REMARK FILENAME="/farm/data/gliu/projects/HR4394/cns/calc26c/refinedPDB_w/res" REMARK ***** CHARMM water box from Charlie Brooks. ******** REMARK * This is a box of 216 3-site water molecules in the experimental REMARK * geometry. It was constructed from an equilibrated REMARK * configuration of TIP3P (3-site water model of Jorgenson) REMARK * waters at 1 atm pressure and a density of 0.0334 molecules/A**-3. REMARK * The box edgelength is 18.856 A. The minimum image periodic REMARK * boundary energy for this configuration using the TIP3P REMARK * potentials is -2150.6833 kcal/mol. REMARK DATE:10-Jun-2009 12:08:59 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 14.340 -24.085 10.130 1.00 64.34 ATOM 2 CB MET 1 15.388 -22.225 10.309 1.00 12.41 ATOM 3 HB1 MET 1 15.384 -21.302 9.739 1.00 37.49 ATOM 4 HB2 MET 1 16.416 -22.493 10.522 1.00 55.53 ATOM 5 CG MET 1 14.690 -21.991 11.639 1.00 11.41 ATOM 6 HG1 MET 1 15.056 -22.713 12.353 1.00 37.49 ATOM 7 HG2 MET 1 13.623 -22.122 11.512 1.00 54.15 ATOM 8 SD MET 1 14.978 -20.335 12.293 1.00 72.12 ATOM 9 CE MET 1 16.618 -20.525 12.986 1.00 23.41 ATOM 10 HE1 MET 1 16.953 -19.578 13.383 1.00 13.55 ATOM 11 HE2 MET 1 17.299 -20.854 12.215 1.00 43.34 ATOM 12 HE3 MET 1 16.591 -21.258 13.779 1.00 45.30 ATOM 13 C MET 1 13.632 -22.767 8.612 1.00 72.22 ATOM 14 O MET 1 13.883 -22.140 7.584 1.00 64.45 ATOM 15 N MET 1 15.764 -23.989 8.647 1.00 50.32 ATOM 16 HT1 MET 1 16.492 -24.429 9.249 1.00 37.49 ATOM 17 HT2 MET 1 16.228 -23.298 8.019 1.00 37.49 ATOM 18 HT3 MET 1 15.330 -24.735 8.061 1.00 37.49 ATOM 19 CA MET 1 14.754 -23.338 9.473 1.00 32.13 ATOM 20 N GLY 2 12.392 -22.989 9.039 1.00 42.02 ATOM 21 HN GLY 2 12.242 -23.505 9.865 1.00 37.49 ATOM 22 CA GLY 2 11.251 -22.490 8.294 1.00 32.21 ATOM 23 HA1 GLY 2 10.818 -23.313 7.745 1.00 37.49 ATOM 24 HA2 GLY 2 11.563 -21.732 7.583 1.00 54.12 ATOM 25 C GLY 2 10.182 -21.904 9.195 1.00 30.21 ATOM 26 O GLY 2 9.430 -22.638 9.838 1.00 62.25 ATOM 27 N HIS 3 10.114 -20.578 9.245 1.00 40.42 ATOM 28 HN HIS 3 10.751 -20.037 8.721 1.00 37.49 ATOM 29 CA HIS 3 9.130 -19.893 10.075 1.00 35.03 ATOM 30 HA HIS 3 8.327 -20.587 10.311 1.00 21.43 ATOM 31 CB HIS 3 9.772 -19.419 11.379 1.00 22.11 ATOM 32 HB1 HIS 3 9.266 -18.529 11.737 1.00 37.49 ATOM 33 HB2 HIS 3 10.811 -19.180 11.201 1.00 74.14 ATOM 34 CG HIS 3 9.722 -20.437 12.476 1.00 32.14 ATOM 35 ND1 HIS 3 10.390 -21.642 12.417 1.00 53.05 ATOM 36 HD1 HIS 3 10.976 -21.938 11.696 1.00 25.13 ATOM 37 CD2 HIS 3 9.079 -20.424 13.668 1.00 50.24 ATOM 38 HD2 HIS 3 8.456 -19.628 14.051 1.00 10.33 ATOM 39 CE1 HIS 3 10.159 -22.326 13.523 1.00 74.55 ATOM 40 HE1 HIS 3 10.553 -23.305 13.754 1.00 54.52 ATOM 41 NE2 HIS 3 9.366 -21.609 14.299 1.00 63.14 ATOM 42 HE2 HIS 3 8.962 -21.921 15.135 1.00 37.49 ATOM 43 C HIS 3 8.523 -18.706 9.332 1.00 21.34 ATOM 44 O HIS 3 9.177 -17.680 9.141 1.00 20.44 ATOM 45 N HIS 4 7.270 -18.853 8.915 1.00 72.53 ATOM 46 HN HIS 4 6.797 -19.701 9.093 1.00 37.49 ATOM 47 CA HIS 4 6.575 -17.794 8.192 1.00 2.44 ATOM 48 HA HIS 4 6.591 -16.909 8.815 1.00 55.10 ATOM 49 CB HIS 4 7.278 -17.507 6.865 1.00 11.01 ATOM 50 HB1 HIS 4 6.849 -18.118 6.099 1.00 37.49 ATOM 51 HB2 HIS 4 8.328 -17.735 6.933 1.00 31.35 ATOM 52 CG HIS 4 7.164 -16.081 6.423 1.00 51.42 ATOM 53 ND1 HIS 4 7.368 -15.012 7.269 1.00 11.54 ATOM 54 HD1 HIS 4 7.606 -15.069 8.218 1.00 31.14 ATOM 55 CD2 HIS 4 6.867 -15.550 5.214 1.00 53.33 ATOM 56 HD2 HIS 4 6.649 -16.099 4.309 1.00 23.22 ATOM 57 CE1 HIS 4 7.199 -13.885 6.601 1.00 44.22 ATOM 58 HE1 HIS 4 7.295 -12.889 7.007 1.00 13.41 ATOM 59 NE2 HIS 4 6.895 -14.184 5.351 1.00 40.43 ATOM 60 HE2 HIS 4 6.811 -13.537 4.620 1.00 37.49 ATOM 61 C HIS 4 5.119 -18.173 7.939 1.00 2.43 ATOM 62 O HIS 4 4.699 -19.293 8.230 1.00 30.02 ATOM 63 N HIS 5 4.353 -17.231 7.396 1.00 24.44 ATOM 64 HN HIS 5 4.731 -16.343 7.217 1.00 37.49 ATOM 65 CA HIS 5 2.944 -17.467 7.104 1.00 11.14 ATOM 66 HA HIS 5 2.434 -17.593 8.050 1.00 61.51 ATOM 67 CB HIS 5 2.350 -16.273 6.357 1.00 14.53 ATOM 68 HB1 HIS 5 2.509 -16.382 5.291 1.00 37.49 ATOM 69 HB2 HIS 5 2.839 -15.368 6.690 1.00 14.43 ATOM 70 CG HIS 5 0.881 -16.091 6.590 1.00 62.13 ATOM 71 ND1 HIS 5 -0.025 -15.901 5.568 1.00 63.14 ATOM 72 HD1 HIS 5 0.189 -15.865 4.612 1.00 33.45 ATOM 73 CD2 HIS 5 0.162 -16.073 7.736 1.00 32.11 ATOM 74 HD2 HIS 5 0.550 -16.194 8.738 1.00 74.15 ATOM 75 CE1 HIS 5 -1.237 -15.772 6.075 1.00 35.43 ATOM 76 HE1 HIS 5 -2.144 -15.613 5.511 1.00 61.44 ATOM 77 NE2 HIS 5 -1.152 -15.873 7.389 1.00 22.55 ATOM 78 HE2 HIS 5 -1.889 -15.719 8.016 1.00 37.49 ATOM 79 C HIS 5 2.765 -18.738 6.280 1.00 71.02 ATOM 80 O HIS 5 3.736 -19.313 5.788 1.00 64.12 ATOM 81 N HIS 6 1.517 -19.172 6.133 1.00 10.13 ATOM 82 HN HIS 6 0.776 -18.687 6.558 1.00 37.49 ATOM 83 CA HIS 6 1.211 -20.376 5.368 1.00 11.53 ATOM 84 HA HIS 6 2.117 -20.939 5.229 1.00 62.52 ATOM 85 CB HIS 6 0.223 -21.255 6.135 1.00 24.43 ATOM 86 HB1 HIS 6 0.180 -22.227 5.667 1.00 37.49 ATOM 87 HB2 HIS 6 -0.761 -20.804 6.107 1.00 74.11 ATOM 88 CG HIS 6 0.589 -21.453 7.574 1.00 3.42 ATOM 89 ND1 HIS 6 -0.158 -20.946 8.617 1.00 65.21 ATOM 90 HD1 HIS 6 -0.980 -20.420 8.530 1.00 41.45 ATOM 91 CD2 HIS 6 1.629 -22.107 8.142 1.00 64.24 ATOM 92 HD2 HIS 6 2.419 -22.629 7.621 1.00 61.31 ATOM 93 CE1 HIS 6 0.408 -21.279 9.763 1.00 23.23 ATOM 94 HE1 HIS 6 0.044 -21.019 10.746 1.00 3.15 ATOM 95 NE2 HIS 6 1.494 -21.985 9.503 1.00 41.44 ATOM 96 HE2 HIS 6 2.154 -22.272 10.168 1.00 37.49 ATOM 97 C HIS 6 0.636 -20.019 4.001 1.00 44.43 ATOM 98 O HIS 6 -0.142 -19.073 3.870 1.00 22.14 ATOM 99 N HIS 7 1.026 -20.780 2.983 1.00 32.44 ATOM 100 HN HIS 7 1.657 -21.522 3.149 1.00 37.49 ATOM 101 CA HIS 7 0.550 -20.544 1.625 1.00 35.11 ATOM 102 HA HIS 7 -0.532 -20.549 1.640 1.00 64.12 ATOM 103 CB HIS 7 1.032 -19.183 1.122 1.00 20.25 ATOM 104 HB1 HIS 7 0.836 -18.423 1.858 1.00 37.49 ATOM 105 HB2 HIS 7 0.495 -18.938 0.218 1.00 51.35 ATOM 106 CG HIS 7 2.495 -19.147 0.802 1.00 33.12 ATOM 107 ND1 HIS 7 2.983 -19.165 -0.487 1.00 65.20 ATOM 108 HD1 HIS 7 2.442 -19.203 -1.303 1.00 43.12 ATOM 109 CD2 HIS 7 3.577 -19.092 1.613 1.00 43.12 ATOM 110 HD2 HIS 7 3.567 -19.064 2.693 1.00 3.45 ATOM 111 CE1 HIS 7 4.304 -19.124 -0.456 1.00 35.54 ATOM 112 HE1 HIS 7 4.957 -19.125 -1.316 1.00 71.22 ATOM 113 NE2 HIS 7 4.689 -19.079 0.807 1.00 61.01 ATOM 114 HE2 HIS 7 5.565 -18.752 1.089 1.00 37.49 ATOM 115 C HIS 7 1.026 -21.646 0.683 1.00 12.30 ATOM 116 O HIS 7 1.752 -22.554 1.090 1.00 54.44 ATOM 117 N HIS 8 0.612 -21.560 -0.577 1.00 40.23 ATOM 118 HN HIS 8 0.015 -20.822 -0.845 1.00 37.49 ATOM 119 CA HIS 8 0.996 -22.550 -1.577 1.00 44.43 ATOM 120 HA HIS 8 1.915 -23.033 -1.262 1.00 52.31 ATOM 121 CB HIS 8 -0.101 -23.604 -1.730 1.00 45.32 ATOM 122 HB1 HIS 8 -0.043 -24.058 -2.713 1.00 37.49 ATOM 123 HB2 HIS 8 -1.068 -23.134 -1.620 1.00 14.13 ATOM 124 CG HIS 8 -0.015 -24.708 -0.722 1.00 11.33 ATOM 125 ND1 HIS 8 0.315 -26.005 -1.052 1.00 61.03 ATOM 126 HD1 HIS 8 0.521 -26.332 -1.953 1.00 35.53 ATOM 127 CD2 HIS 8 -0.218 -24.702 0.617 1.00 45.14 ATOM 128 HD2 HIS 8 -0.505 -23.852 1.219 1.00 34.35 ATOM 129 CE1 HIS 8 0.310 -26.750 0.039 1.00 44.22 ATOM 130 HE1 HIS 8 0.531 -27.806 0.084 1.00 52.24 ATOM 131 NE2 HIS 8 -0.009 -25.983 1.066 1.00 53.25 ATOM 132 HE2 HIS 8 0.009 -26.261 2.006 1.00 37.49 ATOM 133 C HIS 8 1.270 -21.884 -2.923 1.00 24.52 ATOM 134 O HIS 8 0.995 -20.699 -3.108 1.00 22.04 ATOM 135 N SER 9 1.815 -22.656 -3.859 1.00 14.52 ATOM 136 HN SER 9 2.010 -23.601 -3.662 1.00 37.49 ATOM 137 CA SER 9 2.130 -22.140 -5.186 1.00 1.23 ATOM 138 HA SER 9 1.886 -21.086 -5.230 1.00 63.41 ATOM 139 CB SER 9 3.623 -22.301 -5.477 1.00 3.11 ATOM 140 HB1 SER 9 3.820 -23.266 -5.927 1.00 37.49 ATOM 141 HB2 SER 9 4.179 -22.224 -4.553 1.00 75.32 ATOM 142 OG SER 9 4.084 -21.287 -6.353 1.00 63.23 ATOM 143 HG SER 9 5.037 -21.356 -6.449 1.00 13.14 ATOM 144 C SER 9 1.312 -22.856 -6.256 1.00 14.03 ATOM 145 O SER 9 0.516 -23.746 -5.953 1.00 61.11 ATOM 146 N HIS 10 1.513 -22.461 -7.509 1.00 15.21 ATOM 147 HN HIS 10 2.163 -21.742 -7.697 1.00 37.49 ATOM 148 CA HIS 10 0.794 -23.065 -8.625 1.00 40.44 ATOM 149 HA HIS 10 0.340 -23.994 -8.296 1.00 4.20 ATOM 150 CB HIS 10 -0.319 -22.133 -9.106 1.00 71.44 ATOM 151 HB1 HIS 10 -1.251 -22.454 -8.664 1.00 37.49 ATOM 152 HB2 HIS 10 -0.412 -22.177 -10.184 1.00 13.43 ATOM 153 CG HIS 10 -0.110 -20.701 -8.722 1.00 22.12 ATOM 154 ND1 HIS 10 0.342 -19.743 -9.605 1.00 22.14 ATOM 155 HD1 HIS 10 0.567 -19.893 -10.547 1.00 4.42 ATOM 156 CD2 HIS 10 -0.295 -20.065 -7.541 1.00 71.23 ATOM 157 HD2 HIS 10 -0.646 -20.511 -6.621 1.00 22.43 ATOM 158 CE1 HIS 10 0.428 -18.580 -8.983 1.00 74.44 ATOM 159 HE1 HIS 10 0.754 -17.650 -9.424 1.00 62.24 ATOM 160 NE2 HIS 10 0.046 -18.749 -7.730 1.00 40.51 ATOM 161 HE2 HIS 10 -0.070 -18.031 -7.073 1.00 37.49 ATOM 162 C HIS 10 1.744 -23.378 -9.777 1.00 64.02 ATOM 163 O HIS 10 2.072 -22.504 -10.579 1.00 62.11 ATOM 164 N MET 11 2.183 -24.630 -9.852 1.00 24.24 ATOM 165 HN MET 11 1.895 -25.285 -9.172 1.00 37.49 ATOM 166 CA MET 11 3.096 -25.058 -10.906 1.00 31.34 ATOM 167 HA MET 11 2.755 -24.612 -11.834 1.00 4.35 ATOM 168 CB MET 11 4.519 -24.586 -10.601 1.00 13.21 ATOM 169 HB1 MET 11 5.219 -25.310 -10.980 1.00 37.49 ATOM 170 HB2 MET 11 4.643 -24.526 -9.526 1.00 34.10 ATOM 171 CG MET 11 4.843 -23.219 -11.183 1.00 30.45 ATOM 172 HG1 MET 11 4.420 -22.462 -10.542 1.00 37.49 ATOM 173 HG2 MET 11 4.413 -23.136 -12.172 1.00 11.12 ATOM 174 SD MET 11 6.617 -22.921 -11.308 1.00 12.13 ATOM 175 CE MET 11 7.098 -24.215 -12.449 1.00 2.13 ATOM 176 HE1 MET 11 6.437 -24.207 -13.302 1.00 54.14 ATOM 177 HE2 MET 11 7.048 -25.174 -11.958 1.00 43.50 ATOM 178 HE3 MET 11 8.110 -24.038 -12.782 1.00 1.40 ATOM 179 C MET 11 3.074 -26.576 -11.061 1.00 13.43 ATOM 180 O MET 11 2.654 -27.309 -10.165 1.00 71.04 ATOM 181 N PRO 12 3.536 -27.059 -12.223 1.00 74.43 ATOM 182 CA PRO 12 3.579 -28.494 -12.522 1.00 42.24 ATOM 183 HA PRO 12 2.614 -28.959 -12.378 1.00 75.42 ATOM 184 CB PRO 12 3.953 -28.536 -14.006 1.00 52.53 ATOM 185 HB1 PRO 12 3.051 -28.583 -14.597 1.00 37.49 ATOM 186 HB2 PRO 12 4.572 -29.394 -14.230 1.00 44.53 ATOM 187 CG PRO 12 4.680 -27.258 -14.250 1.00 34.10 ATOM 188 HG1 PRO 12 4.560 -26.958 -15.281 1.00 37.49 ATOM 189 HG2 PRO 12 5.727 -27.380 -14.012 1.00 54.23 ATOM 190 CD PRO 12 4.051 -26.243 -13.335 1.00 65.33 ATOM 191 HD1 PRO 12 3.246 -25.729 -13.840 1.00 37.49 ATOM 192 HD2 PRO 12 4.790 -25.547 -13.009 1.00 31.11 ATOM 193 C PRO 12 4.624 -29.228 -11.689 1.00 71.22 ATOM 194 O PRO 12 5.725 -29.507 -12.163 1.00 24.21 ATOM 195 N ASP 13 4.271 -29.539 -10.447 1.00 20.12 ATOM 196 HN ASP 13 3.380 -29.276 -10.116 1.00 37.49 ATOM 197 CA ASP 13 5.178 -30.243 -9.548 1.00 21.03 ATOM 198 HA ASP 13 6.178 -30.228 -9.963 1.00 41.41 ATOM 199 CB ASP 13 5.218 -29.551 -8.184 1.00 42.25 ATOM 200 HB1 ASP 13 5.253 -28.480 -8.327 1.00 37.49 ATOM 201 HB2 ASP 13 6.106 -29.866 -7.656 1.00 21.23 ATOM 202 CG ASP 13 4.010 -29.882 -7.331 1.00 74.02 ATOM 203 OD1 ASP 13 4.168 -30.626 -6.341 1.00 22.14 ATOM 204 OD2 ASP 13 2.905 -29.397 -7.654 1.00 4.55 ATOM 205 C ASP 13 4.756 -31.699 -9.380 1.00 72.34 ATOM 206 O ASP 13 5.580 -32.566 -9.086 1.00 51.24 ATOM 207 N HIS 14 3.466 -31.962 -9.569 1.00 3.44 ATOM 208 HN HIS 14 2.841 -31.234 -9.774 1.00 37.49 ATOM 209 CA HIS 14 2.934 -33.313 -9.438 1.00 21.40 ATOM 210 HA HIS 14 3.026 -33.601 -8.397 1.00 41.13 ATOM 211 CB HIS 14 1.462 -33.347 -9.850 1.00 41.32 ATOM 212 HB1 HIS 14 1.236 -34.293 -10.320 1.00 37.49 ATOM 213 HB2 HIS 14 1.261 -32.552 -10.554 1.00 23.22 ATOM 214 CG HIS 14 0.515 -33.190 -8.701 1.00 75.00 ATOM 215 ND1 HIS 14 -0.184 -34.245 -8.152 1.00 5.10 ATOM 216 HD1 HIS 14 -0.137 -35.178 -8.447 1.00 52.21 ATOM 217 CD2 HIS 14 0.152 -32.093 -7.995 1.00 63.24 ATOM 218 HD2 HIS 14 0.507 -31.084 -8.152 1.00 3.34 ATOM 219 CE1 HIS 14 -0.935 -33.803 -7.160 1.00 34.45 ATOM 220 HE1 HIS 14 -1.589 -34.405 -6.547 1.00 32.54 ATOM 221 NE2 HIS 14 -0.750 -32.501 -7.043 1.00 45.15 ATOM 222 HE2 HIS 14 -1.109 -31.942 -6.323 1.00 37.49 ATOM 223 C HIS 14 3.735 -34.297 -10.286 1.00 54.34 ATOM 224 O HIS 14 4.255 -33.940 -11.343 1.00 30.34 ATOM 225 N GLY 15 3.829 -35.537 -9.816 1.00 4.33 ATOM 226 HN GLY 15 3.394 -35.777 -8.967 1.00 37.49 ATOM 227 CA GLY 15 4.569 -36.552 -10.543 1.00 52.21 ATOM 228 HA1 GLY 15 5.188 -37.088 -9.839 1.00 37.49 ATOM 229 HA2 GLY 15 5.214 -36.098 -11.286 1.00 31.10 ATOM 230 C GLY 15 3.659 -37.550 -11.232 1.00 2.05 ATOM 231 O GLY 15 3.690 -38.742 -10.925 1.00 53.01 ATOM 232 N ASP 16 2.847 -37.063 -12.163 1.00 33.12 ATOM 233 HN ASP 16 2.855 -36.097 -12.361 1.00 37.49 ATOM 234 CA ASP 16 1.923 -37.921 -12.896 1.00 63.03 ATOM 235 HA ASP 16 2.218 -38.956 -12.769 1.00 32.44 ATOM 236 CB ASP 16 0.501 -37.752 -12.360 1.00 51.42 ATOM 237 HB1 ASP 16 0.506 -37.913 -11.292 1.00 37.49 ATOM 238 HB2 ASP 16 -0.143 -38.484 -12.826 1.00 12.21 ATOM 239 CG ASP 16 -0.060 -36.370 -12.634 1.00 73.10 ATOM 240 OD1 ASP 16 -1.204 -36.282 -13.127 1.00 40.21 ATOM 241 OD2 ASP 16 0.645 -35.377 -12.356 1.00 34.10 ATOM 242 C ASP 16 1.959 -37.607 -14.389 1.00 15.43 ATOM 243 O ASP 16 0.916 -37.490 -15.033 1.00 1.31 ATOM 244 N TRP 17 3.163 -37.470 -14.931 1.00 22.13 ATOM 245 HN TRP 17 3.966 -37.598 -14.371 1.00 37.49 ATOM 246 CA TRP 17 3.334 -37.168 -16.347 1.00 52.04 ATOM 247 HA TRP 17 2.530 -36.509 -16.660 1.00 63.23 ATOM 248 CB TRP 17 4.671 -36.463 -16.582 1.00 60.52 ATOM 249 HB1 TRP 17 4.917 -36.495 -17.637 1.00 37.49 ATOM 250 HB2 TRP 17 5.444 -36.976 -16.028 1.00 21.45 ATOM 251 CG TRP 17 4.665 -35.023 -16.167 1.00 32.55 ATOM 252 CD1 TRP 17 5.410 -34.454 -15.174 1.00 40.30 ATOM 253 HD1 TRP 17 6.112 -34.993 -14.555 1.00 21.22 ATOM 254 CD2 TRP 17 3.874 -33.972 -16.731 1.00 32.00 ATOM 255 NE1 TRP 17 5.130 -33.111 -15.087 1.00 71.34 ATOM 256 HE1 TRP 17 5.537 -32.485 -14.452 1.00 33.01 ATOM 257 CE2 TRP 17 4.191 -32.791 -16.032 1.00 43.23 ATOM 258 CE3 TRP 17 2.930 -33.913 -17.760 1.00 11.23 ATOM 259 HE3 TRP 17 2.659 -34.795 -18.320 1.00 22.41 ATOM 260 CZ2 TRP 17 3.597 -31.568 -16.330 1.00 52.51 ATOM 261 HZ2 TRP 17 3.844 -30.668 -15.793 1.00 2.10 ATOM 262 CZ3 TRP 17 2.341 -32.698 -18.054 1.00 34.01 ATOM 263 HZ3 TRP 17 1.609 -32.634 -18.845 1.00 64.04 ATOM 264 CH2 TRP 17 2.676 -31.539 -17.342 1.00 1.30 ATOM 265 HH2 TRP 17 2.190 -30.611 -17.606 1.00 14.23 ATOM 266 C TRP 17 3.260 -38.438 -17.188 1.00 32.03 ATOM 267 O TRP 17 2.670 -38.446 -18.269 1.00 64.30 ATOM 268 N THR 18 3.861 -39.512 -16.684 1.00 43.44 ATOM 269 HN THR 18 4.323 -39.450 -15.815 1.00 37.49 ATOM 270 CA THR 18 3.864 -40.787 -17.389 1.00 61.15 ATOM 271 HA THR 18 4.092 -40.603 -18.434 1.00 61.11 ATOM 272 CB THR 18 4.935 -41.739 -16.824 1.00 42.04 ATOM 273 HB THR 18 4.891 -42.686 -17.342 1.00 54.24 ATOM 274 OG1 THR 18 4.705 -41.963 -15.429 1.00 75.01 ATOM 275 HG1 THR 18 4.038 -42.644 -15.317 1.00 42.55 ATOM 276 CG2 THR 18 6.330 -41.166 -17.028 1.00 13.05 ATOM 277 HG21 THR 18 6.410 -40.216 -16.520 1.00 53.10 ATOM 278 HG22 THR 18 6.514 -41.027 -18.084 1.00 63.21 ATOM 279 HG23 THR 18 7.061 -41.851 -16.624 1.00 75.10 ATOM 280 C THR 18 2.502 -41.465 -17.304 1.00 74.50 ATOM 281 O THR 18 1.555 -40.911 -16.745 1.00 2.11 ATOM 282 N TYR 19 2.409 -42.668 -17.861 1.00 11.12 ATOM 283 HN TYR 19 3.194 -43.055 -18.291 1.00 37.49 ATOM 284 CA TYR 19 1.161 -43.422 -17.849 1.00 13.52 ATOM 285 HA TYR 19 0.335 -42.739 -17.689 1.00 40.13 ATOM 286 CB TYR 19 0.949 -44.120 -19.193 1.00 44.01 ATOM 287 HB1 TYR 19 0.758 -43.366 -19.946 1.00 37.49 ATOM 288 HB2 TYR 19 0.083 -44.770 -19.131 1.00 72.24 ATOM 289 CG TYR 19 2.135 -44.946 -19.639 1.00 75.12 ATOM 290 CD1 TYR 19 2.309 -46.248 -19.186 1.00 41.13 ATOM 291 HD1 TYR 19 1.585 -46.672 -18.504 1.00 70.03 ATOM 292 CD2 TYR 19 3.079 -44.425 -20.515 1.00 3.13 ATOM 293 HD2 TYR 19 2.961 -43.414 -20.879 1.00 71.33 ATOM 294 CE1 TYR 19 3.391 -47.006 -19.591 1.00 11.23 ATOM 295 HE1 TYR 19 3.508 -48.016 -19.228 1.00 55.21 ATOM 296 CE2 TYR 19 4.163 -45.176 -20.926 1.00 25.13 ATOM 297 HE2 TYR 19 4.886 -44.752 -21.607 1.00 14.44 ATOM 298 CZ TYR 19 4.315 -46.466 -20.461 1.00 1.35 ATOM 299 OH TYR 19 5.393 -47.218 -20.867 1.00 23.01 ATOM 300 HH TYR 19 5.105 -47.892 -21.491 1.00 4.14 ATOM 301 C TYR 19 1.156 -44.450 -16.722 1.00 63.32 ATOM 302 O TYR 19 0.099 -44.844 -16.232 1.00 31.42 ATOM 303 N GLU 20 2.347 -44.880 -16.317 1.00 44.21 ATOM 304 HN GLU 20 3.154 -44.530 -16.745 1.00 37.49 ATOM 305 CA GLU 20 2.481 -45.863 -15.248 1.00 43.15 ATOM 306 HA GLU 20 2.080 -46.800 -15.611 1.00 24.30 ATOM 307 CB GLU 20 3.956 -46.062 -14.890 1.00 15.51 ATOM 308 HB1 GLU 20 4.027 -46.903 -14.213 1.00 37.49 ATOM 309 HB2 GLU 20 4.324 -45.174 -14.390 1.00 21.13 ATOM 310 CG GLU 20 4.845 -46.322 -16.094 1.00 1.12 ATOM 311 HG1 GLU 20 5.121 -45.375 -16.533 1.00 37.49 ATOM 312 HG2 GLU 20 4.304 -46.911 -16.823 1.00 52.34 ATOM 313 CD GLU 20 6.114 -47.068 -15.731 1.00 4.21 ATOM 314 OE1 GLU 20 6.784 -47.584 -16.650 1.00 53.42 ATOM 315 OE2 GLU 20 6.438 -47.135 -14.527 1.00 24.14 ATOM 316 C GLU 20 1.699 -45.431 -14.011 1.00 62.42 ATOM 317 O GLU 20 1.566 -44.240 -13.733 1.00 71.15 ATOM 318 N GLU 21 1.184 -46.410 -13.273 1.00 1.40 ATOM 319 HN GLU 21 1.337 -47.349 -13.537 1.00 37.49 ATOM 320 CA GLU 21 0.414 -46.131 -12.066 1.00 42.25 ATOM 321 HA GLU 21 -0.079 -45.172 -12.179 1.00 50.01 ATOM 322 CB GLU 21 -0.659 -47.202 -11.860 1.00 64.33 ATOM 323 HB1 GLU 21 -0.188 -48.172 -11.819 1.00 37.49 ATOM 324 HB2 GLU 21 -1.330 -47.179 -12.707 1.00 72.51 ATOM 325 CG GLU 21 -1.486 -47.001 -10.602 1.00 11.10 ATOM 326 HG1 GLU 21 -2.144 -46.158 -10.752 1.00 37.49 ATOM 327 HG2 GLU 21 -0.840 -46.805 -9.761 1.00 44.42 ATOM 328 CD GLU 21 -2.331 -48.212 -10.260 1.00 35.33 ATOM 329 OE1 GLU 21 -2.367 -49.160 -11.072 1.00 32.24 ATOM 330 OE2 GLU 21 -2.957 -48.212 -9.179 1.00 13.12 ATOM 331 C GLU 21 1.324 -46.065 -10.843 1.00 43.23 ATOM 332 O GLU 21 1.601 -44.985 -10.321 1.00 71.32 ATOM 333 N GLN 22 1.785 -47.227 -10.393 1.00 21.14 ATOM 334 HN GLN 22 1.570 -48.059 -10.870 1.00 37.49 ATOM 335 CA GLN 22 2.663 -47.301 -9.230 1.00 73.45 ATOM 336 HA GLN 22 2.101 -46.967 -8.369 1.00 65.10 ATOM 337 CB GLN 22 3.112 -48.745 -8.996 1.00 0.42 ATOM 338 HB1 GLN 22 2.229 -49.365 -8.923 1.00 37.49 ATOM 339 HB2 GLN 22 3.642 -48.799 -8.058 1.00 1.34 ATOM 340 CG GLN 22 3.980 -49.301 -10.113 1.00 52.12 ATOM 341 HG1 GLN 22 3.613 -48.948 -11.068 1.00 37.49 ATOM 342 HG2 GLN 22 3.920 -50.379 -10.088 1.00 13.22 ATOM 343 CD GLN 22 5.436 -48.903 -9.974 1.00 60.13 ATOM 344 OE1 GLN 22 6.023 -48.323 -10.888 1.00 51.21 ATOM 345 NE2 GLN 22 6.028 -49.213 -8.827 1.00 30.51 ATOM 346 HE21 GLN 22 5.520 -49.683 -8.130 1.00 64.10 ATOM 347 HE22 GLN 22 6.959 -48.957 -8.719 1.00 52.14 ATOM 348 C GLN 22 3.880 -46.400 -9.409 1.00 11.01 ATOM 349 O GLN 22 4.296 -46.116 -10.532 1.00 74.15 ATOM 350 N PHE 23 4.447 -45.952 -8.294 1.00 30.34 ATOM 351 HN PHE 23 4.080 -46.221 -7.419 1.00 37.49 ATOM 352 CA PHE 23 5.616 -45.081 -8.327 1.00 22.52 ATOM 353 HA PHE 23 5.742 -44.716 -9.340 1.00 74.22 ATOM 354 CB PHE 23 5.419 -43.891 -7.386 1.00 54.13 ATOM 355 HB1 PHE 23 5.864 -44.091 -6.418 1.00 37.49 ATOM 356 HB2 PHE 23 4.357 -43.732 -7.245 1.00 40.55 ATOM 357 CG PHE 23 5.983 -42.605 -7.920 1.00 22.32 ATOM 358 CD1 PHE 23 5.566 -42.105 -9.143 1.00 10.13 ATOM 359 HD1 PHE 23 4.826 -42.646 -9.718 1.00 25.01 ATOM 360 CD2 PHE 23 6.931 -41.897 -7.198 1.00 74.24 ATOM 361 HD2 PHE 23 7.267 -42.275 -6.242 1.00 23.50 ATOM 362 CE1 PHE 23 6.085 -40.923 -9.636 1.00 54.41 ATOM 363 HE1 PHE 23 5.752 -40.544 -10.591 1.00 51.23 ATOM 364 CE2 PHE 23 7.453 -40.714 -7.687 1.00 35.04 ATOM 365 HE2 PHE 23 8.191 -40.173 -7.121 1.00 50.15 ATOM 366 CZ PHE 23 7.028 -40.226 -8.907 1.00 0.33 ATOM 367 HZ PHE 23 7.434 -39.302 -9.291 1.00 71.13 ATOM 368 C PHE 23 6.877 -45.848 -7.937 1.00 34.20 ATOM 369 O PHE 23 7.163 -46.036 -6.754 1.00 52.52 ATOM 370 N LYS 24 7.627 -46.290 -8.940 1.00 71.34 ATOM 371 HN LYS 24 7.349 -46.103 -9.869 1.00 37.49 ATOM 372 CA LYS 24 8.857 -47.036 -8.705 1.00 65.34 ATOM 373 HA LYS 24 8.644 -47.820 -7.988 1.00 25.52 ATOM 374 CB LYS 24 9.351 -47.670 -10.008 1.00 75.30 ATOM 375 HB1 LYS 24 9.861 -46.919 -10.600 1.00 37.49 ATOM 376 HB2 LYS 24 8.493 -48.012 -10.570 1.00 31.14 ATOM 377 CG LYS 24 10.309 -48.830 -9.796 1.00 15.33 ATOM 378 HG1 LYS 24 10.826 -48.707 -8.853 1.00 37.49 ATOM 379 HG2 LYS 24 11.037 -48.829 -10.595 1.00 33.03 ATOM 380 CD LYS 24 9.577 -50.162 -9.781 1.00 4.44 ATOM 381 HD1 LYS 24 8.691 -50.086 -9.169 1.00 37.49 ATOM 382 HD2 LYS 24 10.234 -50.910 -9.362 1.00 71.31 ATOM 383 CE LYS 24 9.179 -50.595 -11.183 1.00 45.02 ATOM 384 HE1 LYS 24 8.795 -49.750 -11.737 1.00 37.49 ATOM 385 HE2 LYS 24 8.404 -51.343 -11.101 1.00 44.41 ATOM 386 NZ LYS 24 10.327 -51.183 -11.929 1.00 11.43 ATOM 387 HZ1 LYS 24 10.701 -52.014 -11.423 1.00 24.41 ATOM 388 HZ2 LYS 24 11.089 -50.483 -12.034 1.00 54.54 ATOM 389 HZ3 LYS 24 10.018 -51.481 -12.876 1.00 15.04 ATOM 390 C LYS 24 9.940 -46.131 -8.126 1.00 63.35 ATOM 391 O LYS 24 10.904 -46.607 -7.527 1.00 60.54 ATOM 392 N GLN 25 9.773 -44.825 -8.309 1.00 23.35 ATOM 393 HN GLN 25 9.010 -44.495 -8.831 1.00 37.49 ATOM 394 CA GLN 25 10.737 -43.855 -7.803 1.00 51.20 ATOM 395 HA GLN 25 11.665 -44.038 -8.315 1.00 51.12 ATOM 396 CB GLN 25 10.250 -42.431 -8.078 1.00 3.22 ATOM 397 HB1 GLN 25 9.664 -42.085 -7.242 1.00 37.49 ATOM 398 HB2 GLN 25 9.629 -42.427 -8.963 1.00 43.43 ATOM 399 CG GLN 25 11.377 -41.435 -8.298 1.00 43.34 ATOM 400 HG1 GLN 25 11.962 -41.367 -7.391 1.00 37.49 ATOM 401 HG2 GLN 25 10.944 -40.470 -8.516 1.00 14.21 ATOM 402 CD GLN 25 12.285 -41.825 -9.448 1.00 72.52 ATOM 403 OE1 GLN 25 11.962 -41.596 -10.614 1.00 64.13 ATOM 404 NE2 GLN 25 13.428 -42.419 -9.125 1.00 73.32 ATOM 405 HE21 GLN 25 13.635 -42.578 -8.176 1.00 53.02 ATOM 406 HE22 GLN 25 14.028 -42.678 -9.855 1.00 73.33 ATOM 407 C GLN 25 10.969 -44.046 -6.308 1.00 13.12 ATOM 408 O GLN 25 12.104 -44.220 -5.862 1.00 12.40 ATOM 409 N LEU 26 9.887 -44.012 -5.538 1.00 30.45 ATOM 410 HN LEU 26 9.004 -43.863 -5.955 1.00 37.49 ATOM 411 CA LEU 26 9.972 -44.182 -4.091 1.00 41.21 ATOM 412 HA LEU 26 10.519 -43.350 -3.711 1.00 15.00 ATOM 413 CB LEU 26 8.571 -44.201 -3.477 1.00 4.23 ATOM 414 HB1 LEU 26 8.568 -44.879 -2.639 1.00 37.49 ATOM 415 HB2 LEU 26 7.880 -44.586 -4.216 1.00 3.42 ATOM 416 CG LEU 26 8.039 -42.857 -2.979 1.00 14.14 ATOM 417 HG LEU 26 8.013 -42.160 -3.804 1.00 42.11 ATOM 418 CD1 LEU 26 6.622 -43.008 -2.447 1.00 74.25 ATOM 419 HD11 LEU 26 6.642 -43.455 -1.461 1.00 73.45 ATOM 420 HD12 LEU 26 6.048 -43.643 -3.104 1.00 24.00 ATOM 421 HD13 LEU 26 6.155 -42.036 -2.389 1.00 21.31 ATOM 422 CD2 LEU 26 8.954 -42.285 -1.906 1.00 11.21 ATOM 423 HD21 LEU 26 9.218 -43.049 -1.187 1.00 4.22 ATOM 424 HD22 LEU 26 8.453 -41.472 -1.397 1.00 54.40 ATOM 425 HD23 LEU 26 9.842 -41.901 -2.371 1.00 13.22 ATOM 426 C LEU 26 10.713 -45.467 -3.736 1.00 1.11 ATOM 427 O LEU 26 11.344 -45.561 -2.683 1.00 0.12 ATOM 428 N TYR 27 10.634 -46.453 -4.622 1.00 32.30 ATOM 429 HN TYR 27 10.084 -46.349 -5.426 1.00 37.49 ATOM 430 CA TYR 27 11.297 -47.733 -4.402 1.00 73.22 ATOM 431 HA TYR 27 11.263 -47.963 -3.342 1.00 12.02 ATOM 432 CB TYR 27 10.579 -48.842 -5.173 1.00 34.31 ATOM 433 HB1 TYR 27 11.239 -49.698 -5.275 1.00 37.49 ATOM 434 HB2 TYR 27 10.322 -48.482 -6.156 1.00 33.31 ATOM 435 CG TYR 27 9.301 -49.310 -4.512 1.00 44.53 ATOM 436 CD1 TYR 27 9.136 -50.637 -4.136 1.00 13.42 ATOM 437 HD1 TYR 27 9.931 -51.337 -4.333 1.00 20.21 ATOM 438 CD2 TYR 27 8.260 -48.423 -4.264 1.00 25.24 ATOM 439 HD2 TYR 27 8.360 -47.390 -4.550 1.00 65.32 ATOM 440 CE1 TYR 27 7.970 -51.068 -3.533 1.00 1.22 ATOM 441 HE1 TYR 27 7.856 -52.102 -3.249 1.00 0.31 ATOM 442 CE2 TYR 27 7.092 -48.845 -3.660 1.00 32.33 ATOM 443 HE2 TYR 27 6.300 -48.138 -3.482 1.00 14.43 ATOM 444 CZ TYR 27 6.951 -50.168 -3.297 1.00 23.54 ATOM 445 OH TYR 27 5.789 -50.594 -2.695 1.00 2.23 ATOM 446 HH TYR 27 5.079 -50.628 -3.343 1.00 43.20 ATOM 447 C TYR 27 12.761 -47.669 -4.827 1.00 55.32 ATOM 448 O TYR 27 13.611 -48.358 -4.266 1.00 64.45 ATOM 449 N GLU 28 13.045 -46.834 -5.822 1.00 72.12 ATOM 450 HN GLU 28 12.330 -46.324 -6.254 1.00 37.49 ATOM 451 CA GLU 28 14.405 -46.679 -6.323 1.00 65.11 ATOM 452 HA GLU 28 14.991 -47.546 -6.037 1.00 62.51 ATOM 453 CB GLU 28 14.402 -46.579 -7.850 1.00 23.20 ATOM 454 HB1 GLU 28 15.384 -46.266 -8.189 1.00 37.49 ATOM 455 HB2 GLU 28 13.676 -45.838 -8.149 1.00 1.44 ATOM 456 CG GLU 28 14.060 -47.886 -8.545 1.00 33.43 ATOM 457 HG1 GLU 28 12.998 -48.058 -8.455 1.00 37.49 ATOM 458 HG2 GLU 28 14.597 -48.695 -8.066 1.00 65.12 ATOM 459 CD GLU 28 14.425 -47.878 -10.017 1.00 14.25 ATOM 460 OE1 GLU 28 14.257 -46.822 -10.662 1.00 62.14 ATOM 461 OE2 GLU 28 14.877 -48.926 -10.522 1.00 50.03 ATOM 462 C GLU 28 15.069 -45.443 -5.723 1.00 14.30 ATOM 463 O GLU 28 15.902 -44.799 -6.362 1.00 53.23 ATOM 464 N LEU 29 14.693 -45.116 -4.491 1.00 71.43 ATOM 465 HN LEU 29 14.055 -45.674 -4.006 1.00 37.49 ATOM 466 CA LEU 29 15.250 -43.957 -3.803 1.00 40.24 ATOM 467 HA LEU 29 15.253 -43.122 -4.490 1.00 32.14 ATOM 468 CB LEU 29 14.393 -43.600 -2.588 1.00 13.40 ATOM 469 HB1 LEU 29 14.942 -42.899 -1.966 1.00 37.49 ATOM 470 HB2 LEU 29 14.245 -44.508 -2.017 1.00 52.04 ATOM 471 CG LEU 29 13.022 -42.992 -2.889 1.00 3.44 ATOM 472 HG LEU 29 12.526 -43.619 -3.586 1.00 50.11 ATOM 473 CD1 LEU 29 12.187 -42.904 -1.621 1.00 22.54 ATOM 474 HD11 LEU 29 11.820 -41.900 -1.485 1.00 2.12 ATOM 475 HD12 LEU 29 12.776 -43.179 -0.755 1.00 64.30 ATOM 476 HD13 LEU 29 11.349 -43.569 -1.695 1.00 42.51 ATOM 477 CD2 LEU 29 13.176 -41.617 -3.523 1.00 62.25 ATOM 478 HD21 LEU 29 13.639 -41.719 -4.492 1.00 55.52 ATOM 479 HD22 LEU 29 13.796 -40.993 -2.896 1.00 51.43 ATOM 480 HD23 LEU 29 12.204 -41.155 -3.642 1.00 32.23 ATOM 481 C LEU 29 16.687 -44.222 -3.366 1.00 42.52 ATOM 482 O LEU 29 17.591 -43.440 -3.664 1.00 30.34 ATOM 483 N ASP 30 16.891 -45.329 -2.661 1.00 11.53 ATOM 484 HN ASP 30 16.128 -45.906 -2.435 1.00 37.49 ATOM 485 CA ASP 30 18.219 -45.699 -2.185 1.00 51.42 ATOM 486 HA ASP 30 18.934 -44.940 -2.483 1.00 23.21 