0.00 WAT1 ATOM 4033 H1 TIP3 887 13.437 -34.680 26.576 0.00 0.00 WAT1 ATOM 4034 H2 TIP3 887 14.261 -34.473 27.829 0.00 0.00 WAT1 ATOM 4035 OH2 TIP3 888 13.412 -34.362 33.002 0.00 0.00 WAT1 ATOM 4036 H1 TIP3 888 13.100 -33.580 33.458 0.00 0.00 WAT1 ATOM 4037 H2 TIP3 888 12.762 -34.515 32.316 0.00 0.00 WAT1 ATOM 4038 OH2 TIP3 889 11.651 -32.290 33.766 0.00 0.00 WAT1 ATOM 4039 H1 TIP3 889 11.659 -32.426 32.818 0.00 0.00 WAT1 ATOM 4040 H2 TIP3 889 10.735 -32.408 34.018 0.00 0.00 WAT1 ATOM 4041 OH2 TIP3 890 7.248 -36.097 31.056 0.00 0.00 WAT1 ATOM 4042 H1 TIP3 890 6.747 -36.125 30.241 0.00 0.00 WAT1 ATOM 4043 H2 TIP3 890 7.254 -37.003 31.366 0.00 0.00 WAT1 ATOM 4044 OH2 TIP3 891 6.999 -33.317 27.940 0.00 0.00 WAT1 ATOM 4045 H1 TIP3 891 7.945 -33.461 27.921 0.00 0.00 WAT1 ATOM 4046 H2 TIP3 891 6.886 -32.533 28.477 0.00 0.00 WAT1 ATOM 4047 OH2 TIP3 892 16.175 -33.077 32.498 0.00 0.00 WAT1 ATOM 4048 H1 TIP3 892 16.262 -32.251 32.973 0.00 0.00 WAT1 ATOM 4049 H2 TIP3 892 15.311 -33.407 32.747 0.00 0.00 WAT1 ATOM 4050 OH2 TIP3 893 9.497 -34.774 32.099 0.00 0.00 WAT1 ATOM 4051 H1 TIP3 893 9.714 -35.135 32.959 0.00 0.00 WAT1 ATOM 4052 H2 TIP3 893 8.642 -35.148 31.889 0.00 0.00 WAT1 ATOM 4053 OH2 TIP3 894 10.401 -37.006 26.943 0.00 0.00 WAT1 ATOM 4054 H1 TIP3 894 11.146 -37.008 26.342 0.00 0.00 WAT1 ATOM 4055 H2 TIP3 894 10.479 -37.830 27.425 0.00 0.00 WAT1 ATOM 4056 OH2 TIP3 895 12.776 -33.488 24.348 0.00 0.00 WAT1 ATOM 4057 H1 TIP3 895 13.303 -32.715 24.147 0.00 0.00 WAT1 ATOM 4058 H2 TIP3 895 11.896 -33.263 24.046 0.00 0.00 WAT1 ATOM 4059 OH2 TIP3 896 14.718 -31.676 30.239 0.00 0.00 WAT1 ATOM 4060 H1 TIP3 896 15.081 -30.821 30.006 0.00 0.00 WAT1 ATOM 4061 H2 TIP3 896 15.250 -31.968 30.980 0.00 0.00 WAT1 ATOM 4062 OH2 TIP3 897 12.887 -30.803 23.469 0.00 0.00 WAT1 ATOM 4063 H1 TIP3 897 11.937 -30.698 23.521 0.00 0.00 WAT1 ATOM 4064 H2 TIP3 897 13.238 -29.983 23.814 0.00 0.00 WAT1 ATOM 4065 OH2 TIP3 898 13.569 -31.225 20.648 0.00 0.00 WAT1 ATOM 4066 H1 TIP3 898 13.730 -30.425 20.147 0.00 0.00 WAT1 ATOM 4067 H2 TIP3 898 13.372 -30.918 21.533 0.00 0.00 WAT1 ATOM 4068 OH2 TIP3 899 10.562 -34.099 19.324 0.00 0.00 WAT1 ATOM 4069 H1 TIP3 899 11.154 -33.400 19.600 0.00 0.00 WAT1 ATOM 4070 H2 TIP3 899 11.021 -34.532 18.605 0.00 0.00 WAT1 ATOM 4071 OH2 TIP3 900 8.616 -32.713 23.274 0.00 0.00 WAT1 ATOM 4072 H1 TIP3 900 7.784 -32.240 23.301 0.00 0.00 WAT1 ATOM 4073 H2 TIP3 900 9.162 -32.203 22.675 0.00 0.00 WAT1 ATOM 4074 OH2 TIP3 901 7.905 -30.100 34.604 0.00 0.00 WAT1 ATOM 4075 H1 TIP3 901 8.445 -30.317 35.363 0.00 0.00 WAT1 ATOM 4076 H2 TIP3 901 7.424 -30.906 34.414 0.00 0.00 WAT1 ATOM 4077 OH2 TIP3 902 12.502 -31.181 36.224 0.00 0.00 WAT1 ATOM 4078 H1 TIP3 902 13.270 -31.640 36.565 0.00 0.00 WAT1 ATOM 4079 H2 TIP3 902 12.481 -31.407 35.294 0.00 0.00 WAT1 ATOM 4080 OH2 TIP3 903 14.271 -29.040 19.260 0.00 0.00 WAT1 ATOM 4081 H1 TIP3 903 15.204 -28.882 19.404 0.00 0.00 WAT1 ATOM 4082 H2 TIP3 903 14.007 -28.365 18.635 0.00 0.00 WAT1 ATOM 4083 OH2 TIP3 904 7.839 -34.404 18.743 0.00 0.00 WAT1 ATOM 4084 H1 TIP3 904 8.753 -34.325 19.016 0.00 0.00 WAT1 ATOM 4085 H2 TIP3 904 7.846 -35.091 18.076 0.00 0.00 WAT1 ATOM 4086 OH2 TIP3 905 9.030 -33.102 34.720 0.00 0.00 WAT1 ATOM 4087 H1 TIP3 905 8.209 -32.927 34.260 0.00 0.00 WAT1 ATOM 4088 H2 TIP3 905 8.778 -33.175 35.641 0.00 0.00 WAT1 ATOM 4089 OH2 TIP3 906 16.295 -30.728 33.938 0.00 0.00 WAT1 ATOM 4090 H1 TIP3 906 16.480 -31.062 34.816 0.00 0.00 WAT1 ATOM 4091 H2 TIP3 906 17.142 -30.419 33.616 0.00 0.00 WAT1 ATOM 4092 OH2 TIP3 907 16.564 -29.383 29.232 0.00 0.00 WAT1 ATOM 4093 H1 TIP3 907 16.107 -28.854 28.578 0.00 0.00 WAT1 ATOM 4094 H2 TIP3 907 16.727 -28.780 29.957 0.00 0.00 