ATOM 487 CB ASP 30 18.227 -45.802 -0.659 1.00 60.13 ATOM 488 HB1 ASP 30 19.167 -46.224 -0.327 1.00 37.49 ATOM 489 HB2 ASP 30 17.432 -46.439 -0.358 1.00 51.52 ATOM 490 CG ASP 30 18.053 -44.455 0.013 1.00 10.43 ATOM 491 OD1 ASP 30 18.613 -44.264 1.113 1.00 70.11 ATOM 492 OD2 ASP 30 17.356 -43.591 -0.559 1.00 51.25 ATOM 493 C ASP 30 18.667 -47.021 -2.799 1.00 60.15 ATOM 494 O ASP 30 19.837 -47.196 -3.135 1.00 65.24 ATOM 495 N GLY 31 17.727 -47.950 -2.942 1.00 73.44 ATOM 496 HN GLY 31 16.811 -47.786 -2.637 1.00 37.49 ATOM 497 CA GLY 31 18.045 -49.246 -3.515 1.00 13.53 ATOM 498 HA1 GLY 31 18.874 -49.158 -4.207 1.00 37.49 ATOM 499 HA2 GLY 31 17.181 -49.597 -4.061 1.00 43.34 ATOM 500 C GLY 31 18.394 -50.276 -2.459 1.00 54.02 ATOM 501 O GLY 31 19.413 -50.959 -2.562 1.00 10.34 ATOM 502 N ASP 32 17.547 -50.388 -1.442 1.00 21.04 ATOM 503 HN ASP 32 16.740 -49.822 -1.413 1.00 37.49 ATOM 504 CA ASP 32 17.771 -51.342 -0.362 1.00 24.30 ATOM 505 HA ASP 32 18.753 -51.778 -0.501 1.00 52.13 ATOM 506 CB ASP 32 17.724 -50.633 0.992 1.00 21.13 ATOM 507 HB1 ASP 32 17.018 -51.120 1.654 1.00 37.49 ATOM 508 HB2 ASP 32 17.416 -49.613 0.842 1.00 54.21 ATOM 509 CG ASP 32 19.076 -50.604 1.678 1.00 33.43 ATOM 510 OD1 ASP 32 19.182 -51.138 2.803 1.00 63.14 ATOM 511 OD2 ASP 32 20.027 -50.049 1.091 1.00 62.13 ATOM 512 C ASP 32 16.734 -52.461 -0.401 1.00 5.40 ATOM 513 O ASP 32 15.628 -52.297 -0.916 1.00 42.00 ATOM 514 N PRO 33 17.099 -53.626 0.155 1.00 12.51 ATOM 515 CA PRO 33 16.215 -54.794 0.196 1.00 54.00 ATOM 516 HA PRO 33 15.851 -55.051 -0.784 1.00 70.41 ATOM 517 CB PRO 33 17.128 -55.913 0.703 1.00 43.33 ATOM 518 HB1 PRO 33 17.547 -56.441 -0.141 1.00 37.49 ATOM 519 HB2 PRO 33 16.578 -56.609 1.325 1.00 2.22 ATOM 520 CG PRO 33 18.192 -55.212 1.475 1.00 22.12 ATOM 521 HG1 PRO 33 19.102 -55.793 1.457 1.00 37.49 ATOM 522 HG2 PRO 33 17.865 -55.057 2.493 1.00 2.44 ATOM 523 CD PRO 33 18.402 -53.892 0.787 1.00 11.53 ATOM 524 HD1 PRO 33 19.185 -53.969 0.047 1.00 37.49 ATOM 525 HD2 PRO 33 18.642 -53.148 1.515 1.00 15.11 ATOM 526 C PRO 33 15.037 -54.597 1.145 1.00 61.03 ATOM 527 O PRO 33 14.062 -55.348 1.105 1.00 1.32 ATOM 528 N LYS 34 15.133 -53.582 1.997 1.00 25.31 ATOM 529 HN LYS 34 15.945 -53.033 2.027 1.00 37.49 ATOM 530 CA LYS 34 14.076 -53.285 2.956 1.00 52.45 ATOM 531 HA LYS 34 13.436 -54.153 3.063 1.00 1.51 ATOM 532 CB LYS 34 14.677 -52.962 4.326 1.00 73.05 ATOM 533 HB1 LYS 34 13.874 -52.748 5.018 1.00 37.49 ATOM 534 HB2 LYS 34 15.293 -52.075 4.228 1.00 70.24 ATOM 535 CG LYS 34 15.550 -54.072 4.883 1.00 25.31 ATOM 536 HG1 LYS 34 16.496 -53.638 5.179 1.00 37.49 ATOM 537 HG2 LYS 34 15.728 -54.825 4.125 1.00 60.40 ATOM 538 CD LYS 34 14.903 -54.742 6.084 1.00 51.14 ATOM 539 HD1 LYS 34 14.392 -55.633 5.750 1.00 37.49 ATOM 540 HD2 LYS 34 14.192 -54.075 6.554 1.00 3.43 ATOM 541 CE LYS 34 15.937 -55.137 7.126 1.00 22.24 ATOM 542 HE1 LYS 34 15.421 -55.505 8.000 1.00 37.49 ATOM 543 HE2 LYS 34 16.520 -54.267 7.397 1.00 52.01 ATOM 544 NZ LYS 34 16.852 -56.199 6.625 1.00 65.40 ATOM 545 HZ1 LYS 34 17.404 -55.851 5.814 1.00 65.43 ATOM 546 HZ2 LYS 34 16.310 -57.037 6.328 1.00 13.11 ATOM 547 HZ3 LYS 34 17.511 -56.482 7.379 1.00 44.51 ATOM 548 C LYS 34 13.220 -52.116 2.476 1.00 22.32 ATOM 549 O LYS 34 12.118 -51.895 2.978 1.00 70.11 ATOM 550 N ARG 35 13.734 -51.373 1.502 1.00 44.20 ATOM 551 HN ARG 35 14.623 -51.582 1.147 1.00 37.49 ATOM 552 CA ARG 35 13.017 -50.228 0.955 1.00 11.40 ATOM 553 HA ARG 35 12.889 -49.511 1.756 1.00 2.12 ATOM 554 CB ARG 35 13.818 -49.593 -0.183 1.00 42.20 ATOM 555 HB1 ARG 35 13.349 -49.801 -1.135 1.00 37.49 ATOM 556 HB2 ARG 35 14.812 -50.022 -0.208 1.00 53.45 ATOM 557 CG ARG 35 13.946 -48.083 -0.069 1.00 42.52 ATOM 558 HG1 ARG 35 13.163 -47.689 0.566 1.00 37.49 ATOM 559 HG2 ARG 35 13.852 -47.654 -1.056 1.00 24.44 ATOM 560 CD ARG 35 15.296 -47.679 0.504 1.00 32.52 ATOM 561 HD1 ARG 35 15.301 -46.604 0.611 1.00 37.49 ATOM 562 HD2 ARG 35 16.065 -47.981 -0.191 1.00 22.01 ATOM 563 NE ARG 35 15.552 -48.310 1.797 1.00 54.25 ATOM 564 HE ARG 35 15.065 -49.123 2.029 1.00 50.32 ATOM 565 CZ ARG 35 16.425 -47.843 2.682 1.00 64.14 ATOM 566 NH1 ARG 35 17.123 -46.748 2.415 1.00 11.53 ATOM 567 HH11 ARG 35 17.002 -46.260 1.581 1.00 12.35 ATOM 568 HH12 ARG 35 17.791 -46.411 3.082 1.00 3.50 ATOM 569 NH2 ARG 35 16.602 -48.473 3.836 1.00 4.53 ATOM 570 HH21 ARG 35 16.078 -49.302 4.043 1.00 41.43 ATOM 571 HH22 ARG 35 17.260 -48.123 4.506 1.00 41.25 ATOM 572 C ARG 35 11.637 -50.641 0.451 1.00 1.42 ATOM 573 O ARG 35 10.615 -50.218 0.991 1.00 14.32 ATOM 574 N LYS 36 11.616 -51.469 -0.587 1.00 53.04 ATOM 575 HN LYS 36 12.458 -51.730 -0.995 1.00 37.49 ATOM 576 CA LYS 36 10.363 -51.941 -1.165 1.00 13.32 ATOM 577 HA LYS 36 9.823 -51.082 -1.530 1.00 65.42 ATOM 578 CB LYS 36 10.641 -52.891 -2.332 1.00 11.22 ATOM 579 HB1 LYS 36 11.414 -52.482 -2.958 1.00 37.49 ATOM 580 HB2 LYS 36 9.742 -52.980 -2.914 1.00 2.11 ATOM 581 CG LYS 36 11.015 -54.297 -1.896 1.00 14.14 ATOM 582 HG1 LYS 36 11.013 -54.935 -2.767 1.00 37.49 ATOM 583 HG2 LYS 36 10.293 -54.680 -1.194 1.00 44.21 ATOM 584 CD LYS 36 12.396 -54.336 -1.263 1.00 53.13 ATOM 585 HD1 LYS 36 12.613 -55.358 -0.988 1.00 37.49 ATOM 586 HD2 LYS 36 12.422 -53.729 -0.385 1.00 63.01 ATOM 587 CE LYS 36 13.467 -53.867 -2.235 1.00 43.53 ATOM 588 HE1 LYS 36 14.424 -54.087 -1.810 1.00 37.49 ATOM 589 HE2 LYS 36 13.386 -52.808 -2.393 1.00 21.14 ATOM 590 NZ LYS 36 13.370 -54.564 -3.547 1.00 62.52 ATOM 591 HZ1 LYS 36 14.247 -54.418 -4.087 1.00 64.31 ATOM 592 HZ2 LYS 36 12.577 -54.183 -4.102 1.00 74.21 ATOM 593 HZ3 LYS 36 13.229 -55.589 -3.415 1.00 5.02 ATOM 594 C LYS 36 9.510 -52.645 -0.114 1.00 65.11 ATOM 595 O LYS 36 8.287 -52.698 -0.229 1.00 15.10 ATOM 596 N GLU 37 10.166 -53.183 0.910 1.00 61.13 ATOM 597 HN GLU 37 11.140 -53.136 0.953 1.00 37.49 ATOM 598 CA GLU 37 9.467 -53.883 1.981 1.00 73.44 ATOM 599 HA GLU 37 8.755 -54.568 1.534 1.00 24.11 ATOM 600 CB GLU 37 10.457 -54.686 2.827 1.00 70.32 ATOM 601 HB1 GLU 37 9.926 -55.115 3.669 1.00 37.49 ATOM 602 HB2 GLU 37 11.222 -54.029 3.197 1.00 65.31 ATOM 603 CG GLU 37 11.128 -55.818 2.068 1.00 62.54 ATOM 604 HG1 GLU 37 11.752 -55.397 1.301 1.00 37.49 ATOM 605 HG2 GLU 37 10.363 -56.430 1.609 1.00 65.20 ATOM 606 CD GLU 37 11.970 -56.704 2.965 1.00 5.13 ATOM 607 OE1 GLU 37 11.667 -56.785 4.174 1.00 53.13 ATOM 608 OE2 GLU 37 12.934 -57.316 2.458 1.00 32.34 ATOM 609 C GLU 37 8.704 -52.901 2.865 1.00 20.54 ATOM 610 O GLU 37 7.530 -53.108 3.172 1.00 32.14 ATOM 611 N PHE 38 9.380 -51.833 3.272 1.00 5.55 ATOM 612 HN PHE 38 10.318 -51.719 2.992 1.00 37.49 ATOM 613 CA PHE 38 8.768 -50.819 4.123 1.00 3.33 ATOM 614 HA PHE 38 8.355 -51.311 4.994 1.00 5.03 ATOM 615 CB PHE 38 9.820 -49.807 4.585 1.00 34.41 ATOM 616 HB1 PHE 38 10.289 -49.400 3.707 1.00 37.49 ATOM 617 HB2 PHE 38 10.567 -50.318 5.179 1.00 51.33 ATOM 618 CG PHE 38 9.249 -48.676 5.392 1.00 24.32 ATOM 619 CD1 PHE 38 8.755 -47.542 4.768 1.00 64.41 ATOM 620 HD1 PHE 38 8.781 -47.473 3.692 1.00 12.21 ATOM 621 CD2 PHE 38 9.208 -48.747 6.775 1.00 10.24 ATOM 622 HD2 PHE 38 9.589 -49.626 7.277 1.00 14.43 ATOM 623 CE1 PHE 38 8.230 -46.500 5.508 1.00 54.24 ATOM 624 HE1 PHE 38 7.849 -45.621 5.009 1.00 74.50 ATOM 625 CE2 PHE 38 8.683 -47.708 7.520 1.00 1.42 ATOM 626 HE2 PHE 38 8.657 -47.776 8.598 1.00 70.43 ATOM 627 CZ PHE 38 8.194 -46.582 6.886 1.00 65.33 ATOM 628 HZ PHE 38 7.777 -45.776 7.459 1.00 34.34 ATOM 629 C PHE 38 7.642 -50.099 3.387 1.00 3.42 ATOM 630 O PHE 38 6.578 -49.844 3.953 1.00 3.31 ATOM 631 N LEU 39 7.884 -49.772 2.122 1.00 24.54 ATOM 632 HN LEU 39 8.758 -49.994 1.722 1.00 37.49 ATOM 633 CA LEU 39 6.892 -49.081 1.307 1.00 12.21 ATOM 634 HA LEU 39 6.554 -48.211 1.847 1.00 25.15 ATOM 635 CB LEU 39 7.509 -48.646 -0.023 1.00 42.31 ATOM 636 HB1 LEU 39 6.731 -48.260 -0.654 1.00 37.49 ATOM 637 HB2 LEU 39 7.923 -49.524 -0.499 1.00 45.45 ATOM 638 CG LEU 39 8.613 -47.591 0.062 1.00 14.43 ATOM 639 HG LEU 39 9.468 -48.014 0.570 1.00 41.23 ATOM 640 CD1 LEU 39 9.056 -47.168 -1.330 1.00 23.53 ATOM 641 HD11 LEU 39 9.762 -46.360 -1.249 1.00 73.44 ATOM 642 HD12 LEU 39 8.199 -46.843 -1.903 1.00 11.13 ATOM 643 HD13 LEU 39 9.524 -48.005 -1.827 1.00 15.53 ATOM 644 CD2 LEU 39 8.138 -46.386 0.861 1.00 15.40 ATOM 645 HD21 LEU 39 7.221 -46.002 0.435 1.00 1.30 ATOM 646 HD22 LEU 39 8.894 -45.612 0.834 1.00 12.20 ATOM 647 HD23 LEU 39 7.968 -46.668 1.885 1.00 13.21 ATOM 648 C LEU 39 5.681 -49.972 1.051 1.00 34.04 ATOM 649 O LEU 39 4.550 -49.609 1.377 1.00 43.41 ATOM 650 N ASP 40 5.925 -51.141 0.469 1.00 40.53 ATOM 651 HN ASP 40 6.854 -51.375 0.229 1.00 37.49 ATOM 652 CA ASP 40 4.855 -52.086 0.172 1.00 11.22 ATOM 653 HA ASP 40 4.209 -51.633 -0.568 1.00 71.30 ATOM 654 CB ASP 40 5.434 -53.382 -0.397 1.00 74.10 ATOM 655 HB1 ASP 40 6.032 -53.874 0.359 1.00 37.49 ATOM 656 HB2 ASP 40 6.061 -53.144 -1.244 1.00 30.40 ATOM 657 CG ASP 40 4.356 -54.342 -0.861 1.00 62.33 ATOM 658 OD1 ASP 40 4.577 -55.568 -0.775 1.00 64.14 ATOM 659 OD2 ASP 40 3.292 -53.868 -1.312 1.00 0.15 ATOM 660 C ASP 40 4.034 -52.386 1.422 1.00 33.51 ATOM 661 O ASP 40 2.806 -52.293 1.408 1.00 62.12 ATOM 662 N ASP 41 4.719 -52.749 2.501 1.00 41.41 ATOM 663 HN ASP 41 5.704 -52.807 2.450 1.00 37.49 ATOM 664 CA ASP 41 4.053 -53.063 3.760 1.00 64.33 ATOM 665 HA ASP 41 3.339 -53.856 3.576 1.00 35.15 ATOM 666 CB ASP 41 5.074 -53.535 4.797 1.00 73.22 ATOM 667 HB1 ASP 41 4.600 -53.590 5.770 1.00 37.49 ATOM 668 HB2 ASP 41 5.886 -52.830 4.845 1.00 2.10 ATOM 669 CG ASP 41 5.634 -54.907 4.476 1.00 55.03 ATOM 670 OD1 ASP 41 6.777 -55.192 4.888 1.00 42.11 ATOM 671 OD2 ASP 41 4.928 -55.695 3.811 1.00 23.45 ATOM 672 C ASP 41 3.293 -51.852 4.290 1.00 4.33 ATOM 673 O ASP 41 2.194 -51.983 4.831 1.00 42.33 ATOM 674 N LEU 42 3.886 -50.673 4.134 1.00 70.13 ATOM 675 HN LEU 42 4.775 -50.627 3.708 1.00 37.49 ATOM 676 CA LEU 42 3.266 -49.437 4.598 1.00 75.11 ATOM 677 HA LEU 42 3.106 -49.520 5.665 1.00 31.12 ATOM 678 CB LEU 42 4.189 -48.248 4.330 1.00 3.31 ATOM 679 HB1 LEU 42 4.455 -48.270 3.287 1.00 37.49 ATOM 680 HB2 LEU 42 5.089 -48.390 4.910 1.00 14.33 ATOM 681 CG LEU 42 3.619 -46.868 4.659 1.00 3.43 ATOM 682 HG LEU 42 2.575 -46.830 4.416 1.00 42.21 ATOM 683 CD1 LEU 42 3.753 -46.575 6.146 1.00 62.52 ATOM 684 HD11 LEU 42 4.797 -46.477 6.410 1.00 75.54 ATOM 685 HD12 LEU 42 3.313 -47.382 6.717 1.00 32.11 ATOM 686 HD13 LEU 42 3.235 -45.659 6.377 1.00 31.10 ATOM 687 CD2 LEU 42 4.316 -45.793 3.838 1.00 42.22 ATOM 688 HD21 LEU 42 4.187 -46.001 2.785 1.00 45.11 ATOM 689 HD22 LEU 42 5.371 -45.779 4.074 1.00 13.24 ATOM 690 HD23 LEU 42 3.885 -44.827 4.065 1.00 64.45 ATOM 691 C LEU 42 1.920 -49.214 3.916 1.00 54.11 ATOM 692 O LEU 42 0.915 -48.942 4.575 1.00 64.34 ATOM 693 N PHE 43 1.906 -49.332 2.592 1.00 31.34 ATOM 694 HN PHE 43 2.740 -49.580 2.128 1.00 37.49 ATOM 695 CA PHE 43 0.683 -49.145 1.821 1.00 51.24 ATOM 696 HA PHE 43 0.283 -48.173 2.046 1.00 13.04 ATOM 697 CB PHE 43 0.985 -49.212 0.322 1.00 32.21 ATOM 698 HB1 PHE 43 0.133 -48.832 -0.223 1.00 37.49 ATOM 699 HB2 PHE 43 1.154 -50.245 0.037 1.00 4.13 ATOM 700 CG PHE 43 2.187 -48.408 -0.084 1.00 32.31 ATOM 701 CD1 PHE 43 2.421 -47.160 0.470 1.00 51.13 ATOM 702 HD1 PHE 43 1.746 -46.766 1.207 1.00 75.52 ATOM 703 CD2 PHE 43 3.083 -48.901 -1.019 1.00 32.22 ATOM 704 HD2 PHE 43 2.914 -49.874 -1.461 1.00 71.21 ATOM 705 CE1 PHE 43 3.526 -46.418 0.097 1.00 13.21 ATOM 706 HE1 PHE 43 3.697 -45.446 0.536 1.00 23.42 ATOM 707 CE2 PHE 43 4.190 -48.164 -1.395 1.00 13.20 ATOM 708 HE2 PHE 43 4.869 -48.553 -2.117 1.00 64.34 ATOM 709 CZ PHE 43 4.412 -46.921 -0.835 1.00 51.24 ATOM 710 HZ PHE 43 5.276 -46.342 -1.128 1.00 55.24 ATOM 711 C PHE 43 -0.359 -50.197 2.189 1.00 53.22 ATOM 712 O PHE 43 -1.510 -49.871 2.479 1.00 53.03 ATOM 713 N SER 44 0.053 -51.460 2.174 1.00 23.31 ATOM 714 HN SER 44 0.990 -51.659 1.934 1.00 37.49 ATOM 715 CA SER 44 -0.845 -52.561 2.502 1.00 63.51 ATOM 716 HA SER 44 -1.687 -52.524 1.823 1.00 50.13 ATOM 717 CB SER 44 -0.128 -53.902 2.325 1.00 11.42 ATOM 718 HB1 SER 44 -0.566 -54.650 2.977 1.00 37.49 ATOM 719 HB2 SER 44 0.919 -53.790 2.569 1.00 1.24 ATOM 720 OG SER 44 -0.233 -54.364 0.990 1.00 52.12 ATOM 721 HG SER 44 -1.093 -54.772 0.855 1.00 21.13 ATOM 722 C SER 44 -1.362 -52.433 3.931 1.00 34.23 ATOM 723 O SER 44 -2.465 -52.881 4.247 1.00 51.31 ATOM 724 N PHE 45 -0.558 -51.819 4.792 1.00 1.23 ATOM 725 HN PHE 45 0.324 -51.497 4.497 1.00 37.49 ATOM 726 CA PHE 45 -0.933 -51.632 6.189 1.00 1.31 ATOM 727 HA PHE 45 -1.305 -52.574 6.572 1.00 50.15 ATOM 728 CB PHE 45 0.286 -51.217 7.015 1.00 3.32 ATOM 729 HB1 PHE 45 0.831 -50.452 6.481 1.00 37.49 ATOM 730 HB2 PHE 45 0.930 -52.078 7.140 1.00 44.21 ATOM 731 CG PHE 45 -0.064 -50.693 8.379 1.00 43.23 ATOM 732 CD1 PHE 45 -0.424 -51.560 9.397 1.00 21.52 ATOM 733 HD1 PHE 45 -0.453 -52.624 9.207 1.00 43.21 ATOM 734 CD2 PHE 45 -0.032 -49.333 8.642 1.00 0.00 ATOM 735 HD2 PHE 45 0.247 -48.643 7.857 1.00 53.03 ATOM 736 CE1 PHE 45 -0.747 -51.081 10.652 1.00 12.24 ATOM 737 HE1 PHE 45 -1.029 -51.773 11.409 1.00 23.30 ATOM 738 CE2 PHE 45 -0.354 -48.847 9.896 1.00 62.54 ATOM 739 HE2 PHE 45 -0.328 -47.801 10.069 1.00 33.12 ATOM 740 CZ PHE 45 -0.711 -49.723 10.902 1.00 1.23 ATOM 741 HZ PHE 45 -0.976 -49.343 11.867 1.00 13.30 ATOM 742 C PHE 45 -2.032 -50.582 6.321 1.00 12.31 ATOM 743 O PHE 45 -3.116 -50.863 6.832 1.00 61.45 ATOM 744 N MET 46 -1.743 -49.370 5.858 1.00 75.02 ATOM 745 HN MET 46 -0.842 -49.206 5.497 1.00 37.49 ATOM 746 CA MET 46 -2.707 -48.278 5.923 1.00 13.44 ATOM 747 HA MET 46 -3.002 -48.150 6.956 1.00 74.45 ATOM 748 CB MET 46 -2.071 -46.977 5.429 1.00 22.13 ATOM 749 HB1 MET 46 -1.288 -46.713 6.126 1.00 37.49 ATOM 750 HB2 MET 46 -2.800 -46.196 5.427 1.00 11.22 ATOM 751 CG MET 46 -1.468 -47.086 4.038 1.00 11.30 ATOM 752 HG1 MET 46 -2.226 -46.871 3.309 1.00 37.49 ATOM 753 HG2 MET 46 -1.100 -48.072 3.869 1.00 33.52 ATOM 754 SD MET 46 -0.097 -45.942 3.784 1.00 75.24 ATOM 755 CE MET 46 -0.900 -44.374 4.107 1.00 74.14 ATOM 756 HE1 MET 46 -0.865 -44.159 5.160 1.00 71.31 ATOM 757 HE2 MET 46 -1.924 -44.418 3.786 1.00 62.24 ATOM 758 HE3 MET 46 -0.404 -43.610 3.565 1.00 63.01 ATOM 759 C MET 46 -3.948 -48.597 5.095 1.00 0.33 ATOM 760 O MET 46 -5.075 -48.411 5.554 1.00 62.23 ATOM 761 N GLN 47 -3.732 -49.077 3.875 1.00 51.32 ATOM 762 HN GLN 47 -2.816 -49.246 3.572 1.00 37.49 ATOM 763 CA GLN 47 -4.834 -49.420 2.984 1.00 61.14 ATOM 764 HA GLN 47 -5.342 -48.508 2.716 1.00 64.54 ATOM 765 CB GLN 47 -4.302 -50.084 1.713 1.00 64.34 ATOM 766 HB1 GLN 47 -3.616 -50.867 2.000 1.00 37.49 ATOM 767 HB2 GLN 47 -3.765 -49.348 1.134 1.00 4.02 ATOM 768 CG GLN 47 -5.387 -50.715 0.856 1.00 60.44 ATOM 769 HG1 GLN 47 -6.324 -50.192 1.015 1.00 37.49 ATOM 770 HG2 GLN 47 -5.502 -51.747 1.150 1.00 43.21 ATOM 771 CD GLN 47 -5.061 -50.673 -0.624 1.00 44.22 ATOM 772 OE1 GLN 47 -3.905 -50.824 -1.021 1.00 41.34 ATOM 773 NE2 GLN 47 -6.080 -50.467 -1.450 1.00 11.32 ATOM 774 HE21 GLN 47 -6.984 -50.353 -1.078 1.00 4.20 ATOM 775 HE22 GLN 47 -5.888 -50.437 -2.411 1.00 42.32 ATOM 776 C GLN 47 -5.827 -50.346 3.678 1.00 71.22 ATOM 777 O GLN 47 -7.027 -50.303 3.406 1.00 12.35 ATOM 778 N LYS 48 -5.319 -51.185 4.575 1.00 52.42 ATOM 779 HN LYS 48 -4.347 -51.208 4.731 1.00 37.49 ATOM 780 CA LYS 48 -6.161 -52.122 5.310 1.00 42.54 ATOM 781 HA LYS 48 -6.869 -52.564 4.617 1.00 44.31 ATOM 782 CB LYS 48 -5.306 -53.231 5.926 1.00 32.30 ATOM 783 HB1 LYS 48 -5.844 -53.686 6.750 1.00 37.49 ATOM 784 HB2 LYS 48 -4.396 -52.797 6.308 1.00 33.12 ATOM 785 CG LYS 48 -4.947 -54.336 4.948 1.00 65.40 ATOM 786 HG1 LYS 48 -4.686 -53.893 3.993 1.00 37.49 ATOM 787 HG2 LYS 48 -5.805 -54.980 4.823 1.00 32.33 ATOM 788 CD LYS 48 -3.779 -55.169 5.452 1.00 54.23 ATOM 789 HD1 LYS 48 -4.139 -55.838 6.220 1.00 37.49 ATOM 790 HD2 LYS 48 -3.017 -54.525 5.868 1.00 74.31 ATOM 791 CE LYS 48 -3.164 -55.998 4.335 1.00 23.44 ATOM 792 HE1 LYS 48 -2.373 -56.605 4.750 1.00 37.49 ATOM 793 HE2 LYS 48 -2.752 -55.331 3.591 1.00 21.14 ATOM 794 NZ LYS 48 -4.167 -56.887 3.686 1.00 13.42 ATOM 795 HZ1 LYS 48 -4.676 -57.450 4.401 1.00 2.33 ATOM 796 HZ2 LYS 48 -3.688 -57.539 3.033 1.00 2.44 ATOM 797 HZ3 LYS 48 -4.855 -56.326 3.145 1.00 75.53 ATOM 798 C LYS 48 -6.947 -51.405 6.402 1.00 14.24 ATOM 799 O LYS 48 -8.073 -51.787 6.722 1.00 53.21 ATOM 800 N ARG 49 -6.348 -50.364 6.971 1.00 41.33 ATOM 801 HN ARG 49 -5.440 -50.116 6.697 1.00 37.49 ATOM 802 CA ARG 49 -6.993 -49.594 8.027 1.00 11.23 ATOM 803 HA ARG 49 -7.481 -50.283 8.706 1.00 24.15 ATOM 804 CB ARG 49 -5.952 -48.793 8.813 1.00 73.54 ATOM 805 HB1 ARG 49 -4.971 -49.223 8.650 1.00 37.49 ATOM 806 HB2 ARG 49 -6.193 -48.865 9.864 1.00 32.33 ATOM 807 CG ARG 49 -5.907 -47.321 8.438 1.00 22.12 ATOM 808 HG1 ARG 49 -6.818 -46.842 8.761 1.00 37.49 ATOM 809 HG2 ARG 49 -5.812 -47.240 7.383 1.00 3.52 ATOM 810 CD ARG 49 -4.733 -46.614 9.098 1.00 33.44 ATOM 811 HD1 ARG 49 -4.855 -45.546 9.000 1.00 37.49 ATOM 812 HD2 ARG 49 -3.827 -46.914 8.593 1.00 70.23 ATOM 813 NE ARG 49 -4.613 -46.958 10.513 1.00 62.03 ATOM 814 HE ARG 49 -3.901 -47.583 10.765 1.00 51.41 ATOM 815 CZ ARG 49 -5.419 -46.483 11.456 1.00 71.24 ATOM 816 NH1 ARG 49 -6.399 -45.650 11.136 1.00 13.43 ATOM 817 HH11 ARG 49 -6.555 -45.356 10.200 1.00 2.24 ATOM 818 HH12 ARG 49 -7.004 -45.304 11.856 1.00 22.51 ATOM 819 NH2 ARG 49 -5.246 -46.843 12.721 1.00 1.31 ATOM 820 HH21 ARG 49 -4.508 -47.474 12.969 1.00 71.23 ATOM 821 HH22 ARG 49 -5.853 -46.486 13.434 1.00 41.11 ATOM 822 C ARG 49 -8.045 -48.651 7.449 1.00 65.42 ATOM 823 O ARG 49 -8.887 -48.124 8.174 1.00 20.41 ATOM 824 N GLY 50 -7.988 -48.444 6.137 1.00 41.44 ATOM 825 HN GLY 50 -7.297 -48.867 5.591 1.00 37.49 ATOM 826 CA GLY 50 -8.940 -47.565 5.483 1.00 2.51 ATOM 827 HA1 GLY 50 -9.765 -47.330 6.144 1.00 37.49 ATOM 828 HA2 GLY 50 -9.334 -48.078 4.618 1.00 44.33 ATOM 829 C GLY 50 -8.307 -46.268 5.018 1.00 12.23 ATOM 830 O GLY 50 -8.920 -45.203 5.103 1.00 74.14 ATOM 831 N THR 51 -7.075 -46.355 4.527 1.00 2.01 ATOM 832 HN THR 51 -6.632 -47.232 4.470 1.00 37.49 ATOM 833 CA THR 51 -6.357 -45.180 4.050 1.00 13.40 ATOM 834 HA THR 51 -7.033 -44.576 3.458 1.00 74.02 ATOM 835 CB THR 51 -5.866 -44.308 5.221 1.00 43.10 ATOM 836 HB THR 51 -6.728 -43.906 5.735 1.00 52.43 ATOM 837 OG1 THR 51 -5.069 -43.226 4.726 1.00 65.44 ATOM 838 HG1 THR 51 -5.088 -42.498 5.352 1.00 72.20 ATOM 839 CG2 THR 51 -5.053 -45.134 6.206 1.00 2.25 ATOM 840 HG21 THR 51 -4.937 -46.145 5.870 1.00 44.54 ATOM 841 HG22 THR 51 -5.569 -45.115 7.137 1.00 53.42 ATOM 842 HG23 THR 51 -4.078 -44.685 6.337 1.00 44.15 ATOM 843 C THR 51 -5.163 -45.576 3.190 1.00 23.12 ATOM 844 O THR 51 -4.007 -45.448 3.594 1.00 23.10 ATOM 845 N PRO 52 -5.445 -46.069 1.975 1.00 2.00 ATOM 846 CA PRO 52 -4.406 -46.493 1.032 1.00 62.20 ATOM 847 HA PRO 52 -3.727 -47.201 1.483 1.00 71.13 ATOM 848 CB PRO 52 -5.198 -47.177 -0.085 1.00 52.42 ATOM 849 HB1 PRO 52 -5.258 -48.210 0.111 1.00 37.49 ATOM 850 HB2 PRO 52 -4.739 -47.023 -1.051 1.00 70.32 ATOM 851 CG PRO 52 -6.552 -46.557 -0.023 1.00 23.31 ATOM 852 HG1 PRO 52 -7.292 -47.253 -0.390 1.00 37.49 ATOM 853 HG2 PRO 52 -6.567 -45.648 -0.607 1.00 4.31 ATOM 854 CD PRO 52 -6.800 -46.250 1.428 1.00 40.51 ATOM 855 HD1 PRO 52 -7.304 -47.076 1.908 1.00 37.49 ATOM 856 HD2 PRO 52 -7.382 -45.346 1.518 1.00 70.13 ATOM 857 C PRO 52 -3.610 -45.316 0.478 1.00 75.13 ATOM 858 O PRO 52 -3.780 -44.178 0.915 1.00 34.03 ATOM 859 N VAL 53 -2.742 -45.597 -0.488 1.00 62.24 ATOM 860 HN VAL 53 -2.633 -46.525 -0.797 1.00 37.49 ATOM 861 CA VAL 53 -1.921 -44.561 -1.104 1.00 31.11 ATOM 862 HA VAL 53 -2.116 -43.610 -0.614 1.00 32.20 ATOM 863 CB VAL 53 -0.420 -44.867 -0.947 1.00 2.04 ATOM 864 HB VAL 53 -0.209 -45.812 -1.429 1.00 63.32 ATOM 865 CG1 VAL 53 0.418 -43.792 -1.622 1.00 70.12 ATOM 866 HG11 VAL 53 1.458 -43.911 -1.344 1.00 44.03 ATOM 867 HG12 VAL 53 0.083 -42.816 -1.324 1.00 44.01 ATOM 868 HG13 VAL 53 0.336 -43.886 -2.694 1.00 1.41 ATOM 869 CG2 VAL 53 -0.054 -44.994 0.524 1.00 4.04 ATOM 870 HG21 VAL 53 -0.640 -44.312 1.115 1.00 71.31 ATOM 871 HG22 VAL 53 0.998 -44.785 0.672 1.00 21.20 ATOM 872 HG23 VAL 53 -0.262 -46.003 0.845 1.00 14.24 ATOM 873 C VAL 53 -2.246 -44.411 -2.586 1.00 25.21 ATOM 874 O VAL 53 -1.703 -45.128 -3.426 1.00 1.31 ATOM 875 N ASN 54 -3.134 -43.474 -2.900 1.00 33.13 ATOM 876 HN ASN 54 -3.527 -42.921 -2.182 1.00 37.49 ATOM 877 CA ASN 54 -3.532 -43.230 -4.281 1.00 43.45 ATOM 878 HA ASN 54 -3.678 -44.189 -4.767 1.00 53.12 ATOM 879 CB ASN 54 -4.847 -42.449 -4.325 1.00 70.33 ATOM 880 HB1 ASN 54 -4.683 -41.445 -3.954 1.00 37.49 ATOM 881 HB2 ASN 54 -5.568 -42.945 -3.692 1.00 4.33 ATOM 882 CG ASN 54 -5.424 -42.366 -5.725 1.00 62.44 ATOM 883 OD1 ASN 54 -5.199 -43.248 -6.554 1.00 71.44 ATOM 884 ND2 ASN 54 -6.172 -41.303 -5.995 1.00 44.20 ATOM 885 HD21 ASN 54 -6.318 -40.629 -5.293 1.00 24.13 ATOM 886 HD22 ASN 54 -6.554 -41.231 -6.895 1.00 65.34 ATOM 887 C ASN 54 -2.447 -42.462 -5.032 1.00 31.52 ATOM 888 O ASN 54 -2.050 -42.846 -6.132 1.00 41.22 ATOM 889 N ARG 55 -1.972 -41.378 -4.428 1.00 52.24 ATOM 890 HN ARG 55 -2.336 -41.107 -3.552 1.00 37.49 ATOM 891 CA ARG 55 -0.934 -40.556 -5.039 1.00 71.43 ATOM 892 HA ARG 55 -0.451 -41.118 -5.829 1.00 0.04 ATOM 893 CB ARG 55 -1.545 -39.292 -5.645 1.00 54.32 ATOM 894 HB1 ARG 55 -0.770 -38.752 -6.174 1.00 37.49 ATOM 895 HB2 ARG 55 -1.928 -38.668 -4.847 1.00 24.41 ATOM 896 CG ARG 55 -2.683 -39.569 -6.615 1.00 23.14 ATOM 897 HG1 ARG 55 -3.496 -40.035 -6.077 1.00 37.49 ATOM 898 HG2 ARG 55 -2.332 -40.235 -7.390 1.00 42.13 ATOM 899 CD ARG 55 -3.188 -38.289 -7.261 1.00 72.03 ATOM 900 HD1 ARG 55 -2.388 -37.856 -7.846 1.00 37.49 ATOM 901 HD2 ARG 55 -3.482 -37.595 -6.484 1.00 55.34 ATOM 902 NE ARG 55 -4.336 -38.532 -8.132 1.00 4.43 ATOM 903 HE ARG 55 -4.671 -39.456 -8.209 1.00 43.32 ATOM 904 CZ ARG 55 -4.950 -37.577 -8.822 1.00 5.24 ATOM 905 NH1 ARG 55 -4.528 -36.322 -8.743 1.00 61.33 ATOM 906 HH11 ARG 55 -3.749 -36.071 -8.170 1.00 44.12 ATOM 907 HH12 ARG 55 -4.997 -35.607 -9.267 1.00 32.31 ATOM 908 NH2 ARG 55 -5.987 -37.876 -9.592 1.00 73.33 ATOM 909 HH21 ARG 55 -6.311 -38.822 -9.656 1.00 61.10 ATOM 910 HH22 ARG 55 -6.452 -37.157 -10.113 1.00 23.30 ATOM 911 C ARG 55 0.133 -40.179 -4.016 1.00 12.41 ATOM 912 O ARG 55 -0.059 -40.352 -2.812 1.00 12.10 ATOM 913 N ILE 56 1.256 -39.663 -4.503 1.00 42.31 ATOM 914 HN ILE 56 1.358 -39.542 -5.475 1.00 37.49 ATOM 915 CA ILE 56 2.353 -39.260 -3.631 1.00 34.30 ATOM 916 HA ILE 56 2.119 -39.594 -2.631 1.00 23.45 ATOM 917 CB ILE 56 3.675 -39.933 -4.043 1.00 4.03 ATOM 918 HB ILE 56 3.925 -39.603 -5.044 1.00 21.32 ATOM 919 CG1 ILE 56 3.522 -41.455 -4.038 1.00 72.31 ATOM 920 HG11 ILE 56 2.582 -41.733 -4.496 1.00 37.49 ATOM 921 HG12 ILE 56 3.534 -41.821 -3.021 1.00 10.34 ATOM 922 CG2 ILE 56 4.799 -39.506 -3.111 1.00 4.33 ATOM 923 HG21 ILE 56 5.722 -39.959 -3.437 1.00 44.23 ATOM 924 HG22 ILE 56 4.587 -39.838 -2.108 1.00 13.23 ATOM 925 HG23 ILE 56 4.917 -38.433 -3.120 1.00 51.11 ATOM 926 CD1 ILE 56 4.613 -42.175 -4.800 1.00 11.04 ATOM 927 HD11 ILE 56 5.581 -41.797 -4.518 1.00 35.54 ATOM 928 HD12 ILE 56 4.456 -41.996 -5.845 1.00 1.13 ATOM 929 HD13 ILE 56 4.558 -43.235 -4.602 1.00 51.34 ATOM 930 C ILE 56 2.539 -37.747 -3.645 1.00 11.12 ATOM 931 O ILE 56 2.565 -37.109 -4.698 1.00 32.33 ATOM 932 N PRO 57 2.674 -37.156 -2.448 1.00 70.50 ATOM 933 CA PRO 57 2.863 -35.711 -2.295 1.00 41.24 ATOM 934 HA PRO 57 2.083 -35.158 -2.802 1.00 51.30 ATOM 935 CB PRO 57 2.736 -35.494 -0.785 1.00 40.15 ATOM 936 HB1 PRO 57 1.714 -35.248 -0.560 1.00 37.49 ATOM 937 HB2 PRO 57 3.385 -34.694 -0.450 1.00 3.32 ATOM 938 CG PRO 57 3.114 -36.802 -0.182 1.00 21.33 ATOM 939 HG1 PRO 57 2.617 -36.925 0.769 1.00 37.49 ATOM 940 HG2 PRO 57 4.186 -36.852 -0.056 1.00 12.52 ATOM 941 CD PRO 57 2.653 -37.855 -1.152 1.00 0.33 ATOM 942 HD1 PRO 57 1.654 -38.177 -0.911 1.00 37.49 ATOM 943 HD2 PRO 57 3.325 -38.683 -1.129 1.00 54.54 ATOM 944 C PRO 57 4.231 -35.250 -2.786 1.00 62.15 ATOM 945 O PRO 57 5.263 -35.657 -2.251 1.00 35.30 ATOM 946 N ILE 58 4.233 -34.399 -3.807 1.00 74.31 ATOM 947 HN ILE 58 3.376 -34.096 -4.191 1.00 37.49 ATOM 948 CA ILE 58 5.475 -33.883 -4.368 1.00 54.44 ATOM 949 HA ILE 58 6.260 -34.615 -4.201 1.00 72.35 ATOM 950 CB ILE 58 5.354 -33.654 -5.887 1.00 11.23 ATOM 951 HB ILE 58 4.572 -32.935 -6.061 1.00 12.00 ATOM 952 CG1 ILE 58 4.986 -34.960 -6.594 1.00 0.04 ATOM 953 HG11 ILE 58 4.863 -34.764 -7.647 1.00 37.49 ATOM 954 HG12 ILE 58 4.056 -35.338 -6.196 1.00 13.34 ATOM 955 CG2 ILE 58 6.654 -33.092 -6.443 1.00 31.23 ATOM 956 HG21 ILE 58 7.463 -33.254 -5.758 1.00 71.22 ATOM 957 HG22 ILE 58 6.539 -32.031 -6.602 1.00 63.53 ATOM 958 HG23 ILE 58 6.898 -33.562 -7.387 1.00 23.41 ATOM 959 CD1 ILE 58 6.032 -36.043 -6.444 1.00 55.05 ATOM 960 HD11 ILE 58 5.794 -36.858 -7.112 1.00 41.10 ATOM 961 HD12 ILE 58 6.019 -36.407 -5.430 1.00 1.31 ATOM 962 HD13 ILE 58 7.015 -35.664 -6.682 1.00 43.50 ATOM 963 C ILE 58 5.878 -32.573 -3.699 1.00 34.22 ATOM 964 O ILE 58 5.134 -31.593 -3.732 1.00 21.14 ATOM 965 N MET 59 7.061 -32.564 -3.093 1.00 73.24 ATOM 966 HN MET 59 7.622 -33.373 -3.096 1.00 37.49 ATOM 967 CA MET 59 7.564 -31.374 -2.418 1.00 43.45 ATOM 968 HA MET 59 6.818 -30.588 -2.486 1.00 70.41 ATOM 969 CB MET 59 7.819 -31.669 -0.939 1.00 72.11 ATOM 970 HB1 MET 59 8.680 -32.321 -0.854 1.00 37.49 ATOM 971 HB2 MET 59 6.961 -32.191 -0.535 1.00 22.12 ATOM 972 CG MET 59 8.089 -30.425 -0.109 1.00 11.04 ATOM 973 HG1 MET 59 8.552 -29.662 -0.711 1.00 37.49 ATOM 974 HG2 MET 59 8.771 -30.695 0.682 1.00 2.32 ATOM 975 SD MET 59 6.590 -29.739 0.623 1.00 62.40 ATOM 976 CE MET 59 6.858 -30.111 2.355 1.00 62.15 ATOM 977 HE1 MET 59 7.053 -31.167 2.469 1.00 64.51 ATOM 978 HE2 MET 59 5.988 -29.847 2.922 1.00 31.24 ATOM 979 HE3 MET 59 7.706 -29.549 2.716 1.00 72.52 ATOM 980 C MET 59 8.847 -30.877 -3.078 1.00 11.53 ATOM 981 O MET 59 9.676 -31.671 -3.521 1.00 1.34 ATOM 982 N ALA 60 9.003 -29.558 -3.139 1.00 72.23 ATOM 983 HN ALA 60 8.308 -28.964 -2.776 1.00 37.49 ATOM 984 CA ALA 60 10.185 -28.956 -3.743 1.00 21.11 ATOM 985 HA ALA 60 10.040 -27.886 -3.765 1.00 64.44 ATOM 986 CB ALA 60 11.416 -29.250 -2.899 1.00 3.45 ATOM 987 HB1 ALA 60 12.283 -28.810 -3.366 1.00 41.20 ATOM 988 HB2 ALA 60 11.557 -30.317 -2.816 1.00 22.14 ATOM 989 HB3 ALA 60 11.283 -28.832 -1.922 1.00 2.54 ATOM 990 C ALA 60 10.388 -29.456 -5.169 1.00 41.33 ATOM 991 O ALA 60 11.520 -29.597 -5.634 1.00 14.12 ATOM 992 N LYS 61 9.285 -29.723 -5.860 1.00 41.12 ATOM 993 HN LYS 61 8.400 -29.574 -5.461 1.00 37.49 ATOM 994 CA LYS 61 9.341 -30.207 -7.235 1.00 10.44 ATOM 995 HA LYS 61 8.328 -30.279 -7.603 1.00 53.41 ATOM 996 CB LYS 61 10.120 -29.224 -8.112 1.00 0.13 ATOM 997 HB1 LYS 61 9.938 -29.470 -9.149 1.00 37.49 ATOM 998 HB2 LYS 61 11.179 -29.316 -7.918 1.00 33.05 ATOM 999 CG LYS 61 9.728 -27.773 -7.895 1.00 54.43 ATOM 1000 HG1 LYS 61 10.347 -27.168 -8.542 1.00 37.49 ATOM 1001 HG2 LYS 61 9.912 -27.494 -6.871 1.00 31.13 ATOM 1002 CD LYS 61 8.261 -27.538 -8.217 1.00 2.53 ATOM 1003 HD1 LYS 61 7.699 -27.556 -7.294 1.00 37.49 ATOM 1004 HD2 LYS 61 7.897 -28.321 -8.873 1.00 35.25 ATOM 1005 CE LYS 61 8.050 -26.199 -8.908 1.00 33.21 ATOM 1006 HE1 LYS 61 7.557 -26.378 -9.852 1.00 37.49 ATOM 1007 HE2 LYS 61 8.997 -25.710 -9.093 1.00 71.22 ATOM 1008 NZ LYS 61 7.198 -25.285 -8.098 1.00 3.15 ATOM 1009 HZ1 LYS 61 7.643 -25.098 -7.175 1.00 70.43 ATOM 1010 HZ2 LYS 61 6.261 -25.709 -7.939 1.00 15.05 ATOM 1011 HZ3 LYS 61 7.073 -24.381 -8.598 1.00 44.10 ATOM 1012 C LYS 61 9.988 -31.586 -7.300 1.00 25.20 ATOM 1013 O LYS 61 10.487 -31.998 -8.347 1.00 4.21 ATOM 1014 N GLN 62 9.975 -32.295 -6.176 1.00 21.12 ATOM 1015 HN GLN 62 9.533 -31.949 -5.380 1.00 37.49 ATOM 1016 CA GLN 62 10.561 -33.629 -6.107 1.00 53.41 ATOM 1017 HA GLN 62 10.577 -34.057 -7.104 1.00 1.30 ATOM 1018 CB GLN 62 11.997 -33.552 -5.587 1.00 0.34 ATOM 1019 HB1 GLN 62 12.410 -32.580 -5.832 1.00 37.49 ATOM 1020 HB2 GLN 62 12.582 -34.313 -6.083 1.00 71.55 ATOM 1021 CG GLN 62 12.113 -33.770 -4.087 1.00 21.33 ATOM 1022 HG1 GLN 62 12.014 -34.827 -3.879 1.00 37.49 ATOM 1023 HG2 GLN 62 11.332 -33.232 -3.580 1.00 15.12 ATOM 1024 CD GLN 62 13.436 -33.286 -3.527 1.00 40.20 ATOM 1025 OE1 GLN 62 13.704 -32.085 -3.487 1.00 52.41 ATOM 1026 NE2 GLN 62 14.272 -34.220 -3.091 1.00 23.45 ATOM 1027 HE21 GLN 62 14.009 -35.166 -3.146 1.00 2.01 ATOM 1028 HE22 GLN 62 15.132 -33.925 -2.725 1.00 14.34 ATOM 1029 C GLN 62 9.731 -34.542 -5.211 1.00 72.22 ATOM 1030 O GLN 62 9.088 -34.085 -4.266 1.00 3.02 ATOM 1031 N VAL 63 9.749 -35.836 -5.515 1.00 33.21 ATOM 1032 HN VAL 63 10.260 -36.131 -6.304 1.00 37.49 ATOM 1033 CA VAL 63 8.998 -36.815 -4.737 1.00 4.53 ATOM 1034 HA VAL 63 7.963 -36.539 -4.769 1.00 65.32 ATOM 1035 CB VAL 63 9.143 -38.230 -5.326 1.00 30.33 ATOM 1036 HB VAL 63 8.767 -38.216 -6.338 1.00 21.52 ATOM 1037 CG1 VAL 63 10.606 -38.644 -5.368 1.00 60.41 ATOM 1038 HG11 VAL 63 10.990 -38.766 -4.367 1.00 34.02 ATOM 1039 HG12 VAL 63 11.194 -37.905 -5.889 1.00 1.25 ATOM 1040 HG13 VAL 63 10.689 -39.586 -5.891 1.00 3.21 ATOM 1041 CG2 VAL 63 8.321 -39.227 -4.523 1.00 22.42 ATOM 1042 HG21 VAL 63 7.294 -38.894 -4.476 1.00 3.34 ATOM 1043 HG22 VAL 63 8.715 -39.321 -3.522 1.00 12.33 ATOM 1044 HG23 VAL 63 8.356 -40.192 -5.004 1.00 12.20 ATOM 1045 C VAL 63 9.459 -36.831 -3.284 1.00 22.05 ATOM 1046 O VAL 63 10.658 -36.811 -3.000 1.00 71.25 ATOM 1047 N LEU 64 8.500 -36.868 -2.365 1.00 42.11 ATOM 1048 HN LEU 64 7.555 -36.898 -2.651 1.00 37.49 ATOM 1049 CA LEU 64 8.807 -36.888 -0.939 1.00 50.20 ATOM 1050 HA LEU 64 9.686 -36.277 -0.781 1.00 4.44 ATOM 1051 CB LEU 64 7.647 -36.291 -0.139 1.00 62.44 ATOM 1052 HB1 LEU 64 6.806 -36.973 -0.203 1.00 37.49 ATOM 1053 HB2 LEU 64 7.358 -35.361 -0.615 1.00 55.23 ATOM 1054 CG LEU 64 7.926 -36.006 1.337 1.00 62.43 ATOM 1055 HG LEU 64 8.265 -36.914 1.814 1.00 20.13 ATOM 1056 CD1 LEU 64 9.023 -34.963 1.481 1.00 41.11 ATOM 1057 HD11 LEU 64 8.737 -34.058 0.963 1.00 32.30 ATOM 1058 HD12 LEU 64 9.943 -35.341 1.065 1.00 10.31 ATOM 1059 HD13 LEU 64 9.177 -34.740 2.528 1.00 5.03 ATOM 1060 CD2 LEU 64 6.657 -35.549 2.041 1.00 71.42 ATOM 1061 HD21 LEU 64 6.872 -35.322 3.075 1.00 21.42 ATOM 1062 HD22 LEU 64 5.917 -36.335 1.996 1.00 61.53 ATOM 1063 HD23 LEU 64 6.270 -34.663 1.555 1.00 64.32 ATOM 1064 C LEU 64 9.090 -38.309 -0.463 1.00 2.13 ATOM 1065 O LEU 64 8.179 -39.128 -0.345 1.00 72.13 ATOM 1066 N ASP 65 10.358 -38.593 -0.188 1.00 64.30 ATOM 1067 HN ASP 65 11.029 -37.876 -0.265 1.00 37.49 ATOM 1068 CA ASP 65 10.762 -39.915 0.279 1.00 12.41 ATOM 1069 HA ASP 65 10.447 -40.635 -0.456 1.00 12.42 ATOM 1070 CB ASP 65 12.284 -39.990 0.411 1.00 53.24 ATOM 1071 HB1 ASP 65 12.586 -41.027 0.438 1.00 37.49 ATOM 1072 HB2 ASP 65 12.599 -39.503 1.325 1.00 53.11 ATOM 1073 CG ASP 65 12.999 -39.314 -0.743 1.00 13.44 ATOM 1074 OD1 ASP 65 14.123 -38.813 -0.531 1.00 52.05 ATOM 1075 OD2 ASP 65 12.434 -39.284 -1.856 1.00 74.21 ATOM 1076 C ASP 65 10.106 -40.241 1.617 1.00 24.43 ATOM 1077 O ASP 65 10.536 -39.759 2.666 1.00 45.43 ATOM 1078 N LEU 66 9.063 -41.063 1.574 1.00 1.42 ATOM 1079 HN LEU 66 8.768 -41.422 0.708 1.00 37.49 ATOM 1080 CA LEU 66 8.347 -41.454 2.783 1.00 12.45 ATOM 1081 HA LEU 66 8.043 -40.559 3.301 1.00 24.22 ATOM 1082 CB LEU 66 7.111 -42.280 2.423 1.00 21.11 ATOM 1083 HB1 LEU 66 6.692 -42.682 3.340 1.00 37.49 ATOM 1084 HB2 LEU 66 7.432 -43.107 1.806 1.00 2.11 ATOM 1085 CG LEU 66 5.999 -41.536 1.683 1.00 35.53 ATOM 1086 HG LEU 66 6.360 -41.238 0.709 1.00 72.44 ATOM 1087 CD1 LEU 66 4.794 -42.443 1.480 1.00 45.13 ATOM 1088 HD11 LEU 66 4.403 -42.753 2.440 1.00 1.22 ATOM 1089 HD12 LEU 66 5.089 -43.316 0.915 1.00 61.43 ATOM 1090 HD13 LEU 66 4.026 -41.910 0.935 1.00 41.14 ATOM 1091 CD2 LEU 66 5.600 -40.280 2.443 1.00 10.15 ATOM 1092 HD21 LEU 66 4.733 -39.831 1.976 1.00 60.14 ATOM 1093 HD22 LEU 66 6.411 -39.569 2.422 1.00 15.22 ATOM 1094 HD23 LEU 66 5.363 -40.529 3.469 1.00 23.21 ATOM 1095 C LEU 66 9.251 -42.251 3.718 1.00 11.43 ATOM 1096 O LEU 66 9.284 -42.006 4.924 1.00 3.05 ATOM 1097 N PHE 67 9.984 -43.204 3.153 1.00 4.22 ATOM 1098 HN PHE 67 9.906 -43.365 2.182 1.00 37.49 ATOM 1099 CA PHE 67 10.890 -44.036 3.936 1.00 64.42 ATOM 1100 HA PHE 67 10.288 -44.650 4.592 1.00 42.14 ATOM 1101 CB PHE 67 11.711 -44.940 3.014 1.00 65.04 ATOM 1102 HB1 PHE 67 12.439 -44.342 2.477 1.00 37.49 ATOM 1103 HB2 PHE 67 11.044 -45.396 2.293 1.00 10.42 ATOM 1104 CG PHE 67 12.444 -46.031 3.741 1.00 72.54 ATOM 1105 CD1 PHE 67 12.032 -47.350 3.634 1.00 22.11 ATOM 1106 HD1 PHE 67 11.177 -47.591 3.018 1.00 23.01 ATOM 1107 CD2 PHE 67 13.544 -45.739 4.531 1.00 54.41 ATOM 1108 HD2 PHE 67 13.891 -44.722 4.620 1.00 64.11 ATOM 1109 CE1 PHE 67 12.704 -48.357 4.301 1.00 21.04 ATOM 1110 HE1 PHE 67 12.387 -49.380 4.206 1.00 1.40 ATOM 1111 CE2 PHE 67 14.220 -46.741 5.200 1.00 34.21 ATOM 1112 HE2 PHE 67 15.076 -46.500 5.813 1.00 10.15 ATOM 1113 CZ PHE 67 13.799 -48.052 5.086 1.00 13.23 ATOM 1114 HZ PHE 67 14.326 -48.837 5.608 1.00 44.21 ATOM 1115 C PHE 67 11.822 -43.177 4.785 1.00 10.33 ATOM 1116 O PHE 67 11.962 -43.396 5.988 1.00 35.21 ATOM 1117 N MET 68 12.458 -42.198 4.150 1.00 54.23 ATOM 1118 HN MET 68 12.281 -42.058 3.191 1.00 37.49 ATOM 1119 CA MET 68 13.376 -41.304 4.847 1.00 74.44 ATOM 1120 HA MET 68 14.102 -41.904 5.374 1.00 33.32 ATOM 1121 CB MET 68 14.097 -40.398 3.847 1.00 74.11 ATOM 1122 HB1 MET 68 14.823 -39.794 4.365 1.00 37.49 ATOM 1123 HB2 MET 68 13.361 -39.754 3.389 1.00 74.53 ATOM 1124 CG MET 68 14.791 -41.158 2.729 1.00 72.25 ATOM 1125 HG1 MET 68 15.322 -40.449 2.111 1.00 37.49 ATOM 1126 HG2 MET 68 14.050 -41.664 2.132 1.00 43.52 ATOM 1127 SD MET 68 15.968 -42.377 3.344 1.00 64.10 ATOM 1128 CE MET 68 16.873 -41.400 4.542 1.00 52.43 ATOM 1129 HE1 MET 68 17.178 -40.468 4.090 1.00 64.51 ATOM 1130 HE2 MET 68 17.748 -41.946 4.863 1.00 65.45 ATOM 1131 HE3 MET 68 16.242 -41.198 5.395 1.00 1.01 ATOM 1132 C MET 68 12.634 -40.457 5.875 1.00 34.25 ATOM 1133 O MET 68 13.062 -40.341 7.024 1.00 21.25 ATOM 1134 N LEU 69 11.520 -39.867 5.456 1.00 11.34 ATOM 1135 HN LEU 69 11.233 -39.992 4.520 1.00 37.49 ATOM 1136 CA LEU 69 10.718 -39.029 6.342 1.00 60.40 ATOM 1137 HA LEU 69 11.314 -38.170 6.604 1.00 31.13 ATOM 1138 CB LEU 69 9.439 -38.582 5.633 1.00 52.32 ATOM 1139 HB1 LEU 69 8.631 -39.246 5.922 1.00 37.49 ATOM 1140 HB2 LEU 69 9.579 -38.685 4.567 1.00 1.13 ATOM 1141 CG LEU 69 8.991 -37.145 5.901 1.00 55.41 ATOM 1142 HG LEU 69 8.934 -36.986 6.968 1.00 71.40 ATOM 1143 CD1 LEU 69 9.998 -36.157 5.334 1.00 51.53 ATOM 1144 HD11 LEU 69 9.735 -35.162 5.655 1.00 61.44 ATOM 1145 HD12 LEU 69 9.970 -36.199 4.258 1.00 41.12 ATOM 1146 HD13 LEU 69 10.994 -36.386 5.678 1.00 25.05 ATOM 1147 CD2 LEU 69 7.609 -36.898 5.312 1.00 62.01 ATOM 1148 HD21 LEU 69 7.253 -35.926 5.620 1.00 25.52 ATOM 1149 HD22 LEU 69 6.920 -37.656 5.647 1.00 0.40 ATOM 1150 HD23 LEU 69 7.666 -36.932 4.234 1.00 0.03 ATOM 1151 C LEU 69 10.367 -39.775 7.626 1.00 41.52 ATOM 1152 O LEU 69 10.503 -39.236 8.725 1.00 70.41 ATOM 1153 N TYR 70 9.917 -41.016 7.479 1.00 4.31 ATOM 1154 HN TYR 70 9.828 -41.395 6.573 1.00 37.49 ATOM 1155 CA TYR 70 9.547 -41.835 8.627 1.00 71.12 ATOM 1156 HA TYR 70 8.826 -41.290 9.217 1.00 12.24 ATOM 1157 CB TYR 70 8.908 -43.144 8.160 1.00 33.14 ATOM 1158 HB1 TYR 70 9.567 -43.614 7.441 1.00 37.49 ATOM 1159 HB2 TYR 70 7.970 -42.930 7.677 1.00 51.04 ATOM 1160 CG TYR 70 8.652 -44.126 9.281 1.00 21.32 ATOM 1161 CD1 TYR 70 7.476 -44.077 10.020 1.00 64.42 ATOM 1162 HD1 TYR 70 6.736 -43.324 9.787 1.00 34.25 ATOM 1163 CD2 TYR 70 9.586 -45.104 9.601 1.00 44.11 ATOM 1164 HD2 TYR 70 10.508 -45.159 9.038 1.00 74.44 ATOM 1165 CE1 TYR 70 7.239 -44.972 11.045 1.00 22.21 ATOM 1166 HE1 TYR 70 6.319 -44.919 11.606 1.00 3.33 ATOM 1167 CE2 TYR 70 9.357 -46.004 10.624 1.00 50.13 ATOM 1168 HE2 TYR 70 10.096 -46.757 10.857 1.00 42.24 ATOM 1169 CZ TYR 70 8.182 -45.934 11.343 1.00 3.31 ATOM 1170 OH TYR 70 7.949 -46.828 12.363 1.00 42.22 ATOM 1171 HH TYR 70 8.501 -46.611 13.121 1.00 24.31 ATOM 1172 C TYR 70 10.763 -42.132 9.499 1.00 33.32 ATOM 1173 O TYR 70 10.764 -41.855 10.699 1.00 53.13 ATOM 1174 N VAL 71 11.798 -42.698 8.887 1.00 31.51 ATOM 1175 HN VAL 71 11.741 -42.869 7.918 1.00 37.49 ATOM 1176 CA VAL 71 13.022 -43.033 9.606 1.00 52.53 ATOM 1177 HA VAL 71 12.793 -43.827 10.305 1.00 33.32 ATOM 1178 CB VAL 71 14.119 -43.528 8.645 1.00 3.21 ATOM 1179 HB VAL 71 14.317 -42.750 7.920 1.00 10.23 ATOM 1180 CG1 VAL 71 15.407 -43.809 9.405 1.00 52.24 ATOM 1181 HG11 VAL 71 16.114 -44.307 8.752 1.00 63.04 ATOM 1182 HG12 VAL 71 15.203 -44.444 10.256 1.00 44.11 ATOM 1183 HG13 VAL 71 15.844 -42.882 9.745 1.00 72.24 ATOM 1184 CG2 VAL 71 13.652 -44.766 7.896 1.00 75.23 ATOM 1185 HG21 VAL 71 12.593 -44.743 7.711 1.00 32.23 ATOM 1186 HG22 VAL 71 13.883 -45.657 8.467 1.00 24.03 ATOM 1187 HG23 VAL 71 14.174 -44.802 6.962 1.00 35.45 ATOM 1188 C VAL 71 13.547 -41.832 10.384 1.00 2.41 ATOM 1189 O VAL 71 14.006 -41.966 11.519 1.00 23.12 ATOM 1190 N LEU 72 13.477 -40.657 9.768 1.00 75.15 ATOM 1191 HN LEU 72 13.105 -40.609 8.856 1.00 37.49 ATOM 1192 CA LEU 72 13.945 -39.430 10.403 1.00 73.13 ATOM 1193 HA LEU 72 14.924 -39.623 10.812 1.00 13.02 ATOM 1194 CB LEU 72 14.023 -38.299 9.376 1.00 14.32 ATOM 1195 HB1 LEU 72 13.796 -37.376 9.866 1.00 37.49 ATOM 1196 HB2 LEU 72 13.271 -38.460 8.617 1.00 22.41 ATOM 1197 CG LEU 72 15.372 -38.115 8.681 1.00 70.12 ATOM 1198 HG LEU 72 15.299 -37.298 7.978 1.00 31.21 ATOM 1199 CD1 LEU 72 16.451 -37.767 9.694 1.00 44.42 ATOM 1200 HD11 LEU 72 16.147 -36.902 10.269 1.00 42.32 ATOM 1201 HD12 LEU 72 17.369 -37.538 9.172 1.00 10.34 ATOM 1202 HD13 LEU 72 16.621 -38.599 10.360 1.00 23.34 ATOM 1203 CD2 LEU 72 15.749 -39.371 7.908 1.00 53.53 ATOM 1204 HD21 LEU 72 15.078 -39.493 7.080 1.00 53.20 ATOM 1205 HD22 LEU 72 15.703 -40.240 8.547 1.00 4.32 ATOM 1206 HD23 LEU 72 16.757 -39.270 7.524 1.00 51.22 ATOM 1207 C LEU 72 13.026 -39.027 11.552 1.00 61.12 ATOM 1208 O LEU 72 13.471 -38.865 12.688 1.00 14.14 ATOM 1209 N VAL 73 11.742 -38.869 11.248 1.00 14.13 ATOM 1210 HN VAL 73 11.447 -39.025 10.320 1.00 37.49 ATOM 1211 CA VAL 73 10.759 -38.488 12.256 1.00 22.42 ATOM 1212 HA VAL 73 10.990 -37.484 12.588 1.00 63.05 ATOM 1213 CB VAL 73 9.331 -38.496 11.679 1.00 21.52 ATOM 1214 HB VAL 73 9.143 -39.469 11.249 1.00 54.32 ATOM 1215 CG1 VAL 73 8.309 -38.257 12.780 1.00 71.11 ATOM 1216 HG11 VAL 73 8.606 -37.435 13.398 1.00 2.43 ATOM 1217 HG12 VAL 73 8.213 -39.144 13.387 1.00 31.22 ATOM 1218 HG13 VAL 73 7.345 -38.039 12.337 1.00 41.12 ATOM 1219 CG2 VAL 73 9.196 -37.455 10.579 1.00 53.12 ATOM 1220 HG21 VAL 73 8.231 -37.525 10.124 1.00 4.12 ATOM 1221 HG22 VAL 73 9.954 -37.588 9.836 1.00 43.34 ATOM 1222 HG23 VAL 73 9.306 -36.469 11.009 1.00 4.30 ATOM 1223 C VAL 73 10.815 -39.424 13.459 1.00 51.22 ATOM 1224 O VAL 73 10.646 -38.996 14.601 1.00 5.03 ATOM 1225 N THR 74 11.053 -40.705 13.195 1.00 43.23 ATOM 1226 HN THR 74 11.174 -40.997 12.263 1.00 37.49 ATOM 1227 CA THR 74 11.131 -41.702 14.255 1.00 71.03 ATOM 1228 HA THR 74 10.277 -41.572 14.913 1.00 33.02 ATOM 1229 CB THR 74 11.091 -43.132 13.684 1.00 34.44 ATOM 1230 HB THR 74 11.321 -43.837 14.475 1.00 15.20 ATOM 1231 OG1 THR 74 12.060 -43.271 12.639 1.00 13.43 ATOM 1232 HG1 THR 74 12.311 -44.194 12.551 1.00 33.34 ATOM 1233 CG2 THR 74 9.706 -43.461 13.146 1.00 64.40 ATOM 1234 HG21 THR 74 9.710 -44.470 12.800 1.00 63.45 ATOM 1235 HG22 THR 74 9.452 -42.798 12.339 1.00 53.41 ATOM 1236 HG23 THR 74 8.977 -43.360 13.937 1.00 30.51 ATOM 1237 C THR 74 12.402 -41.531 15.078 1.00 22.23 ATOM 1238 O THR 74 12.351 -41.454 16.305 1.00 4.02 ATOM 1239 N GLU 75 13.541 -41.472 14.395 1.00 21.30 ATOM 1240 HN GLU 75 13.515 -41.538 13.410 1.00 37.49 ATOM 1241 CA GLU 75 14.826 -41.310 15.066 1.00 72.55 ATOM 1242 HA GLU 75 14.971 -42.157 15.723 1.00 34.42 ATOM 1243 CB GLU 75 15.961 -41.282 14.040 1.00 23.13 ATOM 1244 HB1 GLU 75 15.660 -41.827 13.162 1.00 37.49 ATOM 1245 HB2 GLU 75 16.819 -41.787 14.461 1.00 62.15 ATOM 1246 CG GLU 75 16.358 -39.880 13.610 1.00 55.15 ATOM 1247 HG1 GLU 75 15.509 -39.227 13.584 1.00 37.49 ATOM 1248 HG2 GLU 75 16.768 -39.947 12.613 1.00 44.03 ATOM 1249 CD GLU 75 17.423 -39.274 14.503 1.00 72.32 ATOM 1250 OE1 GLU 75 17.828 -38.121 14.246 1.00 31.52 ATOM 1251 OE2 GLU 75 17.851 -39.954 15.459 1.00 60.21 ATOM 1252 C GLU 75 14.847 -40.033 15.900 1.00 41.12 ATOM 1253 O GLU 75 15.637 -39.901 16.834 1.00 5.24 ATOM 1254 N LYS 76 13.973 -39.093 15.555 1.00 61.44 ATOM 1255 HN LYS 76 13.400 -39.215 14.768 1.00 37.49 ATOM 1256 CA LYS 76 13.889 -37.826 16.270 1.00 1.23 ATOM 1257 HA LYS 76 14.890 -37.521 16.544 1.00 51.24 ATOM 1258 CB LYS 76 13.255 -36.755 15.380 1.00 43.24 ATOM 1259 HB1 LYS 76 12.948 -35.912 15.989 1.00 37.49 ATOM 1260 HB2 LYS 76 12.382 -37.172 14.900 1.00 71.45 ATOM 1261 CG LYS 76 14.186 -36.235 14.297 1.00 34.41 ATOM 1262 HG1 LYS 76 13.647 -35.511 13.708 1.00 37.49 ATOM 1263 HG2 LYS 76 14.498 -37.053 13.673 1.00 62.03 ATOM 1264 CD LYS 76 15.422 -35.581 14.891 1.00 71.41 ATOM 1265 HD1 LYS 76 16.142 -36.357 15.106 1.00 37.49 ATOM 1266 HD2 LYS 76 15.179 -35.070 15.807 1.00 72.41 ATOM 1267 CE LYS 76 16.056 -34.601 13.917 1.00 43.25 ATOM 1268 HE1 LYS 76 15.343 -33.838 13.655 1.00 37.49 ATOM 1269 HE2 LYS 76 16.340 -35.140 13.023 1.00 54.33 ATOM 1270 NZ LYS 76 17.274 -33.962 14.487 1.00 44.31 ATOM 1271 HZ1 LYS 76 18.017 -34.676 14.631 1.00 41.12 ATOM 1272 HZ2 LYS 76 17.062 -33.512 15.401 1.00 23.55 ATOM 1273 HZ3 LYS 76 17.632 -33.236 13.834 1.00 23.41 ATOM 1274 C LYS 76 13.080 -37.978 17.554 1.00 32.42 ATOM 1275 O LYS 76 13.236 -37.200 18.494 1.00 22.31 ATOM 1276 N GLY 77 12.215 -38.988 17.587 1.00 51.20 ATOM 1277 HN GLY 77 12.108 -39.573 16.814 1.00 37.49 ATOM 1278 CA GLY 77 11.395 -39.225 18.761 1.00 42.50 ATOM 1279 HA1 GLY 77 11.393 -38.354 19.405 1.00 37.49 ATOM 1280 HA2 GLY 77 11.812 -40.056 19.310 1.00 63.21 ATOM 1281 C GLY 77 9.959 -39.556 18.408 1.00 12.00 ATOM 1282 O GLY 77 9.250 -40.188 19.190 1.00 11.32 ATOM 1283 N GLY 78 9.527 -39.127 17.226 1.00 42.22 ATOM 1284 HN GLY 78 10.123 -38.618 16.632 1.00 37.49 ATOM 1285 CA GLY 78 8.167 -39.390 16.793 1.00 43.44 ATOM 1286 HA1 GLY 78 7.551 -39.687 17.634 1.00 37.49 ATOM 1287 HA2 GLY 78 8.185 -40.200 16.079 1.00 55.43 ATOM 1288 C GLY 78 7.524 -38.183 16.138 1.00 31.21 ATOM 1289 O GLY 78 8.001 -37.058 16.288 1.00 45.31 ATOM 1290 N LEU 79 6.438 -38.417 15.409 1.00 43.51 ATOM 1291 HN LEU 79 6.106 -39.343 15.322 1.00 37.49 ATOM 1292 CA LEU 79 5.729 -37.340 14.727 1.00 53.30 ATOM 1293 HA LEU 79 6.357 -36.970 13.940 1.00 25.33 ATOM 1294 CB LEU 79 4.423 -37.863 14.125 1.00 24.44 ATOM 1295 HB1 LEU 79 3.858 -38.334 14.917 1.00 37.49 ATOM 1296 HB2 LEU 79 4.680 -38.617 13.402 1.00 34.01 ATOM 1297 CG LEU 79 3.527 -36.821 13.457 1.00 15.32 ATOM 1298 HG LEU 79 3.139 -36.150 14.209 1.00 32.03 ATOM 1299 CD1 LEU 79 4.321 -35.996 12.457 1.00 40.51 ATOM 1300 HD11 LEU 79 4.741 -35.142 12.968 1.00 61.41 ATOM 1301 HD12 LEU 79 3.680 -35.644 11.658 1.00 3.22 ATOM 1302 HD13 LEU 79 5.127 -36.578 12.038 1.00 21.52 ATOM 1303 CD2 LEU 79 2.343 -37.493 12.776 1.00 1.13 ATOM 1304 HD21 LEU 79 1.746 -36.744 12.274 1.00 53.52 ATOM 1305 HD22 LEU 79 1.735 -37.980 13.523 1.00 32.42 ATOM 1306 HD23 LEU 79 2.664 -38.216 12.070 1.00 31.21 ATOM 1307 C LEU 79 5.435 -36.189 15.684 1.00 21.24 ATOM 1308 O LEU 79 5.800 -35.043 15.424 1.00 5.45 ATOM 1309 N VAL 80 4.774 -36.504 16.794 1.00 4.52 ATOM 1310 HN VAL 80 4.544 -37.447 16.954 1.00 37.49 ATOM 1311 CA VAL 80 4.435 -35.497 17.793 1.00 54.13 ATOM 1312 HA VAL 80 3.754 -34.789 17.336 1.00 23.31 ATOM 1313 CB VAL 80 3.735 -36.128 19.011 1.00 22.50 ATOM 1314 HB VAL 80 4.423 -36.813 19.486 1.00 21.33 ATOM 1315 CG1 VAL 80 3.357 -35.059 20.024 1.00 53.53 ATOM 1316 HG11 VAL 80 3.073 -34.148 19.511 1.00 32.41 ATOM 1317 HG12 VAL 80 4.202 -34.861 20.662 1.00 51.53 ATOM 1318 HG13 VAL 80 2.535 -35.385 20.626 1.00 62.32 ATOM 1319 CG2 VAL 80 2.510 -36.916 18.572 1.00 20.33 ATOM 1320 HG21 VAL 80 2.797 -37.704 17.895 1.00 52.10 ATOM 1321 HG22 VAL 80 1.822 -36.261 18.081 1.00 72.52 ATOM 1322 HG23 VAL 80 2.034 -37.354 19.434 1.00 21.02 ATOM 1323 C VAL 80 5.677 -34.750 18.265 1.00 52.45 ATOM 1324 O VAL 80 5.699 -33.520 18.295 1.00 54.34 ATOM 1325 N GLU 81 6.710 -35.502 18.632 1.00 54.23 ATOM 1326 HN GLU 81 6.631 -36.486 18.591 1.00 37.49 ATOM 1327 CA GLU 81 7.956 -34.909 19.103 1.00 60.44 ATOM 1328 HA GLU 81 7.751 -34.390 20.029 1.00 34.25 ATOM 1329 CB GLU 81 8.997 -36.000 19.367 1.00 13.41 ATOM 1330 HB1 GLU 81 8.971 -36.720 18.562 1.00 37.49 ATOM 1331 HB2 GLU 81 8.728 -36.505 20.285 1.00 12.33 ATOM 1332 CG GLU 81 10.410 -35.465 19.529 1.00 31.53 ATOM 1333 HG1 GLU 81 10.955 -36.140 20.173 1.00 37.49 ATOM 1334 HG2 GLU 81 10.381 -34.489 19.990 1.00 33.24 ATOM 1335 CD GLU 81 11.152 -35.368 18.210 1.00 14.13 ATOM 1336 OE1 GLU 81 10.838 -36.155 17.293 1.00 50.20 ATOM 1337 OE2 GLU 81 12.046 -34.504 18.096 1.00 1.20 ATOM 1338 C GLU 81 8.500 -33.907 18.088 1.00 34.50 ATOM 1339 O GLU 81 9.025 -32.857 18.456 1.00 2.05 ATOM 1340 N VAL 82 8.370 -34.241 16.808 1.00 55.22 ATOM 1341 HN VAL 82 7.950 -35.100 16.567 1.00 37.49 ATOM 1342 CA VAL 82 8.847 -33.371 15.739 1.00 34.21 ATOM 1343 HA VAL 82 9.856 -33.086 15.972 1.00 41.50 ATOM 1344 CB VAL 82 8.843 -34.098 14.381 1.00 44.41 ATOM 1345 HB VAL 82 7.844 -34.457 14.186 1.00 15.34 ATOM 1346 CG1 VAL 82 9.229 -33.141 13.263 1.00 74.13 ATOM 1347 HG11 VAL 82 8.590 -33.334 12.415 1.00 50.22 ATOM 1348 HG12 VAL 82 10.253 -33.310 12.962 1.00 4.44 ATOM 1349 HG13 VAL 82 9.124 -32.109 13.546 1.00 60.04 ATOM 1350 CG2 VAL 82 9.781 -35.295 14.416 1.00 75.45 ATOM 1351 HG21 VAL 82 10.777 -34.970 14.670 1.00 22.01 ATOM 1352 HG22 VAL 82 9.804 -35.767 13.446 1.00 33.23 ATOM 1353 HG23 VAL 82 9.445 -36.000 15.145 1.00 2.53 ATOM 1354 C VAL 82 7.993 -32.113 15.632 1.00 13.21 ATOM 1355 O VAL 82 8.514 -30.998 15.601 1.00 1.33 ATOM 1356 N ILE 83 6.678 -32.299 15.576 1.00 24.43 ATOM 1357 HN ILE 83 6.323 -33.217 15.627 1.00 37.49 ATOM 1358 CA ILE 83 5.752 -31.179 15.474 1.00 11.35 ATOM 1359 HA ILE 83 5.942 -30.670 14.537 1.00 13.11 ATOM 1360 CB ILE 83 4.288 -31.656 15.480 1.00 72.43 ATOM 1361 HB ILE 83 4.111 -32.194 16.402 1.00 41.13 ATOM 1362 CG1 ILE 83 4.029 -32.591 14.296 1.00 41.41 ATOM 1363 HG11 ILE 83 4.779 -33.356 14.264 1.00 37.49 ATOM 1364 HG12 ILE 83 4.086 -32.032 13.387 1.00 42.21 ATOM 1365 CG2 ILE 83 3.342 -30.466 15.438 1.00 10.51 ATOM 1366 HG21 ILE 83 3.565 -29.853 14.576 1.00 31.41 ATOM 1367 HG22 ILE 83 3.447 -29.876 16.335 1.00 23.31 ATOM 1368 HG23 ILE 83 2.320 -30.808 15.373 1.00 51.14 ATOM 1369 CD1 ILE 83 2.687 -33.286 14.357 1.00 62.10 ATOM 1370 HD11 ILE 83 1.898 -32.567 14.196 1.00 63.00 ATOM 1371 HD12 ILE 83 2.564 -33.745 15.326 1.00 22.32 ATOM 1372 HD13 ILE 83 2.642 -34.046 13.591 1.00 40.15 ATOM 1373 C ILE 83 5.957 -30.191 16.618 1.00 54.43 ATOM 1374 O ILE 83 5.794 -28.984 16.445 1.00 44.53 ATOM 1375 N ASN 84 6.316 -30.712 17.786 1.00 33.23 ATOM 1376 HN ASN 84 6.427 -31.687 17.875 1.00 37.49 ATOM 1377 CA ASN 84 6.544 -29.876 18.959 1.00 43.42 ATOM 1378 HA ASN 84 5.837 -29.052 18.940 1.00 72.24 ATOM 1379 CB ASN 84 6.326 -30.685 20.239 1.00 51.22 ATOM 1380 HB1 ASN 84 6.681 -30.116 21.091 1.00 37.49 ATOM 1381 HB2 ASN 84 6.890 -31.604 20.172 1.00 32.15 ATOM 1382 CG ASN 84 4.864 -31.012 20.473 1.00 31.43 ATOM 1383 OD1 ASN 84 4.016 -30.121 20.517 1.00 73.14 ATOM 1384 ND2 ASN 84 4.563 -32.297 20.626 1.00 13.32 ATOM 1385 HD21 ASN 84 5.278 -32.970 20.576 1.00 42.11 ATOM 1386 HD22 ASN 84 3.629 -32.518 20.808 1.00 12.35 ATOM 1387 C ASN 84 7.955 -29.294 18.946 1.00 71.53 ATOM 1388 O ASN 84 8.149 -28.101 19.177 1.00 40.21 ATOM 1389 N LYS 85 8.937 -30.146 18.673 1.00 24.52 ATOM 1390 HN LYS 85 8.721 -31.091 18.500 1.00 37.49 ATOM 1391 CA LYS 85 10.331 -29.719 18.627 1.00 33.25 ATOM 1392 HA LYS 85 10.573 -29.253 19.573 1.00 43.45 ATOM 1393 CB LYS 85 11.248 -30.924 18.408 1.00 22.34 ATOM 1394 HB1 LYS 85 12.191 -30.586 17.990 1.00 37.49 ATOM 1395 HB2 LYS 85 10.786 -31.587 17.697 1.00 72.42 ATOM 1396 CG LYS 85 11.534 -31.710 19.677 1.00 41.53 ATOM 1397 HG1 LYS 85 11.446 -32.753 19.457 1.00 37.49 ATOM 1398 HG2 LYS 85 10.817 -31.454 20.446 1.00 12.13 ATOM 1399 CD LYS 85 12.938 -31.444 20.193 1.00 45.35 ATOM 1400 HD1 LYS 85 13.654 -31.683 19.419 1.00 37.49 ATOM 1401 HD2 LYS 85 13.117 -32.071 21.054 1.00 74.40 ATOM 1402 CE LYS 85 13.116 -29.990 20.602 1.00 40.42 ATOM 1403 HE1 LYS 85 12.843 -29.340 19.784 1.00 37.49 ATOM 1404 HE2 LYS 85 14.157 -29.831 20.844 1.00 51.31 ATOM 1405 NZ LYS 85 12.296 -29.646 21.796 1.00 11.52 ATOM 1406 HZ1 LYS 85 11.284 -29.721 21.579 1.00 63.21 ATOM 1407 HZ2 LYS 85 12.498 -28.670 22.093 1.00 33.14 ATOM 1408 HZ3 LYS 85 12.519 -30.286 22.588 1.00 5.11 ATOM 1409 C LYS 85 10.549 -28.693 17.520 1.00 10.25 ATOM 1410 O LYS 85 11.559 -27.989 17.502 1.00 63.40 ATOM 1411 N LYS 86 9.595 -28.611 16.599 1.00 11.13 ATOM 1412 HN LYS 86 8.841 -29.231 16.598 1.00 37.49 ATOM 1413 CA LYS 86 9.681 -27.669 15.490 1.00 53.41 ATOM 1414 HA LYS 86 8.884 -27.897 14.801 1.00 74.41 ATOM 1415 CB LYS 86 9.515 -26.235 15.998 1.00 43.41 ATOM 1416 HB1 LYS 86 9.658 -25.543 15.175 1.00 37.49 ATOM 1417 HB2 LYS 86 10.268 -26.042 16.747 1.00 71.15 ATOM 1418 CG LYS 86 8.156 -25.962 16.620 1.00 64.45 ATOM 1419 HG1 LYS 86 8.205 -25.019 17.137 1.00 37.49 ATOM 1420 HG2 LYS 86 7.935 -26.741 17.328 1.00 60.43 ATOM 1421 CD LYS 86 7.058 -25.939 15.570 1.00 33.41 ATOM 1422 HD1 LYS 86 6.228 -26.511 15.946 1.00 37.49 ATOM 1423 HD2 LYS 86 7.403 -26.379 14.644 1.00 2.24 ATOM 1424 CE LYS 86 6.588 -24.521 15.286 1.00 12.02 ATOM 1425 HE1 LYS 86 5.843 -24.545 14.507 1.00 37.49 ATOM 1426 HE2 LYS 86 7.432 -23.935 14.949 1.00 32.01 ATOM 1427 NZ LYS 86 6.009 -23.876 16.497 1.00 53.31 ATOM 1428 HZ1 LYS 86 5.329 -24.513 16.966 1.00 34.13 ATOM 1429 HZ2 LYS 86 5.509 -23.006 16.225 1.00 74.32 ATOM 1430 HZ3 LYS 86 6.757 -23.625 17.171 1.00 64.32 ATOM 1431 C LYS 86 11.011 -27.810 14.758 1.00 45.40 ATOM 1432 O LYS 86 11.518 -26.848 14.179 1.00 2.41 ATOM 1433 N LEU 87 11.572 -29.014 14.786 1.00 2.52 ATOM 1434 HN LEU 87 11.102 -29.747 15.212 1.00 37.49 ATOM 1435 CA LEU 87 12.844 -29.281 14.124 1.00 42.23 ATOM 1436 HA LEU 87 13.410 -28.359 14.063 1.00 30.31 ATOM 1437 CB LEU 87 13.660 -30.292 14.931 1.00 34.30 ATOM 1438 HB1 LEU 87 13.497 -30.094 15.984 1.00 37.49 ATOM 1439 HB2 LEU 87 14.705 -30.121 14.713 1.00 42.55 ATOM 1440 CG LEU 87 13.356 -31.767 14.662 1.00 45.32 ATOM 1441 HG LEU 87 13.693 -32.041 13.678 1.00 61.24 ATOM 1442 CD1 LEU 87 14.107 -32.654 15.643 1.00 44.25 ATOM 1443 HD11 LEU 87 13.791 -33.671 15.511 1.00 55.45 ATOM 1444 HD12 LEU 87 13.887 -32.344 16.657 1.00 63.22 ATOM 1445 HD13 LEU 87 15.164 -32.571 15.466 1.00 31.34 ATOM 1446 CD2 LEU 87 11.859 -32.027 14.743 1.00 43.21 ATOM 1447 HD21 LEU 87 11.332 -31.498 13.972 1.00 4.40 ATOM 1448 HD22 LEU 87 11.492 -31.718 15.706 1.00 3.10 ATOM 1449 HD23 LEU 87 11.678 -33.083 14.624 1.00 3.14 ATOM 1450 C LEU 87 12.621 -29.804 12.708 1.00 5.12 ATOM 1451 O LEU 87 13.500 -30.440 12.126 1.00 33.30 ATOM 1452 N TRP 88 11.443 -29.529 12.161 1.00 62.55 ATOM 1453 HN TRP 88 10.772 -29.026 12.654 1.00 37.49 ATOM 1454 CA TRP 88 11.106 -29.971 10.812 1.00 42.22 ATOM 1455 HA TRP 88 10.969 -31.043 10.842 1.00 44.12 ATOM 1456 CB TRP 88 9.815 -29.300 10.341 1.00 13.23 ATOM 1457 HB1 TRP 88 9.830 -29.181 9.264 1.00 37.49 ATOM 1458 HB2 TRP 88 9.750 -28.329 10.802 1.00 34.23 ATOM 1459 CG TRP 88 8.581 -30.073 10.695 1.00 74.21 ATOM 1460 CD1 TRP 88 7.552 -29.656 11.490 1.00 32.04 ATOM 1461 HD1 TRP 88 7.507 -28.696 11.978 1.00 41.04 ATOM 1462 CD2 TRP 88 8.247 -31.398 10.267 1.00 64.04 ATOM 1463 NE1 TRP 88 6.599 -30.642 11.582 1.00 1.04 ATOM 1464 HE1 TRP 88 5.766 -30.582 12.095 1.00 33.43 ATOM 1465 CE2 TRP 88 7.002 -31.720 10.840 1.00 73.41 ATOM 1466 CE3 TRP 88 8.879 -32.343 9.453 1.00 52.40 ATOM 1467 HE3 TRP 88 9.827 -32.131 8.994 1.00 24.04 ATOM 1468 CZ2 TRP 88 6.379 -32.947 10.625 1.00 11.03 ATOM 1469 HZ2 TRP 88 5.430 -33.190 11.075 1.00 1.14 ATOM 1470 CZ3 TRP 88 8.260 -33.560 9.241 