WAT1 ATOM 4095 OH2 TIP3 908 9.870 -30.104 18.133 0.00 0.00 WAT1 ATOM 4096 H1 TIP3 908 9.602 -29.817 19.006 0.00 0.00 WAT1 ATOM 4097 H2 TIP3 908 10.641 -30.650 18.285 0.00 0.00 WAT1 ATOM 4098 OH2 TIP3 909 9.870 -30.104 36.989 0.00 0.00 WAT1 ATOM 4099 H1 TIP3 909 9.602 -29.817 37.862 0.00 0.00 WAT1 ATOM 4100 H2 TIP3 909 10.641 -30.650 37.141 0.00 0.00 WAT1 ATOM 4101 OH2 TIP3 910 7.409 -19.689 -5.454 0.00 0.00 WAT1 ATOM 4102 H1 TIP3 910 7.632 -20.107 -4.622 0.00 0.00 WAT1 ATOM 4103 H2 TIP3 910 6.807 -20.302 -5.876 0.00 0.00 WAT1 ATOM 4104 OH2 TIP3 911 7.812 -17.434 -2.154 0.00 0.00 WAT1 ATOM 4105 H1 TIP3 911 7.956 -18.336 -2.440 0.00 0.00 WAT1 ATOM 4106 H2 TIP3 911 7.039 -17.148 -2.642 0.00 0.00 WAT1 ATOM 4107 OH2 TIP3 912 8.644 -20.234 -2.734 0.00 0.00 WAT1 ATOM 4108 H1 TIP3 912 9.052 -21.091 -2.855 0.00 0.00 WAT1 ATOM 4109 H2 TIP3 912 8.384 -20.219 -1.813 0.00 0.00 WAT1 ATOM 4110 OH2 TIP3 913 9.590 -24.751 -2.661 0.00 0.00 WAT1 ATOM 4111 H1 TIP3 913 9.801 -25.458 -3.272 0.00 0.00 WAT1 ATOM 4112 H2 TIP3 913 9.478 -25.189 -1.817 0.00 0.00 WAT1 ATOM 4113 OH2 TIP3 914 7.036 -23.728 -3.495 0.00 0.00 WAT1 ATOM 4114 H1 TIP3 914 7.955 -23.850 -3.259 0.00 0.00 WAT1 ATOM 4115 H2 TIP3 914 6.586 -24.478 -3.106 0.00 0.00 WAT1 ATOM 4116 OH2 TIP3 915 10.618 -15.438 9.056 0.00 0.00 WAT1 ATOM 4117 H1 TIP3 915 10.248 -16.240 8.687 0.00 0.00 WAT1 ATOM 4118 H2 TIP3 915 11.559 -15.607 9.103 0.00 0.00 WAT1 ATOM 4119 OH2 TIP3 916 13.787 -20.628 6.912 0.00 0.00 WAT1 ATOM 4120 H1 TIP3 916 14.403 -21.154 7.421 0.00 0.00 WAT1 ATOM 4121 H2 TIP3 916 13.201 -21.268 6.508 0.00 0.00 WAT1 ATOM 4122 OH2 TIP3 917 10.821 -25.657 11.008 0.00 0.00 WAT1 ATOM 4123 H1 TIP3 917 10.602 -25.127 10.242 0.00 0.00 WAT1 ATOM 4124 H2 TIP3 917 10.153 -25.430 11.656 0.00 0.00 WAT1 ATOM 4125 OH2 TIP3 918 13.390 -17.981 11.296 0.00 0.00 WAT1 ATOM 4126 H1 TIP3 918 12.650 -17.383 11.399 0.00 0.00 WAT1 ATOM 4127 H2 TIP3 918 14.104 -17.427 10.980 0.00 0.00 WAT1 ATOM 4128 OH2 TIP3 919 11.798 -16.017 12.083 0.00 0.00 WAT1 ATOM 4129 H1 TIP3 919 11.792 -15.138 11.705 0.00 0.00 WAT1 ATOM 4130 H2 TIP3 919 10.944 -16.100 12.508 0.00 0.00 WAT1 ATOM 4131 OH2 TIP3 920 7.919 -16.346 2.865 0.00 0.00 WAT1 ATOM 4132 H1 TIP3 920 7.647 -16.117 1.976 0.00 0.00 WAT1 ATOM 4133 H2 TIP3 920 7.964 -15.508 3.325 0.00 0.00 WAT1 ATOM 4134 OH2 TIP3 921 14.847 -28.351 8.461 0.00 0.00 WAT1 ATOM 4135 H1 TIP3 921 14.730 -29.300 8.407 0.00 0.00 WAT1 ATOM 4136 H2 TIP3 921 13.992 -28.019 8.734 0.00 0.00 WAT1 ATOM 4137 OH2 TIP3 922 12.165 -18.674 5.796 0.00 0.00 WAT1 ATOM 4138 H1 TIP3 922 11.835 -19.044 4.977 0.00 0.00 WAT1 ATOM 4139 H2 TIP3 922 12.753 -19.344 6.142 0.00 0.00 WAT1 ATOM 4140 OH2 TIP3 923 12.532 -19.905 9.429 0.00 0.00 WAT1 ATOM 4141 H1 TIP3 923 13.097 -19.784 8.666 0.00 0.00 WAT1 ATOM 4142 H2 TIP3 923 12.851 -19.268 10.068 0.00 0.00 WAT1 ATOM 4143 OH2 TIP3 924 13.412 -15.506 14.146 0.00 0.00 WAT1 ATOM 4144 H1 TIP3 924 13.100 -14.724 14.602 0.00 0.00 WAT1 ATOM 4145 H2 TIP3 924 12.762 -15.659 13.460 0.00 0.00 WAT1 ATOM 4146 OH2 TIP3 925 11.651 -13.434 14.910 0.00 0.00 WAT1 ATOM 4147 H1 TIP3 925 11.659 -13.570 13.962 0.00 0.00 WAT1 ATOM 4148 H2 TIP3 925 10.735 -13.552 15.162 0.00 0.00 WAT1 ATOM 4149 OH2 TIP3 926 11.155 -19.604 3.385 0.00 0.00 WAT1 ATOM 4150 H1 TIP3 926 10.863 -18.836 2.894 0.00 0.00 WAT1 ATOM 4151 H2 TIP3 926 10.481 -20.264 3.222 0.00 0.00 WAT1 ATOM 4152 OH2 TIP3 927 10.243 -11.660 5.229 0.00 0.00 WAT1 ATOM 4153 H1 TIP3 927 10.395 -12.008 6.108 0.00 0.00 WAT1 ATOM 4154 H2 TIP3 927 9.392 -12.016 4.974 0.00 0.00 WAT1 ATOM 4155 OH2 TIP3 928 9.497 -15.918 13.243 0.00 0.00 WAT1 ATOM 4156 H1 TIP3 928 9.714 -16.279 14.103 0.00 0.00 WAT1 ATOM 4157 H2 TIP3 928 8.642 -16.292 13.033 0.00 0.00 WAT1 ATOM 4158 OH2 TIP3 929 12.116 -27.448 9.239 0.00 0.00 WAT1 ATOM 4159 H1 TIP3 929 11.255 -27.535 8.831 0.00 0.00 WAT1 ATOM 4160 H2 TIP3 929 12.094 -26.592 9.666 0.00 0.00 WAT1 ATOM 4161 OH2 TIP3 930 12.207 -22.482 10.334 0.00 0.00 WAT1 ATOM 4162 H1 TIP3 930 11.565 -22.523 11.043 0.00 0.00 WAT1 ATOM 4163 H2 TIP3 930 12.244 -21.556 10.096 0.00 0.00 WAT1 ATOM 4164 OH2 TIP3 931 12.204 -22.261 5.246 0.00 0.00 WAT1 ATOM 4165 H1 TIP3 931 11.311 -22.602 5.187 0.00 0.00 WAT1 ATOM 4166 H2 TIP3 931 12.655 -22.638 4.490 0.00 0.00 WAT1 ATOM 4167 OH2 TIP3 932 7.840 -24.300 1.475 0.00 0.00 WAT1 ATOM 4168 H1 TIP3 932 8.314 -23.709 0.890 0.00 0.00 WAT1 ATOM 4169 H2 TIP3 932 7.122 -23.769 1.822 0.00 0.00 WAT1 ATOM 4170 OH2 TIP3 933 14.786 -24.834 6.332 0.00 0.00 WAT1 ATOM 4171 H1 TIP3 933 13.875 -24.777 6.621 0.00 0.00 WAT1 ATOM 4172 H2 TIP3 933 15.291 -24.894 7.143 0.00 0.00 WAT1 ATOM 4173 OH2 TIP3 934 13.267 -23.205 2.815 0.00 0.00 WAT1 ATOM 4174 H1 TIP3 934 14.199 -23.076 2.993 0.00 0.00 WAT1 ATOM 4175 H2 TIP3 934 13.052 -22.535 2.166 0.00 0.00 WAT1 ATOM 4176 OH2 TIP3 935 11.941 -22.010 0.382 0.00 0.00 WAT1 ATOM 4177 H1 TIP3 935 11.399 -22.390 -0.309 0.00 0.00 WAT1 ATOM 4178 H2 TIP3 935 12.775 -21.816 -0.047 0.00 0.00 WAT1 ATOM 4179 OH2 TIP3 936 10.076 -17.453 15.481 0.00 0.00 WAT1 ATOM 4180 H1 TIP3 936 10.809 -17.199 16.042 0.00 0.00 WAT1 ATOM 4181 H2 TIP3 936 9.296 -17.249 15.996 0.00 0.00 WAT1 ATOM 4182 OH2 TIP3 937 16.106 -22.046 8.219 0.00 0.00 WAT1 ATOM 4183 H1 TIP3 937 16.670 -22.593 7.672 0.00 0.00 WAT1 ATOM 4184 H2 TIP3 937 15.958 -22.568 9.008 0.00 0.00 WAT1 ATOM 4185 OH2 TIP3 938 11.108 -25.910 4.637 0.00 0.00 WAT1 ATOM 4186 H1 TIP3 938 10.791 -26.812 4.602 0.00 0.00 WAT1 ATOM 4187 H2 TIP3 938 11.889 -25.908 4.085 0.00 0.00 WAT1 ATOM 4188 OH2 TIP3 939 14.732 -23.658 10.633 0.00 0.00 WAT1 ATOM 4189 H1 TIP3 939 13.897 -23.204 10.743 0.00 0.00 WAT1 ATOM 4190 H2 TIP3 939 15.256 -23.382 11.385 0.00 0.00 WAT1 ATOM 4191 OH2 TIP3 940 10.401 -18.150 8.087 0.00 0.00 WAT1 ATOM 4192 H1 TIP3 940 11.146 -18.152 7.486 0.00 0.00 WAT1 ATOM 4193 H2 TIP3 940 10.479 -18.974 8.569 0.00 0.00 WAT1 ATOM 4194 OH2 TIP3 941 8.531 -19.770 0.079 0.00 0.00 WAT1 ATOM 4195 H1 TIP3 941 9.147 -19.143 0.458 0.00 0.00 WAT1 ATOM 4196 H2 TIP3 941 7.669 -19.454 0.350 0.00 0.00 WAT1 ATOM 4197 OH2 TIP3 942 9.043 -24.936 12.960 0.00 0.00 WAT1 ATOM 4198 H1 TIP3 942 8.150 -24.597 12.893 0.00 0.00 WAT1 ATOM 4199 H2 TIP3 942 8.944 -25.791 13.378 0.00 0.00 WAT1 ATOM 4200 OH2 TIP3 943 8.694 -13.131 11.395 0.00 0.00 WAT1 ATOM 4201 H1 TIP3 943 8.911 -14.063 11.364 0.00 0.00 WAT1 ATOM 4202 H2 TIP3 943 8.941 -12.857 12.279 0.00 0.00 WAT1 ATOM 4203 OH2 TIP3 944 9.946 -17.857 1.571 0.00 0.00 WAT1 ATOM 4204 H1 TIP3 944 9.260 -17.505 2.138 0.00 0.00 WAT1 ATOM 4205 H2 TIP3 944 10.469 -17.094 1.325 0.00 0.00 WAT1 ATOM 4206 OH2 TIP3 945 12.303 -25.671 1.408 0.00 0.00 WAT1 ATOM 4207 H1 TIP3 945 12.220 -24.782 1.754 0.00 0.00 WAT1 ATOM 4208 H2 TIP3 945 13.193 -25.936 1.639 0.00 0.00 WAT1 ATOM 4209 OH2 TIP3 946 8.878 -22.579 -0.416 0.00 0.00 WAT1 ATOM 4210 H1 TIP3 946 8.833 -21.640 -0.237 0.00 0.00 WAT1 ATOM 4211 H2 TIP3 946 7.990 -22.815 -0.686 0.00 0.00 WAT1 ATOM 4212 OH2 TIP3 947 9.686 -27.797 8.257 0.00 0.00 WAT1 ATOM 4213 H1 TIP3 947 9.457 -27.738 7.330 0.00 0.00 WAT1 ATOM 4214 H2 TIP3 947 9.243 -28.589 8.564 0.00 0.00 WAT1 ATOM 4215 OH2 TIP3 948 8.616 -13.857 4.418 0.00 0.00 WAT1 ATOM 4216 H1 TIP3 948 7.784 -13.384 4.445 0.00 0.00 WAT1 ATOM 4217 H2 TIP3 948 9.162 -13.347 3.819 0.00 0.00 WAT1 ATOM 4218 OH2 TIP3 949 12.502 -12.325 17.368 0.00 0.00 WAT1 ATOM 4219 H1 TIP3 949 13.270 -12.784 17.709 0.00 0.00 WAT1 ATOM 4220 H2 