1.00 15.42 ATOM 1471 HZ3 TRP 88 8.726 -34.299 8.614 1.00 72.33 ATOM 1472 CH2 TRP 88 7.020 -33.853 9.825 1.00 53.04 ATOM 1473 HH2 TRP 88 6.573 -34.817 9.633 1.00 21.10 ATOM 1474 C TRP 88 12.238 -29.661 9.839 1.00 44.22 ATOM 1475 O TRP 88 12.447 -30.384 8.865 1.00 63.13 ATOM 1476 N ARG 89 12.966 -28.582 10.109 1.00 63.22 ATOM 1477 HN ARG 89 12.697 -27.987 10.843 1.00 37.49 ATOM 1478 CA ARG 89 14.077 -28.177 9.256 1.00 51.23 ATOM 1479 HA ARG 89 13.670 -27.866 8.305 1.00 64.30 ATOM 1480 CB ARG 89 14.826 -27.000 9.883 1.00 42.33 ATOM 1481 HB1 ARG 89 14.162 -26.151 9.887 1.00 37.49 ATOM 1482 HB2 ARG 89 15.694 -26.762 9.281 1.00 55.13 ATOM 1483 CG ARG 89 15.282 -27.258 11.310 1.00 73.24 ATOM 1484 HG1 ARG 89 16.037 -28.025 11.298 1.00 37.49 ATOM 1485 HG2 ARG 89 14.446 -27.581 11.909 1.00 21.15 ATOM 1486 CD ARG 89 15.878 -26.009 11.939 1.00 43.12 ATOM 1487 HD1 ARG 89 15.286 -25.149 11.661 1.00 37.49 ATOM 1488 HD2 ARG 89 16.885 -25.884 11.571 1.00 13.23 ATOM 1489 NE ARG 89 15.913 -26.093 13.396 1.00 31.34 ATOM 1490 HE ARG 89 15.549 -26.905 13.821 1.00 50.22 ATOM 1491 CZ ARG 89 16.406 -25.138 14.176 1.00 14.34 ATOM 1492 NH1 ARG 89 16.902 -24.031 13.641 1.00 1.13 ATOM 1493 HH11 ARG 89 16.915 -23.893 12.652 1.00 3.43 ATOM 1494 HH12 ARG 89 17.273 -23.316 14.237 1.00 65.20 ATOM 1495 NH2 ARG 89 16.402 -25.288 15.495 1.00 52.12 ATOM 1496 HH21 ARG 89 16.027 -26.122 15.906 1.00 41.22 ATOM 1497 HH22 ARG 89 16.774 -24.569 16.085 1.00 71.32 ATOM 1498 C ARG 89 15.037 -29.340 9.024 1.00 3.23 ATOM 1499 O ARG 89 15.527 -29.541 7.913 1.00 12.44 ATOM 1500 N GLU 90 15.302 -30.102 10.081 1.00 12.52 ATOM 1501 HN GLU 90 14.850 -29.917 10.935 1.00 37.49 ATOM 1502 CA GLU 90 16.205 -31.243 9.992 1.00 34.14 ATOM 1503 HA GLU 90 17.140 -30.904 9.564 1.00 42.02 ATOM 1504 CB GLU 90 16.482 -31.812 11.386 1.00 43.44 ATOM 1505 HB1 GLU 90 17.208 -32.611 11.309 1.00 37.49 ATOM 1506 HB2 GLU 90 15.560 -32.220 11.783 1.00 33.21 ATOM 1507 CG GLU 90 16.989 -30.776 12.376 1.00 71.24 ATOM 1508 HG1 GLU 90 16.860 -31.172 13.372 1.00 37.49 ATOM 1509 HG2 GLU 90 16.425 -29.865 12.289 1.00 65.13 ATOM 1510 CD GLU 90 18.459 -30.458 12.186 1.00 42.14 ATOM 1511 OE1 GLU 90 18.976 -29.586 12.915 1.00 12.32 ATOM 1512 OE2 GLU 90 19.093 -31.080 11.308 1.00 21.20 ATOM 1513 C GLU 90 15.621 -32.330 9.095 1.00 74.23 ATOM 1514 O GLU 90 16.323 -32.908 8.265 1.00 41.14 ATOM 1515 N ILE 91 14.332 -32.603 9.268 1.00 31.21 ATOM 1516 HN ILE 91 13.821 -32.081 9.924 1.00 37.49 ATOM 1517 CA ILE 91 13.653 -33.620 8.474 1.00 43.20 ATOM 1518 HA ILE 91 14.152 -34.565 8.641 1.00 72.45 ATOM 1519 CB ILE 91 12.176 -33.762 8.885 1.00 30.23 ATOM 1520 HB ILE 91 11.663 -32.853 8.619 1.00 63.44 ATOM 1521 CG1 ILE 91 12.063 -33.973 10.397 1.00 72.45 ATOM 1522 HG11 ILE 91 11.020 -34.086 10.660 1.00 37.49 ATOM 1523 HG12 ILE 91 12.458 -33.119 10.920 1.00 33.44 ATOM 1524 CG2 ILE 91 11.526 -34.914 8.134 1.00 74.12 ATOM 1525 HG21 ILE 91 10.567 -35.145 8.569 1.00 11.13 ATOM 1526 HG22 ILE 91 12.156 -35.792 8.186 1.00 21.31 ATOM 1527 HG23 ILE 91 11.387 -34.634 7.103 1.00 45.52 ATOM 1528 CD1 ILE 91 12.793 -35.202 10.891 1.00 32.32 ATOM 1529 HD11 ILE 91 12.627 -35.301 11.949 1.00 34.43 ATOM 1530 HD12 ILE 91 13.851 -35.112 10.703 1.00 31.22 ATOM 1531 HD13 ILE 91 12.404 -36.073 10.393 1.00 12.25 ATOM 1532 C ILE 91 13.726 -33.294 6.986 1.00 31.20 ATOM 1533 O ILE 91 13.961 -34.174 6.157 1.00 53.13 ATOM 1534 N THR 92 13.524 -32.023 6.653 1.00 5.24 ATOM 1535 HN THR 92 13.332 -31.360 7.358 1.00 37.49 ATOM 1536 CA THR 92 13.568 -31.580 5.266 1.00 54.24 ATOM 1537 HA THR 92 12.923 -32.233 4.688 1.00 15.33 ATOM 1538 CB THR 92 13.075 -30.127 5.124 1.00 24.11 ATOM 1539 HB THR 92 13.847 -29.519 4.665 1.00 52.33 ATOM 1540 OG1 THR 92 12.779 -29.582 6.415 1.00 74.53 ATOM 1541 HG1 THR 92 12.841 -28.623 6.384 1.00 42.34 ATOM 1542 CG2 THR 92 11.838 -30.059 4.242 1.00 13.33 ATOM 1543 HG21 THR 92 11.233 -30.943 4.362 1.00 44.13 ATOM 1544 HG22 THR 92 12.141 -29.975 3.211 1.00 70.41 ATOM 1545 HG23 THR 92 11.258 -29.189 4.509 1.00 61.31 ATOM 1546 C THR 92 14.979 -31.684 4.699 1.00 50.40 ATOM 1547 O THR 92 15.189 -32.250 3.626 1.00 15.10 ATOM 1548 N LYS 93 15.945 -31.134 5.426 1.00 25.05 ATOM 1549 HN LYS 93 15.714 -30.689 6.277 1.00 37.49 ATOM 1550 CA LYS 93 17.339 -31.166 4.998 1.00 72.11 ATOM 1551 HA LYS 93 17.404 -30.650 4.048 1.00 62.22 ATOM 1552 CB LYS 93 18.225 -30.453 6.021 1.00 1.44 ATOM 1553 HB1 LYS 93 18.455 -31.134 6.832 1.00 37.49 ATOM 1554 HB2 LYS 93 17.678 -29.614 6.434 1.00 71.52 ATOM 1555 CG LYS 93 19.538 -29.952 5.445 1.00 61.02 ATOM 1556 HG1 LYS 93 19.865 -30.611 4.650 1.00 37.49 ATOM 1557 HG2 LYS 93 20.275 -29.959 6.237 1.00 32.10 ATOM 1558 CD LYS 93 19.404 -28.542 4.896 1.00 43.44 ATOM 1559 HD1 LYS 93 18.743 -27.961 5.529 1.00 37.49 ATOM 1560 HD2 LYS 93 18.994 -28.593 3.899 1.00 24.14 ATOM 1561 CE LYS 93 20.751 -27.837 4.834 1.00 70.41 ATOM 1562 HE1 LYS 93 21.203 -27.847 5.817 1.00 37.49 ATOM 1563 HE2 LYS 93 20.591 -26.814 4.526 1.00 65.25 ATOM 1564 NZ LYS 93 21.675 -28.491 3.866 1.00 11.00 ATOM 1565 HZ1 LYS 93 22.561 -27.949 3.803 1.00 11.03 ATOM 1566 HZ2 LYS 93 21.243 -28.531 2.919 1.00 23.32 ATOM 1567 HZ3 LYS 93 21.899 -29.459 4.174 1.00 74.25 ATOM 1568 C LYS 93 17.817 -32.602 4.809 1.00 70.10 ATOM 1569 O LYS 93 18.637 -32.884 3.936 1.00 1.33 ATOM 1570 N GLY 94 17.297 -33.508 5.632 1.00 2.44 ATOM 1571 HN GLY 94 16.658 -33.241 6.329 1.00 37.49 ATOM 1572 CA GLY 94 17.682 -34.904 5.538 1.00 3.42 ATOM 1573 HA1 GLY 94 17.099 -35.474 6.246 1.00 37.49 ATOM 1574 HA2 GLY 94 18.729 -34.999 5.792 1.00 63.00 ATOM 1575 C GLY 94 17.459 -35.474 4.152 1.00 64.24 ATOM 1576 O GLY 94 18.219 -36.329 3.694 1.00 5.22 ATOM 1577 N LEU 95 16.414 -35.003 3.481 1.00 60.11 ATOM 1578 HN LEU 95 15.861 -34.292 3.876 1.00 37.49 ATOM 1579 CA LEU 95 16.092 -35.473 2.138 1.00 34.10 ATOM 1580 HA LEU 95 16.525 -36.456 1.992 1.00 34.53 ATOM 1581 CB LEU 95 14.576 -35.589 1.967 1.00 31.22 ATOM 1582 HB1 LEU 95 14.385 -36.390 1.265 1.00 37.49 ATOM 1583 HB2 LEU 95 14.201 -34.674 1.535 1.00 51.13 ATOM 1584 CG LEU 95 13.777 -35.872 3.240 1.00 53.41 ATOM 1585 HG LEU 95 13.964 -35.100 3.961 1.00 32.52 ATOM 1586 CD1 LEU 95 12.285 -35.862 2.946 1.00 34.04 ATOM 1587 HD11 LEU 95 11.840 -34.991 3.405 1.00 53.44 ATOM 1588 HD12 LEU 95 11.815 -36.750 3.346 1.00 44.41 ATOM 1589 HD13 LEU 95 12.106 -35.825 1.879 1.00 40.31 ATOM 1590 CD2 LEU 95 14.194 -37.203 3.847 1.00 1.04 ATOM 1591 HD21 LEU 95 13.478 -37.519 4.595 1.00 41.32 ATOM 1592 HD22 LEU 95 15.164 -37.098 4.308 1.00 34.43 ATOM 1593 HD23 LEU 95 14.251 -37.940 3.066 1.00 54.31 ATOM 1594 C LEU 95 16.663 -34.534 1.081 1.00 65.34 ATOM 1595 O LEU 95 16.338 -34.643 -0.101 1.00 4.21 ATOM 1596 N ASN 96 17.519 -33.614 1.514 1.00 31.01 ATOM 1597 HN ASN 96 17.771 -33.567 2.441 1.00 37.49 ATOM 1598 CA ASN 96 18.138 -32.657 0.604 1.00 12.02 ATOM 1599 HA ASN 96 18.805 -32.048 1.191 1.00 24.13 ATOM 1600 CB ASN 96 18.918 -33.391 -0.488 1.00 23.21 ATOM 1601 HB1 ASN 96 18.254 -33.698 -1.286 1.00 37.49 ATOM 1602 HB2 ASN 96 19.378 -34.271 -0.061 1.00 52.35 ATOM 1603 CG ASN 96 20.021 -32.537 -1.084 1.00 32.40 ATOM 1604 OD1 ASN 96 20.083 -32.343 -2.298 1.00 71.01 ATOM 1605 ND2 ASN 96 20.898 -32.023 -0.230 1.00 30.22 ATOM 1606 HD21 ASN 96 20.811 -32.213 0.730 1.00 64.52 ATOM 1607 HD22 ASN 96 21.612 -31.462 -0.599 1.00 53.31 ATOM 1608 C ASN 96 17.087 -31.750 -0.029 1.00 11.14 ATOM 1609 O ASN 96 17.072 -31.553 -1.244 1.00 52.14 ATOM 1610 N LEU 97 16.210 -31.200 0.804 1.00 51.33 ATOM 1611 HN LEU 97 16.279 -31.377 1.772 1.00 37.49 ATOM 1612 CA LEU 97 15.155 -30.312 0.327 1.00 71.34 ATOM 1613 HA LEU 97 15.026 -30.482 -0.733 1.00 14.43 ATOM 1614 CB LEU 97 13.835 -30.631 1.032 1.00 64.24 ATOM 1615 HB1 LEU 97 13.055 -30.035 0.584 1.00 37.49 ATOM 1616 HB2 LEU 97 13.931 -30.339 2.070 1.00 1.34 ATOM 1617 CG LEU 97 13.397 -32.096 1.005 1.00 3.04 ATOM 1618 HG LEU 97 14.070 -32.671 1.609 1.00 1.53 ATOM 1619 CD1 LEU 97 11.999 -32.245 1.584 1.00 72.30 ATOM 1620 HD11 LEU 97 11.615 -33.235 1.369 1.00 41.41 ATOM 1621 HD12 LEU 97 11.335 -31.506 1.156 1.00 12.11 ATOM 1622 HD13 LEU 97 12.044 -32.116 2.649 1.00 62.44 ATOM 1623 CD2 LEU 97 13.451 -32.643 -0.413 1.00 72.34 ATOM 1624 HD21 LEU 97 14.470 -32.639 -0.769 1.00 44.33 ATOM 1625 HD22 LEU 97 12.840 -32.033 -1.064 1.00 2.24 ATOM 1626 HD23 LEU 97 13.079 -33.659 -0.425 1.00 51.11 ATOM 1627 C LEU 97 15.527 -28.851 0.556 1.00 22.04 ATOM 1628 O LEU 97 16.288 -28.514 1.464 1.00 71.01 ATOM 1629 N PRO 98 14.978 -27.961 -0.283 1.00 74.02 ATOM 1630 CA PRO 98 15.235 -26.521 -0.190 1.00 3.01 ATOM 1631 HA PRO 98 16.297 -26.312 -0.204 1.00 20.30 ATOM 1632 CB PRO 98 14.594 -25.963 -1.463 1.00 4.20 ATOM 1633 HB1 PRO 98 15.341 -25.900 -2.240 1.00 37.49 ATOM 1634 HB2 PRO 98 14.176 -24.979 -1.286 1.00 62.24 ATOM 1635 CG PRO 98 13.537 -26.950 -1.819 1.00 65.34 ATOM 1636 HG1 PRO 98 13.370 -26.939 -2.886 1.00 37.49 ATOM 1637 HG2 PRO 98 12.628 -26.713 -1.296 1.00 34.43 ATOM 1638 CD PRO 98 14.062 -28.292 -1.388 1.00 11.11 ATOM 1639 HD1 PRO 98 14.592 -28.770 -2.198 1.00 37.49 ATOM 1640 HD2 PRO 98 13.258 -28.910 -1.045 1.00 33.22 ATOM 1641 C PRO 98 14.597 -25.897 1.046 1.00 54.41 ATOM 1642 O PRO 98 13.377 -25.930 1.212 1.00 53.44 ATOM 1643 N THR 99 15.428 -25.327 1.912 1.00 3.45 ATOM 1644 HN THR 99 16.391 -25.361 1.728 1.00 37.49 ATOM 1645 CA THR 99 14.945 -24.695 3.134 1.00 72.13 ATOM 1646 HA THR 99 14.318 -25.404 3.660 1.00 52.10 ATOM 1647 CB THR 99 16.109 -24.307 4.065 1.00 62.43 ATOM 1648 HB THR 99 16.573 -25.212 4.432 1.00 14.13 ATOM 1649 OG1 THR 99 15.617 -23.550 5.176 1.00 71.03 ATOM 1650 HG1 THR 99 16.238 -23.610 5.905 1.00 35.44 ATOM 1651 CG2 THR 99 17.155 -23.496 3.315 1.00 54.24 ATOM 1652 HG21 THR 99 17.691 -24.133 2.631 1.00 13.42 ATOM 1653 HG22 THR 99 17.853 -23.080 4.026 1.00 34.32 ATOM 1654 HG23 THR 99 16.689 -22.689 2.768 1.00 14.24 ATOM 1655 C THR 99 14.123 -23.450 2.821 1.00 42.23 ATOM 1656 O THR 99 13.431 -22.917 3.688 1.00 3.11 ATOM 1657 N SER 100 14.204 -22.991 1.576 1.00 54.12 ATOM 1658 HN SER 100 14.815 -23.405 0.934 1.00 37.49 ATOM 1659 CA SER 100 13.469 -21.806 1.149 1.00 2.42 ATOM 1660 HA SER 100 13.766 -20.979 1.781 1.00 3.41 ATOM 1661 CB SER 100 13.811 -21.463 -0.302 1.00 4.41 ATOM 1662 HB1 SER 100 13.664 -22.336 -0.920 1.00 37.49 ATOM 1663 HB2 SER 100 14.843 -21.150 -0.362 1.00 35.44 ATOM 1664 OG SER 100 12.988 -20.416 -0.787 1.00 35.44 ATOM 1665 HG SER 100 13.334 -20.098 -1.624 1.00 55.33 ATOM 1666 C SER 100 11.965 -22.018 1.293 1.00 41.55 ATOM 1667 O SER 100 11.200 -21.059 1.399 1.00 13.13 ATOM 1668 N ILE 101 11.549 -23.280 1.294 1.00 45.52 ATOM 1669 HN ILE 101 12.196 -24.003 1.178 1.00 37.49 ATOM 1670 CA ILE 101 10.138 -23.618 1.425 1.00 72.20 ATOM 1671 HA ILE 101 9.640 -23.301 0.515 1.00 75.15 ATOM 1672 CB ILE 101 9.935 -25.137 1.580 1.00 23.02 ATOM 1673 HB ILE 101 10.471 -25.454 2.458 1.00 75.41 ATOM 1674 CG1 ILE 101 10.499 -25.876 0.365 1.00 41.44 ATOM 1675 HG11 ILE 101 11.431 -25.444 0.054 1.00 37.49 ATOM 1676 HG12 ILE 101 9.800 -25.799 -0.457 1.00 13.44 ATOM 1677 CG2 ILE 101 8.460 -25.458 1.765 1.00 73.55 ATOM 1678 HG21 ILE 101 7.905 -25.127 0.898 1.00 63.42 ATOM 1679 HG22 ILE 101 8.077 -24.968 2.638 1.00 53.31 ATOM 1680 HG23 ILE 101 8.335 -26.526 1.878 1.00 71.10 ATOM 1681 CD1 ILE 101 10.741 -27.348 0.611 1.00 75.42 ATOM 1682 HD11 ILE 101 11.160 -27.796 -0.266 1.00 71.43 ATOM 1683 HD12 ILE 101 9.805 -27.831 0.848 1.00 73.52 ATOM 1684 HD13 ILE 101 11.426 -27.467 1.438 1.00 31.42 ATOM 1685 C ILE 101 9.511 -22.908 2.620 1.00 31.31 ATOM 1686 O ILE 101 9.863 -23.174 3.770 1.00 62.11 ATOM 1687 N THR 102 8.577 -22.004 2.341 1.00 1.14 ATOM 1688 HN THR 102 8.335 -21.832 1.400 1.00 37.49 ATOM 1689 CA THR 102 7.900 -21.256 3.393 1.00 52.32 ATOM 1690 HA THR 102 8.642 -20.668 3.918 1.00 34.34 ATOM 1691 CB THR 102 6.848 -20.293 2.809 1.00 20.52 ATOM 1692 HB THR 102 6.128 -20.856 2.237 1.00 14.13 ATOM 1693 OG1 THR 102 7.478 -19.350 1.936 1.00 64.03 ATOM 1694 HG1 THR 102 8.144 -18.832 2.408 1.00 51.30 ATOM 1695 CG2 THR 102 6.116 -19.554 3.919 1.00 20.21 ATOM 1696 HG21 THR 102 5.595 -18.705 3.502 1.00 75.04 ATOM 1697 HG22 THR 102 6.824 -19.214 4.651 1.00 53.30 ATOM 1698 HG23 THR 102 5.405 -20.217 4.382 1.00 32.23 ATOM 1699 C THR 102 7.220 -22.193 4.384 1.00 72.20 ATOM 1700 O THR 102 7.691 -22.372 5.507 1.00 33.01 ATOM 1701 N SER 103 6.110 -22.790 3.961 1.00 21.20 ATOM 1702 HN SER 103 5.806 -22.665 3.034 1.00 37.49 ATOM 1703 CA SER 103 5.363 -23.708 4.813 1.00 2.25 ATOM 1704 HA SER 103 5.448 -23.375 5.841 1.00 10.02 ATOM 1705 CB SER 103 3.883 -23.707 4.426 1.00 2.12 ATOM 1706 HB1 SER 103 3.285 -23.922 5.299 1.00 37.49 ATOM 1707 HB2 SER 103 3.686 -24.450 3.663 1.00 64.04 ATOM 1708 OG SER 103 3.492 -22.446 3.910 1.00 32.43 ATOM 1709 HG SER 103 3.797 -21.738 4.485 1.00 14.21 ATOM 1710 C SER 103 5.926 -25.122 4.713 1.00 30.41 ATOM 1711 O SER 103 5.195 -26.076 4.447 1.00 14.42 ATOM 1712 N ALA 104 7.231 -25.250 4.928 1.00 3.30 ATOM 1713 HN ALA 104 7.761 -24.468 5.183 1.00 37.49 ATOM 1714 CA ALA 104 7.893 -26.547 4.864 1.00 0.11 ATOM 1715 HA ALA 104 7.548 -27.066 3.978 1.00 1.14 ATOM 1716 CB ALA 104 9.398 -26.366 4.738 1.00 44.34 ATOM 1717 HB1 ALA 104 9.609 -25.421 4.284 1.00 62.04 ATOM 1718 HB2 ALA 104 9.803 -27.154 4.122 1.00 0.51 ATOM 1719 HB3 ALA 104 9.867 -26.400 5.715 1.00 61.44 ATOM 1720 C ALA 104 7.561 -27.393 6.088 1.00 22.43 ATOM 1721 O ALA 104 7.163 -28.551 5.965 1.00 63.24 ATOM 1722 N ALA 105 7.728 -26.808 7.270 1.00 63.03 ATOM 1723 HN ALA 105 8.046 -25.874 7.306 1.00 37.49 ATOM 1724 CA ALA 105 7.445 -27.508 8.516 1.00 21.52 ATOM 1725 HA ALA 105 7.938 -28.470 8.486 1.00 4.32 ATOM 1726 CB ALA 105 8.005 -26.731 9.698 1.00 45.33 ATOM 1727 HB1 ALA 105 7.603 -25.728 9.683 1.00 61.24 ATOM 1728 HB2 ALA 105 9.079 -26.681 9.616 1.00 15.54 ATOM 1729 HB3 ALA 105 7.738 -27.203 10.620 1.00 4.20 ATOM 1730 C ALA 105 5.947 -27.734 8.691 1.00 1.22 ATOM 1731 O ALA 105 5.524 -28.723 9.289 1.00 34.22 ATOM 1732 N PHE 106 5.149 -26.810 8.167 1.00 42.54 ATOM 1733 HN PHE 106 5.538 -26.032 7.704 1.00 37.49 ATOM 1734 CA PHE 106 3.698 -26.907 8.267 1.00 53.34 ATOM 1735 HA PHE 106 3.453 -27.207 9.280 1.00 74.44 ATOM 1736 CB PHE 106 3.053 -25.551 7.970 1.00 31.05 ATOM 1737 HB1 PHE 106 2.897 -25.442 6.902 1.00 37.49 ATOM 1738 HB2 PHE 106 3.723 -24.766 8.300 1.00 74.32 ATOM 1739 CG PHE 106 1.743 -25.343 8.675 1.00 30.53 ATOM 1740 CD1 PHE 106 0.566 -25.220 7.955 1.00 34.21 ATOM 1741 HD1 PHE 106 0.592 -25.274 6.875 1.00 55.42 ATOM 1742 CD2 PHE 106 1.689 -25.272 10.058 1.00 73.21 ATOM 1743 HD2 PHE 106 2.600 -25.366 10.634 1.00 62.22 ATOM 1744 CE1 PHE 106 -0.641 -25.028 8.601 1.00 21.33 ATOM 1745 HE1 PHE 106 -1.552 -24.933 8.028 1.00 64.32 ATOM 1746 CE2 PHE 106 0.485 -25.081 10.710 1.00 51.13 ATOM 1747 HE2 PHE 106 0.456 -25.028 11.788 1.00 40.10 ATOM 1748 CZ PHE 106 -0.682 -24.960 9.980 1.00 4.13 ATOM 1749 HZ PHE 106 -1.624 -24.810 10.487 1.00 1.34 ATOM 1750 C PHE 106 3.156 -27.961 7.306 1.00 73.01 ATOM 1751 O PHE 106 2.353 -28.813 7.688 1.00 23.35 ATOM 1752 N THR 107 3.600 -27.897 6.054 1.00 14.33 ATOM 1753 HN THR 107 4.243 -27.191 5.803 1.00 37.49 ATOM 1754 CA THR 107 3.159 -28.843 5.038 1.00 71.35 ATOM 1755 HA THR 107 2.076 -28.833 5.011 1.00 52.11 ATOM 1756 CB THR 107 3.675 -28.448 3.641 1.00 61.40 ATOM 1757 HB THR 107 4.751 -28.390 3.676 1.00 30.34 ATOM 1758 OG1 THR 107 3.156 -27.166 3.271 1.00 34.22 ATOM 1759 HG1 THR 107 3.739 -26.754 2.627 1.00 21.32 ATOM 1760 CG2 THR 107 3.271 -29.484 2.602 1.00 3.41 ATOM 1761 HG21 THR 107 2.251 -29.806 2.769 1.00 1.22 ATOM 1762 HG22 THR 107 3.932 -30.333 2.658 1.00 33.23 ATOM 1763 HG23 THR 107 3.346 -29.044 1.618 1.00 31.54 ATOM 1764 C THR 107 3.631 -30.256 5.360 1.00 31.34 ATOM 1765 O THR 107 2.856 -31.212 5.291 1.00 4.32 ATOM 1766 N LEU 108 4.905 -30.383 5.714 1.00 61.11 ATOM 1767 HN LEU 108 5.482 -29.582 5.740 1.00 37.49 ATOM 1768 CA LEU 108 5.481 -31.681 6.049 1.00 52.02 ATOM 1769 HA LEU 108 5.500 -32.278 5.149 1.00 31.14 ATOM 1770 CB LEU 108 6.908 -31.508 6.571 1.00 63.54 ATOM 1771 HB1 LEU 108 7.175 -32.385 7.141 1.00 37.49 ATOM 1772 HB2 LEU 108 6.908 -30.662 7.247 1.00 45.40 ATOM 1773 CG LEU 108 7.988 -31.289 5.511 1.00 64.03 ATOM 1774 HG LEU 108 7.641 -30.569 4.796 1.00 42.24 ATOM 1775 CD1 LEU 108 9.256 -30.739 6.146 1.00 30.22 ATOM 1776 HD11 LEU 108 9.536 -29.835 5.632 1.00 11.24 ATOM 1777 HD12 LEU 108 10.064 -31.456 6.076 1.00 33.42 ATOM 1778 HD13 LEU 108 9.090 -30.505 7.190 1.00 72.02 ATOM 1779 CD2 LEU 108 8.280 -32.586 4.770 1.00 2.11 ATOM 1780 HD21 LEU 108 9.047 -32.416 4.027 1.00 34.12 ATOM 1781 HD22 LEU 108 7.383 -32.934 4.279 1.00 63.34 ATOM 1782 HD23 LEU 108 8.619 -33.335 5.470 1.00 4.41 ATOM 1783 C LEU 108 4.630 -32.402 7.090 1.00 43.41 ATOM 1784 O LEU 108 4.350 -33.593 6.960 1.00 60.31 ATOM 1785 N ARG 109 4.221 -31.670 8.121 1.00 31.12 ATOM 1786 HN ARG 109 4.486 -30.721 8.178 1.00 37.49 ATOM 1787 CA ARG 109 3.401 -32.239 9.184 1.00 23.31 ATOM 1788 HA ARG 109 3.957 -33.024 9.656 1.00 42.42 ATOM 1789 CB ARG 109 3.055 -31.168 10.219 1.00 13.43 ATOM 1790 HB1 ARG 109 2.420 -30.422 9.762 1.00 37.49 ATOM 1791 HB2 ARG 109 3.977 -30.690 10.524 1.00 35.22 ATOM 1792 CG ARG 109 2.388 -31.720 11.468 1.00 32.43 ATOM 1793 HG1 ARG 109 2.657 -31.090 12.301 1.00 37.49 ATOM 1794 HG2 ARG 109 2.725 -32.730 11.654 1.00 12.43 ATOM 1795 CD ARG 109 0.873 -31.716 11.339 1.00 33.31 ATOM 1796 HD1 ARG 109 0.460 -32.094 12.256 1.00 37.49 ATOM 1797 HD2 ARG 109 0.588 -32.367 10.539 1.00 24.32 ATOM 1798 NE ARG 109 0.347 -30.375 11.101 1.00 3.52 ATOM 1799 HE ARG 109 0.920 -29.607 11.335 1.00 53.15 ATOM 1800 CZ ARG 109 -0.857 -30.136 10.595 1.00 73.14 ATOM 1801 NH1 ARG 109 -1.657 -31.144 10.275 1.00 60.13 ATOM 1802 HH11 ARG 109 -1.383 -32.081 10.399 1.00 73.25 ATOM 1803 HH12 ARG 109 -2.565 -30.952 9.897 1.00 11.15 ATOM 1804 NH2 ARG 109 -1.264 -28.887 10.408 1.00 74.15 ATOM 1805 HH21 ARG 109 -0.664 -28.121 10.648 1.00 54.33 ATOM 1806 HH22 ARG 109 -2.172 -28.705 10.026 1.00 2.31 ATOM 1807 C ARG 109 2.122 -32.847 8.617 1.00 35.14 ATOM 1808 O ARG 109 1.682 -33.913 9.051 1.00 13.41 ATOM 1809 N THR 110 1.527 -32.162 7.645 1.00 30.23 ATOM 1810 HN THR 110 1.918 -31.311 7.337 1.00 37.49 ATOM 1811 CA THR 110 0.297 -32.633 7.020 1.00 4.24 ATOM 1812 HA THR 110 -0.379 -32.967 7.799 1.00 23.24 ATOM 1813 CB THR 110 -0.402 -31.506 6.237 1.00 44.21 ATOM 1814 HB THR 110 0.289 -31.113 5.504 1.00 10.23 ATOM 1815 OG1 THR 110 -0.782 -30.452 7.129 1.00 74.32 ATOM 1816 HG1 THR 110 -1.451 -30.754 7.754 1.00 23.14 ATOM 1817 CG2 THR 110 -1.631 -32.033 5.512 1.00 0.41 ATOM 1818 HG21 THR 110 -2.249 -31.199 5.214 1.00 5.22 ATOM 1819 HG22 THR 110 -2.201 -32.682 6.164 1.00 53.34 ATOM 1820 HG23 THR 110 -1.329 -32.580 4.631 1.00 12.21 ATOM 1821 C THR 110 0.571 -33.798 6.077 1.00 64.14 ATOM 1822 O THR 110 0.012 -34.882 6.237 1.00 73.33 ATOM 1823 N GLN 111 1.436 -33.567 5.094 1.00 50.11 ATOM 1824 HN GLN 111 1.857 -32.680 5.032 1.00 37.49 ATOM 1825 CA GLN 111 1.784 -34.599 4.124 1.00 34.14 ATOM 1826 HA GLN 111 0.906 -34.843 3.563 1.00 60.51 ATOM 1827 CB GLN 111 2.877 -34.095 3.181 1.00 1.11 ATOM 1828 HB1 GLN 111 3.062 -34.845 2.424 1.00 37.49 ATOM 1829 HB2 GLN 111 3.786 -33.933 3.745 1.00 51.50 ATOM 1830 CG GLN 111 2.523 -32.794 2.480 1.00 40.53 ATOM 1831 HG1 GLN 111 3.121 -32.703 1.586 1.00 37.49 ATOM 1832 HG2 GLN 111 2.742 -31.990 3.141 1.00 11.15 ATOM 1833 CD GLN 111 1.058 -32.717 2.097 1.00 42.41 ATOM 1834 OE1 GLN 111 0.368 -31.753 2.429 1.00 52.52 ATOM 1835 NE2 GLN 111 0.575 -33.735 1.394 1.00 4.34 ATOM 1836 HE21 GLN 111 1.163 -34.477 1.164 1.00 72.31 ATOM 1837 HE22 GLN 111 -0.368 -33.698 1.130 1.00 32.42 ATOM 1838 C GLN 111 2.248 -35.871 4.826 1.00 33.13 ATOM 1839 O GLN 111 2.013 -36.979 4.344 1.00 64.25 ATOM 1840 N TYR 112 2.907 -35.704 5.967 1.00 21.12 ATOM 1841 HN TYR 112 3.088 -34.795 6.301 1.00 37.49 ATOM 1842 CA TYR 112 3.407 -36.839 6.734 1.00 12.13 ATOM 1843 HA TYR 112 3.892 -37.526 6.052 1.00 65.21 ATOM 1844 CB TYR 112 4.435 -36.371 7.766 1.00 14.00 ATOM 1845 HB1 TYR 112 3.987 -35.599 8.378 1.00 37.49 ATOM 1846 HB2 TYR 112 5.286 -35.951 7.246 1.00 52.34 ATOM 1847 CG TYR 112 4.924 -37.474 8.677 1.00 73.31 ATOM 1848 CD1 TYR 112 4.216 -37.824 9.820 1.00 55.21 ATOM 1849 HD1 TYR 112 3.305 -37.296 10.061 1.00 23.10 ATOM 1850 CD2 TYR 112 6.094 -38.168 8.394 1.00 71.04 ATOM 1851 HD2 TYR 112 6.657 -37.915 7.528 1.00 62.40 ATOM 1852 CE1 TYR 112 4.659 -38.831 10.655 1.00 3.42 ATOM 1853 HE1 TYR 112 4.104 -39.104 11.523 1.00 70.34 ATOM 1854 CE2 TYR 112 6.544 -39.177 9.222 1.00 24.35 ATOM 1855 HE2 TYR 112 7.454 -39.700 8.984 1.00 74.22 ATOM 1856 CZ TYR 112 5.824 -39.504 10.352 1.00 30.52 ATOM 1857 OH TYR 112 6.269 -40.509 11.181 1.00 75.00 ATOM 1858 HH TYR 112 6.613 -40.139 11.993 1.00 41.22 ATOM 1859 C TYR 112 2.264 -37.570 7.433 1.00 4.42 ATOM 1860 O TYR 112 2.052 -38.762 7.218 1.00 22.50 ATOM 1861 N MET 113 1.531 -36.844 8.271 1.00 42.41 ATOM 1862 HN MET 113 1.752 -35.890 8.402 1.00 37.49 ATOM 1863 CA MET 113 0.409 -37.421 9.001 1.00 74.32 ATOM 1864 HA MET 113 0.792 -38.209 9.626 1.00 74.42 ATOM 1865 CB MET 113 -0.250 -36.363 9.888 1.00 44.32 ATOM 1866 HB1 MET 113 -0.909 -35.752 9.281 1.00 37.49 ATOM 1867 HB2 MET 113 0.525 -35.729 10.301 1.00 51.31 ATOM 1868 CG MET 113 -1.034 -36.947 11.052 1.00 65.13 ATOM 1869 HG1 MET 113 -0.372 -37.053 11.897 1.00 37.49 ATOM 1870 HG2 MET 113 -1.420 -37.920 10.776 1.00 34.31 ATOM 1871 SD MET 113 -2.425 -35.910 11.542 1.00 21.52 ATOM 1872 CE MET 113 -1.603 -34.339 11.797 1.00 73.41 ATOM 1873 HE1 MET 113 -1.091 -34.049 10.896 1.00 21.05 ATOM 1874 HE2 MET 113 -0.889 -34.433 12.602 1.00 22.22 ATOM 1875 HE3 MET 113 -2.336 -33.588 12.052 1.00 55.51 ATOM 1876 C MET 113 -0.621 -38.008 8.040 1.00 44.22 ATOM 1877 O MET 113 -1.430 -38.854 8.421 1.00 43.02 ATOM 1878 N LYS 114 -0.585 -37.553 6.792 1.00 40.20 ATOM 1879 HN LYS 114 0.024 -36.824 6.552 1.00 37.49 ATOM 1880 CA LYS 114 -1.514 -38.033 5.775 1.00 4.53 ATOM 1881 HA LYS 114 -2.522 -37.859 6.133 1.00 43.40 ATOM 1882 CB LYS 114 -1.301 -37.275 4.463 1.00 51.22 ATOM 1883 HB1 LYS 114 -1.459 -37.952 3.632 1.00 37.49 ATOM 1884 HB2 LYS 114 -0.290 -36.913 4.421 1.00 75.42 ATOM 1885 CG LYS 114 -2.233 -36.089 4.288 1.00 53.55 ATOM 1886 HG1 LYS 114 -2.048 -35.378 5.077 1.00 37.49 ATOM 1887 HG2 LYS 114 -3.257 -36.433 4.351 1.00 11.43 ATOM 1888 CD LYS 114 -2.019 -35.404 2.948 1.00 4.43 ATOM 1889 HD1 LYS 114 -0.981 -35.147 2.841 1.00 37.49 ATOM 1890 HD2 LYS 114 -2.615 -34.504 2.923 1.00 70.42 ATOM 1891 CE LYS 114 -2.428 -36.302 1.791 1.00 11.30 ATOM 1892 HE1 LYS 114 -3.231 -36.959 2.102 1.00 37.49 ATOM 1893 HE2 LYS 114 -1.581 -36.890 1.497 1.00 44.15 ATOM 1894 NZ LYS 114 -2.891 -35.514 0.615 1.00 65.34 ATOM 1895 HZ1 LYS 114 -2.130 -34.888 0.276 1.00 63.53 ATOM 1896 HZ2 LYS 114 -3.716 -34.933 0.870 1.00 53.13 ATOM 1897 HZ3 LYS 114 -3.163 -36.156 -0.157 1.00 11.54 ATOM 1898 C LYS 114 -1.341 -39.530 5.544 1.00 64.23 ATOM 1899 O LYS 114 -2.309 -40.290 5.583 1.00 25.13 ATOM 1900 N TYR 115 -0.103 -39.948 5.303 1.00 3.24 ATOM 1901 HN TYR 115 0.638 -39.298 5.294 1.00 37.49 ATOM 1902 CA TYR 115 0.196 -41.355 5.065 1.00 44.34 ATOM 1903 HA TYR 115 -0.727 -41.878 4.875 1.00 3.25 ATOM 1904 CB TYR 115 1.101 -41.505 3.840 1.00 13.21 ATOM 1905 HB1 TYR 115 1.247 -42.552 3.623 1.00 37.49 ATOM 1906 HB2 TYR 115 2.067 -41.064 4.064 1.00 20.11 ATOM 1907 CG TYR 115 0.563 -40.822 2.603 1.00 50.21 ATOM 1908 CD1 TYR 115 -0.118 -41.541 1.628 1.00 4.13 ATOM 1909 HD1 TYR 115 -0.261 -42.588 1.761 1.00 21.42 ATOM 1910 CD2 TYR 115 0.735 -39.457 2.409 1.00 12.53 ATOM 1911 HD2 TYR 115 1.260 -38.884 3.153 1.00 31.22 ATOM 1912 CE1 TYR 115 -0.610 -40.921 0.496 1.00 3.12 ATOM 1913 HE1 TYR 115 -1.142 -41.494 -0.246 1.00 64.45 ATOM 1914 CE2 TYR 115 0.245 -38.828 1.281 1.00 52.10 ATOM 1915 HE2 TYR 115 0.392 -37.767 1.149 1.00 43.41 ATOM 1916 CZ TYR 115 -0.426 -39.564 0.327 1.00 33.42 ATOM 1917 OH TYR 115 -0.916 -38.943 -0.798 1.00 53.25 ATOM 1918 HH TYR 115 -1.874 -38.870 -0.740 1.00 34.22 ATOM 1919 C TYR 115 0.864 -41.984 6.284 1.00 74.33 ATOM 1920 O TYR 115 0.415 -43.014 6.789 1.00 20.04 ATOM 1921 N LEU 116 1.938 -41.358 6.751 1.00 14.13 ATOM 1922 HN LEU 116 2.243 -40.528 6.312 1.00 37.49 ATOM 1923 CA LEU 116 2.668 -41.855 7.912 1.00 3.21 ATOM 1924 HA LEU 116 2.650 -42.939 7.886 1.00 1.24 ATOM 1925 CB LEU 116 4.127 -41.399 7.854 1.00 25.42 ATOM 1926 HB1 LEU 116 4.644 -41.789 8.723 1.00 37.49 ATOM 1927 HB2 LEU 116 4.135 -40.316 7.915 1.00 41.11 ATOM 1928 CG LEU 116 4.909 -41.809 6.606 1.00 65.32 ATOM 1929 HG LEU 116 4.351 -41.517 5.728 1.00 40.41 ATOM 1930 CD1 LEU 116 6.255 -41.102 6.562 1.00 11.43 ATOM 1931 HD11 LEU 116 6.095 -40.045 6.427 1.00 25.43 ATOM 1932 HD12 LEU 116 6.842 -41.479 5.735 1.00 14.23 ATOM 1933 HD13 LEU 116 6.788 -41.268 7.484 1.00 43.10 ATOM 1934 CD2 LEU 116 5.097 -43.319 6.566 1.00 43.10 ATOM 1935 HD21 LEU 116 4.133 -43.798 6.548 1.00 63.52 ATOM 1936 HD22 LEU 116 5.644 -43.644 7.440 1.00 33.11 ATOM 1937 HD23 LEU 116 5.647 -43.594 5.676 1.00 1.40 ATOM 1938 C LEU 116 2.024 -41.373 9.208 1.00 3.21 ATOM 1939 O LEU 116 1.894 -40.170 9.439 1.00 73.34 ATOM 1940 N TYR 117 1.626 -42.318 10.052 1.00 74.23 ATOM 1941 HN TYR 117 1.824 -43.262 9.843 1.00 37.49 ATOM 1942 CA TYR 117 0.995 -41.990 11.325 1.00 62.22 ATOM 1943 HA TYR 117 1.718 -41.462 11.930 1.00 40.43 ATOM 1944 CB TYR 117 -0.218 -41.087 11.099 1.00 12.41 ATOM 1945 HB1 TYR 117 -0.661 -41.271 10.135 1.00 37.49 ATOM 1946 HB2 TYR 117 0.126 -40.062 11.121 1.00 63.24 ATOM 1947 CG TYR 117 -1.274 -41.211 12.174 1.00 32.11 ATOM 1948 CD1 TYR 117 -2.593 -41.504 11.850 1.00 61.22 ATOM 1949 HD1 TYR 117 -2.868 -41.637 10.814 1.00 72.21 ATOM 1950 CD2 TYR 117 -0.953 -41.037 13.515 1.00 45.44 ATOM 1951 HD2 TYR 117 0.068 -40.809 13.789 1.00 32.22 ATOM 1952 CE1 TYR 117 -3.561 -41.618 12.829 1.00 61.03 ATOM 1953 HE1 TYR 117 -4.581 -41.847 12.556 1.00 41.25 ATOM 1954 CE2 TYR 117 -1.914 -41.150 14.500 1.00 23.15 ATOM 1955 HE2 TYR 117 -1.644 -41.010 15.536 1.00 4.22 ATOM 1956 CZ TYR 117 -3.216 -41.440 14.152 1.00 34.45 ATOM 1957 OH TYR 117 -4.178 -41.554 15.131 1.00 65.43 ATOM 1958 HH TYR 117 -4.415 -42.479 15.250 1.00 2.00 ATOM 1959 C TYR 117 0.571 -43.255 12.064 1.00 33.34 ATOM 1960 O TYR 117 0.986 -43.514 13.194 1.00 3.11 ATOM 1961 N PRO 118 -0.277 -44.064 11.412 1.00 34.22 ATOM 1962 CA PRO 118 -0.777 -45.317 11.987 1.00 3.22 ATOM 1963 HA PRO 118 -1.219 -45.158 12.960 1.00 71.32 ATOM 1964 CB PRO 118 -1.859 -45.755 10.997 1.00 1.02 ATOM 1965 HB1 PRO 118 -2.810 -45.375 11.334 1.00 37.49 ATOM 1966 HB2 PRO 118 -1.909 -46.829 10.926 1.00 74.55 ATOM 1967 CG PRO 118 -1.468 -45.124 9.705 1.00 32.43 ATOM 1968 HG1 PRO 118 -2.346 -44.950 9.101 1.00 37.49 ATOM 1969 HG2 PRO 118 -0.771 -45.761 9.181 1.00 31.53 ATOM 1970 CD PRO 118 -0.814 -43.819 10.063 1.00 2.40 ATOM 1971 HD1 PRO 118 -1.556 -43.058 10.060 1.00 37.49 ATOM 1972 HD2 PRO 118 -0.051 -43.605 9.346 1.00 54.44 ATOM 1973 C PRO 118 0.311 -46.380 12.093 1.00 71.43 ATOM 1974 O PRO 118 0.264 -47.245 12.968 1.00 5.22 ATOM 1975 N TYR 119 1.289 -46.311 11.196 1.00 14.22 ATOM 1976 HN TYR 119 1.275 -45.604 10.510 1.00 37.49 ATOM 1977 CA TYR 119 2.387 -47.269 11.188 1.00 62.44 ATOM 1978 HA TYR 119 1.959 -48.258 11.260 1.00 33.01 ATOM 1979 CB TYR 119 3.188 -47.147 9.890 1.00 21.41 ATOM 1980 HB1 TYR 119 3.872 -46.308 9.959 1.00 37.49 ATOM 1981 HB2 TYR 119 2.501 -46.968 9.073 1.00 14.33 ATOM 1982 CG TYR 119 3.975 -48.391 9.545 1.00 23.32 ATOM 1983 CD1 TYR 119 5.335 -48.322 9.266 1.00 33.35 ATOM 1984 HD1 TYR 119 5.833 -47.363 9.296 1.00 4.35 ATOM 1985 CD2 TYR 119 3.360 -49.636 9.499 1.00 34.21 ATOM 1986 HD2 TYR 119 2.313 -49.716 9.718 1.00 2.43 ATOM 1987 CE1 TYR 119 6.057 -49.456 8.950 1.00 25.21 ATOM 1988 HE1 TYR 119 7.108 -49.389 8.744 1.00 44.11 ATOM 1989 CE2 TYR 119 4.075 -50.776 9.185 1.00 11.32 ATOM 1990 HE2 TYR 119 3.578 -51.734 9.154 1.00 12.41 ATOM 1991 CZ TYR 119 5.423 -50.680 8.911 1.00 23.40 ATOM 1992 OH TYR 119 6.140 -51.812 8.598 1.00 62.53 ATOM 1993 HH TYR 119 6.704 -52.057 9.338 1.00 3.10 ATOM 1994 C TYR 119 3.306 -47.056 12.387 1.00 35.31 ATOM 1995 O TYR 119 3.823 -48.013 12.964 1.00 54.54 ATOM 1996 N GLU 120 3.502 -45.795 12.757 1.00 41.41 ATOM 1997 HN GLU 120 3.069 -45.065 12.255 1.00 37.49 ATOM 1998 CA GLU 120 4.358 -45.455 13.888 1.00 70.33 ATOM 1999 HA GLU 120 5.290 -45.998 13.785 1.00 33.53 ATOM 2000 CB GLU 120 4.664 -43.956 13.892 1.00 20.13 ATOM 2001 HB1 GLU 120 3.738 -43.405 13.990 1.00 37.49 ATOM 2002 HB2 GLU 120 5.116 -43.699 12.945 1.00 24.11 ATOM 2003 CG GLU 120 5.620 -43.533 14.995 1.00 34.34 ATOM 2004 HG1 GLU 120 6.157 -42.657 14.662 1.00 37.49 ATOM 2005 HG2 GLU 120 6.328 -44.329 15.189 1.00 74.20 ATOM 2006 CD GLU 120 4.904 -43.191 16.288 1.00 60.22 ATOM 2007 OE1 GLU 120 5.339 -43.675 17.354 1.00 41.24 ATOM 2008 OE2 GLU 120 3.908 -42.439 16.233 1.00 65.03 ATOM 2009 C GLU 120 3.702 -45.856 15.206 1.00 51.30 ATOM 2010 O GLU 120 4.375 -46.298 16.138 1.00 44.34 ATOM 2011 N CYS 121 2.385 -45.697 15.277 1.00 60.25 ATOM 2012 HN CYS 121 1.893 -45.335 14.503 1.00 37.49 ATOM 2013 CA CYS 121 1.637 -46.041 16.481 1.00 50.52 ATOM 2014 HA CYS 121 2.224 -45.752 17.346 1.00 23.03 ATOM 2015 CB CYS 121 0.306 -45.288 16.511 1.00 33.40 ATOM 2016 HB1 CYS 121 -0.360 -45.753 17.228 1.00 37.49 ATOM 2017 HB2 CYS 121 -0.148 -45.329 15.532 1.00 51.21 ATOM 2018 SG CYS 121 0.453 -43.546 16.971 1.00 54.13 ATOM 2019 HG CYS 121 -0.331 -43.332 18.017 1.00 30.14 ATOM 2020 C CYS 121 1.388 -47.543 16.556 1.00 32.31 ATOM 2021 O CYS 121 1.273 -48.109 17.643 1.00 42.02 ATOM 2022 N GLU 122 1.304 -48.183 15.394 1.00 74.12 ATOM 2023 HN GLU 122 1.398 -47.684 14.550 1.00 37.49 ATOM 2024 CA GLU 122 1.065 -49.620 15.329 1.00 22.21 ATOM 2025 HA GLU 122 0.344 -49.884 16.094 1.00 31.24 ATOM 2026 CB GLU 122 0.489 -50.003 13.964 1.00 23.12 ATOM 2027 HB1 GLU 122 1.205 -49.742 13.196 1.00 37.49 ATOM 2028 HB2 GLU 122 -0.405 -49.422 13.811 1.00 11.00 ATOM 2029 CG GLU 122 0.166 -51.482 13.833 1.00 0.01 ATOM 2030 HG1 GLU 122 0.658 -52.047 14.613 1.00 37.49 ATOM 2031 HG2 GLU 122 0.527 -51.830 12.882 1.00 24.23 ATOM 2032 CD GLU 122 -1.321 -51.764 13.921 1.00 32.11 ATOM 2033 OE1 GLU 122 -2.107 -50.996 13.329 1.00 55.11 ATOM 2034 OE2 GLU 122 -1.699 -52.754 14.583 1.00 65.15 ATOM 2035 C GLU 122 2.353 -50.397 15.586 1.00 20.42 ATOM 2036 O GLU 122 2.370 -51.356 16.359 1.00 51.12 ATOM 2037 N LYS 123 3.431 -49.978 14.932 1.00 11.33 ATOM 2038 HN LYS 123 3.361 -49.201 14.328 1.00 37.49 ATOM 2039 CA LYS 123 4.724 -50.632 15.089 1.00 64.01 ATOM 2040 HA LYS 123 4.558 -51.692 15.218 1.00 52.22 ATOM 2041 CB LYS 123 5.588 -50.403 13.847 1.00 65.23 ATOM 2042 HB1 LYS 123 6.610 -50.698 14.062 1.00 37.49 ATOM 2043 HB2 LYS 123 5.583 -49.356 13.605 1.00 22.24 ATOM 2044 CG LYS 123 5.121 -51.182 12.629 1.00 4.30 ATOM 2045 HG1 LYS 123 5.669 -50.831 11.766 1.00 37.49 ATOM 2046 HG2 LYS 123 4.064 -50.995 12.481 1.00 14.20 ATOM 2047 CD LYS 123 5.366 -52.672 12.793 1.00 61.43 ATOM 2048 HD1 LYS 123 5.373 -52.949 13.837 1.00 37.49 ATOM 2049 HD2 LYS 123 6.325 -52.909 12.359 1.00 74.51 ATOM 2050 CE LYS 123 4.299 -53.493 12.084 1.00 25.44 ATOM 2051 HE1 LYS 123 4.052 -53.026 11.138 1.00 37.49 ATOM 2052 HE2 LYS 123 3.418 -53.527 12.706 1.00 50.12 ATOM 2053 NZ LYS 123 4.756 -54.886 11.820 1.00 40.01 ATOM 2054 HZ1 LYS 123 5.604 -54.881 11.216 1.00 50.22 ATOM 2055 HZ2 LYS 123 4.006 -55.419 11.335 1.00 11.43 ATOM 2056 HZ3 LYS 123 4.982 -55.369 12.715 1.00 31.32 ATOM 2057 C LYS 123 5.449 -50.115 16.328 1.00 62.25 ATOM 2058 O LYS 123 6.165 -50.861 16.996 1.00 64.25 ATOM 2059 N ARG 124 5.257 -48.835 16.629 1.00 64.12 ATOM 2060 HN ARG 124 4.697 -48.271 16.052 1.00 37.49 ATOM 2061 CA ARG 124 5.893 -48.219 17.788 1.00 72.45 ATOM 2062 HA ARG 124 6.324 -48.995 18.411 1.00 62.14 ATOM 2063 CB ARG 124 6.995 -47.257 17.340 1.00 30.42 ATOM 2064 HB1 ARG 124 6.940 -46.324 17.888 1.00 37.49 ATOM 2065 HB2 ARG 124 6.858 -47.035 16.290 1.00 40.22 ATOM 2066 CG ARG 124 8.398 -47.818 17.507 1.00 33.31 ATOM 2067 HG1 ARG 124 9.093 -47.165 16.999 1.00 37.49 ATOM 2068 HG2 ARG 124 8.439 -48.802 17.059 1.00 13.41 ATOM 2069 CD ARG 124 8.791 -47.908 18.973 1.00 30.23 ATOM 2070 HD1 ARG 124 7.912 -47.939 19.595 1.00 37.49 ATOM 2071 HD2 ARG 124 9.372 -47.033 19.223 1.00 53.31 ATOM 2072 NE ARG 124 9.587 -49.100 19.254 1.00 1.14 ATOM 2073 HE ARG 124 9.710 -49.757 18.529 1.00 25.41 ATOM 2074 CZ ARG 124 10.151 -49.346 20.432 1.00 62.05 ATOM 2075 NH1 ARG 124 10.007 -48.488 21.432 1.00 51.11 ATOM 2076 HH11 ARG 124 9.478 -47.648 21.325 1.00 52.44 ATOM 2077 HH12 ARG 124 10.436 -48.682 22.317 1.00 72.23 ATOM 2078 NH2 ARG 124 10.861 -50.453 20.610 1.00 0.20 ATOM 2079 HH21 ARG 124 10.974 -51.106 19.858 1.00 33.23 ATOM 2080 HH22 ARG 124 11.288 -50.641 21.497 1.00 22.10 ATOM 2081 C ARG 124 4.868 -47.475 18.638 1.00 32.34 ATOM 2082 O ARG 124 3.674 -47.484 18.339 1.00 4.44 ATOM 2083 N GLY 125 5.343 -46.833 19.701 1.00 12.31 ATOM 2084 HN GLY 125 6.299 -46.870 19.912 1.00 37.49 ATOM 2085 CA GLY 125 4.455 -46.093 20.579 1.00 32.41 ATOM 2086 HA1 GLY 125 4.064 -46.768 21.326 1.00 37.49 ATOM 2087 HA2 GLY 125 3.627 -45.686 20.009 1.00 1.20 ATOM 2088 C GLY 125 5.155 -44.947 21.281 1.00 44.24 ATOM 2089 O GLY 125 4.934 -44.708 22.468 1.00 0.55 ATOM 2090 N LEU 126 6.004 -44.236 20.546 1.00 22.42 ATOM 2091 HN LEU 126 6.093 -44.445 19.588 1.00 37.49 ATOM 2092 CA LEU 126 6.742 -43.109 21.106 1.00 53.25 ATOM 2093 HA LEU 126 7.352 -43.477 21.920 1.00 2.20 ATOM 2094 CB LEU 126 7.656 -42.495 20.044 1.00 54.43 ATOM 2095 HB1 LEU 126 8.295 -41.786 20.548 1.00 37.49 ATOM 2096 HB2 LEU 126 7.031 -41.944 19.346 1.00 34.34 ATOM 2097 CG LEU 126 8.525 -43.476 19.257 1.00 73.31 ATOM 2098 HG LEU 126 8.139 -44.480 19.345 1.00 34.34 ATOM 2099 CD1 LEU 126 8.524 -43.123 17.778 1.00 43.42 ATOM 2100 HD11 LEU 126 7.519 -43.106 17.405 1.00 43.45 ATOM 2101 HD12 LEU 126 9.092 -43.861 17.230 1.00 25.05 ATOM 2102 HD13 LEU 126 8.974 -42.149 17.636 1.00 52.03 ATOM 2103 CD2 LEU 126 9.945 -43.488 19.804 1.00 73.31 ATOM 2104 HD21 LEU 126 10.384 -42.504 19.704 1.00 54.10 ATOM 2105 HD22 LEU 126 10.540 -44.204 19.253 1.00 15.10 ATOM 2106 HD23 LEU 126 9.929 -43.769 20.848 1.00 4.12 ATOM 2107 C LEU 126 5.788 -42.049 21.647 1.00 53.34 ATOM 2108 O LEU 126 5.884 -41.646 22.806 1.00 44.23 ATOM 2109 N SER 127 4.865 -41.603 20.800 1.00 43.51 ATOM 2110 HN SER 127 4.824 -41.968 19.885 1.00 37.49 ATOM 2111 CA SER 127 3.894 -40.588 21.192 1.00 22.04 ATOM 2112 HA SER 127 4.153 -40.212 22.171 1.00 15.15 ATOM 2113 CB SER 127 3.918 -39.420 20.205 1.00 74.15 ATOM 2114 HB1 SER 127 3.534 -38.539 20.670 1.00 37.49 ATOM 2115 HB2 SER 127 3.315 -39.656 19.338 1.00 32.04 ATOM 2116 OG SER 127 5.236 -39.155 19.759 1.00 65.31 ATOM 2117 HG SER 127 5.706 -38.643 20.423 1.00 44.43 ATOM 2118 C SER 127 2.490 -41.180 21.265 1.00 52.42 ATOM 2119 O SER 127 2.312 -42.395 21.199 1.00 64.15 ATOM 2120 N ASN 128 1.494 -40.310 21.402 1.00 44.44 ATOM 2121 HN ASN 128 1.681 -39.368 21.444 1.00 37.49 ATOM 2122 CA ASN 128 0.105 -40.745 21.484 1.00 52.32 ATOM 2123 HA ASN 128 0.046 -41.766 21.132 1.00 51.14 ATOM 2124 CB ASN 128 -0.381 -40.699 22.934 1.00 24.31 ATOM 2125 HB1 ASN 128 -1.027 -41.543 23.113 1.00 37.49 ATOM 2126 HB2 ASN 128 -0.939 -39.788 23.115 1.00 45.22 ATOM 2127 CG ASN 128 0.762 -40.777 23.929 1.00 55.43 ATOM 2128 OD1 ASN 128 1.454 -41.791 24.018 1.00 11.42 ATOM 2129 ND2 ASN 128 0.963 -39.702 24.682 1.00 2.04 ATOM 2130 HD21 ASN 128 0.380 -38.918 24.569 1.00 22.25 ATOM 2131 HD22 ASN 128 1.697 -39.733 25.331 1.00 23.54 ATOM 2132 C ASN 128 -0.791 -39.873 20.609 1.00 62.35 ATOM 2133 O ASN 128 -0.453 -38.740 20.265 1.00 24.32 ATOM 2134 N PRO 129 -1.962 -40.413 20.238 1.00 2.45 ATOM 2135 CA PRO 129 -2.931 -39.701 19.400 1.00 71.43 ATOM 2136 HA PRO 129 -2.478 -39.341 18.488 1.00 43.34 ATOM 2137 CB PRO 129 -3.969 -40.777 19.067 1.00 44.51 ATOM 2138 HB1 PRO 129 -3.712 -41.240 18.126 1.00 37.49 ATOM 2139 HB2 PRO 129 -4.962 -40.348 18.998 1.00 51.44 ATOM 2140 CG PRO 129 -3.873 -41.755 20.186 1.00 4.24 ATOM 2141 HG1 PRO 129 -4.164 -42.736 19.842 1.00 37.49 ATOM 2142 HG2 PRO 129 -4.504 -41.440 21.004 1.00 55.42 ATOM 2143 CD PRO 129 -2.430 -41.758 20.611 1.00 71.10 ATOM 2144 HD1 PRO 129 -1.881 -42.521 20.079 1.00 37.49 ATOM 2145 HD2 PRO 129 -2.371 -41.920 21.668 1.00 42.32 ATOM 2146 C PRO 129 -3.587 -38.536 20.133 1.00 74.53 ATOM 2147 O PRO 129 -4.251 -37.701 19.521 1.00 75.12 ATOM 2148 N ASN 130 -3.396 -38.487 21.447 1.00 34.41 ATOM 2149 HN ASN 130 -2.890 -39.191 21.901 1.00 37.49 ATOM 2150 CA ASN 130 -3.971 -37.424 22.264 1.00 65.13 ATOM 2151 HA ASN 130 -4.931 -37.143 21.841 1.00 32.52 ATOM 2152 CB ASN 130 -4.178 -37.911 23.699 1.00 0.34 ATOM 2153 HB1 ASN 130 -4.103 -37.074 24.384 1.00 37.49 ATOM 2154 HB2 ASN 130 -3.413 -38.632 23.952 1.00 1.34 ATOM 2155 CG ASN 130 -5.540 -38.546 23.903 1.00 23.33 ATOM 2156 OD1 ASN 130 -6.551 -37.853 24.009 1.00 53.30 ATOM 2157 ND2 ASN 130 -5.571 -39.873 23.960 1.00 43.30 ATOM 2158 HD21 ASN 130 -4.731 -40.378 23.870 1.00 34.23 ATOM 2159 HD22 ASN 130 -6.442 -40.302 24.092 1.00 51.35 ATOM 2160 C ASN 130 -3.074 -36.189 22.258 1.00 72.52 ATOM 2161 O ASN 130 -3.547 -35.069 22.074 1.00 51.50 ATOM 2162 N GLU 131 -1.778 -36.405 22.460 1.00 40.13 ATOM 2163 HN GLU 131 -1.472 -37.324 22.624 1.00 37.49 ATOM 2164 CA GLU 131 -0.816 -35.309 22.478 1.00 60.33 ATOM 2165 HA GLU 131 -1.188 -34.540 23.144 1.00 25.50 ATOM 2166 CB GLU 131 0.536 -35.797 23.002 1.00 63.13 ATOM 2167 HB1 GLU 131 0.414 -36.112 24.028 1.00 37.49 ATOM 2168 HB2 GLU 131 1.243 -34.977 22.972 1.00 43.12 ATOM 2169 CG GLU 131 1.109 -36.964 22.215 1.00 43.45 ATOM 2170 HG1 GLU 131 1.111 -36.732 21.171 1.00 37.49 ATOM 2171 HG2 GLU 131 0.489 -37.829 22.383 1.00 5.11 ATOM 2172 CD GLU 131 2.525 -37.310 22.633 1.00 70.43 ATOM 2173 OE1 GLU 131 2.765 -38.477 23.007 1.00 72.22 ATOM 2174 OE2 GLU 131 3.393 -36.414 22.585 1.00 3.24 ATOM 2175 C GLU 131 -0.648 -34.710 21.084 1.00 23.04 ATOM 2176 O GLU 131 -0.431 -33.507 20.936 1.00 50.43 ATOM 2177 N LEU 132 -0.748 -35.557 20.066 1.00 33.54 ATOM 2178 HN LEU 132 -0.898 -36.515 20.241 1.00 37.49 ATOM 2179 CA LEU 132 -0.607 -35.113 18.684 1.00 30.11 ATOM 2180 HA LEU 132 0.413 -34.797 18.541 1.00 12.03 ATOM 2181 CB LEU 132 -0.919 -36.262 17.724 1.00 75.21 ATOM 2182 HB1 LEU 132 -1.913 -36.623 17.955 1.00 37.49 ATOM 2183 HB2 LEU 132 -0.217 -37.062 17.921 1.00 71.15 ATOM 2184 CG LEU 132 -0.866 -35.925 16.233 1.00 14.45 ATOM 2185 HG LEU 132 -1.568 -35.143 16.027 1.00 0.34 ATOM 2186 CD1 LEU 132 0.525 -35.450 15.843 1.00 73.11 ATOM 2187 HD11 LEU 132 0.792 -34.575 16.417 1.00 71.11 ATOM 2188 HD12 LEU 132 0.536 -35.196 14.792 1.00 13.53 ATOM 2189 HD13 LEU 132 1.244 -36.235 16.025 1.00 74.23 ATOM 2190 CD2 LEU 132 -1.275 -37.130 15.399 1.00 43.32 ATOM 2191 HD21 LEU 132 -2.276 -37.435 15.670 1.00 45.02 ATOM 2192 HD22 LEU 132 -0.590 -37.948 15.577 1.00 1.53 ATOM 2193 HD23 LEU 132 -1.255 -36.869 14.350 1.00 61.03 ATOM 2194 C LEU 132 -1.526 -33.930 18.396 1.00 62.22 ATOM 2195 O LEU 132 -1.080 -32.889 17.914 1.00 63.52 ATOM 2196 N GLN 133 -2.810 -34.098 18.696 1.00 4.32 ATOM 2197 HN GLN 133 -3.108 -34.959 19.078 1.00 37.49 ATOM 2198 CA GLN 133 -3.790 -33.043 18.470 1.00 14.33 ATOM 2199 HA GLN 133 -3.856 -32.895 17.406 1.00 23.40 ATOM 2200 CB GLN 133 -5.156 -33.460 19.019 1.00 23.53 ATOM 2201 HB1 GLN 133 -5.146 -33.391 20.099 1.00 37.49 ATOM 2202 HB2 GLN 133 -5.342 -34.490 18.744 1.00 73.34 ATOM 2203 CG GLN 133 -6.306 -32.613 18.499 1.00 23.23 ATOM 2204 HG1 GLN 133 -6.088 -31.570 18.686 1.00 37.49 ATOM 2205 HG2 GLN 133 -7.204 -32.890 19.032 1.00 3.21 ATOM 2206 CD GLN 133 -6.550 -32.808 17.016 1.00 43.22 ATOM 2207 OE1 GLN 133 -7.365 -33.638 16.613 1.00 51.13 ATOM 2208 NE2 GLN 133 -5.843 -32.041 16.194 1.00 64.43 ATOM 2209 HE21 GLN 133 -5.207 -31.392 16.571 1.00 14.31 ATOM 2210 HE22 GLN 133 -5.985 -32.154 15.231 1.00 44.30 ATOM 2211 C GLN 133 -3.345 -31.737 19.121 1.00 33.21 ATOM 2212 O GLN 133 -3.318 -30.689 18.477 1.00 62.00 ATOM 2213 N ALA 134 -2.998 -31.809 20.402 1.00 41.41 ATOM 2214 HN ALA 134 -3.042 -32.680 20.866 1.00 37.49 ATOM 2215 CA ALA 134 -2.553 -30.633 21.139 1.00 5.14 ATOM 2216 HA ALA 134 -3.350 -29.900 21.120 1.00 65.55 ATOM 2217 CB ALA 134 -2.281 -30.993 22.593 1.00 52.24 ATOM 2218 HB1 ALA 134 -2.007 -30.104 23.143 1.00 74.33 ATOM 2219 HB2 ALA 134 -1.476 -31.712 22.646 1.00 11.53 ATOM 2220 HB3 ALA 134 -3.172 -31.422 23.027 1.00 71.25 ATOM 2221 C ALA 134 -1.308 -30.024 20.502 1.00 11.01 ATOM 2222 O ALA 134 -1.137 -28.805 20.492 1.00 34.33 ATOM 2223 N ALA 135 -0.441 -30.880 19.971 1.00 34.34 ATOM 2224 HN ALA 135 -0.619 -31.849 20.020 1.00 37.49 ATOM 2225 CA ALA 135 0.787 -30.426 19.331 1.00 33.10 ATOM 2226 HA ALA 135 1.347 -29.840 20.049 1.00 34.04 ATOM 2227 CB ALA 135 1.644 -31.617 18.929 1.00 71.03 ATOM 2228 HB1 ALA 135 2.631 -31.272 18.658 1.00 23.25 ATOM 2229 HB2 ALA 135 1.201 -32.128 18.087 1.00 71.51 ATOM 2230 HB3 ALA 135 1.720 -32.301 19.761 1.00 0.34 ATOM 2231 C ALA 135 0.483 -29.556 18.116 1.00 31.01 ATOM 2232 O ALA 135 1.020 -28.456 17.979 1.00 73.43 ATOM 2233 N ILE 136 -0.380 -30.055 17.237 1.00 23.54 ATOM 2234 HN ILE 136 -0.779 -30.943 17.402 1.00 37.49 ATOM 2235 CA ILE 136 -0.754 -29.323 16.034 1.00 14.24 ATOM 2236 HA ILE 136 0.150 -29.088 15.484 1.00 52.32 ATOM 2237 CB ILE 136 -1.669 -30.164 15.125 1.00 73.01 ATOM 2238 HB ILE 136 -2.540 -30.444 15.700 1.00 13.14 ATOM 2239 CG1 ILE 136 -0.933 -31.415 14.641 1.00 40.23 ATOM 2240 HG11 ILE 136 0.082 -31.425 15.019 1.00 37.49 ATOM 2241 HG12 ILE 136 -0.900 -31.422 13.563 1.00 21.40 ATOM 2242 CG2 ILE 136 -2.149 -29.334 13.943 1.00 30.52 ATOM 2243 HG21 ILE 136 -2.867 -28.600 14.275 1.00 2.50 ATOM 2244 HG22 ILE 136 -2.625 -29.978 13.214 1.00 55.40 ATOM 2245 HG23 ILE 136 -1.310 -28.833 13.478 1.00 22.23 ATOM 2246 CD1 ILE 136 -1.591 -32.707 15.070 1.00 21.51 ATOM 2247 HD11 ILE 136 -2.345 -32.529 15.825 1.00 54.44 ATOM 2248 HD12 ILE 136 -0.839 -33.339 15.474 1.00 22.23 ATOM 2249 HD13 ILE 136 -2.044 -33.184 14.217 1.00 1.41 ATOM 2250 C ILE 136 -1.464 -28.019 16.383 1.00 5.34 ATOM 2251 O ILE 136 -1.111 -26.954 15.876 1.00 14.41 ATOM 2252 N ASP 137 -2.463 -28.110 17.254 1.00 42.11 ATOM 2253 HN ASP 137 -2.704 -28.994 17.622 1.00 37.49 ATOM 2254 CA ASP 137 -3.220 -26.937 17.674 1.00 54.31 ATOM 2255 HA ASP 137 -3.753 -26.558 16.813 1.00 33.12 ATOM 2256 CB ASP 137 -4.233 -27.317 18.755 1.00 73.42 ATOM 2257 HB1 ASP 137 -3.765 -27.986 19.464 1.00 37.49 ATOM 2258 HB2 ASP 137 -5.071 -27.818 18.294 1.00 34.11 ATOM 2259 CG ASP 137 -4.755 -26.111 19.510 1.00 4.15 ATOM 2260 OD1 ASP 137 -5.759 -25.520 19.063 1.00 12.21 ATOM 2261 OD2 ASP 137 -4.157 -25.757 20.549 1.00 73.31 ATOM 2262 C ASP 137 -2.289 -25.846 18.194 1.00 51.14 ATOM 2263 O ASP 137 -2.395 -24.685 17.798 1.00 33.04 ATOM 2264 N SER 138 -1.377 -26.227 19.083 1.00 74.35 ATOM 2265 HN SER 138 -1.343 -27.173 19.365 1.00 37.49 ATOM 2266 CA SER 138 -0.430 -25.281 19.660 1.00 14.23 ATOM 2267 HA SER 138 -0.991 -24.536 20.207 1.00 74.31 ATOM 2268 CB SER 138 0.513 -25.998 20.628 1.00 45.43 ATOM 2269 HB1 SER 138 1.353 -25.357 20.867 1.00 37.49 ATOM 2270 HB2 SER 138 0.876 -26.906 20.170 1.00 34.13 ATOM 2271 OG SER 138 -0.150 -26.330 21.835 1.00 4.53 ATOM 2272 HG SER 138 -0.670 -27.128 21.709 1.00 72.10 ATOM 2273 C SER 138 0.375 -24.584 18.568 1.00 4.45 ATOM 2274 O SER 138 0.810 -23.445 18.734 1.00 10.32 ATOM 2275 N ASN 139 0.571 -25.277 17.452 1.00 75.14 ATOM 2276 HN ASN 139 0.242 -26.197 17.385 1.00 37.49 ATOM 2277 CA ASN 139 1.325 -24.726 16.332 1.00 54.25 ATOM 2278 HA ASN 139 2.181 -24.188 16.727 1.00 40.30 ATOM 2279 CB ASN 139 1.813 -25.850 15.416 1.00 73.13 ATOM 2280 HB1 ASN 139 1.830 -25.510 14.387 1.00 37.49 ATOM 2281 HB2 ASN 139 1.156 -26.698 15.489 1.00 13.41 ATOM 2282 CG ASN 139 3.212 -26.316 15.768 1.00 62.23 ATOM 2283 OD1 ASN 139 4.153 -26.128 14.997 1.00 63.44 ATOM 2284 ND2 ASN 139 3.355 -26.928 16.938 1.00 61.04 ATOM 2285 HD21 ASN 139 2.567 -27.051 17.514 1.00 12.04 ATOM 2286 HD22 ASN 139 4.252 -27.237 17.184 1.00 63.03 ATOM 2287 C ASN 139 0.474 -23.740 15.536 1.00 5.22 ATOM 2288 O ASN 139 0.933 -22.653 15.184 1.00 52.13 ATOM 2289 N ARG 140 -0.766 -24.127 15.258 1.00 50.24 ATOM 2290 HN ARG 140 -1.080 -24.999 15.592 1.00 37.49 ATOM 2291 CA ARG 140 -1.680 -23.278 14.504 1.00 52.44 ATOM 2292 HA ARG 140 -1.204 -23.014 13.569 1.00 0.23 ATOM 2293 CB ARG 140 -2.976 -24.031 14.199 1.00 70.33 ATOM 2294 HB1 ARG 140 -3.525 -23.472 13.454 1.00 37.49 ATOM 2295 HB2 ARG 140 -3.573 -24.090 15.103 1.00 75.24 ATOM 2296 CG ARG 140 -2.753 -25.450 13.700 1.00 3.24 ATOM 2297 HG1 ARG 140 -2.992 -26.139 14.496 1.00 37.49 ATOM 2298 HG2 ARG 140 -1.721 -25.586 13.403 1.00 22.44 ATOM 2299 CD ARG 140 -3.637 -25.766 12.504 1.00 12.15 ATOM 2300 HD1 ARG 140 -3.307 -26.711 12.098 1.00 37.49 ATOM 2301 HD2 ARG 140 -3.518 -24.993 11.755 1.00 1.21 ATOM 2302 NE ARG 140 -5.046 -25.863 12.876 1.00 31.33 ATOM 2303 HE ARG 140 -5.329 -25.448 13.724 1.00 54.41 ATOM 2304 CZ ARG 140 -5.962 -26.472 12.131 1.00 14.34 ATOM 2305 NH1 ARG 140 -5.619 -27.034 10.981 1.00 54.03 ATOM 2306 HH11 ARG 140 -4.681 -27.013 10.647 1.00 42.12 ATOM 2307 HH12 ARG 140 -6.318 -27.494 10.429 1.00 11.52 ATOM 2308 NH2 ARG 140 -7.225 -26.519 12.537 1.00 2.24 ATOM 2309 HH21 ARG 140 -7.491 -26.096 13.406 1.00 30.24 ATOM 2310 HH22 ARG 140 -7.918 -26.978 11.977 1.00 5.42 ATOM 2311 C ARG 140 -1.993 -21.998 15.273 1.00 2.42 ATOM 2312 O ARG 140 -2.231 -20.946 14.678 1.00 24.32 ATOM 2313 N ARG 141 -1.991 -22.095 16.599 1.00 40.34 ATOM 2314 HN ARG 141 -1.805 -22.963 17.026 1.00 37.49 ATOM 2315 CA ARG 141 -2.276 -20.945 17.449 1.00 30.53 ATOM 2316 HA ARG 141 -3.189 -20.480 17.099 1.00 13.42 ATOM 2317 CB ARG 141 -2.481 -21.394 18.897 1.00 21.33 ATOM 2318 HB1 ARG 141 -1.594 -21.919 19.225 1.00 37.49 ATOM 2319 HB2 ARG 141 -3.323 -22.071 18.933 1.00 62.11 ATOM 2320 CG ARG 141 -2.748 -20.247 19.858 1.00 32.53 ATOM 2321 HG1 ARG 141 -3.679 -19.773 19.583 1.00 37.49 ATOM 2322 HG2 ARG 141 -1.945 -19.528 19.794 1.00 35.24 ATOM 2323 CD ARG 141 -2.832 -20.734 21.297 1.00 51.03 ATOM 2324 HD1 ARG 141 -2.108 -20.194 21.891 1.00 37.49 ATOM 2325 HD2 ARG 141 -2.598 -21.792 21.341 1.00 61.11 ATOM 2326 NE ARG 141 -4.163 -20.535 21.865 1.00 5.21 ATOM 2327 HE ARG 141 -4.727 -21.331 21.981 1.00 15.55 ATOM 2328 CZ ARG 141 -4.637 -19.348 22.226 1.00 55.12 ATOM 2329 NH1 ARG 141 -3.894 -18.260 22.077 1.00 15.13 ATOM 2330 HH11 ARG 141 -2.974 -18.299 21.698 1.00 24.45 ATOM 2331 HH12 ARG 141 -4.264 -17.370 22.352 1.00 60.14 ATOM 2332 NH2 ARG 141 -5.858 -19.248 22.736 1.00 54.53 ATOM 2333 HH21 ARG 141 -6.425 -20.066 22.850 1.00 45.52 ATOM 2334 HH22 ARG 141 -6.218 -18.354 23.010 1.00 62.11 ATOM 2335 C ARG 141 -1.146 -19.922 17.378 1.00 71.55 ATOM 2336 O ARG 141 -1.384 -18.737 17.149 1.00 3.14 ATOM 2337 N GLU 142 0.082 -20.390 17.575 1.00 65.44 ATOM 2338 HN GLU 142 0.209 -21.352 17.759 1.00 37.49 ATOM 2339 CA GLU 142 1.248 -19.515 17.534 1.00 62.45 ATOM 2340 HA GLU 142 1.173 -18.831 18.372 1.00 55.33 ATOM 2341 CB GLU 142 2.534 -20.335 17.662 1.00 73.21 ATOM 2342 HB1 GLU 142 3.346 -19.819 17.162 1.00 37.49 ATOM 2343 HB2 GLU 142 2.386 -21.293 17.179 1.00 35.44 ATOM 2344 CG GLU 142 2.961 -20.576 19.100 1.00 32.40 ATOM 2345 HG1 GLU 142 2.097 -20.868 19.683 1.00 37.49 ATOM 2346 HG2 GLU 142 3.369 -19.660 19.499 1.00 33.43 ATOM 2347 CD GLU 142 4.010 -21.664 19.222 1.00 22.04 ATOM 2348 OE1 GLU 142 4.805 -21.832 18.274 1.00 0.31 ATOM 2349 OE2 GLU 142 4.036 -22.347 20.267 1.00 23.45 ATOM 2350 C GLU 142 1.275 -18.706 16.240 1.00 3.33 ATOM 2351 O GLU 142 0.973 -19.222 15.165 1.00 23.03 ATOM 2352 N GLY 143 1.639 -17.432 16.354 1.00 42.21 ATOM 2353 HN GLY 143 1.872 -17.063 17.236 1.00 37.49 ATOM 2354 CA GLY 143 1.699 -16.570 15.188 1.00 74.45 ATOM 2355 HA1 GLY 143 1.579 -17.148 14.280 1.00 37.49 ATOM 2356 HA2 GLY 143 2.675 -16.107 15.162 1.00 0.14 ATOM 2357 C GLY 143 0.637 -15.488 15.211 1.00 25.24 ATOM 2358 O GLY 143 -0.553 -15.774 15.084 1.00 32.22 ATOM 2359 N ARG 144 1.069 -14.242 15.376 1.00 30.14 ATOM 2360 HN ARG 144 2.035 -14.071 15.475 1.00 37.49 ATOM 2361 CA ARG 144 0.147 -13.114 15.420 1.00 52.34 ATOM 2362 HA ARG 144 -0.778 -13.391 14.930 1.00 63.43 ATOM 2363 CB ARG 144 -0.162 -12.735 16.869 1.00 22.14 ATOM 2364 HB1 ARG 144 -0.646 -13.582 17.334 1.00 37.49 ATOM 2365 HB2 ARG 144 -0.853 -11.907 16.891 1.00 64.34 ATOM 2366 CG ARG 144 1.075 -12.410 17.690 1.00 1.35 ATOM 2367 HG1 ARG 144 1.949 -12.883 17.268 1.00 37.49 ATOM 2368 HG2 ARG 144 0.924 -12.781 18.691 1.00 40.35 ATOM 2369 CD ARG 144 1.318 -10.910 17.762 1.00 35.23 ATOM 2370 HD1 ARG 144 1.480 -10.537 16.779 1.00 37.49 ATOM 2371 HD2 ARG 144 2.210 -10.732 18.346 1.00 22.00 ATOM 2372 NE ARG 144 0.192 -10.202 18.367 1.00 25.32 ATOM 2373 HE ARG 144 -0.406 -9.708 17.764 1.00 23.03 ATOM 2374 CZ ARG 144 -0.056 -10.196 19.672 1.00 1.01 ATOM 2375 NH1 ARG 144 0.738 -10.856 20.505 1.00 55.15 ATOM 2376 HH11 ARG 144 1.531 -11.365 20.184 1.00 62.13 ATOM 2377 HH12 ARG 144 0.538 -10.845 21.487 1.00 50.51 ATOM 2378 NH2 ARG 144 -1.100 -9.528 20.147 1.00 64.11 ATOM 2379 HH21 ARG 144 -1.703 -9.027 19.523 1.00 22.34 ATOM 2380 HH22 ARG 144 -1.289 -9.522 21.131 1.00 63.12 ATOM 2381 C ARG 144 0.725 -11.910 14.681 1.00 61.44 ATOM 2382 O ARG 144 1.805 -11.990 14.095 1.00 51.43 ATOM 2383 N ARG 145 -0.001 -10.798 14.712 1.00 14.03 ATOM 2384 HN ARG 145 -0.866 -10.790 15.181 1.00 37.49 ATOM 2385 HA ARG 145 1.077 -9.850 13.209 1.00 12.01 ATOM 2386 CB ARG 145 -0.766 -8.800 13.514 1.00 55.31 ATOM 2387 HB1 ARG 145 -0.557 -7.735 13.539 1.00 37.49 ATOM 2388 HB2 ARG 145 -1.618 -8.993 14.152 1.00 3.51 ATOM 2389 CG ARG 145 -1.156 -9.174 12.093 1.00 12.51 ATOM 2390 HG1 ARG 145 -2.167 -8.839 11.913 1.00 37.49 ATOM 2391 HG2 ARG 145 -1.108 -10.248 11.974 1.00 23.22 ATOM 2392 CD ARG 145 -0.236 -8.522 11.073 1.00 4.22 ATOM 2393 HD1 ARG 145 -0.412 -8.998 10.118 1.00 37.49 ATOM 2394 HD2 ARG 145 0.795 -8.676 11.364 1.00 54.44 ATOM 2395 NE ARG 145 -0.488 -7.089 10.945 1.00 71.24 ATOM 2396 HE ARG 145 -1.054 -6.657 11.627 1.00 5.53 ATOM 2397 CZ ARG 145 0.007 -6.341 9.965 1.00 2.44 ATOM 2398 NH1 ARG 145 0.777 -6.886 9.034 1.00 60.10 ATOM 2399 HH11 ARG 145 1.003 -7.857 9.046 1.00 60.51 ATOM 2400 HH12 ARG 145 1.143 -6.313 8.298 1.00 73.40 ATOM 2401 NH2 ARG 145 -0.268 -5.043 9.916 1.00 22.43 ATOM 2402 HH21 ARG 145 -0.849 -4.624 10.617 1.00 40.34 ATOM 2403 HH22 ARG 145 0.104 -4.476 9.178 1.00 4.02 ATOM 2404 CA ARG 145 0.438 -9.579 14.044 1.00 24.13 ATOM 2405 C ARG 145 1.248 -8.701 14.994 1.00 41.45 ATOM 2406 OT1 ARG 145 2.428 -8.427 14.684 1.00 37.49 ATOM 2407 OT2 ARG 145 0.704 -8.299 16.048 1.00 37.49 ATOM 2408 OH2 TIP3 1 -1.403 -52.952 -15.799 0.00 0.00 WAT1 ATOM 2409 H1 TIP3 1 -1.452 -53.907 -15.836 0.00 0.00 WAT1 ATOM 2410 H2 TIP3 1 -2.229 -52.684 -15.397 0.00 0.00 WAT1 ATOM 2411 OH2 TIP3 2 -4.121 -49.084 -14.692 0.00 0.00 WAT1 ATOM 2412 H1 TIP3 2 -3.921 -48.660 -15.527 0.00 0.00 WAT1 ATOM 2413 H2 TIP3 2 -3.465 -48.741 -14.085 0.00 0.00 WAT1 ATOM 2414 OH2 TIP3 3 -5.678 -51.326 -17.012 0.00 0.00 WAT1 ATOM 2415 H1 TIP3 3 -6.280 -51.881 -17.507 0.00 0.00 WAT1 ATOM 2416 H2 TIP3 3 -5.397 -50.659 -17.638 0.00 0.00 WAT1 ATOM 2417 OH2 TIP3 4 -7.520 -53.102 -14.468 0.00 0.00 WAT1 ATOM 2418 H1 TIP3 4 -7.871 -53.958 -14.225 0.00 0.00 WAT1 ATOM 2419 H2 TIP3 4 -6.794 -52.959 -13.861 0.00 0.00 WAT1 ATOM 2420 OH2 TIP3 5 -1.692 -50.422 -20.816 0.00 0.00 WAT1 ATOM 2421 H1 TIP3 5 -1.714 -50.237 -19.877 0.00 0.00 WAT1 ATOM 2422 H2 TIP3 5 -1.002 -49.853 -21.157 0.00 0.00 WAT1 ATOM 2423 OH2 TIP3 6 -2.129 -50.855 -17.894 0.00 0.00 WAT1 ATOM 2424 H1 TIP3 6 -2.616 -51.590 -18.265 0.00 0.00 WAT1 ATOM 2425 H2 TIP3 6 -1.580 -51.248 -17.216 0.00 0.00 WAT1 ATOM 2426 OH2 TIP3 7 -3.678 -55.065 -13.256 0.00 0.00 WAT1 ATOM 2427 H1 TIP3 7 -4.544 -55.170 -12.862 0.00 0.00 WAT1 ATOM 2428 H2 TIP3 7 -3.302 -54.306 -12.809 0.00 0.00 WAT1 ATOM 2429 OH2 TIP3 