TIP3 949 12.481 -12.551 16.438 0.00 0.00 WAT1 ATOM 4221 OH2 TIP3 950 12.591 -21.225 13.496 0.00 0.00 WAT1 ATOM 4222 H1 TIP3 950 11.973 -20.550 13.777 0.00 0.00 WAT1 ATOM 4223 H2 TIP3 950 12.935 -20.904 12.663 0.00 0.00 WAT1 ATOM 4224 OH2 TIP3 951 12.931 -23.870 14.579 0.00 0.00 WAT1 ATOM 4225 H1 TIP3 951 13.081 -24.599 13.976 0.00 0.00 WAT1 ATOM 4226 H2 TIP3 951 12.933 -23.093 14.020 0.00 0.00 WAT1 ATOM 4227 OH2 TIP3 952 13.343 -25.500 12.071 0.00 0.00 WAT1 ATOM 4228 H1 TIP3 952 13.879 -25.049 11.419 0.00 0.00 WAT1 ATOM 4229 H2 TIP3 952 12.491 -25.608 11.649 0.00 0.00 WAT1 ATOM 4230 OH2 TIP3 953 14.925 -20.061 12.311 0.00 0.00 WAT1 ATOM 4231 H1 TIP3 953 15.676 -20.217 11.738 0.00 0.00 WAT1 ATOM 4232 H2 TIP3 953 14.586 -19.209 12.035 0.00 0.00 WAT1 ATOM 4233 OH2 TIP3 954 11.409 -22.672 16.490 0.00 0.00 WAT1 ATOM 4234 H1 TIP3 954 10.642 -23.204 16.280 0.00 0.00 WAT1 ATOM 4235 H2 TIP3 954 12.088 -22.982 15.891 0.00 0.00 WAT1 ATOM 4236 OH2 TIP3 955 14.149 -28.044 12.503 0.00 0.00 WAT1 ATOM 4237 H1 TIP3 955 14.051 -27.097 12.397 0.00 0.00 WAT1 ATOM 4238 H2 TIP3 955 13.406 -28.416 12.027 0.00 0.00 WAT1 ATOM 4239 OH2 TIP3 956 9.590 -24.751 16.195 0.00 0.00 WAT1 ATOM 4240 H1 TIP3 956 9.801 -25.458 15.584 0.00 0.00 WAT1 ATOM 4241 H2 TIP3 956 9.478 -25.189 17.039 0.00 0.00 WAT1 ATOM 4242 OH2 TIP3 957 14.371 -28.750 15.174 0.00 0.00 WAT1 ATOM 4243 H1 TIP3 957 15.083 -29.390 15.160 0.00 0.00 WAT1 ATOM 4244 H2 TIP3 957 14.270 -28.483 14.260 0.00 0.00 WAT1 ATOM 4245 OH2 TIP3 958 7.839 -15.548 -0.113 0.00 0.00 WAT1 ATOM 4246 H1 TIP3 958 8.753 -15.469 0.160 0.00 0.00 WAT1 ATOM 4247 H2 TIP3 958 7.846 -16.235 -0.780 0.00 0.00 WAT1 ATOM 4248 OH2 TIP3 959 6.488 -10.155 4.964 0.00 0.00 WAT1 ATOM 4249 H1 TIP3 959 5.841 -10.617 4.431 0.00 0.00 WAT1 ATOM 4250 H2 TIP3 959 6.843 -10.827 5.547 0.00 0.00 WAT1 ATOM 4251 OH2 TIP3 960 7.358 -12.074 6.769 0.00 0.00 WAT1 ATOM 4252 H1 TIP3 960 7.024 -12.955 6.941 0.00 0.00 WAT1 ATOM 4253 H2 TIP3 960 7.580 -11.729 7.633 0.00 0.00 WAT1 ATOM 4254 OH2 TIP3 961 6.874 -26.159 3.376 0.00 0.00 WAT1 ATOM 4255 H1 TIP3 961 5.949 -25.950 3.246 0.00 0.00 WAT1 ATOM 4256 H2 TIP3 961 7.328 -25.675 2.686 0.00 0.00 WAT1 ATOM 4257 OH2 TIP3 962 11.984 -13.271 12.123 0.00 0.00 WAT1 ATOM 4258 H1 TIP3 962 11.559 -12.462 11.840 0.00 0.00 WAT1 ATOM 4259 H2 TIP3 962 12.889 -13.186 11.821 0.00 0.00 WAT1 ATOM 4260 OH2 TIP3 963 9.386 -10.015 12.170 0.00 0.00 WAT1 ATOM 4261 H1 TIP3 963 8.666 -9.575 11.719 0.00 0.00 WAT1 ATOM 4262 H2 TIP3 963 9.020 -10.266 13.019 0.00 0.00 WAT1 ATOM 4263 OH2 TIP3 964 11.853 -10.415 11.200 0.00 0.00 WAT1 ATOM 4264 H1 TIP3 964 10.988 -10.343 11.604 0.00 0.00 WAT1 ATOM 4265 H2 TIP3 964 11.798 -9.868 10.416 0.00 0.00 WAT1 ATOM 4266 OH2 TIP3 965 8.801 -11.392 9.081 0.00 0.00 WAT1 ATOM 4267 H1 TIP3 965 8.782 -11.817 9.938 0.00 0.00 WAT1 ATOM 4268 H2 TIP3 965 9.606 -11.710 8.672 0.00 0.00 WAT1 ATOM 4269 OH2 TIP3 966 10.942 -12.682 7.736 0.00 0.00 WAT1 ATOM 4270 H1 TIP3 966 10.723 -13.598 7.905 0.00 0.00 WAT1 ATOM 4271 H2 TIP3 966 11.766 -12.542 8.202 0.00 0.00 WAT1 ATOM 4272 OH2 TIP3 967 9.314 -27.914 5.551 0.00 0.00 WAT1 ATOM 4273 H1 TIP3 967 8.537 -28.148 5.043 0.00 0.00 WAT1 ATOM 4274 H2 TIP3 967 9.845 -28.711 5.559 0.00 0.00 WAT1 ATOM 4275 OH2 TIP3 968 8.151 -28.116 1.354 0.00 0.00 WAT1 ATOM 4276 H1 TIP3 968 8.590 -27.505 0.763 0.00 0.00 WAT1 ATOM 4277 H2 TIP3 968 7.517 -27.578 1.828 0.00 0.00 WAT1 ATOM 4278 OH2 TIP3 969 13.894 -27.987 5.364 0.00 0.00 WAT1 ATOM 4279 H1 TIP3 969 14.768 -27.599 5.334 0.00 0.00 WAT1 ATOM 4280 H2 TIP3 969 13.758 -28.202 6.287 0.00 0.00 WAT1 ATOM 4281 OH2 TIP3 970 10.012 -26.200 -0.203 0.00 0.00 WAT1 ATOM 4282 H1 TIP3 970 10.503 -26.830 -0.731 0.00 