8 -7.959 -49.744 -16.239 0.00 0.00 WAT1 ATOM 2430 H1 TIP3 8 -7.282 -50.376 -16.479 0.00 0.00 WAT1 ATOM 2431 H2 TIP3 8 -7.637 -49.342 -15.431 0.00 0.00 WAT1 ATOM 2432 OH2 TIP3 9 -5.103 -49.236 -18.949 0.00 0.00 WAT1 ATOM 2433 H1 TIP3 9 -5.285 -48.320 -19.160 0.00 0.00 WAT1 ATOM 2434 H2 TIP3 9 -4.927 -49.646 -19.796 0.00 0.00 WAT1 ATOM 2435 OH2 TIP3 10 -3.756 -51.801 -15.086 0.00 0.00 WAT1 ATOM 2436 H1 TIP3 10 -4.538 -51.987 -15.606 0.00 0.00 WAT1 ATOM 2437 H2 TIP3 10 -3.828 -50.872 -14.869 0.00 0.00 WAT1 ATOM 2438 OH2 TIP3 11 -5.567 -55.721 -4.479 0.00 0.00 WAT1 ATOM 2439 H1 TIP3 11 -6.008 -56.441 -4.029 0.00 0.00 WAT1 ATOM 2440 H2 TIP3 11 -5.580 -55.000 -3.849 0.00 0.00 WAT1 ATOM 2441 OH2 TIP3 12 -10.884 -56.227 -2.375 0.00 0.00 WAT1 ATOM 2442 H1 TIP3 12 -10.580 -56.913 -2.969 0.00 0.00 WAT1 ATOM 2443 H2 TIP3 12 -10.162 -56.109 -1.757 0.00 0.00 WAT1 ATOM 2444 OH2 TIP3 13 -1.829 -63.148 0.722 0.00 0.00 WAT1 ATOM 2445 H1 TIP3 13 -2.518 -62.490 0.627 0.00 0.00 WAT1 ATOM 2446 H2 TIP3 13 -1.814 -63.345 1.659 0.00 0.00 WAT1 ATOM 2447 OH2 TIP3 14 -8.409 -55.314 -7.157 0.00 0.00 WAT1 ATOM 2448 H1 TIP3 14 -8.705 -55.636 -8.008 0.00 0.00 WAT1 ATOM 2449 H2 TIP3 14 -8.733 -54.414 -7.115 0.00 0.00 WAT1 ATOM 2450 OH2 TIP3 15 -6.803 -52.100 -5.506 0.00 0.00 WAT1 ATOM 2451 H1 TIP3 15 -6.378 -52.807 -5.991 0.00 0.00 WAT1 ATOM 2452 H2 TIP3 15 -6.486 -51.299 -5.923 0.00 0.00 WAT1 ATOM 2453 OH2 TIP3 16 -5.644 -54.199 -6.997 0.00 0.00 WAT1 ATOM 2454 H1 TIP3 16 -5.901 -54.889 -7.609 0.00 0.00 WAT1 ATOM 2455 H2 TIP3 16 -5.573 -54.642 -6.152 0.00 0.00 WAT1 ATOM 2456 OH2 TIP3 17 -2.116 -59.293 -0.454 0.00 0.00 WAT1 ATOM 2457 H1 TIP3 17 -2.768 -58.598 -0.365 0.00 0.00 WAT1 ATOM 2458 H2 TIP3 17 -1.651 -59.083 -1.264 0.00 0.00 WAT1 ATOM 2459 OH2 TIP3 18 -6.182 -60.287 1.272 0.00 0.00 WAT1 ATOM 2460 H1 TIP3 18 -6.102 -59.524 1.844 0.00 0.00 WAT1 ATOM 2461 H2 TIP3 18 -6.783 -60.008 0.581 0.00 0.00 WAT1 ATOM 2462 OH2 TIP3 19 -13.187 -54.663 2.437 0.00 0.00 WAT1 ATOM 2463 H1 TIP3 19 -13.499 -53.881 2.893 0.00 0.00 WAT1 ATOM 2464 H2 TIP3 19 -13.837 -54.816 1.751 0.00 0.00 WAT1 ATOM 2465 OH2 TIP3 20 -9.482 -52.562 -6.676 0.00 0.00 WAT1 ATOM 2466 H1 TIP3 20 -9.008 -52.267 -5.898 0.00 0.00 WAT1 ATOM 2467 H2 TIP3 20 -10.045 -51.824 -6.909 0.00 0.00 WAT1 ATOM 2468 OH2 TIP3 21 -14.948 -52.591 3.201 0.00 0.00 WAT1 ATOM 2469 H1 TIP3 21 -14.940 -52.727 2.253 0.00 0.00 WAT1 ATOM 2470 H2 TIP3 21 -15.864 -52.709 3.453 0.00 0.00 WAT1 ATOM 2471 OH2 TIP3 22 -2.320 -53.183 -11.921 0.00 0.00 WAT1 ATOM 2472 H1 TIP3 22 -2.247 -52.244 -11.751 0.00 0.00 WAT1 ATOM 2473 H2 TIP3 22 -1.415 -53.488 -11.978 0.00 0.00 WAT1 ATOM 2474 OH2 TIP3 23 -10.424 -53.378 1.933 0.00 0.00 WAT1 ATOM 2475 H1 TIP3 23 -10.337 -52.552 2.408 0.00 0.00 WAT1 ATOM 2476 H2 TIP3 23 -11.288 -53.708 2.182 0.00 0.00 WAT1 ATOM 2477 OH2 TIP3 24 -10.010 -49.606 -8.261 0.00 0.00 WAT1 ATOM 2478 H1 TIP3 24 -10.085 -49.727 -9.207 0.00 0.00 WAT1 ATOM 2479 H2 TIP3 24 -9.977 -48.656 -8.142 0.00 0.00 WAT1 ATOM 2480 OH2 TIP3 25 -6.908 -50.452 -11.258 0.00 0.00 WAT1 ATOM 2481 H1 TIP3 25 -6.533 -51.196 -11.729 0.00 0.00 WAT1 ATOM 2482 H2 TIP3 25 -6.904 -50.722 -10.340 0.00 0.00 WAT1 ATOM 2483 OH2 TIP3 26 -7.239 -50.526 -8.509 0.00 0.00 WAT1 ATOM 2484 H1 TIP3 26 -8.174 -50.426 -8.330 0.00 0.00 WAT1 ATOM 2485 H2 TIP3 26 -6.959 -51.235 -7.931 0.00 0.00 WAT1 ATOM 2486 OH2 TIP3 27 -4.251 -61.459 3.537 0.00 0.00 WAT1 ATOM 2487 H1 TIP3 27 -4.658 -60.978 2.817 0.00 0.00 WAT1 ATOM 2488 H2 TIP3 27 -4.210 -62.364 3.230 0.00 0.00 WAT1 ATOM 2489 OH2 TIP3 28 -6.494 -63.127 1.758 0.00 0.00 WAT1 ATOM 2490 H1 TIP3 28 -7.008 -63.253 2.555 0.00 0.00 WAT1 ATOM 2491 H2 TIP3 28 -6.649 -62.215 1.513 0.00 0.00 WAT1 ATOM 2492 OH2 TIP3 29 -9.757 -60.827 3.842 0.00 0.00 WAT1 ATOM 2493 H1 TIP3 29 -10.320 -61.531 4.162 0.00 0.00 WAT1 ATOM 2494 H2 TIP3 29 -8.931 -60.947 4.309 0.00 0.00 WAT1 ATOM 2495 OH2 TIP3 30 -8.591 -59.918 -0.161 0.00 0.00 WAT1 ATOM 2496 H1 TIP3 30 -8.267 -60.549 -0.804 0.00 0.00 WAT1 ATOM 2497 H2 TIP3 30 -9.031 -60.453 0.500 0.00 0.00 WAT1 ATOM 2498 OH2 TIP3 31 -4.173 -57.469 -0.605 0.00 0.00 WAT1 ATOM 2499 H1 TIP3 31 -3.531 -57.012 -1.148 0.00 0.00 WAT1 ATOM 2500 H2 TIP3 31 -5.003 -57.356 -1.067 0.00 0.00 WAT1 ATOM 2501 OH2 TIP3 32 -9.803 -56.418 1.846 0.00 0.00 WAT1 ATOM 2502 H1 TIP3 32 -10.149 -56.799 2.652 0.00 0.00 WAT1 ATOM 2503 H2 TIP3 32 -10.003 -55.484 1.917 0.00 0.00 WAT1 ATOM 2504 OH2 TIP3 33 -7.553 -53.956 1.796 0.00 0.00 WAT1 ATOM 2505 H1 TIP3 33 -8.454 -53.773 1.528 0.00 0.00 WAT1 ATOM 2506 H2 TIP3 33 -7.519 -53.697 2.717 0.00 0.00 WAT1 ATOM 2507 OH2 TIP3 34 -3.526 -52.925 -9.372 0.00 0.00 WAT1 ATOM 2508 H1 TIP3 34 -3.899 -53.751 -9.062 0.00 0.00 WAT1 ATOM 2509 H2 TIP3 34 -3.249 -53.108 -10.269 0.00 0.00 WAT1 ATOM 2510 OH2 TIP3 35 -6.366 -58.117 -2.350 0.00 0.00 WAT1 ATOM 2511 H1 TIP3 35 -7.294 -58.349 -2.377 0.00 0.00 WAT1 ATOM 2512 H2 TIP3 35 -5.915 -58.894 -2.680 0.00 0.00 WAT1 ATOM 2513 OH2 TIP3 36 -11.881 -51.977 -0.326 0.00 0.00 WAT1 ATOM 2514 H1 TIP3 36 -11.518 -51.122 -0.559 0.00 0.00 WAT1 ATOM 2515 H2 TIP3 36 -11.349 -52.269 0.415 0.00 0.00 WAT1 ATOM 2516 OH2 TIP3 37 -8.337 -55.878 -0.625 0.00 0.00 WAT1 ATOM 2517 H1 TIP3 37 -8.763 -56.105 0.201 0.00 0.00 WAT1 ATOM 2518 H2 TIP3 37 -7.756 -56.616 -0.808 0.00 0.00 WAT1 ATOM 2519 OH2 TIP3 38 -6.134 -54.949 -11.551 0.00 0.00 WAT1 ATOM 2520 H1 TIP3 38 -5.781 -55.329 -10.747 0.00 0.00 WAT1 ATOM 2521 H2 TIP3 38 -7.083 -55.042 -11.465 0.00 0.00 WAT1 ATOM 2522 OH2 TIP3 39 -5.268 -56.276 -9.325 0.00 0.00 WAT1 ATOM 2523 H1 TIP3 39 -5.545 -57.004 -8.769 0.00 0.00 WAT1 ATOM 2524 H2 TIP3 39 -4.341 -56.157 -9.119 0.00 0.00 WAT1 ATOM 2525 OH2 TIP3 40 -4.097 -64.079 2.093 0.00 0.00 WAT1 ATOM 2526 H1 TIP3 40 -5.013 -63.816 2.005 0.00 0.00 WAT1 ATOM 2527 H2 TIP3 40 -3.761 -64.082 1.196 0.00 0.00 WAT1 ATOM 2528 OH2 TIP3 41 -14.097 -51.482 5.659 0.00 0.00 WAT1 ATOM 2529 H1 TIP3 41 -13.329 -51.941 6.000 0.00 0.00 WAT1 ATOM 2530 H2 TIP3 41 -14.118 -51.708 4.729 0.00 0.00 WAT1 ATOM 2531 OH2 TIP3 42 -5.401 -52.157 -12.732 0.00 0.00 WAT1 ATOM 2532 H1 TIP3 42 -5.118 -52.951 -12.279 0.00 0.00 WAT1 ATOM 2533 H2 TIP3 42 -4.661 -51.924 -13.293 0.00 0.00 WAT1 ATOM 2534 OH2 TIP3 43 -12.132 -56.621 4.426 0.00 0.00 WAT1 ATOM 2535 H1 TIP3 43 -12.460 -56.350 3.568 0.00 0.00 WAT1 ATOM 2536 H2 TIP3 43 -11.980 -57.562 4.338 0.00 0.00 WAT1 ATOM 2537 OH2 TIP3 44 -8.988 -57.911 5.065 0.00 0.00 WAT1 ATOM 2538 H1 TIP3 44 -8.035 -57.827 5.037 0.00 0.00 WAT1 ATOM 2539 H2 TIP3 44 -9.148 -58.622 5.684 0.00 0.00 WAT1 ATOM 2540 OH2 TIP3 45 -7.258 -61.403 5.630 0.00 0.00 WAT1 ATOM 2541 H1 TIP3 45 -7.066 -62.334 5.519 0.00 0.00 WAT1 ATOM 2542 H2 TIP3 45 -6.401 -60.978 5.620 0.00 0.00 WAT1 ATOM 2543 OH2 TIP3 46 -2.377 -56.808 -8.886 0.00 0.00 WAT1 ATOM 2544 H1 TIP3 46 -1.527 -56.387 -8.758 0.00 0.00 WAT1 ATOM 2545 H2 TIP3 46 -2.372 -57.548 -8.278 0.00 0.00 WAT1 ATOM 2546 OH2 TIP3 47 -2.224 -55.970 -2.114 0.00 0.00 WAT1 ATOM 2547 H1 TIP3 47 -1.390 -56.348 -2.395 0.00 0.00 WAT1 ATOM 2548 H2 TIP3 47 -2.112 -55.027 -2.233 0.00 0.00 WAT1 ATOM 2549 OH2 TIP3 48 -1.843 -60.361 3.824 0.00 0.00 WAT1 ATOM 2550 H1 TIP3 48 -2.706 -60.740 3.659 0.00 0.00 WAT1 ATOM 2551 H2 TIP3 48 -1.239 -61.100 3.750 0.00 0.00 WAT1 ATOM 2552 OH2 TIP3 49 -3.845 -61.333 0.175 0.00 0.00 WAT1 ATOM 2553 H1 TIP3 49 -4.688 -61.065 0.541 0.00 0.00 WAT1 ATOM 2554 H2 TIP3 49 -3.402 -60.511 -0.036 0.00 0.00 WAT1 ATOM 2555 OH2 TIP3 50 -4.954 -50.332 -6.388 0.00 0.00 WAT1 ATOM 2556 H1 TIP3 50 -4.301 -50.679 -6.996 0.00 0.00 WAT1 ATOM 2557 H2 TIP3 50 -4.443 -49.843 -5.742 0.00 0.00 WAT1 ATOM 2558 OH2 TIP3 51 -10.035 -49.684 -1.333 0.00 0.00 WAT1 ATOM 2559 H1 TIP3 51 -10.492 -49.155 -1.987 0.00 0.00 WAT1 ATOM 2560 H2 TIP3 51 -9.872 -49.081 -0.608 0.00 0.00 WAT1 ATOM 2561 OH2 TIP3 52 -13.120 -51.369 -3.125 0.00 0.00 WAT1 ATOM 2562 H1 TIP3 52 -12.907 -52.257 -3.412 0.00 0.00 WAT1 ATOM 2563 H2 TIP3 52 -13.055 -51.403 -2.170 0.00 0.00 WAT1 ATOM 2564 OH2 TIP3 53 -9.683 -50.115 -11.060 0.00 0.00 WAT1 ATOM 2565 H1 TIP3 53 -8.817 -49.749 -11.238 0.00 0.00 WAT1 ATOM 2566 H2 TIP3 53 -9.930 -50.555 -11.873 0.00 0.00 WAT1 ATOM 2567 OH2 TIP3 54 -5.567 -55.721 14.377 0.00 0.00 WAT1 ATOM 2568 H1 TIP3 54 -6.008 -56.441 14.827 0.00 0.00 WAT1 ATOM 2569 H2 TIP3 54 -5.580 -55.000 15.007 0.00 0.00 WAT1 ATOM 2570 OH2 TIP3 55 -8.456 -50.616 14.589 0.00 0.00 WAT1 ATOM 2571 H1 TIP3 55 -7.836 -51.293 14.316 0.00 0.00 WAT1 ATOM 2572 H2 TIP3 55 -8.664 -50.834 15.497 0.00 0.00 WAT1 ATOM 2573 OH2 TIP3 56 -8.409 -55.314 11.699 0.00 0.00 WAT1 ATOM 2574 H1 TIP3 56 -8.705 -55.636 10.848 0.00 0.00 WAT1 ATOM 2575 H2 TIP3 56 -8.733 -54.414 11.741 0.00 0.00 WAT1 ATOM 2576 OH2 TIP3 57 -5.055 -53.881 16.725 0.00 0.00 WAT1 ATOM 2577 H1 TIP3 57 -5.997 -53.823 16.886 0.00 0.00 WAT1 ATOM 2578 H2 TIP3 57 -4.779 -52.975 16.588 0.00 0.00 WAT1 ATOM 2579 OH2 TIP3 58 -6.803 -52.100 13.350 0.00 0.00 WAT1 ATOM 2580 H1 TIP3 58 -6.378 -52.807 12.865 0.00 0.00 WAT1 ATOM 2581 H2 TIP3 58 -6.486 -51.299 12.933 0.00 0.00 WAT1 ATOM 2582 OH2 TIP3 59 -5.644 -54.199 11.859 0.00 0.00 WAT1 ATOM 2583 H1 TIP3 59 -5.901 -54.889 11.247 0.00 0.00 WAT1 ATOM 2584 H2 TIP3 59 -5.573 -54.642 12.704 0.00 0.00 WAT1 ATOM 2585 OH2 TIP3 60 -3.958 -55.633 20.336 0.00 0.00 WAT1 ATOM 2586 H1 TIP3 60 -3.818 -56.224 19.597 0.00 0.00 WAT1 ATOM 2587 H2 TIP3 60 -3.790 -54.760 19.980 0.00 0.00 WAT1 ATOM 2588 OH2 TIP3 61 -9.485 -58.671 10.108 0.00 0.00 WAT1 ATOM 2589 H1 TIP3 61 -10.197 -58.136 9.757 0.00 0.00 WAT1 ATOM 2590 H2 TIP3 61 -8.794 -58.615 9.448 0.00 0.00 WAT1 ATOM 2591 OH2 TIP3 62 -9.431 -60.213 7.147 0.00 0.00 WAT1 ATOM 2592 H1 TIP3 62 -8.730 -60.191 7.798 0.00 0.00 WAT1 ATOM 2593 H2 TIP3 62 -9.129 -60.841 6.491 0.00 0.00 WAT1 ATOM 2594 OH2 TIP3 63 -2.116 -59.293 18.402 0.00 0.00 WAT1 ATOM 2595 H1 TIP3 63 -2.768 -58.598 18.491 0.00 0.00 WAT1 ATOM 2596 H2 TIP3 63 -1.651 -59.083 17.592 0.00 0.00 WAT1 ATOM 2597 OH2 TIP3 64 -6.079 -58.461 11.060 0.00 0.00 WAT1 ATOM 2598 H1 TIP3 64 -6.811 -58.233 11.633 0.00 0.00 WAT1 ATOM 2599 H2 TIP3 64 -5.632 -59.175 11.515 0.00 0.00 WAT1 ATOM 2600 OH2 TIP3 65 -7.758 -53.559 17.310 0.00 0.00 WAT1 ATOM 2601 H1 TIP3 65 -7.999 -52.897 17.958 0.00 0.00 WAT1 ATOM 2602 H2 TIP3 65 -7.956 -54.393 17.735 0.00 0.00 WAT1 ATOM 2603 OH2 TIP3 66 -7.208 -59.299 8.745 0.00 0.00 WAT1 ATOM 2604 H1 TIP3 66 -6.629 -59.149 9.492 0.00 0.00 WAT1 ATOM 2605 H2 TIP3 66 -6.794 -58.828 8.022 0.00 0.00 WAT1 ATOM 2606 OH2 TIP3 67 -9.482 -52.562 12.180 0.00 0.00 WAT1 ATOM 2607 H1 TIP3 67 -9.008 -52.267 12.958 0.00 0.00 WAT1 ATOM 2608 H2 TIP3 67 -10.045 -51.824 11.947 0.00 0.00 WAT1 ATOM 2609 OH2 TIP3 68 -1.403 -52.952 21.913 0.00 0.00 WAT1 ATOM 2610 H1 TIP3 68 -1.452 -53.907 21.876 0.00 0.00 WAT1 ATOM 2611 H2 TIP3 68 -2.229 -52.684 22.315 0.00 0.00 WAT1 ATOM 2612 OH2 TIP3 69 -4.121 -49.084 23.020 0.00 0.00 WAT1 ATOM 2613 H1 TIP3 69 -3.921 -48.660 22.185 0.00 0.00 WAT1 ATOM 2614 H2 TIP3 69 -3.465 -48.741 23.627 0.00 0.00 WAT1 ATOM 2615 OH2 TIP3 70 -11.323 -56.602 9.465 0.00 0.00 WAT1 ATOM 2616 H1 TIP3 70 -12.067 -57.109 9.142 0.00 0.00 WAT1 ATOM 2617 H2 TIP3 70 -11.457 -56.553 10.411 0.00 0.00 WAT1 ATOM 2618 OH2 TIP3 71 -4.173 -57.469 18.251 0.00 0.00 WAT1 ATOM 2619 H1 TIP3 71 -3.531 -57.012 17.708 0.00 0.00 WAT1 ATOM 2620 H2 TIP3 71 -5.003 -57.356 17.789 0.00 0.00 WAT1 ATOM 2621 OH2 TIP3 72 -6.707 -61.921 9.325 0.00 0.00 WAT1 ATOM 2622 H1 TIP3 72 -5.815 -62.058 9.644 0.00 0.00 WAT1 ATOM 2623 H2 TIP3 72 -6.650 -61.130 8.788 0.00 0.00 WAT1 ATOM 2624 OH2 TIP3 73 -1.822 -61.711 9.019 0.00 0.00 WAT1 ATOM 2625 H1 TIP3 73 -2.376 -62.107 8.347 0.00 0.00 WAT1 ATOM 2626 H2 TIP3 73 -1.721 -60.801 8.742 0.00 0.00 WAT1 ATOM 2627 OH2 TIP3 74 -1.858 -55.911 21.856 0.00 0.00 WAT1 ATOM 2628 H1 TIP3 74 -2.710 -55.673 21.489 0.00 0.00 WAT1 ATOM 2629 H2 TIP3 74 -1.268 -55.928 21.103 0.00 0.00 WAT1 ATOM 2630 OH2 TIP3 75 -6.366 -58.117 16.506 0.00 0.00 WAT1 ATOM 2631 H1 TIP3 75 -7.294 -58.349 16.479 0.00 0.00 WAT1 ATOM 2632 H2 TIP3 75 -5.915 -58.894 16.176 0.00 0.00 WAT1 ATOM 2633 OH2 TIP3 76 -13.712 -51.104 11.760 0.00 0.00 WAT1 ATOM 2634 H1 TIP3 76 -14.662 -50.999 11.812 0.00 0.00 WAT1 ATOM 2635 H2 TIP3 76 -13.361 -50.284 12.105 0.00 0.00 WAT1 ATOM 2636 OH2 TIP3 77 -5.678 -51.326 20.700 0.00 0.00 WAT1 ATOM 2637 H1 TIP3 77 -6.280 -51.881 20.205 0.00 0.00 WAT1 ATOM 2638 H2 TIP3 77 -5.397 -50.659 20.074 0.00 0.00 WAT1 ATOM 2639 OH2 TIP3 78 -5.268 -56.276 9.531 0.00 0.00 WAT1 ATOM 2640 H1 TIP3 78 -5.545 -57.004 10.087 0.00 0.00 WAT1 ATOM 2641 H2 TIP3 78 -4.341 -56.157 9.737 0.00 0.00 WAT1 ATOM 2642 OH2 TIP3 79 -12.043 -53.837 5.752 0.00 0.00 WAT1 ATOM 2643 H1 TIP3 79 -11.804 -54.585 5.204 0.00 0.00 WAT1 ATOM 2644 H2 TIP3 79 -12.312 -54.225 6.584 0.00 0.00 WAT1 ATOM 2645 OH2 TIP3 80 -13.106 -54.267 8.208 0.00 0.00 WAT1 ATOM 2646 H1 TIP3 80 -12.959 -54.787 8.998 0.00 0.00 WAT1 ATOM 2647 H2 TIP3 80 -13.109 -53.360 8.514 0.00 0.00 WAT1 ATOM 2648 OH2 TIP3 81 -13.030 -51.526 8.939 0.00 0.00 WAT1 ATOM 2649 H1 TIP3 81 -12.869 -50.726 8.438 0.00 0.00 WAT1 ATOM 2650 H2 TIP3 81 -13.227 -51.219 9.824 0.00 0.00 WAT1 ATOM 2651 OH2 TIP3 82 -14.446 -56.247 5.981 0.00 0.00 WAT1 ATOM 2652 H1 TIP3 82 -14.382 -57.041 6.512 0.00 0.00 WAT1 ATOM 2653 H2 TIP3 82 -13.793 -56.366 5.292 0.00 0.00 WAT1 ATOM 2654 OH2 TIP3 83 -2.129 -50.855 19.818 0.00 0.00 WAT1 ATOM 2655 H1 TIP3 83 -2.616 -51.590 19.447 0.00 0.00 WAT1 ATOM 2656 H2 TIP3 83 -1.580 -51.248 20.496 0.00 0.00 WAT1 ATOM 2657 OH2 TIP3 84 -2.377 -56.808 9.970 0.00 0.00 WAT1 ATOM 2658 H1 TIP3 84 -1.527 -56.387 10.098 0.00 0.00 WAT1 ATOM 2659 H2 TIP3 84 -2.372 -57.548 10.578 0.00 0.00 WAT1 ATOM 2660 OH2 TIP3 85 -1.983 -58.755 11.794 0.00 0.00 WAT1 ATOM 2661 H1 TIP3 85 -2.709 -59.234 12.192 0.00 0.00 WAT1 ATOM 2662 H2 TIP3 85 -1.402 -58.549 12.526 0.00 0.00 WAT1 ATOM 2663 OH2 TIP3 86 -3.737 -53.092 19.049 0.00 0.00 WAT1 ATOM 2664 H1 TIP3 86 -4.385 -52.767 19.674 0.00 0.00 WAT1 ATOM 2665 H2 TIP3 86 -4.255 -53.532 18.374 0.00 0.00 WAT1 ATOM 2666 OH2 TIP3 87 -1.715 -58.854 8.185 0.00 0.00 WAT1 ATOM 2667 H1 TIP3 87 -2.236 -58.497 7.466 0.00 0.00 WAT1 ATOM 2668 H2 TIP3 87 -1.748 -58.179 8.863 0.00 0.00 WAT1 ATOM 2669 OH2 TIP3 88 -3.366 -61.614 6.736 0.00 0.00 WAT1 ATOM 2670 H1 TIP3 88 -3.269 -60.947 6.056 0.00 0.00 WAT1 ATOM 2671 H2 TIP3 88 -3.506 -62.430 6.254 0.00 0.00 WAT1 ATOM 2672 OH2 TIP3 89 -4.118 -64.206 5.853 0.00 0.00 WAT1 ATOM 2673 H1 TIP3 89 -3.508 -64.578 6.490 0.00 0.00 WAT1 ATOM 2674 H2 TIP3 89 -4.955 -64.628 6.049 0.00 0.00 WAT1 ATOM 2675 OH2 TIP3 90 -10.035 -49.684 17.523 0.00 0.00 WAT1 ATOM 2676 H1 TIP3 90 -10.492 -49.155 16.869 0.00 0.00 WAT1 ATOM 2677 H2 TIP3 90 -9.872 -49.081 18.248 0.00 0.00 WAT1 ATOM 2678 OH2 TIP3 91 -7.708 -50.806 18.468 0.00 0.00 WAT1 ATOM 2679 H1 TIP3 91 -8.612 -50.641 18.202 0.00 0.00 WAT1 ATOM 2680 H2 TIP3 91 -7.279 -49.953 18.402 0.00 0.00 WAT1 ATOM 2681 OH2 TIP3 92 -5.103 -49.236 18.763 0.00 0.00 WAT1 ATOM 2682 H1 TIP3 92 -5.285 -48.320 18.552 0.00 0.00 WAT1 ATOM 2683 H2 TIP3 92 -4.927 -49.646 17.916 0.00 0.00 WAT1 ATOM 2684 OH2 TIP3 93 -3.756 -51.801 22.626 0.00 0.00 WAT1 ATOM 2685 H1 TIP3 93 -4.538 -51.987 22.106 0.00 0.00 WAT1 ATOM 2686 H2 TIP3 93 -3.828 -50.872 22.843 0.00 0.00 WAT1 ATOM 2687 OH2 TIP3 94 -5.102 -45.454 -23.249 0.00 0.00 WAT1 ATOM 2688 H1 TIP3 94 -5.317 -46.220 -22.717 0.00 0.00 WAT1 ATOM 2689 H2 TIP3 94 -4.446 -44.982 -22.736 0.00 0.00 WAT1 ATOM 2690 OH2 TIP3 95 -4.755 -46.739 -19.570 0.00 0.00 WAT1 ATOM 2691 H1 TIP3 95 -5.491 -46.128 -19.608 0.00 0.00 WAT1 ATOM 2692 H2 TIP3 95 -4.071 -46.324 -20.096 0.00 0.00 WAT1 ATOM 2693 OH2 TIP3 96 -3.958 -36.777 -17.376 0.00 0.00 WAT1 ATOM 2694 H1 TIP3 96 -3.818 -37.368 -18.115 0.00 0.00 WAT1 ATOM 2695 H2 TIP3 96 -3.790 -35.904 -17.732 0.00 0.00 WAT1 ATOM 2696 OH2 TIP3 97 -2.116 -40.437 -19.310 0.00 0.00 WAT1 ATOM 2697 H1 TIP3 97 -2.768 -39.742 -19.221 0.00 0.00 WAT1 ATOM 2698 H2 TIP3 97 -1.651 -40.227 -20.120 0.00 0.00 WAT1 ATOM 2699 OH2 TIP3 98 -6.182 -41.431 -17.584 0.00 0.00 WAT1 ATOM 2700 H1 TIP3 98 -6.102 -40.668 -17.012 0.00 0.00 WAT1 ATOM 2701 H2 TIP3 98 -6.783 -41.152 -18.275 0.00 0.00 WAT1 ATOM 2702 OH2 TIP3 99 -4.251 -42.603 -15.319 0.00 0.00 WAT1 ATOM 2703 H1 TIP3 99 -4.658 -42.122 -16.039 0.00 0.00 WAT1 ATOM 2704 H2 TIP3 99 -4.210 -43.508 -15.626 0.00 0.00 WAT1 ATOM 2705 OH2 TIP3 100 -6.494 -44.271 -17.098 0.00 0.00 WAT1 ATOM 2706 H1 TIP3 100 -7.008 -44.397 -16.301 0.00 0.00 WAT1 ATOM 2707 H2 TIP3 100 -6.649 -43.359 -17.343 0.00 0.00 WAT1 ATOM 2708 OH2 TIP3 101 -9.757 -41.971 -15.014 0.00 0.00 WAT1 ATOM 2709 H1 TIP3 101 -10.320 -42.675 -14.694 0.00 0.00 WAT1 ATOM 2710 H2 TIP3 101 -8.931 -42.091 -14.547 0.00 0.00 WAT1 ATOM 2711 OH2 TIP3 102 -4.121 -30.228 -14.692 0.00 0.00 WAT1 ATOM 2712 H1 TIP3 102 -3.921 -29.804 -15.527 0.00 0.00 WAT1 ATOM 2713 H2 TIP3 102 -3.465 -29.885 -14.085 0.00 0.00 WAT1 ATOM 2714 OH2 TIP3 103 -4.173 -38.613 -19.461 0.00 0.00 WAT1 ATOM 2715 H1 TIP3 103 -3.531 -38.156 -20.004 0.00 0.00 WAT1 ATOM 2716 H2 TIP3 103 -5.003 -38.500 -19.923 0.00 0.00 WAT1 ATOM 2717 OH2 TIP3 104 -7.553 -35.100 -17.060 0.00 0.00 WAT1 ATOM 2718 H1 TIP3 104 -8.454 -34.917 -17.328 0.00 0.00 WAT1 ATOM 2719 H2 TIP3 104 -7.519 -34.841 -16.139 0.00 0.00 WAT1 ATOM 2720 OH2 TIP3 105 -5.678 -32.470 -17.012 0.00 0.00 WAT1 ATOM 2721 H1 TIP3 105 -6.280 -33.025 -17.507 0.00 0.00 WAT1 ATOM 2722 H2 TIP3 105 -5.397 -31.803 -17.638 0.00 0.00 WAT1 ATOM 2723 OH2 TIP3 106 -4.097 -45.223 -16.763 0.00 0.00 WAT1 ATOM 2724 H1 TIP3 106 -5.013 -44.960 -16.851 0.00 0.00 WAT1 ATOM 2725 H2 TIP3 106 -3.761 -45.226 -17.660 0.00 0.00 WAT1 ATOM 2726 OH2 TIP3 107 -5.495 -41.472 -22.667 0.00 0.00 WAT1 ATOM 2727 H1 TIP3 107 -6.292 -41.887 -22.996 0.00 0.00 WAT1 ATOM 2728 H2 TIP3 107 -5.050 -42.163 -22.176 0.00 0.00 WAT1 ATOM 2729 OH2 TIP3 108 -4.408 -32.216 -21.045 0.00 0.00 WAT1 ATOM 2730 H1 TIP3 108 -4.564 -31.538 -21.702 0.00 0.00 WAT1 ATOM 2731 H2 TIP3 108 -3.476 -32.144 -20.842 0.00 0.00 WAT1 ATOM 2732 OH2 TIP3 109 -7.520 -34.246 -14.468 0.00 0.00 WAT1 ATOM 2733 H1 TIP3 109 -7.871 -35.102 -14.225 0.00 0.00 WAT1 ATOM 2734 H2 TIP3 109 -6.794 -34.103 -13.861 0.00 0.00 WAT1 ATOM 2735 OH2 TIP3 110 -12.132 -37.765 -14.430 0.00 0.00 WAT1 ATOM 2736 H1 TIP3 110 -12.460 -37.494 -15.288 0.00 0.00 WAT1 ATOM 2737 H2 TIP3 110 -11.980 -38.706 -14.518 0.00 0.00 WAT1 ATOM 2738 OH2 TIP3 111 -6.397 -37.849 -17.047 0.00 0.00 WAT1 ATOM 2739 H1 TIP3 111 -5.652 -37.261 -17.167 0.00 0.00 WAT1 ATOM 2740 H2 TIP3 111 -7.154 -37.267 -16.984 0.00 0.00 WAT1 ATOM 2741 OH2 TIP3 112 -8.988 -39.055 -13.791 0.00 0.00 WAT1 ATOM 2742 H1 TIP3 112 -8.035 -38.971 -13.819 0.00 0.00 WAT1 ATOM 2743 H2 TIP3 112 -9.148 -39.766 -13.172 0.00 0.00 WAT1 ATOM 2744 OH2 TIP3 113 -7.258 -42.547 -13.226 0.00 0.00 WAT1 ATOM 2745 H1 TIP3 113 -7.066 -43.478 -13.337 0.00 0.00 WAT1 ATOM 2746 H2 TIP3 113 -6.401 -42.122 -13.236 0.00 0.00 WAT1 ATOM 2747 OH2 TIP3 114 -5.942 -39.758 -15.148 0.00 0.00 WAT1 ATOM 2748 H1 TIP3 114 -6.223 -39.049 -15.726 0.00 0.00 WAT1 ATOM 2749 H2 TIP3 114 -4.999 -39.831 -15.299 0.00 0.00 WAT1 ATOM 2750 OH2 TIP3 115 -6.836 -46.262 -13.418 0.00 0.00 WAT1 ATOM 2751 H1 TIP3 115 -6.933 -47.214 -13.424 0.00 0.00 WAT1 ATOM 2752 H2 TIP3 115 -7.158 -45.993 -12.557 0.00 0.00 WAT1 ATOM 2753 OH2 TIP3 116 -1.692 -31.566 -20.816 0.00 0.00 WAT1 ATOM 2754 H1 TIP3 116 -1.714 -31.381 -19.877 0.00 0.00 WAT1 ATOM 2755 H2 TIP3 116 -1.002 -30.997 -21.157 0.00 0.00 WAT1 ATOM 2756 OH2 TIP3 117 -2.129 -31.999 -17.894 0.00 0.00 WAT1 ATOM 2757 H1 TIP3 117 -2.616 -32.734 -18.265 0.00 0.00 WAT1 ATOM 2758 H2 TIP3 117 -1.580 -32.392 -17.216 0.00 0.00 WAT1 ATOM 2759 OH2 TIP3 118 -2.224 -37.114 -20.970 0.00 0.00 WAT1 ATOM 2760 H1 TIP3 118 -1.390 -37.492 -21.251 0.00 0.00 WAT1 ATOM 2761 H2 TIP3 118 -2.112 -36.171 -21.089 0.00 0.00 WAT1 ATOM 2762 OH2 TIP3 119 -3.737 -34.236 -18.663 0.00 0.00 WAT1 ATOM 2763 H1 TIP3 119 -4.385 -33.911 -18.038 0.00 0.00 WAT1 ATOM 2764 H2 TIP3 119 -4.255 -34.676 -19.338 0.00 0.00 WAT1 ATOM 2765 OH2 TIP3 120 -3.340 -39.408 -15.716 0.00 0.00 WAT1 ATOM 2766 H1 TIP3 120 -2.757 -40.142 -15.525 0.00 0.00 WAT1 ATOM 2767 H2 TIP3 120 -2.776 -38.636 -15.670 0.00 0.00 WAT1 ATOM 2768 OH2 TIP3 121 -3.874 -43.214 -21.457 0.00 0.00 WAT1 ATOM 2769 H1 TIP3 121 -2.941 -43.002 -21.491 0.00 0.00 WAT1 ATOM 2770 H2 TIP3 121 -4.109 -43.112 -20.534 0.00 0.00 WAT1 ATOM 2771 OH2 TIP3 122 -3.845 -42.477 -18.681 0.00 0.00 WAT1 ATOM 2772 H1 TIP3 122 -4.688 -42.209 -18.315 0.00 0.00 WAT1 ATOM 2773 H2 TIP3 122 -3.402 -41.655 -18.892 0.00 0.00 WAT1 ATOM 2774 OH2 TIP3 123 -3.041 -48.298 -17.159 0.00 0.00 WAT1 ATOM 2775 H1 TIP3 123 -3.854 -47.973 -17.547 0.00 0.00 WAT1 ATOM 2776 H2 TIP3 123 -2.808 -49.058 -17.692 0.00 0.00 WAT1 ATOM 2777 OH2 TIP3 124 -5.103 -30.380 -18.949 0.00 0.00 WAT1 ATOM 2778 H1 TIP3 124 -5.285 -29.464 -19.160 0.00 0.00 WAT1 ATOM 2779 H2 TIP3 124 -4.927 -30.790 -19.796 0.00 0.00 WAT1 ATOM 2780 OH2 TIP3 125 -4.469 -48.742 -22.724 0.00 0.00 WAT1 ATOM 2781 H1 TIP3 125 -3.865 -48.194 -23.225 0.00 0.00 WAT1 ATOM 2782 H2 TIP3 125 -5.338 -48.422 -22.964 0.00 0.00 WAT1 ATOM 2783 OH2 TIP3 126 -2.742 -47.603 -24.390 0.00 0.00 WAT1 ATOM 2784 H1 TIP3 126 -2.130 -48.117 -24.917 0.00 0.00 WAT1 ATOM 2785 H2 TIP3 126 -2.359 -46.725 -24.367 0.00 0.00 WAT1 ATOM 2786 OH2 TIP3 127 -6.932 -49.018 -13.779 0.00 0.00 WAT1 ATOM 2787 H1 TIP3 127 -6.856 -49.444 -12.925 0.00 0.00 WAT1 ATOM 2788 H2 TIP3 127 -6.039 -49.004 -14.121 0.00 0.00 WAT1 ATOM 2789 OH2 TIP3 128 -3.756 -32.945 -15.086 0.00 0.00 WAT1 ATOM 2790 H1 TIP3 128 -4.538 -33.131 -15.606 0.00 0.00 WAT1 ATOM 2791 H2 TIP3 128 -3.828 -32.016 -14.869 0.00 0.00 WAT1 ATOM 2792 OH2 TIP3 129 -9.273 -39.804 -2.781 0.00 0.00 WAT1 ATOM 2793 H1 TIP3 129 -9.311 -40.450 -2.076 0.00 0.00 WAT1 ATOM 2794 H2 TIP3 129 -9.596 -40.270 -3.552 0.00 0.00 WAT1 ATOM 2795 OH2 TIP3 130 -8.456 -31.760 -4.267 0.00 0.00 WAT1 ATOM 2796 H1 TIP3 130 -7.836 -32.437 -4.540 0.00 0.00 WAT1 ATOM 2797 H2 TIP3 130 -8.664 -31.978 -3.359 0.00 0.00 WAT1 ATOM 2798 OH2 TIP3 131 -10.884 -37.371 -2.375 0.00 0.00 WAT1 ATOM 2799 H1 TIP3 131 -10.580 -38.057 -2.969 0.00 0.00 WAT1 ATOM 2800 H2 TIP3 131 -10.162 -37.253 -1.757 0.00 0.00 WAT1 ATOM 2801 OH2 TIP3 132 -12.812 -40.929 -4.797 0.00 0.00 WAT1 ATOM 2802 H1 TIP3 132 -12.196 -41.455 -4.288 0.00 0.00 WAT1 ATOM 2803 H2 TIP3 132 -13.398 -41.569 -5.201 0.00 0.00 WAT1 ATOM 2804 OH2 TIP3 133 -11.752 -48.652 -3.248 0.00 0.00 WAT1 ATOM 2805 H1 TIP3 133 -11.869 -49.601 -3.302 0.00 0.00 WAT1 ATOM 2806 H2 TIP3 133 -12.607 -48.320 -2.975 0.00 0.00 WAT1 ATOM 2807 OH2 TIP3 134 -6.803 -33.244 -5.506 0.00 0.00 WAT1 ATOM 2808 H1 TIP3 134 -6.378 -33.951 -5.991 0.00 0.00 WAT1 ATOM 2809 H2 TIP3 134 -6.486 -32.443 -5.923 0.00 0.00 WAT1 ATOM 2810 OH2 TIP3 135 -9.485 -39.815 -8.748 0.00 0.00 WAT1 ATOM 2811 H1 TIP3 135 -10.197 -39.280 -9.099 0.00 0.00 WAT1 ATOM 2812 H2 TIP3 135 -8.794 -39.759 -9.408 0.00 0.00 WAT1 ATOM 2813 OH2 TIP3 136 -9.431 -41.357 -11.709 0.00 0.00 WAT1 ATOM 2814 H1 TIP3 136 -8.730 -41.335 -11.058 0.00 0.00 WAT1 ATOM 2815 H2 TIP3 136 -9.129 -41.985 -12.365 0.00 0.00 WAT1 ATOM 2816 OH2 TIP3 137 -7.758 -34.703 -1.546 0.00 0.00 WAT1 ATOM 2817 H1 TIP3 137 -7.999 -34.041 -0.898 0.00 0.00 WAT1 ATOM 2818 H2 TIP3 137 -7.956 -35.537 -1.121 0.00 0.00 WAT1 ATOM 2819 OH2 TIP3 138 -9.482 -33.706 -6.676 0.00 0.00 WAT1 ATOM 2820 H1 TIP3 138 -9.008 -33.411 -5.898 0.00 0.00 WAT1 ATOM 2821 H2 TIP3 138 -10.045 -32.968 -6.909 0.00 0.00 WAT1 ATOM 2822 OH2 TIP3 139 -10.424 -34.522 1.933 0.00 0.00 WAT1 ATOM 2823 H1 TIP3 139 -10.337 -33.696 2.408 0.00 0.00 WAT1 ATOM 2824 H2 TIP3 139 -11.288 -34.852 2.182 0.00 0.00 WAT1 ATOM 2825 OH2 TIP3 140 -10.010 -30.750 -8.261 0.00 0.00 WAT1 ATOM 2826 H1 TIP3 140 -10.085 -30.871 -9.207 0.00 0.00 WAT1 ATOM 2827 H2 TIP3 140 -9.977 -29.800 -8.142 0.00 0.00 WAT1 ATOM 2828 OH2 TIP3 141 -6.908 -31.596 -11.258 0.00 0.00 WAT1 ATOM 2829 H1 TIP3 141 -6.533 -32.340 -11.729 0.00 0.00 WAT1 ATOM 2830 H2 TIP3 141 -6.904 -31.866 -10.340 0.00 0.00 WAT1 ATOM 2831 OH2 TIP3 142 -7.239 -31.670 -8.509 0.00 0.00 WAT1 ATOM 2832 H1 TIP3 142 -8.174 -31.570 -8.330 0.00 0.00 WAT1 ATOM 2833 H2 TIP3 142 -6.959 -32.379 -7.931 0.00 0.00 WAT1 ATOM 2834 OH2 TIP3 143 -10.158 -45.534 -11.811 0.00 0.00 WAT1 ATOM 2835 H1 TIP3 143 -10.412 -45.515 -10.888 0.00 0.00 WAT1 ATOM 2836 H2 TIP3 143 -10.415 -46.406 -12.112 0.00 0.00 WAT1 ATOM 2837 OH2 TIP3 144 -8.591 -41.062 -0.161 0.00 0.00 WAT1 ATOM 2838 H1 TIP3 144 -8.267 -41.693 -0.804 0.00 0.00 WAT1 ATOM 2839 H2 TIP3 144 -9.031 -41.597 0.500 0.00 0.00 WAT1 ATOM 2840 OH2 TIP3 145 -11.813 -45.135 -5.377 0.00 0.00 WAT1 ATOM 2841 H1 TIP3 145 -12.724 -45.078 -5.088 0.00 0.00 WAT1 ATOM 2842 H2 TIP3 145 -11.308 -45.195 -4.566 0.00 0.00 WAT1 ATOM 2843 OH2 TIP3 146 -10.493 -42.347 -3.490 0.00 0.00 WAT1 ATOM 2844 H1 TIP3 146 -9.929 -42.894 -4.037 0.00 0.00 WAT1 ATOM 2845 H2 TIP3 146 -10.641 -42.869 -2.701 0.00 0.00 WAT1 ATOM 2846 OH2 TIP3 147 -11.867 -43.959 -1.076 0.00 0.00 WAT1 ATOM 2847 H1 TIP3 147 -12.702 -43.505 -0.966 0.00 0.00 WAT1 ATOM 2848 H2 TIP3 147 -11.343 -43.683 -0.324 0.00 0.00 WAT1 ATOM 2849 OH2 TIP3 148 -11.323 -37.746 -9.391 0.00 0.00 WAT1 ATOM 2850 H1 TIP3 148 -12.067 -38.253 -9.714 0.00 0.00 WAT1 ATOM 2851 H2 TIP3 148 -11.457 -37.697 -8.445 0.00 0.00 WAT1 ATOM 2852 OH2 TIP3 149 -7.425 -44.932 -11.192 0.00 0.00 WAT1 ATOM 2853 H1 TIP3 149 -8.363 -44.820 -11.343 0.00 0.00 WAT1 ATOM 2854 H2 TIP3 149 -7.128 -44.075 -10.886 0.00 0.00 WAT1 ATOM 2855 OH2 TIP3 150 -9.803 -37.562 1.846 0.00 0.00 WAT1 ATOM 2856 H1 TIP3 150 -10.149 -37.943 2.652 0.00 0.00 WAT1 ATOM 2857 H2 TIP3 150 -10.003 -36.628 1.917 0.00 0.00 WAT1 ATOM 2858 OH2 TIP3 151 -12.173 -40.473 3.906 0.00 0.00 WAT1 ATOM 2859 H1 TIP3 151 -12.469 -40.639 3.011 0.00 0.00 WAT1 ATOM 2860 H2 TIP3 151 -11.242 -40.693 3.896 0.00 0.00 WAT1 ATOM 2861 OH2 TIP3 152 -7.553 -35.100 1.796 0.00 0.00 WAT1 ATOM 2862 H1 