0.00 WAT1 ATOM 4283 H2 TIP3 970 10.635 -25.904 0.460 0.00 0.00 WAT1 ATOM 4284 OH2 TIP3 971 11.245 -28.049 16.604 0.00 0.00 WAT1 ATOM 4285 H1 TIP3 971 12.144 -28.323 16.419 0.00 0.00 WAT1 ATOM 4286 H2 TIP3 971 10.859 -28.792 17.068 0.00 0.00 WAT1 ATOM 4287 OH2 TIP3 972 9.694 -19.888 29.377 0.00 0.00 WAT1 ATOM 4288 H1 TIP3 972 9.736 -20.514 30.101 0.00 0.00 WAT1 ATOM 4289 H2 TIP3 972 10.397 -19.265 29.559 0.00 0.00 WAT1 ATOM 4290 OH2 TIP3 973 7.938 -19.616 25.431 0.00 0.00 WAT1 ATOM 4291 H1 TIP3 973 8.152 -20.386 25.958 0.00 0.00 WAT1 ATOM 4292 H2 TIP3 973 8.676 -19.527 24.828 0.00 0.00 WAT1 ATOM 4293 OH2 TIP3 974 12.011 -24.575 25.790 0.00 0.00 WAT1 ATOM 4294 H1 TIP3 974 12.054 -23.715 25.372 0.00 0.00 WAT1 ATOM 4295 H2 TIP3 974 11.553 -25.127 25.157 0.00 0.00 WAT1 ATOM 4296 OH2 TIP3 975 8.631 -22.178 26.552 0.00 0.00 WAT1 ATOM 4297 H1 TIP3 975 9.285 -22.728 26.984 0.00 0.00 WAT1 ATOM 4298 H2 TIP3 975 8.655 -22.452 25.636 0.00 0.00 WAT1 ATOM 4299 OH2 TIP3 976 7.919 -16.346 21.721 0.00 0.00 WAT1 ATOM 4300 H1 TIP3 976 7.647 -16.117 20.832 0.00 0.00 WAT1 ATOM 4301 H2 TIP3 976 7.964 -15.508 22.181 0.00 0.00 WAT1 ATOM 4302 OH2 TIP3 977 14.847 -28.351 27.317 0.00 0.00 WAT1 ATOM 4303 H1 TIP3 977 14.730 -29.300 27.263 0.00 0.00 WAT1 ATOM 4304 H2 TIP3 977 13.992 -28.019 27.590 0.00 0.00 WAT1 ATOM 4305 OH2 TIP3 978 12.532 -19.905 28.285 0.00 0.00 WAT1 ATOM 4306 H1 TIP3 978 13.097 -19.784 27.522 0.00 0.00 WAT1 ATOM 4307 H2 TIP3 978 12.851 -19.268 28.924 0.00 0.00 WAT1 ATOM 4308 OH2 TIP3 979 10.332 -19.308 32.231 0.00 0.00 WAT1 ATOM 4309 H1 TIP3 979 10.402 -18.657 32.929 0.00 0.00 WAT1 ATOM 4310 H2 TIP3 979 9.441 -19.205 31.896 0.00 0.00 WAT1 ATOM 4311 OH2 TIP3 980 11.155 -19.604 22.241 0.00 0.00 WAT1 ATOM 4312 H1 TIP3 980 10.863 -18.836 21.750 0.00 0.00 WAT1 ATOM 4313 H2 TIP3 980 10.481 -20.264 22.078 0.00 0.00 WAT1 ATOM 4314 OH2 TIP3 981 7.248 -17.241 31.056 0.00 0.00 WAT1 ATOM 4315 H1 TIP3 981 6.747 -17.269 30.241 0.00 0.00 WAT1 ATOM 4316 H2 TIP3 981 7.254 -18.147 31.366 0.00 0.00 WAT1 ATOM 4317 OH2 TIP3 982 6.999 -14.461 27.940 0.00 0.00 WAT1 ATOM 4318 H1 TIP3 982 7.945 -14.605 27.921 0.00 0.00 WAT1 ATOM 4319 H2 TIP3 982 6.886 -13.677 28.477 0.00 0.00 WAT1 ATOM 4320 OH2 TIP3 983 10.243 -11.660 24.085 0.00 0.00 WAT1 ATOM 4321 H1 TIP3 983 10.395 -12.008 24.964 0.00 0.00 WAT1 ATOM 4322 H2 TIP3 983 9.392 -12.016 23.830 0.00 0.00 WAT1 ATOM 4323 OH2 TIP3 984 9.497 -15.918 32.099 0.00 0.00 WAT1 ATOM 4324 H1 TIP3 984 9.714 -16.279 32.959 0.00 0.00 WAT1 ATOM 4325 H2 TIP3 984 8.642 -16.292 31.889 0.00 0.00 WAT1 ATOM 4326 OH2 TIP3 985 16.779 -27.726 31.469 0.00 0.00 WAT1 ATOM 4327 H1 TIP3 985 17.199 -28.141 32.222 0.00 0.00 WAT1 ATOM 4328 H2 TIP3 985 15.846 -27.904 31.586 0.00 0.00 WAT1 ATOM 4329 OH2 TIP3 986 12.207 -22.482 29.190 0.00 0.00 WAT1 ATOM 4330 H1 TIP3 986 11.565 -22.523 29.899 0.00 0.00 WAT1 ATOM 4331 H2 TIP3 986 12.244 -21.556 28.952 0.00 0.00 WAT1 ATOM 4332 OH2 TIP3 987 12.204 -22.261 24.102 0.00 0.00 WAT1 ATOM 4333 H1 TIP3 987 11.311 -22.602 24.043 0.00 0.00 WAT1 ATOM 4334 H2 TIP3 987 12.655 -22.638 23.346 0.00 0.00 WAT1 ATOM 4335 OH2 TIP3 988 9.957 -22.162 31.057 0.00 0.00 WAT1 ATOM 4336 H1 TIP3 988 9.919 -21.762 31.925 0.00 0.00 WAT1 ATOM 4337 H2 TIP3 988 9.466 -22.979 31.147 0.00 0.00 WAT1 ATOM 4338 OH2 TIP3 989 13.323 -24.788 17.855 0.00 0.00 WAT1 ATOM 4339 H1 TIP3 989 12.892 -25.233 18.585 0.00 0.00 WAT1 ATOM 4340 H2 TIP3 989 12.605 -24.416 17.343 0.00 0.00 WAT1 ATOM 4341 OH2 TIP3 990 14.786 -24.834 25.188 0.00 0.00 WAT1 ATOM 4342 H1 TIP3 990 13.875 -24.777 25.477 0.00 0.00 WAT1 ATOM 4343 H2 TIP3 990 15.291 -24.894 25.999 0.00 0.00 WAT1 ATOM 4344 OH2 TIP3 991 13.267 -23.205 21.671 0.00 0.00 WAT1 