TIP3 152 -8.454 -34.917 1.528 0.00 0.00 WAT1 ATOM 2863 H2 TIP3 152 -7.519 -34.841 2.717 0.00 0.00 WAT1 ATOM 2864 OH2 TIP3 153 -6.366 -39.261 -2.350 0.00 0.00 WAT1 ATOM 2865 H1 TIP3 153 -7.294 -39.493 -2.377 0.00 0.00 WAT1 ATOM 2866 H2 TIP3 153 -5.915 -40.038 -2.680 0.00 0.00 WAT1 ATOM 2867 OH2 TIP3 154 -12.396 -37.270 -6.641 0.00 0.00 WAT1 ATOM 2868 H1 TIP3 154 -12.637 -36.345 -6.599 0.00 0.00 WAT1 ATOM 2869 H2 TIP3 154 -13.136 -37.729 -6.245 0.00 0.00 WAT1 ATOM 2870 OH2 TIP3 155 -8.337 -37.022 -0.625 0.00 0.00 WAT1 ATOM 2871 H1 TIP3 155 -8.763 -37.249 0.201 0.00 0.00 WAT1 ATOM 2872 H2 TIP3 155 -7.756 -37.760 -0.808 0.00 0.00 WAT1 ATOM 2873 OH2 TIP3 156 -5.678 -32.470 1.844 0.00 0.00 WAT1 ATOM 2874 H1 TIP3 156 -6.280 -33.025 1.349 0.00 0.00 WAT1 ATOM 2875 H2 TIP3 156 -5.397 -31.803 1.218 0.00 0.00 WAT1 ATOM 2876 OH2 TIP3 157 -12.043 -34.981 -13.104 0.00 0.00 WAT1 ATOM 2877 H1 TIP3 157 -11.804 -35.729 -13.652 0.00 0.00 WAT1 ATOM 2878 H2 TIP3 157 -12.312 -35.369 -12.272 0.00 0.00 WAT1 ATOM 2879 OH2 TIP3 158 -13.106 -35.411 -10.648 0.00 0.00 WAT1 ATOM 2880 H1 TIP3 158 -12.959 -35.931 -9.858 0.00 0.00 WAT1 ATOM 2881 H2 TIP3 158 -13.109 -34.504 -10.342 0.00 0.00 WAT1 ATOM 2882 OH2 TIP3 159 -8.037 -45.844 -8.762 0.00 0.00 WAT1 ATOM 2883 H1 TIP3 159 -7.817 -45.372 -9.565 0.00 0.00 WAT1 ATOM 2884 H2 TIP3 159 -7.479 -45.449 -8.091 0.00 0.00 WAT1 ATOM 2885 OH2 TIP3 160 -10.368 -33.713 -9.899 0.00 0.00 WAT1 ATOM 2886 H1 TIP3 160 -11.185 -33.216 -9.846 0.00 0.00 WAT1 ATOM 2887 H2 TIP3 160 -9.839 -33.238 -10.539 0.00 0.00 WAT1 ATOM 2888 OH2 TIP3 161 -10.837 -44.116 -7.927 0.00 0.00 WAT1 ATOM 2889 H1 TIP3 161 -10.025 -43.612 -7.881 0.00 0.00 WAT1 ATOM 2890 H2 TIP3 161 -11.082 -44.261 -7.013 0.00 0.00 WAT1 ATOM 2891 OH2 TIP3 162 -10.301 -43.130 1.258 0.00 0.00 WAT1 ATOM 2892 H1 TIP3 162 -10.182 -42.556 2.015 0.00 0.00 WAT1 ATOM 2893 H2 TIP3 162 -9.646 -43.818 1.373 0.00 0.00 WAT1 ATOM 2894 OH2 TIP3 163 -9.953 -47.035 -6.989 0.00 0.00 WAT1 ATOM 2895 H1 TIP3 163 -10.300 -46.417 -6.344 0.00 0.00 WAT1 ATOM 2896 H2 TIP3 163 -9.295 -46.534 -7.470 0.00 0.00 WAT1 ATOM 2897 OH2 TIP3 164 -4.408 -32.216 -2.189 0.00 0.00 WAT1 ATOM 2898 H1 TIP3 164 -4.564 -31.538 -2.846 0.00 0.00 WAT1 ATOM 2899 H2 TIP3 164 -3.476 -32.144 -1.986 0.00 0.00 WAT1 ATOM 2900 OH2 TIP3 165 -10.005 -33.118 -12.966 0.00 0.00 WAT1 ATOM 2901 H1 TIP3 165 -10.649 -33.749 -12.644 0.00 0.00 WAT1 ATOM 2902 H2 TIP3 165 -9.243 -33.649 -13.198 0.00 0.00 WAT1 ATOM 2903 OH2 TIP3 166 -7.520 -34.246 4.388 0.00 0.00 WAT1 ATOM 2904 H1 TIP3 166 -7.871 -35.102 4.631 0.00 0.00 WAT1 ATOM 2905 H2 TIP3 166 -6.794 -34.103 4.995 0.00 0.00 WAT1 ATOM 2906 OH2 TIP3 167 -5.401 -33.301 -12.732 0.00 0.00 WAT1 ATOM 2907 H1 TIP3 167 -5.118 -34.095 -12.279 0.00 0.00 WAT1 ATOM 2908 H2 TIP3 167 -4.661 -33.068 -13.293 0.00 0.00 WAT1 ATOM 2909 OH2 TIP3 168 -9.094 -36.344 -13.139 0.00 0.00 WAT1 ATOM 2910 H1 TIP3 168 -9.362 -36.164 -12.238 0.00 0.00 WAT1 ATOM 2911 H2 TIP3 168 -9.300 -37.270 -13.270 0.00 0.00 WAT1 ATOM 2912 OH2 TIP3 169 -6.397 -37.849 1.809 0.00 0.00 WAT1 ATOM 2913 H1 TIP3 169 -5.652 -37.261 1.689 0.00 0.00 WAT1 ATOM 2914 H2 TIP3 169 -7.154 -37.267 1.872 0.00 0.00 WAT1 ATOM 2915 OH2 TIP3 170 -13.297 -39.419 -10.569 0.00 0.00 WAT1 ATOM 2916 H1 TIP3 170 -13.756 -39.903 -9.883 0.00 0.00 WAT1 ATOM 2917 H2 TIP3 170 -13.042 -40.087 -11.205 0.00 0.00 WAT1 ATOM 2918 OH2 TIP3 171 -14.008 -41.526 1.787 0.00 0.00 WAT1 ATOM 2919 H1 TIP3 171 -14.626 -40.851 2.068 0.00 0.00 WAT1 ATOM 2920 H2 TIP3 171 -13.664 -41.205 0.954 0.00 0.00 WAT1 ATOM 2921 OH2 TIP3 172 -12.226 -41.176 -12.306 0.00 0.00 WAT1 ATOM 2922 H1 TIP3 172 -12.406 -41.330 -13.234 0.00 0.00 WAT1 ATOM 2923 H2 TIP3 172 -11.275 -41.068 -12.262 0.00 0.00 WAT1 ATOM 2924 OH2 TIP3 173 -8.988 -39.055 5.065 0.00 0.00 WAT1 ATOM 2925 H1 TIP3 173 -8.035 -38.971 5.037 0.00 0.00 WAT1 ATOM 2926 H2 TIP3 173 -9.148 -39.766 5.684 0.00 0.00 WAT1 ATOM 2927 OH2 TIP3 174 -13.668 -44.171 2.870 0.00 0.00 WAT1 ATOM 2928 H1 TIP3 174 -13.518 -44.900 2.267 0.00 0.00 WAT1 ATOM 2929 H2 TIP3 174 -13.666 -43.394 2.311 0.00 0.00 WAT1 ATOM 2930 OH2 TIP3 175 -13.256 -45.801 0.362 0.00 0.00 WAT1 ATOM 2931 H1 TIP3 175 -12.720 -45.350 -0.290 0.00 0.00 WAT1 ATOM 2932 H2 TIP3 175 -14.108 -45.909 -0.060 0.00 0.00 WAT1 ATOM 2933 OH2 TIP3 176 -11.674 -40.362 0.602 0.00 0.00 WAT1 ATOM 2934 H1 TIP3 176 -10.923 -40.518 0.029 0.00 0.00 WAT1 ATOM 2935 H2 TIP3 176 -12.013 -39.510 0.326 0.00 0.00 WAT1 ATOM 2936 OH2 TIP3 177 -15.190 -42.973 4.781 0.00 0.00 WAT1 ATOM 2937 H1 TIP3 177 -15.957 -43.505 4.571 0.00 0.00 WAT1 ATOM 2938 H2 TIP3 177 -14.511 -43.283 4.182 0.00 0.00 WAT1 ATOM 2939 OH2 TIP3 178 -12.450 -48.345 0.794 0.00 0.00 WAT1 ATOM 2940 H1 TIP3 178 -12.548 -47.398 0.688 0.00 0.00 WAT1 ATOM 2941 H2 TIP3 178 -13.193 -48.717 0.318 0.00 0.00 WAT1 ATOM 2942 OH2 TIP3 179 -12.228 -49.051 3.465 0.00 0.00 WAT1 ATOM 2943 H1 TIP3 179 -11.516 -49.691 3.451 0.00 0.00 WAT1 ATOM 2944 H2 TIP3 179 -12.329 -48.784 2.551 0.00 0.00 WAT1 ATOM 2945 OH2 TIP3 180 -1.692 -31.566 -1.960 0.00 0.00 WAT1 ATOM 2946 H1 TIP3 180 -1.714 -31.381 -1.021 0.00 0.00 WAT1 ATOM 2947 H2 TIP3 180 -1.002 -30.997 -2.301 0.00 0.00 WAT1 ATOM 2948 OH2 TIP3 181 -3.366 -42.758 -12.120 0.00 0.00 WAT1 ATOM 2949 H1 TIP3 181 -3.269 -42.091 -12.800 0.00 0.00 WAT1 ATOM 2950 H2 TIP3 181 -3.506 -43.574 -12.602 0.00 0.00 WAT1 ATOM 2951 OH2 TIP3 182 -4.954 -31.476 -6.388 0.00 0.00 WAT1 ATOM 2952 H1 TIP3 182 -4.301 -31.823 -6.996 0.00 0.00 WAT1 ATOM 2953 H2 TIP3 182 -4.443 -30.987 -5.742 0.00 0.00 WAT1 ATOM 2954 OH2 TIP3 183 -7.959 -30.888 2.617 0.00 0.00 WAT1 ATOM 2955 H1 TIP3 183 -7.282 -31.520 2.377 0.00 0.00 WAT1 ATOM 2956 H2 TIP3 183 -7.637 -30.486 3.425 0.00 0.00 WAT1 ATOM 2957 OH2 TIP3 184 -7.708 -31.950 -0.388 0.00 0.00 WAT1 ATOM 2958 H1 TIP3 184 -8.612 -31.785 -0.654 0.00 0.00 WAT1 ATOM 2959 H2 TIP3 184 -7.279 -31.097 -0.454 0.00 0.00 WAT1 ATOM 2960 OH2 TIP3 185 -5.103 -30.380 -0.093 0.00 0.00 WAT1 ATOM 2961 H1 TIP3 185 -5.285 -29.464 -0.304 0.00 0.00 WAT1 ATOM 2962 H2 TIP3 185 -4.927 -30.790 -0.940 0.00 0.00 WAT1 ATOM 2963 OH2 TIP3 186 -9.611 -46.849 -3.980 0.00 0.00 WAT1 ATOM 2964 H1 TIP3 186 -10.286 -47.478 -3.725 0.00 0.00 WAT1 ATOM 2965 H2 TIP3 186 -9.047 -47.333 -4.583 0.00 0.00 WAT1 ATOM 2966 OH2 TIP3 187 -7.148 -48.258 -4.696 0.00 0.00 WAT1 ATOM 2967 H1 TIP3 187 -7.072 -48.163 -5.645 0.00 0.00 WAT1 ATOM 2968 H2 TIP3 187 -7.424 -49.166 -4.567 0.00 0.00 WAT1 ATOM 2969 OH2 TIP3 188 -11.561 -46.208 -9.455 0.00 0.00 WAT1 ATOM 2970 H1 TIP3 188 -11.383 -46.854 -8.772 0.00 0.00 WAT1 ATOM 2971 H2 TIP3 188 -11.615 -45.374 -8.988 0.00 0.00 WAT1 ATOM 2972 OH2 TIP3 189 -9.683 -31.259 -11.060 0.00 0.00 WAT1 ATOM 2973 H1 TIP3 189 -8.817 -30.893 -11.238 0.00 0.00 WAT1 ATOM 2974 H2 TIP3 189 -9.930 -31.699 -11.873 0.00 0.00 WAT1 ATOM 2975 OH2 TIP3 190 -15.354 -48.350 4.895 0.00 0.00 WAT1 ATOM 2976 H1 TIP3 190 -14.455 -48.624 4.710 0.00 0.00 WAT1 ATOM 2977 H2 TIP3 190 -15.740 -49.093 5.359 0.00 0.00 WAT1 ATOM 2978 OH2 TIP3 191 -8.206 -39.059 12.656 0.00 0.00 WAT1 ATOM 2979 H1 TIP3 191 -8.117 -38.115 12.524 0.00 0.00 WAT1 ATOM 2980 H2 TIP3 191 -8.845 -39.334 11.998 0.00 0.00 WAT1 ATOM 2981 OH2 TIP3 192 -9.273 -39.804 16.075 0.00 0.00 WAT1 ATOM 2982 H1 TIP3 192 -9.311 -40.450 16.780 0.00 0.00 WAT1 ATOM 2983 H2 TIP3 192 -9.596 -40.270 15.304 0.00 0.00 WAT1 ATOM 2984 OH2 TIP3 193 -5.567 -36.865 14.377 0.00 0.00 WAT1 ATOM 2985 H1 TIP3 193 -6.008 -37.585 14.827 0.00 0.00 WAT1 ATOM 2986 H2 TIP3 193 -5.580 -36.144 15.007 0.00 0.00 WAT1 ATOM 2987 OH2 TIP3 194 -10.884 -37.371 16.481 0.00 0.00 WAT1 ATOM 2988 H1 TIP3 194 -10.580 -38.057 15.887 0.00 0.00 WAT1 ATOM 2989 H2 TIP3 194 -10.162 -37.253 17.099 0.00 0.00 WAT1 ATOM 2990 OH2 TIP3 195 -7.743 -42.977 16.809 0.00 0.00 WAT1 ATOM 2991 H1 TIP3 195 -7.600 -43.924 16.829 0.00 0.00 WAT1 ATOM 2992 H2 TIP3 195 -7.849 -42.770 15.880 0.00 0.00 WAT1 ATOM 2993 OH2 TIP3 196 -8.409 -36.458 11.699 0.00 0.00 WAT1 ATOM 2994 H1 TIP3 196 -8.705 -36.780 10.848 0.00 0.00 WAT1 ATOM 2995 H2 TIP3 196 -8.733 -35.558 11.741 0.00 0.00 WAT1 ATOM 2996 OH2 TIP3 197 -13.209 -38.282 18.443 0.00 0.00 WAT1 ATOM 2997 H1 TIP3 197 -13.949 -37.684 18.546 0.00 0.00 WAT1 ATOM 2998 H2 TIP3 197 -12.495 -37.728 18.127 0.00 0.00 WAT1 ATOM 2999 OH2 TIP3 198 -4.755 -46.739 18.142 0.00 0.00 WAT1 ATOM 3000 H1 TIP3 198 -5.491 -46.128 18.104 0.00 0.00 WAT1 ATOM 3001 H2 TIP3 198 -4.071 -46.324 17.616 0.00 0.00 WAT1 ATOM 3002 OH2 TIP3 199 -11.752 -48.652 15.608 0.00 0.00 WAT1 ATOM 3003 H1 TIP3 199 -11.869 -49.601 15.554 0.00 0.00 WAT1 ATOM 3004 H2 TIP3 199 -12.607 -48.320 15.881 0.00 0.00 WAT1 ATOM 3005 OH2 TIP3 200 -9.485 -39.815 10.108 0.00 0.00 WAT1 ATOM 3006 H1 TIP3 200 -10.197 -39.280 9.757 0.00 0.00 WAT1 ATOM 3007 H2 TIP3 200 -8.794 -39.759 9.448 0.00 0.00 WAT1 ATOM 3008 OH2 TIP3 201 -9.431 -41.357 7.147 0.00 0.00 WAT1 ATOM 3009 H1 TIP3 201 -8.730 -41.335 7.798 0.00 0.00 WAT1 ATOM 3010 H2 TIP3 201 -9.129 -41.985 6.491 0.00 0.00 WAT1 ATOM 3011 OH2 TIP3 202 -13.067 -35.547 15.624 0.00 0.00 WAT1 ATOM 3012 H1 TIP3 202 -13.162 -36.125 14.867 0.00 0.00 WAT1 ATOM 3013 H2 TIP3 202 -12.338 -35.918 16.120 0.00 0.00 WAT1 ATOM 3014 OH2 TIP3 203 -13.187 -35.807 21.293 0.00 0.00 WAT1 ATOM 3015 H1 TIP3 203 -13.499 -35.025 21.749 0.00 0.00 WAT1 ATOM 3016 H2 TIP3 203 -13.837 -35.960 20.607 0.00 0.00 WAT1 ATOM 3017 OH2 TIP3 204 -7.208 -40.443 8.745 0.00 0.00 WAT1 ATOM 3018 H1 TIP3 204 -6.629 -40.293 9.492 0.00 0.00 WAT1 ATOM 3019 H2 TIP3 204 -6.794 -39.972 8.022 0.00 0.00 WAT1 ATOM 3020 OH2 TIP3 205 -9.482 -33.706 12.180 0.00 0.00 WAT1 ATOM 3021 H1 TIP3 205 -9.008 -33.411 12.958 0.00 0.00 WAT1 ATOM 3022 H2 TIP3 205 -10.045 -32.968 11.947 0.00 0.00 WAT1 ATOM 3023 OH2 TIP3 206 -10.424 -34.522 20.789 0.00 0.00 WAT1 ATOM 3024 H1 TIP3 206 -10.337 -33.696 21.264 0.00 0.00 WAT1 ATOM 3025 H2 TIP3 206 -11.288 -34.852 21.038 0.00 0.00 WAT1 ATOM 3026 OH2 TIP3 207 -10.010 -30.750 10.595 0.00 0.00 WAT1 ATOM 3027 H1 TIP3 207 -10.085 -30.871 9.649 0.00 0.00 WAT1 ATOM 3028 H2 TIP3 207 -9.977 -29.800 10.714 0.00 0.00 WAT1 ATOM 3029 OH2 TIP3 208 -6.908 -31.596 7.598 0.00 0.00 WAT1 ATOM 3030 H1 TIP3 208 -6.533 -32.340 7.127 0.00 0.00 WAT1 ATOM 3031 H2 TIP3 208 -6.904 -31.866 8.516 0.00 0.00 WAT1 ATOM 3032 OH2 TIP3 209 -7.239 -31.670 10.347 0.00 0.00 WAT1 ATOM 3033 H1 TIP3 209 -8.174 -31.570 10.526 0.00 0.00 WAT1 ATOM 3034 H2 TIP3 209 -6.959 -32.379 10.925 0.00 0.00 WAT1 ATOM 3035 OH2 TIP3 210 -8.859 -42.146 11.210 0.00 0.00 WAT1 ATOM 3036 H1 TIP3 210 -9.268 -41.331 10.918 0.00 0.00 WAT1 ATOM 3037 H2 TIP3 210 -8.139 -42.286 10.595 0.00 0.00 WAT1 ATOM 3038 OH2 TIP3 211 -9.757 -41.971 22.698 0.00 0.00 WAT1 ATOM 3039 H1 TIP3 211 -10.320 -42.675 23.018 0.00 0.00 WAT1 ATOM 3040 H2 TIP3 211 -8.931 -42.091 23.165 0.00 0.00 WAT1 ATOM 3041 OH2 TIP3 212 -7.855 -42.700 14.024 0.00 0.00 WAT1 ATOM 3042 H1 TIP3 212 -8.050 -42.095 13.309 0.00 0.00 WAT1 ATOM 3043 H2 TIP3 212 -7.673 -43.534 13.589 0.00 0.00 WAT1 ATOM 3044 OH2 TIP3 213 -13.276 -45.089 6.146 0.00 0.00 WAT1 ATOM 3045 H1 TIP3 213 -13.707 -45.534 6.876 0.00 0.00 WAT1 ATOM 3046 H2 TIP3 213 -13.994 -44.717 5.634 0.00 0.00 WAT1 ATOM 3047 OH2 TIP3 214 -8.591 -41.062 18.695 0.00 0.00 WAT1 ATOM 3048 H1 TIP3 214 -8.267 -41.693 18.052 0.00 0.00 WAT1 ATOM 3049 H2 TIP3 214 -9.031 -41.597 19.356 0.00 0.00 WAT1 ATOM 3050 OH2 TIP3 215 -11.813 -45.135 13.479 0.00 0.00 WAT1 ATOM 3051 H1 TIP3 215 -12.724 -45.078 13.768 0.00 0.00 WAT1 ATOM 3052 H2 TIP3 215 -11.308 -45.195 14.290 0.00 0.00 WAT1 ATOM 3053 OH2 TIP3 216 -13.332 -43.506 9.962 0.00 0.00 WAT1 ATOM 3054 H1 TIP3 216 -12.400 -43.377 10.140 0.00 0.00 WAT1 ATOM 3055 H2 TIP3 216 -13.547 -42.836 9.313 0.00 0.00 WAT1 ATOM 3056 OH2 TIP3 217 -7.408 -45.900 16.743 0.00 0.00 WAT1 ATOM 3057 H1 TIP3 217 -8.085 -45.769 17.407 0.00 0.00 WAT1 ATOM 3058 H2 TIP3 217 -7.894 -46.055 15.933 0.00 0.00 WAT1 ATOM 3059 OH2 TIP3 218 -14.658 -42.311 7.529 0.00 0.00 WAT1 ATOM 3060 H1 TIP3 218 -15.200 -42.691 6.838 0.00 0.00 WAT1 ATOM 3061 H2 TIP3 218 -13.824 -42.117 7.100 0.00 0.00 WAT1 ATOM 3062 OH2 TIP3 219 -10.493 -42.347 15.366 0.00 0.00 WAT1 ATOM 3063 H1 TIP3 219 -9.929 -42.894 14.819 0.00 0.00 WAT1 ATOM 3064 H2 TIP3 219 -10.641 -42.869 16.155 0.00 0.00 WAT1 ATOM 3065 OH2 TIP3 220 -15.491 -46.211 11.784 0.00 0.00 WAT1 ATOM 3066 H1 TIP3 220 -15.808 -47.113 11.749 0.00 0.00 WAT1 ATOM 3067 H2 TIP3 220 -14.710 -46.209 11.232 0.00 0.00 WAT1 ATOM 3068 OH2 TIP3 221 -9.803 -37.562 20.702 0.00 0.00 WAT1 ATOM 3069 H1 TIP3 221 -10.149 -37.943 21.508 0.00 0.00 WAT1 ATOM 3070 H2 TIP3 221 -10.003 -36.628 20.773 0.00 0.00 WAT1 ATOM 3071 OH2 TIP3 222 -9.197 -36.287 8.490 0.00 0.00 WAT1 ATOM 3072 H1 TIP3 222 -9.492 -35.461 8.872 0.00 0.00 WAT1 ATOM 3073 H2 TIP3 222 -9.900 -36.907 8.686 0.00 0.00 WAT1 ATOM 3074 OH2 TIP3 223 -12.173 -40.473 22.762 0.00 0.00 WAT1 ATOM 3075 H1 TIP3 223 -12.469 -40.639 21.867 0.00 0.00 WAT1 ATOM 3076 H2 TIP3 223 -11.242 -40.693 22.752 0.00 0.00 WAT1 ATOM 3077 OH2 TIP3 224 -13.823 -34.933 12.639 0.00 0.00 WAT1 ATOM 3078 H1 TIP3 224 -13.296 -34.160 12.438 0.00 0.00 WAT1 ATOM 3079 H2 TIP3 224 -14.703 -34.708 12.337 0.00 0.00 WAT1 ATOM 3080 OH2 TIP3 225 -12.396 -37.270 12.215 0.00 0.00 WAT1 ATOM 3081 H1 TIP3 225 -12.637 -36.345 12.257 0.00 0.00 WAT1 ATOM 3082 H2 TIP3 225 -13.136 -37.729 12.611 0.00 0.00 WAT1 ATOM 3083 OH2 TIP3 226 -11.881 -33.121 18.530 0.00 0.00 WAT1 ATOM 3084 H1 TIP3 226 -11.518 -32.266 18.297 0.00 0.00 WAT1 ATOM 3085 H2 TIP3 226 -11.349 -33.413 19.271 0.00 0.00 WAT1 ATOM 3086 OH2 TIP3 227 -6.134 -36.093 7.305 0.00 0.00 WAT1 ATOM 3087 H1 TIP3 227 -5.781 -36.473 8.109 0.00 0.00 WAT1 ATOM 3088 H2 TIP3 227 -7.083 -36.186 7.391 0.00 0.00 WAT1 ATOM 3089 OH2 TIP3 228 -8.821 -45.496 18.997 0.00 0.00 WAT1 ATOM 3090 H1 TIP3 228 -8.123 -45.422 19.647 0.00 0.00 WAT1 ATOM 3091 H2 TIP3 228 -9.202 -46.360 19.152 0.00 0.00 WAT1 ATOM 3092 OH2 TIP3 229 -10.837 -44.116 10.929 0.00 0.00 WAT1 ATOM 3093 H1 TIP3 229 -10.025 -43.612 10.975 0.00 0.00 WAT1 ATOM 3094 H2 TIP3 229 -11.082 -44.261 11.843 0.00 0.00 WAT1 ATOM 3095 OH2 TIP3 230 -10.301 -43.130 20.114 0.00 0.00 WAT1 ATOM 3096 H1 TIP3 230 -10.182 -42.556 20.871 0.00 0.00 WAT1 ATOM 3097 H2 TIP3 230 -9.646 -43.818 20.229 0.00 0.00 WAT1 ATOM 3098 OH2 TIP3 231 -14.296 -45.972 8.555 0.00 0.00 WAT1 ATOM 3099 H1 TIP3 231 -14.379 -45.083 8.901 0.00 0.00 WAT1 ATOM 3100 H2 TIP3 231 -13.406 -46.237 8.786 0.00 0.00 WAT1 ATOM 3101 OH2 TIP3 232 -5.401 -33.301 6.124 0.00 0.00 WAT1 ATOM 3102 H1 TIP3 232 -5.118 -34.095 6.577 0.00 0.00 WAT1 ATOM 3103 H2 TIP3 232 -4.661 -33.068 5.563 0.00 0.00 WAT1 ATOM 3104 OH2 TIP3 233 -12.132 -37.765 23.282 0.00 0.00 WAT1 ATOM 3105 H1 TIP3 233 -12.460 -37.494 22.424 0.00 0.00 WAT1 ATOM 3106 H2 TIP3 233 -11.980 -38.706 23.194 0.00 0.00 WAT1 ATOM 3107 OH2 TIP3 234 -9.094 -36.344 5.717 0.00 0.00 WAT1 ATOM 3108 H1 TIP3 234 -9.362 -36.164 6.618 0.00 0.00 WAT1 ATOM 3109 H2 TIP3 234 -9.300 -37.270 5.586 0.00 0.00 WAT1 ATOM 3110 OH2 TIP3 235 -13.297 -39.419 8.287 0.00 0.00 WAT1 ATOM 3111 H1 TIP3 235 -13.756 -39.903 8.973 0.00 0.00 WAT1 ATOM 3112 H2 TIP3 235 -13.042 -40.087 7.651 0.00 0.00 WAT1 ATOM 3113 OH2 TIP3 236 -12.226 -41.176 6.550 0.00 0.00 WAT1 ATOM 3114 H1 TIP3 236 -12.406 -41.330 5.622 0.00 0.00 WAT1 ATOM 3115 H2 TIP3 236 -11.275 -41.068 6.594 0.00 0.00 WAT1 ATOM 3116 OH2 TIP3 237 -11.674 -40.362 19.458 0.00 0.00 WAT1 ATOM 3117 H1 TIP3 237 -10.923 -40.518 18.885 0.00 0.00 WAT1 ATOM 3118 H2 TIP3 237 -12.013 -39.510 19.182 0.00 0.00 WAT1 ATOM 3119 OH2 TIP3 238 -11.186 -44.023 23.213 0.00 0.00 WAT1 ATOM 3120 H1 TIP3 238 -11.422 -44.243 24.115 0.00 0.00 WAT1 ATOM 3121 H2 TIP3 238 -11.969 -44.230 22.704 0.00 0.00 WAT1 ATOM 3122 OH2 TIP3 239 -8.470 -44.896 22.289 0.00 0.00 WAT1 ATOM 3123 H1 TIP3 239 -9.418 -44.864 22.421 0.00 0.00 WAT1 ATOM 3124 H2 TIP3 239 -8.158 -45.521 22.943 0.00 0.00 WAT1 ATOM 3125 OH2 TIP3 240 -6.836 -46.262 24.294 0.00 0.00 WAT1 ATOM 3126 H1 TIP3 240 -6.933 -47.214 24.288 0.00 0.00 WAT1 ATOM 3127 H2 TIP3 240 -7.158 -45.993 25.155 0.00 0.00 WAT1 ATOM 3128 OH2 TIP3 241 -1.562 -48.497 24.385 0.00 0.00 WAT1 ATOM 3129 H1 TIP3 241 -1.212 -49.151 23.779 0.00 0.00 WAT1 ATOM 3130 H2 TIP3 241 -1.415 -47.660 23.945 0.00 0.00 WAT1 ATOM 3131 OH2 TIP3 242 -2.042 -46.388 22.734 0.00 0.00 WAT1 ATOM 3132 H1 TIP3 242 -2.959 -46.117 22.698 0.00 0.00 WAT1 ATOM 3133 H2 TIP3 242 -1.919 -46.923 21.950 0.00 0.00 WAT1 ATOM 3134 OH2 TIP3 243 -14.615 -33.572 19.270 0.00 0.00 WAT1 ATOM 3135 H1 TIP3 243 -15.040 -32.763 18.987 0.00 0.00 WAT1 ATOM 3136 H2 TIP3 243 -13.710 -33.487 18.968 0.00 0.00 WAT1 ATOM 3137 OH2 TIP3 244 -10.304 -32.173 22.229 0.00 0.00 WAT1 ATOM 3138 H1 TIP3 244 -10.119 -32.507 23.107 0.00 0.00 WAT1 ATOM 3139 H2 TIP3 244 -9.457 -31.864 21.907 0.00 0.00 WAT1 ATOM 3140 OH2 TIP3 245 -3.041 -48.298 20.553 0.00 0.00 WAT1 ATOM 3141 H1 TIP3 245 -3.854 -47.973 20.165 0.00 0.00 WAT1 ATOM 3142 H2 TIP3 245 -2.808 -49.058 20.020 0.00 0.00 WAT1 ATOM 3143 OH2 TIP3 246 -13.120 -32.513 15.731 0.00 0.00 WAT1 ATOM 3144 H1 TIP3 246 -12.907 -33.401 15.444 0.00 0.00 WAT1 ATOM 3145 H2 TIP3 246 -13.055 -32.547 16.686 0.00 0.00 WAT1 ATOM 3146 OH2 TIP3 247 -9.611 -46.849 14.876 0.00 0.00 WAT1 ATOM 3147 H1 TIP3 247 -10.286 -47.478 15.131 0.00 0.00 WAT1 ATOM 3148 H2 TIP3 247 -9.047 -47.333 14.273 0.00 0.00 WAT1 ATOM 3149 OH2 TIP3 248 -12.705 -48.288 12.511 0.00 0.00 WAT1 ATOM 3150 H1 TIP3 248 -11.831 -47.900 12.481 0.00 0.00 WAT1 ATOM 3151 H2 TIP3 248 -12.841 -48.503 13.434 0.00 0.00 WAT1 ATOM 3152 OH2 TIP3 249 -16.587 -46.501 6.944 0.00 0.00 WAT1 ATOM 3153 H1 TIP3 249 -16.096 -47.131 6.416 0.00 0.00 WAT1 ATOM 3154 H2 TIP3 249 -15.964 -46.205 7.607 0.00 0.00 WAT1 ATOM 3155 OH2 TIP3 250 -9.683 -31.259 7.796 0.00 0.00 WAT1 ATOM 3156 H1 TIP3 250 -8.817 -30.893 7.618 0.00 0.00 WAT1 ATOM 3157 H2 TIP3 250 -9.930 -31.699 6.983 0.00 0.00 WAT1 ATOM 3158 OH2 TIP3 251 -8.206 -39.059 31.512 0.00 0.00 WAT1 ATOM 3159 H1 TIP3 251 -8.117 -38.115 31.380 0.00 0.00 WAT1 ATOM 3160 H2 TIP3 251 -8.845 -39.334 30.854 0.00 0.00 WAT1 ATOM 3161 OH2 TIP3 252 -8.409 -36.458 30.555 0.00 0.00 WAT1 ATOM 3162 H1 TIP3 252 -8.705 -36.780 29.704 0.00 0.00 WAT1 ATOM 3163 H2 TIP3 252 -8.733 -35.558 30.597 0.00 0.00 WAT1 ATOM 3164 OH2 TIP3 253 -5.644 -35.343 30.715 0.00 0.00 WAT1 ATOM 3165 H1 TIP3 253 -5.901 -36.033 30.103 0.00 0.00 WAT1 ATOM 3166 H2 TIP3 253 -5.573 -35.786 31.560 0.00 0.00 WAT1 ATOM 3167 OH2 TIP3 254 -9.485 -39.815 28.964 0.00 0.00 WAT1 ATOM 3168 H1 TIP3 254 -10.197 -39.280 28.613 0.00 0.00 WAT1 ATOM 3169 H2 TIP3 254 -8.794 -39.759 28.304 0.00 0.00 WAT1 ATOM 3170 OH2 TIP3 255 -9.431 -41.357 26.003 0.00 0.00 WAT1 ATOM 3171 H1 TIP3 255 -8.730 -41.335 26.654 0.00 0.00 WAT1 ATOM 3172 H2 TIP3 255 -9.129 -41.985 25.347 0.00 0.00 WAT1 ATOM 3173 OH2 TIP3 256 -6.079 -39.605 29.916 0.00 0.00 WAT1 ATOM 3174 H1 TIP3 256 -6.811 -39.377 30.489 0.00 0.00 WAT1 ATOM 3175 H2 TIP3 256 -5.632 -40.319 30.371 0.00 0.00 WAT1 ATOM 3176 OH2 TIP3 257 -7.208 -40.443 27.601 0.00 0.00 WAT1 ATOM 3177 H1 TIP3 257 -6.629 -40.293 28.348 0.00 0.00 WAT1 ATOM 3178 H2 TIP3 257 -6.794 -39.972 26.878 0.00 0.00 WAT1 ATOM 3179 OH2 TIP3 258 -6.908 -31.596 26.454 0.00 0.00 WAT1 ATOM 3180 H1 TIP3 258 -6.533 -32.340 25.983 0.00 0.00 WAT1 ATOM 3181 H2 TIP3 258 -6.904 -31.866 27.372 0.00 0.00 WAT1 ATOM 3182 OH2 TIP3 259 -10.158 -45.534 25.901 0.00 0.00 WAT1 ATOM 3183 H1 TIP3 259 -10.412 -45.515 26.824 0.00 0.00 WAT1 ATOM 3184 H2 TIP3 259 -10.415 -46.406 25.600 0.00 0.00 WAT1 ATOM 3185 OH2 TIP3 260 -8.859 -42.146 30.066 0.00 0.00 WAT1 ATOM 3186 H1 TIP3 260 -9.268 -41.331 29.774 0.00 0.00 WAT1 ATOM 3187 H2 TIP3 260 -8.139 -42.286 29.451 0.00 0.00 WAT1 ATOM 3188 OH2 TIP3 261 -11.323 -37.746 28.321 0.00 0.00 WAT1 ATOM 3189 H1 TIP3 261 -12.067 -38.253 27.998 0.00 0.00 WAT1 ATOM 3190 H2 TIP3 261 -11.457 -37.697 29.267 0.00 0.00 WAT1 ATOM 3191 OH2 TIP3 262 -7.425 -44.932 26.520 0.00 0.00 WAT1 ATOM 3192 H1 TIP3 262 -8.363 -44.820 26.369 0.00 0.00 WAT1 ATOM 3193 H2 TIP3 262 -7.128 -44.075 26.826 0.00 0.00 WAT1 ATOM 3194 OH2 TIP3 263 -6.707 -43.065 28.181 0.00 0.00 WAT1 ATOM 3195 H1 TIP3 263 -5.815 -43.202 28.500 0.00 0.00 WAT1 ATOM 3196 H2 TIP3 263 -6.650 -42.274 27.644 0.00 0.00 WAT1 ATOM 3197 OH2 TIP3 264 -9.197 -36.287 27.346 0.00 0.00 WAT1 ATOM 3198 H1 TIP3 264 -9.492 -35.461 27.728 0.00 0.00 WAT1 ATOM 3199 H2 TIP3 264 -9.900 -36.907 27.542 0.00 0.00 WAT1 ATOM 3200 OH2 TIP3 265 -1.822 -42.855 27.875 0.00 0.00 WAT1 ATOM 3201 H1 TIP3 265 -2.376 -43.251 27.203 0.00 0.00 WAT1 ATOM 3202 H2 TIP3 265 -1.721 -41.945 27.598 0.00 0.00 WAT1 ATOM 3203 OH2 TIP3 266 -3.526 -34.069 28.340 0.00 0.00 WAT1 ATOM 3204 H1 TIP3 266 -3.899 -34.895 28.650 0.00 0.00 WAT1 ATOM 3205 H2 TIP3 266 -3.249 -34.252 27.443 0.00 0.00 WAT1 ATOM 3206 OH2 TIP3 267 -5.268 -37.420 28.387 0.00 0.00 WAT1 ATOM 3207 H1 TIP3 267 -5.545 -38.148 28.943 0.00 0.00 WAT1 ATOM 3208 H2 TIP3 267 -4.341 -37.301 28.593 0.00 0.00 WAT1 ATOM 3209 OH2 TIP3 268 -12.043 -34.981 24.608 0.00 0.00 WAT1 ATOM 3210 H1 TIP3 268 -11.804 -35.729 24.060 0.00 0.00 WAT1 ATOM 3211 H2 TIP3 268 -12.312 -35.369 25.440 0.00 0.00 WAT1 ATOM 3212 OH2 TIP3 269 -13.106 -35.411 27.064 0.00 0.00 WAT1 ATOM 3213 H1 TIP3 269 -12.959 -35.931 27.854 0.00 0.00 WAT1 ATOM 3214 H2 TIP3 269 -13.109 -34.504 27.370 0.00 0.00 WAT1 ATOM 3215 OH2 TIP3 270 -10.368 -33.713 27.813 0.00 0.00 WAT1 ATOM 3216 H1 TIP3 270 -11.185 -33.216 27.866 0.00 0.00 WAT1 ATOM 3217 H2 TIP3 270 -9.839 -33.238 27.173 0.00 0.00 WAT1 ATOM 3218 OH2 TIP3 271 -10.005 -33.118 24.746 0.00 0.00 WAT1 ATOM 3219 H1 TIP3 271 -10.649 -33.749 25.068 0.00 0.00 WAT1 ATOM 3220 H2 TIP3 271 -9.243 -33.649 24.514 0.00 0.00 WAT1 ATOM 3221 OH2 TIP3 272 -14.446 -37.391 24.837 0.00 0.00 WAT1 ATOM 3222 H1 TIP3 272 -14.382 -38.185 25.368 0.00 0.00 WAT1 ATOM 3223 H2 TIP3 272 -13.793 -37.510 24.148 0.00 0.00 WAT1 ATOM 3224 OH2 TIP3 273 -13.297 -39.419 27.143 0.00 0.00 WAT1 ATOM 3225 H1 TIP3 273 -13.756 -39.903 27.829 0.00 0.00 WAT1 ATOM 3226 H2 TIP3 273 -13.042 -40.087 26.507 0.00 0.00 WAT1 ATOM 3227 OH2 TIP3 274 -12.226 -41.176 25.406 0.00 0.00 WAT1 ATOM 3228 H1 TIP3 274 -12.406 -41.330 24.478 0.00 0.00 WAT1 ATOM 3229 H2 TIP3 274 -11.275 -41.068 25.450 0.00 0.00 WAT1 ATOM 3230 OH2 TIP3 275 -2.377 -37.952 28.826 0.00 0.00 WAT1 ATOM 3231 H1 TIP3 275 -1.527 -37.531 28.954 0.00 0.00 WAT1 ATOM 3232 H2 TIP3 275 -2.372 -38.692 29.434 0.00 0.00 WAT1 ATOM 3233 OH2 TIP3 276 -1.983 -39.899 30.650 0.00 0.00 WAT1 ATOM 3234 H1 TIP3 276 -2.709 -40.378 31.048 0.00 0.00 WAT1 ATOM 3235 H2 TIP3 276 -1.402 -39.693 31.382 0.00 0.00 WAT1 ATOM 3236 OH2 TIP3 277 -4.196 -41.378 31.213 0.00 0.00 WAT1 ATOM 3237 H1 TIP3 277 -4.346 -42.323 31.193 0.00 0.00 WAT1 ATOM 3238 H2 TIP3 277 -4.550 -41.097 32.057 0.00 0.00 WAT1 ATOM 3239 OH2 TIP3 278 -4.118 -45.350 24.709 0.00 0.00 WAT1 ATOM 3240 H1 TIP3 278 -3.508 -45.722 25.346 0.00 0.00 WAT1 ATOM 3241 H2 TIP3 278 -4.955 -45.772 24.905 0.00 0.00 WAT1 ATOM 3242 OH2 TIP3 279 -4.486 -43.795 29.675 0.00 0.00 WAT1 ATOM 3243 H1 TIP3 279 -4.206 -44.702 29.800 0.00 0.00 WAT1 ATOM 3244 H2 TIP3 279 -3.727 -43.361 29.286 0.00 0.00 WAT1 ATOM 3245 OH2 TIP3 280 -2.006 -46.465 26.252 0.00 0.00 WAT1 ATOM 3246 H1 TIP3 280 -1.593 -47.186 25.776 0.00 0.00 WAT1 ATOM 3247 H2 TIP3 280 -1.324 -45.795 26.310 0.00 0.00 WAT1 ATOM 3248 OH2 TIP3 281 -9.683 -31.259 26.652 0.00 0.00 WAT1 ATOM 3249 H1 TIP3 281 -8.817 -30.893 26.474 0.00 0.00 WAT1 ATOM 3250 H2 TIP3 281 -9.930 -31.699 25.839 0.00 0.00 WAT1 ATOM 3251 OH2 TIP3 282 -2.974 -31.696 29.332 0.00 0.00 WAT1 ATOM 3252 H1 TIP3 282 -3.168 -32.444 28.767 0.00 0.00 WAT1 ATOM 3253 H2 TIP3 282 -3.013 -30.938 28.748 0.00 0.00 WAT1 ATOM 3254 OH2 TIP3 283 -2.221 -26.914 -20.370 0.00 0.00 WAT1 ATOM 3255 H1 TIP3 283 -2.172 -26.304 -19.634 0.00 0.00 WAT1 ATOM 3256 H2 TIP3 283 -1.795 -26.453 -21.093 0.00 0.00 WAT1 ATOM 3257 OH2 TIP3 284 -1.829 -25.436 -18.134 0.00 0.00 WAT1 ATOM 3258 H1 TIP3 284 -2.518 -24.778 -18.229 0.00 0.00 WAT1 ATOM 3259 H2 TIP3 284 -1.814 -25.633 -17.197 0.00 0.00 WAT1 ATOM 3260 OH2 TIP3 285 -1.403 -15.240 -15.799 0.00 0.00 WAT1 ATOM 3261 H1 TIP3 285 -1.452 -16.195 -15.836 0.00 0.00 WAT1 ATOM 3262 H2 TIP3 285 -2.229 -14.972 -15.397 0.00 0.00 WAT1 ATOM 3263 OH2 TIP3 286 -4.251 -23.747 -15.319 0.00 0.00 WAT1 ATOM 3264 H1 TIP3 286 -4.658 -23.266 -16.039 0.00 0.00 WAT1 ATOM 3265 H2 TIP3 286 -4.210 -24.652 -15.626 0.00 0.00 WAT1 ATOM 3266 OH2 TIP3 287 -1.858 -18.199 -15.856 0.00 0.00 WAT1 ATOM 3267 H1 TIP3 287 -2.710 -17.961 -16.223 0.00 0.00 WAT1 ATOM 3268 H2 TIP3 287 -1.268 -18.216 -16.609 0.00 0.00 WAT1 ATOM 3269 OH2 TIP3 288 -3.678 -17.353 -13.256 0.00 0.00 WAT1 ATOM 3270 H1 TIP3 288 -4.544 -17.458 -12.862 0.00 0.00 WAT1 ATOM 3271 H2 TIP3 288 -3.302 -16.594 -12.809 0.00 0.00 WAT1 ATOM 3272 OH2 TIP3 289 -3.340 -20.552 -15.716 0.00 0.00 WAT1 ATOM 3273 H1 TIP3 289 -2.757 -21.286 -15.525 0.00 0.00 WAT1 ATOM 3274 H2 TIP3 289 -2.776 -19.780 -15.670 0.00 0.00 WAT1 ATOM 3275 OH2 TIP3 290 -1.843 -22.649 -15.032 0.00 0.00 WAT1 ATOM 3276 H1 TIP3 290 -2.706 -23.028 -15.197 0.00 0.00 WAT1 ATOM 3277 H2 TIP3 290 -1.239 -23.388 -15.106 0.00 0.00 WAT1 ATOM 3278 OH2 TIP3 291 -1.562 -29.641 -13.327 0.00 0.00 WAT1 ATOM 3279 H1 TIP3 291 -1.212 -30.295 -13.933 0.00 0.00 WAT1 ATOM 3280 H2 TIP3 291 -1.415 -28.804 -13.767 0.00 0.00 WAT1 ATOM 3281 OH2 TIP3 292 -2.042 -27.532 -14.978 0.00 0.00 WAT1 ATOM 3282 H1 TIP3 292 -2.959 -27.261 -15.014 0.00 0.00 WAT1 ATOM 3283 H2 TIP3 292 -1.919 -28.067 -15.762 0.00 0.00 WAT1 ATOM 3284 OH2 TIP3 293 -3.041 -29.442 -17.159 0.00 0.00 WAT1 ATOM 3285 H1 TIP3 293 -3.854 -29.117 -17.547 0.00 0.00 WAT1 ATOM 3286 H2 TIP3 293 -2.808 -30.202 -17.692 0.00 0.00 WAT1 ATOM 3287 OH2 TIP3 294 -5.567 -18.009 -4.479 0.00 0.00 WAT1 ATOM 3288 H1 TIP3 294 -6.008 -18.729 -4.029 0.00 0.00 WAT1 ATOM 3289 H2 TIP3 294 -5.580 -17.288 -3.849 0.00 0.00 WAT1 ATOM 3290 OH2 