ATOM 4345 H1 TIP3 991 14.199 -23.076 21.849 0.00 0.00 WAT1 ATOM 4346 H2 TIP3 991 13.052 -22.535 21.022 0.00 0.00 WAT1 ATOM 4347 OH2 TIP3 992 11.941 -22.010 19.238 0.00 0.00 WAT1 ATOM 4348 H1 TIP3 992 11.399 -22.390 18.547 0.00 0.00 WAT1 ATOM 4349 H2 TIP3 992 12.775 -21.816 18.809 0.00 0.00 WAT1 ATOM 4350 OH2 TIP3 993 10.076 -17.453 34.337 0.00 0.00 WAT1 ATOM 4351 H1 TIP3 993 10.809 -17.199 34.898 0.00 0.00 WAT1 ATOM 4352 H2 TIP3 993 9.296 -17.249 34.852 0.00 0.00 WAT1 ATOM 4353 OH2 TIP3 994 14.732 -23.658 29.489 0.00 0.00 WAT1 ATOM 4354 H1 TIP3 994 13.897 -23.204 29.599 0.00 0.00 WAT1 ATOM 4355 H2 TIP3 994 15.256 -23.382 30.241 0.00 0.00 WAT1 ATOM 4356 OH2 TIP3 995 10.401 -18.150 26.943 0.00 0.00 WAT1 ATOM 4357 H1 TIP3 995 11.146 -18.152 26.342 0.00 0.00 WAT1 ATOM 4358 H2 TIP3 995 10.479 -18.974 27.425 0.00 0.00 WAT1 ATOM 4359 OH2 TIP3 996 7.409 -19.689 32.258 0.00 0.00 WAT1 ATOM 4360 H1 TIP3 996 7.632 -20.107 33.090 0.00 0.00 WAT1 ATOM 4361 H2 TIP3 996 6.807 -20.302 31.836 0.00 0.00 WAT1 ATOM 4362 OH2 TIP3 997 8.531 -19.770 18.935 0.00 0.00 WAT1 ATOM 4363 H1 TIP3 997 9.147 -19.143 19.314 0.00 0.00 WAT1 ATOM 4364 H2 TIP3 997 7.669 -19.454 19.206 0.00 0.00 WAT1 ATOM 4365 OH2 TIP3 998 8.694 -13.131 30.251 0.00 0.00 WAT1 ATOM 4366 H1 TIP3 998 8.911 -14.063 30.220 0.00 0.00 WAT1 ATOM 4367 H2 TIP3 998 8.941 -12.857 31.135 0.00 0.00 WAT1 ATOM 4368 OH2 TIP3 999 14.556 -14.680 17.461 0.00 0.00 WAT1 ATOM 4369 H1 TIP3 999 14.795 -15.428 16.913 0.00 0.00 WAT1 ATOM 4370 H2 TIP3 999 14.287 -15.068 18.293 0.00 0.00 WAT1 ATOM 4371 OH2 TIP3 1000 13.493 -15.110 19.917 0.00 0.00 WAT1 ATOM 4372 H1 TIP3 1000 13.640 -15.630 20.707 0.00 0.00 WAT1 ATOM 4373 H2 TIP3 1000 13.490 -14.203 20.223 0.00 0.00 WAT1 ATOM 4374 OH2 TIP3 1001 9.946 -17.857 20.427 0.00 0.00 WAT1 ATOM 4375 H1 TIP3 1001 9.260 -17.505 20.994 0.00 0.00 WAT1 ATOM 4376 H2 TIP3 1001 10.469 -17.094 20.181 0.00 0.00 WAT1 ATOM 4377 OH2 TIP3 1002 13.569 -12.369 20.648 0.00 0.00 WAT1 ATOM 4378 H1 TIP3 1002 13.730 -11.569 20.147 0.00 0.00 WAT1 ATOM 4379 H2 TIP3 1002 13.372 -12.062 21.533 0.00 0.00 WAT1 ATOM 4380 OH2 TIP3 1003 12.303 -25.671 20.264 0.00 0.00 WAT1 ATOM 4381 H1 TIP3 1003 12.220 -24.782 20.610 0.00 0.00 WAT1 ATOM 4382 H2 TIP3 1003 13.193 -25.936 20.495 0.00 0.00 WAT1 ATOM 4383 OH2 TIP3 1004 10.562 -15.243 19.324 0.00 0.00 WAT1 ATOM 4384 H1 TIP3 1004 11.154 -14.544 19.600 0.00 0.00 WAT1 ATOM 4385 H2 TIP3 1004 11.021 -15.676 18.605 0.00 0.00 WAT1 ATOM 4386 OH2 TIP3 1005 8.878 -22.579 18.440 0.00 0.00 WAT1 ATOM 4387 H1 TIP3 1005 8.833 -21.640 18.619 0.00 0.00 WAT1 ATOM 4388 H2 TIP3 1005 7.990 -22.815 18.170 0.00 0.00 WAT1 ATOM 4389 OH2 TIP3 1006 8.616 -13.857 23.274 0.00 0.00 WAT1 ATOM 4390 H1 TIP3 1006 7.784 -13.384 23.301 0.00 0.00 WAT1 ATOM 4391 H2 TIP3 1006 9.162 -13.347 22.675 0.00 0.00 WAT1 ATOM 4392 OH2 TIP3 1007 7.812 -17.434 35.558 0.00 0.00 WAT1 ATOM 4393 H1 TIP3 1007 7.956 -18.336 35.272 0.00 0.00 WAT1 ATOM 4394 H2 TIP3 1007 7.039 -17.148 35.070 0.00 0.00 WAT1 ATOM 4395 OH2 TIP3 1008 12.153 -17.090 17.690 0.00 0.00 WAT1 ATOM 4396 H1 TIP3 1008 12.217 -17.884 18.221 0.00 0.00 WAT1 ATOM 4397 H2 TIP3 1008 12.806 -17.209 17.001 0.00 0.00 WAT1 ATOM 4398 OH2 TIP3 1009 8.644 -20.234 34.978 0.00 0.00 WAT1 ATOM 4399 H1 TIP3 1009 9.052 -21.091 34.857 0.00 0.00 WAT1 ATOM 4400 H2 TIP3 1009 8.384 -20.219 35.899 0.00 0.00 WAT1 ATOM 4401 OH2 TIP3 1010 12.591 -21.225 32.352 0.00 0.00 WAT1 ATOM 4402 H1 TIP3 1010 11.973 -20.550 32.633 0.00 0.00 WAT1 ATOM 4403 H2 TIP3 1010 12.935 -20.904 31.519 0.00 0.00 WAT1 ATOM 4404 OH2 TIP3 1011 12.931 -23.870 33.435 0.00 0.00 WAT1 ATOM 4405 H1 TIP3 1011 13.081 -24.599 32.832 0.00 0.00 WAT1 ATOM 4406 H2 TIP3 1011 12.933 -23.093 32.876 0.00 0.00 WAT1 ATOM 4407 OH2 TIP3 1012 13.343 -25.500 30.927 0.00 0.00 WAT1 ATOM 4408 H1 TIP3 1012 13.879 -25.049 30.275 0.00 0.00 WAT1 ATOM 4409 H2 TIP3 1012 12.491 -25.608 30.505 0.00 0.00 WAT1 ATOM 4410 OH2 TIP3 1013 11.409 -22.672 35.346 0.00 0.00 WAT1 ATOM 4411 H1 TIP3 1013 10.642 -23.204 35.136 0.00 0.00 WAT1 ATOM 4412 H2 TIP3 1013 12.088 -22.982 34.747 0.00 0.00 WAT1 ATOM 4413 OH2 TIP3 1014 14.149 -28.044 31.359 0.00 0.00 WAT1 ATOM 4414 H1 TIP3 1014 14.051 -27.097 31.253 0.00 0.00 WAT1 ATOM 4415 H2 TIP3 1014 13.406 -28.416 30.883 0.00 0.00 WAT1 ATOM 4416 OH2 TIP3 1015 15.413 -23.722 34.922 0.00 0.00 WAT1 ATOM 4417 H1 TIP3 1015 15.177 -23.942 35.824 0.00 0.00 WAT1 ATOM 4418 H2 TIP3 1015 14.630 -23.929 34.413 0.00 0.00 WAT1 ATOM 4419 OH2 TIP3 1016 9.590 -24.751 35.051 0.00 0.00 WAT1 ATOM 4420 H1 TIP3 1016 9.801 -25.458 34.440 0.00 0.00 WAT1 ATOM 4421 H2 TIP3 1016 9.478 -25.189 35.895 0.00 0.00 WAT1 ATOM 4422 OH2 TIP3 1017 14.371 -28.750 34.030 0.00 0.00 WAT1 ATOM 4423 H1 TIP3 1017 15.083 -29.390 34.016 0.00 0.00 WAT1 ATOM 4424 H2 TIP3 1017 14.270 -28.483 33.116 0.00 0.00 WAT1 ATOM 4425 OH2 TIP3 1018 14.724 -27.067 36.084 0.00 0.00 WAT1 ATOM 4426 H1 TIP3 1018 14.593 -27.543 35.263 0.00 0.00 WAT1 ATOM 4427 H2 TIP3 1018 14.125 -26.323 36.028 0.00 0.00 WAT1 ATOM 4428 OH2 TIP3 1019 14.271 -10.184 19.260 0.00 0.00 WAT1 ATOM 4429 H1 TIP3 1019 15.204 -10.026 19.404 0.00 0.00 WAT1 ATOM 4430 H2 TIP3 1019 14.007 -9.509 18.635 0.00 0.00 WAT1 ATOM 4431 OH2 TIP3 1020 6.488 -10.155 23.820 0.00 0.00 WAT1 ATOM 4432 H1 TIP3 1020 5.841 -10.617 23.287 0.00 0.00 WAT1 ATOM 4433 H2 TIP3 1020 6.843 -10.827 24.403 0.00 0.00 WAT1 ATOM 4434 OH2 TIP3 1021 7.358 -12.074 25.625 0.00 0.00 WAT1 ATOM 4435 H1 TIP3 1021 7.024 -12.955 25.797 0.00 0.00 WAT1 ATOM 4436 H2 TIP3 1021 7.580 -11.729 26.489 0.00 0.00 WAT1 ATOM 4437 OH2 TIP3 1022 7.036 -23.728 34.217 0.00 0.00 WAT1 ATOM 4438 H1 TIP3 1022 7.955 -23.850 34.453 0.00 0.00 WAT1 ATOM 4439 H2 TIP3 1022 6.586 -24.478 34.606 0.00 0.00 WAT1 ATOM 4440 OH2 TIP3 1023 8.801 -11.392 27.937 0.00 0.00 WAT1 ATOM 4441 H1 TIP3 1023 8.782 -11.817 28.794 0.00 0.00 WAT1 ATOM 4442 H2 TIP3 1023 9.606 -11.710 27.528 0.00 0.00 WAT1 ATOM 4443 OH2 TIP3 1024 16.988 -26.548 26.585 0.00 0.00 WAT1 ATOM 4444 H1 TIP3 1024 16.313 -27.177 26.840 0.00 0.00 WAT1 ATOM 4445 H2 TIP3 1024 17.552 -27.032 25.982 0.00 0.00 WAT1 ATOM 4446 OH2 TIP3 1025 13.894 -27.987 24.220 0.00 0.00 WAT1 ATOM 4447 H1 TIP3 1025 14.768 -27.599 24.190 0.00 0.00 WAT1 ATOM 4448 H2 TIP3 1025 13.758 -28.202 25.143 0.00 0.00 WAT1 ATOM 4449 OH2 TIP3 1026 15.038 -25.907 21.110 0.00 0.00 WAT1 ATOM 4450 H1 TIP3 1026 15.216 -26.553 21.793 0.00 0.00 WAT1 ATOM 4451 H2 TIP3 1026 14.984 -25.073 21.577 0.00 0.00 WAT1 ATOM 4452 OH2 TIP3 1027 11.245 -28.049 35.460 0.00 0.00 WAT1 ATOM 4453 H1 TIP3 1027 12.144 -28.323 35.275 0.00 0.00 WAT1 ATOM 4454 H2 TIP3 1027 10.859 -28.792 35.924 0.00 0.00 WAT1 ATOM 4455 OH2 TIP3 1028 13.323 -24.788 36.711 0.00 0.00 WAT1 ATOM 4456 H1 TIP3 1028 12.892 -25.233 37.441 0.00 0.00 WAT1 ATOM 4457 H2 TIP3 1028 12.605 -24.416 36.199 0.00 0.00 WAT1 ATOM 4458 OH2 TIP3 1029 10.012 -26.200 37.509 0.00 0.00 WAT1 ATOM 4459 H1 TIP3 1029 10.503 -26.830 36.981 0.00 0.00 WAT1 ATOM 4460 H2 TIP3 1029 10.635 -25.904 38.172 0.00 0.00 WAT1 ATOM 4461 OH2 TIP3 1030 7.409 -0.833 -5.454 0.00 0.00 WAT1 ATOM 4462 H1 TIP3 1030 7.632 -1.251 -4.622 0.00 0.00 WAT1 ATOM 4463 H2 TIP3 1030 6.807 -1.446 -5.876 0.00 0.00 WAT1 ATOM 4464 OH2 TIP3 1031 10.821 -6.801 11.008 0.00 0.00 WAT1 ATOM 4465 H1 TIP3 1031 10.602 -6.271 10.242 0.00 0.00 WAT1 ATOM 4466 H2 TIP3 1031 10.153 -6.574 11.656 0.00 0.00 WAT1 ATOM 4467 OH2 TIP3 1032 6.565 -6.190 6.051 0.00 0.00 WAT1 ATOM 4468 H1 TIP3 1032 7.196 -6.219 6.771 0.00 0.00 WAT1 ATOM 4469 H2 TIP3 1032 7.015 -6.615 5.321 0.00 0.00 WAT1 ATOM 4470 OH2 TIP3 1033 9.043 -6.080 12.960 0.00 0.00 WAT1 ATOM 4471 H1 TIP3 1033 8.150 -5.741 12.893 0.00 0.00 WAT1 ATOM 4472 H2 TIP3 1033 8.944 -6.935 13.378 0.00 0.00 WAT1 ATOM 4473 OH2 TIP3 1034 9.686 -8.941 8.257 0.00 0.00 WAT1 ATOM 4474 H1 TIP3 1034 9.457 -8.882 7.330 0.00 0.00 WAT1 ATOM 4475 H2 TIP3 1034 9.243 -9.733 8.564 0.00 0.00 WAT1 ATOM 4476 OH2 TIP3 1035 12.931 -5.014 14.579 0.00 0.00 WAT1 ATOM 4477 H1 TIP3 1035 13.081 -5.743 13.976 0.00 0.00 WAT1 ATOM 4478 H2 TIP3 1035 12.933 -4.237 14.020 0.00 0.00 WAT1 ATOM 4479 OH2 TIP3 1036 13.343 -6.644 12.071 0.00 0.00 WAT1 ATOM 4480 H1 TIP3 1036 13.879 -6.193 11.419 0.00 0.00 WAT1 ATOM 4481 H2 TIP3 1036 12.491 -6.752 11.649 0.00 0.00 WAT1 ATOM 4482 OH2 TIP3 1037 11.409 -3.816 16.490 0.00 0.00 WAT1 ATOM 4483 H1 TIP3 1037 10.642 -4.348 16.280 0.00 0.00 WAT1 ATOM 4484 H2 TIP3 1037 12.088 -4.126 15.891 0.00 0.00 WAT1 ATOM 4485 OH2 TIP3 1038 14.149 -9.188 12.503 0.00 0.00 WAT1 ATOM 4486 H1 TIP3 1038 14.051 -8.241 12.397 0.00 0.00 WAT1 ATOM 4487 H2 TIP3 1038 13.406 -9.560 12.027 0.00 0.00 WAT1 ATOM 4488 OH2 TIP3 1039 9.590 -5.895 16.195 0.00 0.00 WAT1 ATOM 4489 H1 TIP3 1039 9.801 -6.602 15.584 0.00 0.00 WAT1 ATOM 4490 H2 TIP3 1039 9.478 -6.333 17.039 0.00 0.00 WAT1 ATOM 4491 OH2 TIP3 1040 14.371 -9.894 15.174 0.00 0.00 WAT1 ATOM 4492 H1 TIP3 1040 15.083 -10.534 15.160 0.00 0.00 WAT1 ATOM 4493 H2 TIP3 1040 14.270 -9.627 14.260 0.00 0.00 WAT1 ATOM 4494 OH2 TIP3 1041 14.724 -8.211 17.228 0.00 0.00 WAT1 ATOM 4495 H1 TIP3 1041 14.593 -8.687 16.407 0.00 0.00 WAT1 ATOM 4496 H2 TIP3 1041 14.125 -7.467 17.172 0.00 0.00 WAT1 ATOM 4497 OH2 TIP3 1042 7.036 -4.872 15.361 0.00 0.00 WAT1 ATOM 4498 H1 TIP3 1042 7.955 -4.994 15.597 0.00 0.00 WAT1 ATOM 4499 H2 TIP3 1042 6.586 -5.622 15.750 0.00 0.00 WAT1 ATOM 4500 OH2 TIP3 1043 6.838 -8.565 11.720 0.00 0.00 WAT1 ATOM 4501 H1 TIP3 1043 6.173 -8.811 12.363 0.00 0.00 WAT1 ATOM 4502 H2 TIP3 1043 6.395 -7.943 11.143 0.00 0.00 WAT1 ATOM 4503 OH2 TIP3 1044 13.323 -5.932 17.855 0.00 0.00 WAT1 ATOM 4504 H1 TIP3 1044 12.892 -6.377 18.585 0.00 0.00 WAT1 ATOM 4505 H2 TIP3 1044 12.605 -5.560 17.343 0.00 0.00 WAT1 ATOM 4506 OH2 TIP3 1045 6.565 -6.190 24.907 0.00 0.00 WAT1 ATOM 4507 H1 TIP3 1045 7.196 -6.219 25.627 0.00 0.00 WAT1 ATOM 4508 H2 TIP3 1045 7.015 -6.615 24.177 0.00 0.00 WAT1 ATOM 4509 OH2 TIP3 1046 7.840 -5.444 20.331 0.00 0.00 WAT1 ATOM 4510 H1 TIP3 1046 8.314 -4.853 19.746 0.00 0.00 WAT1 ATOM 4511 H2 TIP3 1046 7.122 -4.913 20.678 0.00 0.00 WAT1 ATOM 4512 OH2 TIP3 1047 12.303 -6.815 20.264 0.00 0.00 WAT1 ATOM 4513 H1 TIP3 1047 12.220 -5.926 20.610 0.00 0.00 WAT1 ATOM 4514 H2 TIP3 1047 13.193 -7.080 20.495 0.00 0.00 WAT1 ATOM 4515 OH2 TIP3 1048 8.878 -3.723 18.440 0.00 0.00 WAT1 ATOM 4516 H1 TIP3 1048 8.833 -2.784 18.619 0.00 0.00 WAT1 ATOM 4517 H2 TIP3 1048 7.990 -3.959 18.170 0.00 0.00 WAT1 ATOM 4518 OH2 TIP3 1049 6.874 -7.303 22.232 0.00 0.00 WAT1 ATOM 4519 H1 TIP3 1049 5.949 -7.094 22.102 0.00 0.00 WAT1 ATOM 4520 H2 TIP3 1049 7.328 -6.819 21.542 0.00 0.00 WAT1 ATOM 4521 OH2 TIP3 1050 9.314 -9.058 24.407 0.00 0.00 WAT1 ATOM 4522 H1 TIP3 1050 8.537 -9.292 23.899 0.00 0.00 WAT1 ATOM 4523 H2 TIP3 1050 9.845 -9.855 24.415 0.00 0.00 WAT1 ATOM 4524 OH2 TIP3 1051 8.151 -9.260 20.210 0.00 0.00 WAT1 ATOM 4525 H1 TIP3 1051 8.590 -8.649 19.619 0.00 0.00 WAT1 ATOM 4526 H2 TIP3 1051 7.517 -8.722 20.684 0.00 0.00 WAT1 ATOM 4527 OH2 TIP3 1052 10.012 -7.344 18.653 0.00 0.00 WAT1 ATOM 4528 H1 TIP3 1052 10.503 -7.974 18.125 0.00 0.00 WAT1 ATOM 4529 H2 TIP3 1052 10.635 -7.048 19.316 0.00 0.00 WAT1 END