TIP3 295 -7.743 -24.121 -2.047 0.00 0.00 WAT1 ATOM 3291 H1 TIP3 295 -7.600 -25.068 -2.027 0.00 0.00 WAT1 ATOM 3292 H2 TIP3 295 -7.849 -23.914 -2.976 0.00 0.00 WAT1 ATOM 3293 OH2 TIP3 296 -6.866 -25.889 -6.374 0.00 0.00 WAT1 ATOM 3294 H1 TIP3 296 -6.220 -26.218 -5.749 0.00 0.00 WAT1 ATOM 3295 H2 TIP3 296 -6.356 -25.371 -6.997 0.00 0.00 WAT1 ATOM 3296 OH2 TIP3 297 -5.102 -26.598 -4.393 0.00 0.00 WAT1 ATOM 3297 H1 TIP3 297 -5.317 -27.364 -3.861 0.00 0.00 WAT1 ATOM 3298 H2 TIP3 297 -4.446 -26.126 -3.880 0.00 0.00 WAT1 ATOM 3299 OH2 TIP3 298 -5.055 -16.169 -2.131 0.00 0.00 WAT1 ATOM 3300 H1 TIP3 298 -5.997 -16.111 -1.970 0.00 0.00 WAT1 ATOM 3301 H2 TIP3 298 -4.779 -15.263 -2.268 0.00 0.00 WAT1 ATOM 3302 OH2 TIP3 299 -4.755 -27.883 -0.714 0.00 0.00 WAT1 ATOM 3303 H1 TIP3 299 -5.491 -27.272 -0.752 0.00 0.00 WAT1 ATOM 3304 H2 TIP3 299 -4.071 -27.468 -1.240 0.00 0.00 WAT1 ATOM 3305 OH2 TIP3 300 -5.644 -16.487 -6.997 0.00 0.00 WAT1 ATOM 3306 H1 TIP3 300 -5.901 -17.177 -7.609 0.00 0.00 WAT1 ATOM 3307 H2 TIP3 300 -5.573 -16.930 -6.152 0.00 0.00 WAT1 ATOM 3308 OH2 TIP3 301 -3.958 -17.921 1.480 0.00 0.00 WAT1 ATOM 3309 H1 TIP3 301 -3.818 -18.512 0.741 0.00 0.00 WAT1 ATOM 3310 H2 TIP3 301 -3.790 -17.048 1.124 0.00 0.00 WAT1 ATOM 3311 OH2 TIP3 302 -6.079 -20.749 -7.796 0.00 0.00 WAT1 ATOM 3312 H1 TIP3 302 -6.811 -20.521 -7.223 0.00 0.00 WAT1 ATOM 3313 H2 TIP3 302 -5.632 -21.463 -7.341 0.00 0.00 WAT1 ATOM 3314 OH2 TIP3 303 -6.182 -22.575 1.272 0.00 0.00 WAT1 ATOM 3315 H1 TIP3 303 -6.102 -21.812 1.844 0.00 0.00 WAT1 ATOM 3316 H2 TIP3 303 -6.783 -22.296 0.581 0.00 0.00 WAT1 ATOM 3317 OH2 TIP3 304 -7.208 -21.587 -10.111 0.00 0.00 WAT1 ATOM 3318 H1 TIP3 304 -6.629 -21.437 -9.364 0.00 0.00 WAT1 ATOM 3319 H2 TIP3 304 -6.794 -21.116 -10.834 0.00 0.00 WAT1 ATOM 3320 OH2 TIP3 305 -3.510 -29.837 -10.298 0.00 0.00 WAT1 ATOM 3321 H1 TIP3 305 -4.409 -29.698 -10.003 0.00 0.00 WAT1 ATOM 3322 H2 TIP3 305 -3.258 -29.006 -10.700 0.00 0.00 WAT1 ATOM 3323 OH2 TIP3 306 -2.320 -15.471 -11.921 0.00 0.00 WAT1 ATOM 3324 H1 TIP3 306 -2.247 -14.532 -11.751 0.00 0.00 WAT1 ATOM 3325 H2 TIP3 306 -1.415 -15.776 -11.978 0.00 0.00 WAT1 ATOM 3326 OH2 TIP3 307 -4.251 -23.747 3.537 0.00 0.00 WAT1 ATOM 3327 H1 TIP3 307 -4.658 -23.266 2.817 0.00 0.00 WAT1 ATOM 3328 H2 TIP3 307 -4.210 -24.652 3.230 0.00 0.00 WAT1 ATOM 3329 OH2 TIP3 308 -6.494 -25.415 1.758 0.00 0.00 WAT1 ATOM 3330 H1 TIP3 308 -7.008 -25.541 2.555 0.00 0.00 WAT1 ATOM 3331 H2 TIP3 308 -6.649 -24.503 1.513 0.00 0.00 WAT1 ATOM 3332 OH2 TIP3 309 -5.731 -20.554 -12.481 0.00 0.00 WAT1 ATOM 3333 H1 TIP3 309 -5.689 -20.777 -13.411 0.00 0.00 WAT1 ATOM 3334 H2 TIP3 309 -4.882 -20.156 -12.291 0.00 0.00 WAT1 ATOM 3335 OH2 TIP3 310 -7.408 -27.044 -2.113 0.00 0.00 WAT1 ATOM 3336 H1 TIP3 310 -8.085 -26.913 -1.449 0.00 0.00 WAT1 ATOM 3337 H2 TIP3 310 -7.894 -27.199 -2.923 0.00 0.00 WAT1 ATOM 3338 OH2 TIP3 311 -4.121 -11.372 4.164 0.00 0.00 WAT1 ATOM 3339 H1 TIP3 311 -3.921 -10.948 3.329 0.00 0.00 WAT1 ATOM 3340 H2 TIP3 311 -3.465 -11.029 4.771 0.00 0.00 WAT1 ATOM 3341 OH2 TIP3 312 -4.173 -19.757 -0.605 0.00 0.00 WAT1 ATOM 3342 H1 TIP3 312 -3.531 -19.300 -1.148 0.00 0.00 WAT1 ATOM 3343 H2 TIP3 312 -5.003 -19.644 -1.067 0.00 0.00 WAT1 ATOM 3344 OH2 TIP3 313 -6.707 -24.209 -9.531 0.00 0.00 WAT1 ATOM 3345 H1 TIP3 313 -5.815 -24.346 -9.212 0.00 0.00 WAT1 ATOM 3346 H2 TIP3 313 -6.650 -23.418 -10.068 0.00 0.00 WAT1 ATOM 3347 OH2 TIP3 314 -7.553 -16.244 1.796 0.00 0.00 WAT1 ATOM 3348 H1 TIP3 314 -8.454 -16.061 1.528 0.00 0.00 WAT1 ATOM 3349 H2 TIP3 314 -7.519 -15.985 2.717 0.00 0.00 WAT1 ATOM 3350 OH2 TIP3 315 -3.526 -15.213 -9.372 0.00 0.00 WAT1 ATOM 3351 H1 TIP3 315 -3.899 -16.039 -9.062 0.00 0.00 WAT1 ATOM 3352 H2 TIP3 315 -3.249 -15.396 -10.269 0.00 0.00 WAT1 ATOM 3353 OH2 TIP3 316 -6.366 -20.405 -2.350 0.00 0.00 WAT1 ATOM 3354 H1 TIP3 316 -7.294 -20.637 -2.377 0.00 0.00 WAT1 ATOM 3355 H2 TIP3 316 -5.915 -21.182 -2.680 0.00 0.00 WAT1 ATOM 3356 OH2 TIP3 317 -6.134 -17.237 -11.551 0.00 0.00 WAT1 ATOM 3357 H1 TIP3 317 -5.781 -17.617 -10.747 0.00 0.00 WAT1 ATOM 3358 H2 TIP3 317 -7.083 -17.330 -11.465 0.00 0.00 WAT1 ATOM 3359 OH2 TIP3 318 -5.678 -13.614 1.844 0.00 0.00 WAT1 ATOM 3360 H1 TIP3 318 -6.280 -14.169 1.349 0.00 0.00 WAT1 ATOM 3361 H2 TIP3 318 -5.397 -12.947 1.218 0.00 0.00 WAT1 ATOM 3362 OH2 TIP3 319 -1.630 -12.757 -11.350 0.00 0.00 WAT1 ATOM 3363 H1 TIP3 319 -0.887 -12.171 -11.490 0.00 0.00 WAT1 ATOM 3364 H2 TIP3 319 -2.325 -12.189 -11.017 0.00 0.00 WAT1 ATOM 3365 OH2 TIP3 320 -5.268 -18.564 -9.325 0.00 0.00 WAT1 ATOM 3366 H1 TIP3 320 -5.545 -19.292 -8.769 0.00 0.00 WAT1 ATOM 3367 H2 TIP3 320 -4.341 -18.445 -9.119 0.00 0.00 WAT1 ATOM 3368 OH2 TIP3 321 -4.097 -26.367 2.093 0.00 0.00 WAT1 ATOM 3369 H1 TIP3 321 -5.013 -26.104 2.005 0.00 0.00 WAT1 ATOM 3370 H2 TIP3 321 -3.761 -26.370 1.196 0.00 0.00 WAT1 ATOM 3371 OH2 TIP3 322 -5.495 -22.616 -3.811 0.00 0.00 WAT1 ATOM 3372 H1 TIP3 322 -6.292 -23.031 -4.140 0.00 0.00 WAT1 ATOM 3373 H2 TIP3 322 -5.050 -23.307 -3.320 0.00 0.00 WAT1 ATOM 3374 OH2 TIP3 323 -7.520 -15.390 4.388 0.00 0.00 WAT1 ATOM 3375 H1 TIP3 323 -7.871 -16.246 4.631 0.00 0.00 WAT1 ATOM 3376 H2 TIP3 323 -6.794 -15.247 4.995 0.00 0.00 WAT1 ATOM 3377 OH2 TIP3 324 -6.397 -18.993 1.809 0.00 0.00 WAT1 ATOM 3378 H1 TIP3 324 -5.652 -18.405 1.689 0.00 0.00 WAT1 ATOM 3379 H2 TIP3 324 -7.154 -18.411 1.872 0.00 0.00 WAT1 ATOM 3380 OH2 TIP3 325 -2.836 -19.965 -12.861 0.00 0.00 WAT1 ATOM 3381 H1 TIP3 325 -3.109 -20.390 -13.674 0.00 0.00 WAT1 ATOM 3382 H2 TIP3 325 -2.796 -19.034 -13.078 0.00 0.00 WAT1 ATOM 3383 OH2 TIP3 326 -7.258 -23.691 5.630 0.00 0.00 WAT1 ATOM 3384 H1 TIP3 326 -7.066 -24.622 5.519 0.00 0.00 WAT1 ATOM 3385 H2 TIP3 326 -6.401 -23.266 5.620 0.00 0.00 WAT1 ATOM 3386 OH2 TIP3 327 -5.942 -20.902 3.708 0.00 0.00 WAT1 ATOM 3387 H1 TIP3 327 -6.223 -20.193 3.130 0.00 0.00 WAT1 ATOM 3388 H2 TIP3 327 -4.999 -20.975 3.557 0.00 0.00 WAT1 ATOM 3389 OH2 TIP3 328 -6.836 -27.406 5.438 0.00 0.00 WAT1 ATOM 3390 H1 TIP3 328 -6.933 -28.358 5.432 0.00 0.00 WAT1 ATOM 3391 H2 TIP3 328 -7.158 -27.137 6.299 0.00 0.00 WAT1 ATOM 3392 OH2 TIP3 329 -1.692 -12.710 -1.960 0.00 0.00 WAT1 ATOM 3393 H1 TIP3 329 -1.714 -12.525 -1.021 0.00 0.00 WAT1 ATOM 3394 H2 TIP3 329 -1.002 -12.141 -2.301 0.00 0.00 WAT1 ATOM 3395 OH2 TIP3 330 -2.129 -13.143 0.962 0.00 0.00 WAT1 ATOM 3396 H1 TIP3 330 -2.616 -13.878 0.591 0.00 0.00 WAT1 ATOM 3397 H2 TIP3 330 -1.580 -13.536 1.640 0.00 0.00 WAT1 ATOM 3398 OH2 TIP3 331 -2.224 -18.258 -2.114 0.00 0.00 WAT1 ATOM 3399 H1 TIP3 331 -1.390 -18.636 -2.395 0.00 0.00 WAT1 ATOM 3400 H2 TIP3 331 -2.112 -17.315 -2.233 0.00 0.00 WAT1 ATOM 3401 OH2 TIP3 332 -3.737 -15.380 0.193 0.00 0.00 WAT1 ATOM 3402 H1 TIP3 332 -4.385 -15.055 0.818 0.00 0.00 WAT1 ATOM 3403 H2 TIP3 332 -4.255 -15.820 -0.482 0.00 0.00 WAT1 ATOM 3404 OH2 TIP3 333 -3.366 -23.902 -12.120 0.00 0.00 WAT1 ATOM 3405 H1 TIP3 333 -3.269 -23.235 -12.800 0.00 0.00 WAT1 ATOM 3406 H2 TIP3 333 -3.506 -24.718 -12.602 0.00 0.00 WAT1 ATOM 3407 OH2 TIP3 334 -4.196 -22.522 -6.499 0.00 0.00 WAT1 ATOM 3408 H1 TIP3 334 -4.346 -23.467 -6.519 0.00 0.00 WAT1 ATOM 3409 H2 TIP3 334 -4.550 -22.241 -5.655 0.00 0.00 WAT1 ATOM 3410 OH2 TIP3 335 -4.118 -26.494 -13.003 0.00 0.00 WAT1 ATOM 3411 H1 TIP3 335 -3.508 -26.866 -12.366 0.00 0.00 WAT1 ATOM 3412 H2 TIP3 335 -4.955 -26.916 -12.807 0.00 0.00 WAT1 ATOM 3413 OH2 TIP3 336 -4.486 -24.939 -8.037 0.00 0.00 WAT1 ATOM 3414 H1 TIP3 336 -4.206 -25.846 -7.912 0.00 0.00 WAT1 ATOM 3415 H2 TIP3 336 -3.727 -24.505 -8.426 0.00 0.00 WAT1 ATOM 3416 OH2 TIP3 337 -3.872 -27.676 -7.988 0.00 0.00 WAT1 ATOM 3417 H1 TIP3 337 -3.690 -28.125 -7.163 0.00 0.00 WAT1 ATOM 3418 H2 TIP3 337 -4.472 -28.261 -8.452 0.00 0.00 WAT1 ATOM 3419 OH2 TIP3 338 -2.006 -27.609 -11.460 0.00 0.00 WAT1 ATOM 3420 H1 TIP3 338 -1.593 -28.330 -11.936 0.00 0.00 WAT1 ATOM 3421 H2 TIP3 338 -1.324 -26.939 -11.402 0.00 0.00 WAT1 ATOM 3422 OH2 TIP3 339 -3.041 -29.442 1.697 0.00 0.00 WAT1 ATOM 3423 H1 TIP3 339 -3.854 -29.117 1.309 0.00 0.00 WAT1 ATOM 3424 H2 TIP3 339 -2.808 -30.202 1.164 0.00 0.00 WAT1 ATOM 3425 OH2 TIP3 340 -4.469 -29.886 -3.868 0.00 0.00 WAT1 ATOM 3426 H1 TIP3 340 -3.865 -29.338 -4.369 0.00 0.00 WAT1 ATOM 3427 H2 TIP3 340 -5.338 -29.566 -4.108 0.00 0.00 WAT1 ATOM 3428 OH2 TIP3 341 -2.742 -28.747 -5.534 0.00 0.00 WAT1 ATOM 3429 H1 TIP3 341 -2.130 -29.261 -6.061 0.00 0.00 WAT1 ATOM 3430 H2 TIP3 341 -2.359 -27.869 -5.511 0.00 0.00 WAT1 ATOM 3431 OH2 TIP3 342 -7.148 -29.402 -4.696 0.00 0.00 WAT1 ATOM 3432 H1 TIP3 342 -7.072 -29.307 -5.645 0.00 0.00 WAT1 ATOM 3433 H2 TIP3 342 -7.424 -30.310 -4.567 0.00 0.00 WAT1 ATOM 3434 OH2 TIP3 343 -5.795 -29.376 -9.003 0.00 0.00 WAT1 ATOM 3435 H1 TIP3 343 -6.498 -28.762 -9.213 0.00 0.00 WAT1 ATOM 3436 H2 TIP3 343 -6.240 -30.214 -8.872 0.00 0.00 WAT1 ATOM 3437 OH2 TIP3 344 -2.974 -12.840 -8.380 0.00 0.00 WAT1 ATOM 3438 H1 TIP3 344 -3.168 -13.588 -8.945 0.00 0.00 WAT1 ATOM 3439 H2 TIP3 344 -3.013 -12.082 -8.964 0.00 0.00 WAT1 ATOM 3440 OH2 TIP3 345 -6.932 -30.162 5.077 0.00 0.00 WAT1 ATOM 3441 H1 TIP3 345 -6.856 -30.588 5.931 0.00 0.00 WAT1 ATOM 3442 H2 TIP3 345 -6.039 -30.148 4.735 0.00 0.00 WAT1 ATOM 3443 OH2 TIP3 346 -8.206 -20.203 12.656 0.00 0.00 WAT1 ATOM 3444 H1 TIP3 346 -8.117 -19.259 12.524 0.00 0.00 WAT1 ATOM 3445 H2 TIP3 346 -8.845 -20.478 11.998 0.00 0.00 WAT1 ATOM 3446 OH2 TIP3 347 -9.273 -20.948 16.075 0.00 0.00 WAT1 ATOM 3447 H1 TIP3 347 -9.311 -21.594 16.780 0.00 0.00 WAT1 ATOM 3448 H2 TIP3 347 -9.596 -21.414 15.304 0.00 0.00 WAT1 ATOM 3449 OH2 TIP3 348 -5.567 -18.009 14.377 0.00 0.00 WAT1 ATOM 3450 H1 TIP3 348 -6.008 -18.729 14.827 0.00 0.00 WAT1 ATOM 3451 H2 TIP3 348 -5.580 -17.288 15.007 0.00 0.00 WAT1 ATOM 3452 OH2 TIP3 349 -14.588 -26.020 14.081 0.00 0.00 WAT1 ATOM 3453 H1 TIP3 349 -14.545 -25.160 13.663 0.00 0.00 WAT1 ATOM 3454 H2 TIP3 349 -15.046 -26.572 13.448 0.00 0.00 WAT1 ATOM 3455 OH2 TIP3 350 -12.812 -22.073 14.059 0.00 0.00 WAT1 ATOM 3456 H1 TIP3 350 -12.196 -22.599 14.568 0.00 0.00 WAT1 ATOM 3457 H2 TIP3 350 -13.398 -22.713 13.655 0.00 0.00 WAT1 ATOM 3458 OH2 TIP3 351 -8.409 -17.602 11.699 0.00 0.00 WAT1 ATOM 3459 H1 TIP3 351 -8.705 -17.924 10.848 0.00 0.00 WAT1 ATOM 3460 H2 TIP3 351 -8.733 -16.702 11.741 0.00 0.00 WAT1 ATOM 3461 OH2 TIP3 352 -5.055 -16.169 16.725 0.00 0.00 WAT1 ATOM 3462 H1 TIP3 352 -5.997 -16.111 16.886 0.00 0.00 WAT1 ATOM 3463 H2 TIP3 352 -4.779 -15.263 16.588 0.00 0.00 WAT1 ATOM 3464 OH2 TIP3 353 -11.752 -29.796 15.608 0.00 0.00 WAT1 ATOM 3465 H1 TIP3 353 -11.869 -30.745 15.554 0.00 0.00 WAT1 ATOM 3466 H2 TIP3 353 -12.607 -29.464 15.881 0.00 0.00 WAT1 ATOM 3467 OH2 TIP3 354 -6.803 -14.388 13.350 0.00 0.00 WAT1 ATOM 3468 H1 TIP3 354 -6.378 -15.095 12.865 0.00 0.00 WAT1 ATOM 3469 H2 TIP3 354 -6.486 -13.587 12.933 0.00 0.00 WAT1 ATOM 3470 OH2 TIP3 355 -5.644 -16.487 11.859 0.00 0.00 WAT1 ATOM 3471 H1 TIP3 355 -5.901 -17.177 11.247 0.00 0.00 WAT1 ATOM 3472 H2 TIP3 355 -5.573 -16.930 12.704 0.00 0.00 WAT1 ATOM 3473 OH2 TIP3 356 -9.485 -20.959 10.108 0.00 0.00 WAT1 ATOM 3474 H1 TIP3 356 -10.197 -20.424 9.757 0.00 0.00 WAT1 ATOM 3475 H2 TIP3 356 -8.794 -20.903 9.448 0.00 0.00 WAT1 ATOM 3476 OH2 TIP3 357 -9.431 -22.501 7.147 0.00 0.00 WAT1 ATOM 3477 H1 TIP3 357 -8.730 -22.479 7.798 0.00 0.00 WAT1 ATOM 3478 H2 TIP3 357 -9.129 -23.129 6.491 0.00 0.00 WAT1 ATOM 3479 OH2 TIP3 358 -6.079 -20.749 11.060 0.00 0.00 WAT1 ATOM 3480 H1 TIP3 358 -6.811 -20.521 11.633 0.00 0.00 WAT1 ATOM 3481 H2 TIP3 358 -5.632 -21.463 11.515 0.00 0.00 WAT1 ATOM 3482 OH2 TIP3 359 -7.758 -15.847 17.310 0.00 0.00 WAT1 ATOM 3483 H1 TIP3 359 -7.999 -15.185 17.958 0.00 0.00 WAT1 ATOM 3484 H2 TIP3 359 -7.956 -16.681 17.735 0.00 0.00 WAT1 ATOM 3485 OH2 TIP3 360 -13.187 -16.951 21.293 0.00 0.00 WAT1 ATOM 3486 H1 TIP3 360 -13.499 -16.169 21.749 0.00 0.00 WAT1 ATOM 3487 H2 TIP3 360 -13.837 -17.104 20.607 0.00 0.00 WAT1 ATOM 3488 OH2 TIP3 361 -7.208 -21.587 8.745 0.00 0.00 WAT1 ATOM 3489 H1 TIP3 361 -6.629 -21.437 9.492 0.00 0.00 WAT1 ATOM 3490 H2 TIP3 361 -6.794 -21.116 8.022 0.00 0.00 WAT1 ATOM 3491 OH2 TIP3 362 -10.424 -15.666 20.789 0.00 0.00 WAT1 ATOM 3492 H1 TIP3 362 -10.337 -14.840 21.264 0.00 0.00 WAT1 ATOM 3493 H2 TIP3 362 -11.288 -15.996 21.038 0.00 0.00 WAT1 ATOM 3494 OH2 TIP3 363 -6.908 -12.740 7.598 0.00 0.00 WAT1 ATOM 3495 H1 TIP3 363 -6.533 -13.484 7.127 0.00 0.00 WAT1 ATOM 3496 H2 TIP3 363 -6.904 -13.010 8.516 0.00 0.00 WAT1 ATOM 3497 OH2 TIP3 364 -7.239 -12.814 10.347 0.00 0.00 WAT1 ATOM 3498 H1 TIP3 364 -8.174 -12.714 10.526 0.00 0.00 WAT1 ATOM 3499 H2 TIP3 364 -6.959 -13.523 10.925 0.00 0.00 WAT1 ATOM 3500 OH2 TIP3 365 -9.820 -29.171 19.760 0.00 0.00 WAT1 ATOM 3501 H1 TIP3 365 -9.400 -29.586 20.513 0.00 0.00 WAT1 ATOM 3502 H2 TIP3 365 -10.753 -29.349 19.877 0.00 0.00 WAT1 ATOM 3503 OH2 TIP3 366 -5.731 -20.554 6.375 0.00 0.00 WAT1 ATOM 3504 H1 TIP3 366 -5.689 -20.777 5.445 0.00 0.00 WAT1 ATOM 3505 H2 TIP3 366 -4.882 -20.156 6.565 0.00 0.00 WAT1 ATOM 3506 OH2 TIP3 367 -10.158 -26.678 7.045 0.00 0.00 WAT1 ATOM 3507 H1 TIP3 367 -10.412 -26.659 7.968 0.00 0.00 WAT1 ATOM 3508 H2 TIP3 367 -10.415 -27.550 6.744 0.00 0.00 WAT1 ATOM 3509 OH2 TIP3 368 -14.395 -23.706 12.393 0.00 0.00 WAT1 ATOM 3510 H1 TIP3 368 -15.288 -24.047 12.334 0.00 0.00 WAT1 ATOM 3511 H2 TIP3 368 -13.944 -24.083 11.637 0.00 0.00 WAT1 ATOM 3512 OH2 TIP3 369 -9.757 -23.115 22.698 0.00 0.00 WAT1 ATOM 3513 H1 TIP3 369 -10.320 -23.819 23.018 0.00 0.00 WAT1 ATOM 3514 H2 TIP3 369 -8.931 -23.235 23.165 0.00 0.00 WAT1 ATOM 3515 OH2 TIP3 370 -8.591 -22.206 18.695 0.00 0.00 WAT1 ATOM 3516 H1 TIP3 370 -8.267 -22.837 18.052 0.00 0.00 WAT1 ATOM 3517 H2 TIP3 370 -9.031 -22.741 19.356 0.00 0.00 WAT1 ATOM 3518 OH2 TIP3 371 -11.813 -26.279 13.479 0.00 0.00 WAT1 ATOM 3519 H1 TIP3 371 -12.724 -26.222 13.768 0.00 0.00 WAT1 ATOM 3520 H2 TIP3 371 -11.308 -26.339 14.290 0.00 0.00 WAT1 ATOM 3521 OH2 TIP3 372 -13.332 -24.650 9.962 0.00 0.00 WAT1 ATOM 3522 H1 TIP3 372 -12.400 -24.521 10.140 0.00 0.00 WAT1 ATOM 3523 H2 TIP3 372 -13.547 -23.980 9.313 0.00 0.00 WAT1 ATOM 3524 OH2 TIP3 373 -4.121 -11.372 23.020 0.00 0.00 WAT1 ATOM 3525 H1 TIP3 373 -3.921 -10.948 22.185 0.00 0.00 WAT1 ATOM 3526 H2 TIP3 373 -3.465 -11.029 23.627 0.00 0.00 WAT1 ATOM 3527 OH2 TIP3 374 -10.493 -23.491 15.366 0.00 0.00 WAT1 ATOM 3528 H1 TIP3 374 -9.929 -24.038 14.819 0.00 0.00 WAT1 ATOM 3529 H2 TIP3 374 -10.641 -24.013 16.155 0.00 0.00 WAT1 ATOM 3530 OH2 TIP3 375 -11.867 -25.103 17.780 0.00 0.00 WAT1 ATOM 3531 H1 TIP3 375 -12.702 -24.649 17.890 0.00 0.00 WAT1 ATOM 3532 H2 TIP3 375 -11.343 -24.827 18.532 0.00 0.00 WAT1 ATOM 3533 OH2 TIP3 376 -9.803 -18.706 20.702 0.00 0.00 WAT1 ATOM 3534 H1 TIP3 376 -10.149 -19.087 21.508 0.00 0.00 WAT1 ATOM 3535 H2 TIP3 376 -10.003 -17.772 20.773 0.00 0.00 WAT1 ATOM 3536 OH2 TIP3 377 -12.173 -21.617 22.762 0.00 0.00 WAT1 ATOM 3537 H1 TIP3 377 -12.469 -21.783 21.867 0.00 0.00 WAT1 ATOM 3538 H2 TIP3 377 -11.242 -21.837 22.752 0.00 0.00 WAT1 ATOM 3539 OH2 TIP3 378 -7.553 -16.244 20.652 0.00 0.00 WAT1 ATOM 3540 H1 TIP3 378 -8.454 -16.061 20.384 0.00 0.00 WAT1 ATOM 3541 H2 TIP3 378 -7.519 -15.985 21.573 0.00 0.00 WAT1 ATOM 3542 OH2 TIP3 379 -6.366 -20.405 16.506 0.00 0.00 WAT1 ATOM 3543 H1 TIP3 379 -7.294 -20.637 16.479 0.00 0.00 WAT1 ATOM 3544 H2 TIP3 379 -5.915 -21.182 16.176 0.00 0.00 WAT1 ATOM 3545 OH2 TIP3 380 -8.337 -18.166 18.231 0.00 0.00 WAT1 ATOM 3546 H1 TIP3 380 -8.763 -18.393 19.057 0.00 0.00 WAT1 ATOM 3547 H2 TIP3 380 -7.756 -18.904 18.048 0.00 0.00 WAT1 ATOM 3548 OH2 TIP3 381 -6.134 -17.237 7.305 0.00 0.00 WAT1 ATOM 3549 H1 TIP3 381 -5.781 -17.617 8.109 0.00 0.00 WAT1 ATOM 3550 H2 TIP3 381 -7.083 -17.330 7.391 0.00 0.00 WAT1 ATOM 3551 OH2 TIP3 382 -5.678 -13.614 20.700 0.00 0.00 WAT1 ATOM 3552 H1 TIP3 382 -6.280 -14.169 20.205 0.00 0.00 WAT1 ATOM 3553 H2 TIP3 382 -5.397 -12.947 20.074 0.00 0.00 WAT1 ATOM 3554 OH2 TIP3 383 -5.268 -18.564 9.531 0.00 0.00 WAT1 ATOM 3555 H1 TIP3 383 -5.545 -19.292 10.087 0.00 0.00 WAT1 ATOM 3556 H2 TIP3 383 -4.341 -18.445 9.737 0.00 0.00 WAT1 ATOM 3557 OH2 TIP3 384 -10.837 -25.260 10.929 0.00 0.00 WAT1 ATOM 3558 H1 TIP3 384 -10.025 -24.756 10.975 0.00 0.00 WAT1 ATOM 3559 H2 TIP3 384 -11.082 -25.405 11.843 0.00 0.00 WAT1 ATOM 3560 OH2 TIP3 385 -10.301 -24.274 20.114 0.00 0.00 WAT1 ATOM 3561 H1 TIP3 385 -10.182 -23.700 20.871 0.00 0.00 WAT1 ATOM 3562 H2 TIP3 385 -9.646 -24.962 20.229 0.00 0.00 WAT1 ATOM 3563 OH2 TIP3 386 -4.408 -13.360 16.667 0.00 0.00 WAT1 ATOM 3564 H1 TIP3 386 -4.564 -12.682 16.010 0.00 0.00 WAT1 ATOM 3565 H2 TIP3 386 -3.476 -13.288 16.870 0.00 0.00 WAT1 ATOM 3566 OH2 TIP3 387 -7.520 -15.390 23.244 0.00 0.00 WAT1 ATOM 3567 H1 TIP3 387 -7.871 -16.246 23.487 0.00 0.00 WAT1 ATOM 3568 H2 TIP3 387 -6.794 -15.247 23.851 0.00 0.00 WAT1 ATOM 3569 OH2 TIP3 388 -5.401 -14.445 6.124 0.00 0.00 WAT1 ATOM 3570 H1 TIP3 388 -5.118 -15.239 6.577 0.00 0.00 WAT1 ATOM 3571 H2 TIP3 388 -4.661 -14.212 5.563 0.00 0.00 WAT1 ATOM 3572 OH2 TIP3 389 -12.132 -18.909 23.282 0.00 0.00 WAT1 ATOM 3573 H1 TIP3 389 -12.460 -18.638 22.424 0.00 0.00 WAT1 ATOM 3574 H2 TIP3 389 -11.980 -19.850 23.194 0.00 0.00 WAT1 ATOM 3575 OH2 TIP3 390 -13.256 -26.945 19.218 0.00 0.00 WAT1 ATOM 3576 H1 TIP3 390 -12.720 -26.494 18.566 0.00 0.00 WAT1 ATOM 3577 H2 TIP3 390 -14.108 -27.053 18.796 0.00 0.00 WAT1 ATOM 3578 OH2 TIP3 391 -11.674 -21.506 19.458 0.00 0.00 WAT1 ATOM 3579 H1 TIP3 391 -10.923 -21.662 18.885 0.00 0.00 WAT1 ATOM 3580 H2 TIP3 391 -12.013 -20.654 19.182 0.00 0.00 WAT1 ATOM 3581 OH2 TIP3 392 -7.258 -23.691 24.486 0.00 0.00 WAT1 ATOM 3582 H1 TIP3 392 -7.066 -24.622 24.375 0.00 0.00 WAT1 ATOM 3583 H2 TIP3 392 -6.401 -23.266 24.476 0.00 0.00 WAT1 ATOM 3584 OH2 TIP3 393 -12.450 -29.489 19.650 0.00 0.00 WAT1 ATOM 3585 H1 TIP3 393 -12.548 -28.542 19.544 0.00 0.00 WAT1 ATOM 3586 H2 TIP3 393 -13.193 -29.861 19.174 0.00 0.00 WAT1 ATOM 3587 OH2 TIP3 394 -11.186 -25.167 23.213 0.00 0.00 WAT1 ATOM 3588 H1 TIP3 394 -11.422 -25.387 24.115 0.00 0.00 WAT1 ATOM 3589 H2 TIP3 394 -11.969 -25.374 22.704 0.00 0.00 WAT1 ATOM 3590 OH2 TIP3 395 -8.470 -26.040 22.289 0.00 0.00 WAT1 ATOM 3591 H1 TIP3 395 -9.418 -26.008 22.421 0.00 0.00 WAT1 ATOM 3592 H2 TIP3 395 -8.158 -26.665 22.943 0.00 0.00 WAT1 ATOM 3593 OH2 TIP3 396 -6.836 -27.406 24.294 0.00 0.00 WAT1 ATOM 3594 H1 TIP3 396 -6.933 -28.358 24.288 0.00 0.00 WAT1 ATOM 3595 H2 TIP3 396 -7.158 -27.137 25.155 0.00 0.00 WAT1 ATOM 3596 OH2 TIP3 397 -12.228 -30.195 22.321 0.00 0.00 WAT1 ATOM 3597 H1 TIP3 397 -11.516 -30.835 22.307 0.00 0.00 WAT1 ATOM 3598 H2 TIP3 397 -12.329 -29.928 21.407 0.00 0.00 WAT1 ATOM 3599 OH2 TIP3 398 -3.737 -15.380 19.049 0.00 0.00 WAT1 ATOM 3600 H1 TIP3 398 -4.385 -15.055 19.674 0.00 0.00 WAT1 ATOM 3601 H2 TIP3 398 -4.255 -15.820 18.374 0.00 0.00 WAT1 ATOM 3602 OH2 TIP3 399 -4.118 -26.494 5.853 0.00 0.00 WAT1 ATOM 3603 H1 TIP3 399 -3.508 -26.866 6.490 0.00 0.00 WAT1 ATOM 3604 H2 TIP3 399 -4.955 -26.916 6.049 0.00 0.00 WAT1 ATOM 3605 OH2 TIP3 400 -4.954 -12.620 12.468 0.00 0.00 WAT1 ATOM 3606 H1 TIP3 400 -4.301 -12.967 11.860 0.00 0.00 WAT1 ATOM 3607 H2 TIP3 400 -4.443 -12.131 13.114 0.00 0.00 WAT1 ATOM 3608 OH2 TIP3 401 -10.304 -13.317 22.229 0.00 0.00 WAT1 ATOM 3609 H1 TIP3 401 -10.119 -13.651 23.107 0.00 0.00 WAT1 ATOM 3610 H2 TIP3 401 -9.457 -13.008 21.907 0.00 0.00 WAT1 ATOM 3611 OH2 TIP3 402 -7.959 -12.032 21.473 0.00 0.00 WAT1 ATOM 3612 H1 TIP3 402 -7.282 -12.664 21.233 0.00 0.00 WAT1 ATOM 3613 H2 TIP3 402 -7.637 -11.630 22.281 0.00 0.00 WAT1 ATOM 3614 OH2 TIP3 403 -7.708 -13.094 18.468 0.00 0.00 WAT1 ATOM 3615 H1 TIP3 403 -8.612 -12.929 18.202 0.00 0.00 WAT1 ATOM 3616 H2 TIP3 403 -7.279 -12.241 18.402 0.00 0.00 WAT1 ATOM 3617 OH2 TIP3 404 -5.103 -11.524 18.763 0.00 0.00 WAT1 ATOM 3618 H1 TIP3 404 -5.285 -10.608 18.552 0.00 0.00 WAT1 ATOM 3619 H2 TIP3 404 -4.927 -11.934 17.916 0.00 0.00 WAT1 ATOM 3620 OH2 TIP3 405 -12.705 -29.432 12.511 0.00 0.00 WAT1 ATOM 3621 H1 TIP3 405 -11.831 -29.044 12.481 0.00 0.00 WAT1 ATOM 3622 H2 TIP3 405 -12.841 -29.647 13.434 0.00 0.00 WAT1 ATOM 3623 OH2 TIP3 406 -11.561 -27.352 9.401 0.00 0.00 WAT1 ATOM 3624 H1 TIP3 406 -11.383 -27.998 10.084 0.00 0.00 WAT1 ATOM 3625 H2 TIP3 406 -11.615 -26.518 9.868 0.00 0.00 WAT1 ATOM 3626 OH2 TIP3 407 -2.974 -12.840 10.476 0.00 0.00 WAT1 ATOM 3627 H1 TIP3 407 -3.168 -13.588 9.911 0.00 0.00 WAT1 ATOM 3628 H2 TIP3 407 -3.013 -12.082 9.892 0.00 0.00 WAT1 ATOM 3629 OH2 TIP3 408 -6.932 -30.162 23.933 0.00 0.00 WAT1 ATOM 3630 H1 TIP3 408 -6.856 -30.588 24.787 0.00 0.00 WAT1 ATOM 3631 H2 TIP3 408 -6.039 -30.148 23.591 0.00 0.00 WAT1 ATOM 3632 OH2 TIP3 409 -3.756 -14.089 22.626 0.00 0.00 WAT1 ATOM 3633 H1 TIP3 409 -4.538 -14.275 22.106 0.00 0.00 WAT1 ATOM 3634 H2 TIP3 409 -3.828 -13.160 22.843 0.00 0.00 WAT1 ATOM 3635 OH2 TIP3 410 -9.485 -20.959 28.964 0.00 0.00 WAT1 ATOM 3636 H1 TIP3 410 -10.197 -20.424 28.613 0.00 0.00 WAT1 ATOM 3637 H2 TIP3 410 -8.794 -20.903 28.304 0.00 0.00 WAT1 ATOM 3638 OH2 TIP3 411 -9.431 -22.501 26.003 0.00 0.00 WAT1 ATOM 3639 H1 TIP3 411 -8.730 -22.479 26.654 0.00 0.00 WAT1 ATOM 3640 H2 TIP3 411 -9.129 -23.129 25.347 0.00 0.00 WAT1 ATOM 3641 OH2 TIP3 412 -6.079 -20.749 29.916 0.00 0.00 WAT1 ATOM 3642 H1 TIP3 412 -6.811 -20.521 30.489 0.00 0.00 WAT1 ATOM 3643 H2 TIP3 412 -5.632 -21.463 30.371 0.00 0.00 WAT1 ATOM 3644 OH2 TIP3 413 -7.208 -21.587 27.601 0.00 0.00 WAT1 ATOM 3645 H1 TIP3 413 -6.629 -21.437 28.348 0.00 0.00 WAT1 ATOM 3646 H2 TIP3 413 -6.794 -21.116 26.878 0.00 0.00 WAT1 ATOM 3647 OH2 TIP3 414 -3.510 -29.837 27.414 0.00 0.00 WAT1 ATOM 3648 H1 TIP3 414 -4.409 -29.698 27.709 0.00 0.00 WAT1 ATOM 3649 H2 TIP3 414 -3.258 -29.006 27.012 0.00 0.00 WAT1 ATOM 3650 OH2 TIP3 415 -2.320 -15.471 25.791 0.00 0.00 WAT1 ATOM 3651 H1 TIP3 415 -2.247 -14.532 25.961 0.00 0.00 WAT1 ATOM 3652 H2 TIP3 415 -1.415 -15.776 25.734 0.00 0.00 WAT1 ATOM 3653 OH2 TIP3 416 -6.908 -12.740 26.454 0.00 0.00 WAT1 ATOM 3654 H1 TIP3 416 -6.533 -13.484 25.983 0.00 0.00 WAT1 ATOM 3655 H2 TIP3 416 -6.904 -13.010 27.372 0.00 0.00 WAT1 ATOM 3656 OH2 TIP3 417 -11.323 -18.890 28.321 0.00 0.00 WAT1 ATOM 3657 H1 TIP3 417 -12.067 -19.397 27.998 0.00 0.00 WAT1 ATOM 3658 H2 TIP3 417 -11.457 -18.841 29.267 0.00 0.00 WAT1 ATOM 3659 OH2 TIP3 418 -7.425 -26.076 26.520 0.00 0.00 WAT1 ATOM 3660 H1 TIP3 418 -8.363 -25.964 26.369 0.00 0.00 WAT1 ATOM 3661 H2 TIP3 418 -7.128 -25.219 26.826 0.00 0.00 WAT1 ATOM 3662 OH2 TIP3 419 -6.707 -24.209 28.181 0.00 0.00 WAT1 ATOM 3663 H1 TIP3 419 -5.815 -24.346 28.500 0.00 0.00 WAT1 ATOM 3664 H2 TIP3 419 -6.650 -23.418 27.644 0.00 0.00 WAT1 ATOM 3665 OH2 TIP3 420 -9.197 -17.431 27.346 0.00 0.00 WAT1 ATOM 3666 H1 TIP3 420 -9.492 -16.605 27.728 0.00 0.00 WAT1 ATOM 3667 H2 TIP3 420 -9.900 -18.051 27.542 0.00 0.00 WAT1 ATOM 3668 OH2 TIP3 421 -1.822 -23.999 27.875 0.00 0.00 WAT1 ATOM 3669 H1 TIP3 421 -2.376 -24.395 27.203 0.00 0.00 WAT1 ATOM 3670 H2 TIP3 421 -1.721 -23.089 27.598 0.00 0.00 WAT1 ATOM 3671 OH2 TIP3 422 -3.526 -15.213 28.340 0.00 0.00 WAT1 ATOM 3672 H1 TIP3 422 -3.899 -16.039 28.650 0.00 0.00 WAT1 ATOM 3673 H2 TIP3 422 -3.249 -15.396 27.443 0.00 0.00 WAT1 ATOM 3674 OH2 TIP3 423 -1.630 -12.757 26.362 0.00 0.00 WAT1 ATOM 3675 H1 TIP3 423 -0.887 -12.171 26.222 0.00 0.00 WAT1 ATOM 3676 H2 TIP3 423 -2.325 -12.189 26.695 0.00 0.00 WAT1 ATOM 3677 OH2 TIP3 424 -5.268 -18.564 28.387 0.00 0.00 WAT1 ATOM 3678 H1 TIP3 424 -5.545 -19.292 28.943 0.00 0.00 WAT1 ATOM 3679 H2 TIP3 424 -4.341 -18.445 28.593 0.00 0.00 WAT1 ATOM 3680 OH2 TIP3 425 -12.043 -16.125 24.608 0.00 0.00 WAT1 ATOM 3681 H1 TIP3 425 -11.804 -16.873 24.060 0.00 0.00 WAT1 ATOM 3682 H2 TIP3 425 -12.312 -16.513 25.440 0.00 0.00 WAT1 ATOM 3683 OH2 TIP3 426 -10.005 -14.262 24.746 0.00 0.00 WAT1 ATOM 3684 H1 TIP3 426 -10.649 -14.893 25.068 0.00 0.00 WAT1 ATOM 3685 H2 TIP3 426 -9.243 -14.793 24.514 0.00 0.00 WAT1 ATOM 3686 OH2 TIP3 427 -5.401 -14.445 24.980 0.00 0.00 WAT1 ATOM 3687 H1 TIP3 427 -5.118 -15.239 25.433 0.00 0.00 WAT1 ATOM 3688 H2 TIP3 427 -4.661 -14.212 24.419 0.00 0.00 WAT1 ATOM 3689 OH2 TIP3 428 -9.094 -17.488 24.573 0.00 0.00 WAT1 ATOM 3690 H1 TIP3 428 -9.362 -17.308 25.474 0.00 0.00 WAT1 ATOM 3691 H2 TIP3 428 -9.300 -18.414 24.442 0.00 0.00 WAT1 ATOM 3692 OH2 TIP3 429 -12.226 -22.320 25.406 0.00 0.00 WAT1 ATOM 3693 H1 TIP3 429 -12.406 -22.474 24.478 0.00 0.00 WAT1 ATOM 3694 H2 TIP3 429 -11.275 -22.212 25.450 0.00 0.00 WAT1 ATOM 3695 OH2 TIP3 430 -2.377 -19.096 28.826 0.00 0.00 WAT1 ATOM 3696 H1 TIP3 430 -1.527 -18.675 28.954 0.00 0.00 WAT1 ATOM 3697 H2 TIP3 430 -2.372 -19.836 29.434 0.00 0.00 WAT1 ATOM 3698 OH2 TIP3 431 -1.715 -21.142 27.041 0.00 0.00 WAT1 ATOM 3699 H1 TIP3 431 -2.236 -20.785 26.322 0.00 0.00 WAT1 ATOM 3700 H2 TIP3 431 -1.748 -20.467 27.719 0.00 0.00 WAT1 ATOM 3701 OH2 TIP3 432 -3.366 -23.902 25.592 0.00 0.00 WAT1 ATOM 3702 H1 TIP3 432 -3.269 -23.235 24.912 0.00 0.00 WAT1 ATOM 3703 H2 TIP3 432 -3.506 -24.718 25.110 0.00 0.00 WAT1 ATOM 3704 OH2 TIP3 433 -4.118 -26.494 24.709 0.00 0.00 WAT1 ATOM 3705 H1 TIP3 433 -3.508 -26.866 25.346 0.00 0.00 WAT1 ATOM 3706 H2 TIP3 433 -4.955 -26.916 24.905 0.00 0.00 WAT1 ATOM 3707 OH2 TIP3 434 -2.006 -27.609 26.252 0.00 0.00 WAT1 ATOM 3708 H1 TIP3 434 -1.593 -28.330 25.776 0.00 0.00 WAT1 ATOM 3709 H2 TIP3 434 -1.324 -26.939 26.310 0.00 0.00 WAT1 ATOM 3710 OH2 TIP3 435 -5.795 -29.376 28.709 0.00 0.00 WAT1 ATOM 3711 H1 TIP3 435 -6.498 -28.762 28.499 0.00 0.00 WAT1 ATOM 3712 H2 TIP3 435 -6.240 -30.214 28.840 0.00 0.00 WAT1 ATOM 3713 OH2 TIP3 436 -4.251 -4.891 3.537 0.00 0.00 WAT1 ATOM 3714 H1 TIP3 436 -4.658 -4.410 2.817 0.00 0.00 WAT1 ATOM 3715 H2 TIP3 436 -4.210 -5.796 3.230 0.00 0.00 WAT1 ATOM 3716 OH2 TIP3 437 -1.843 -3.793 3.824 0.00 0.00 WAT1 ATOM 3717 H1 TIP3 437 -2.706 -4.172 3.659 0.00 0.00 WAT1 ATOM 3718 H2 TIP3 437 -1.239 -4.532 3.750 0.00 0.00 WAT1 ATOM 3719 OH2 TIP3 438 -1.562 -10.785 5.529 0.00 0.00 WAT1 ATOM 3720 H1 TIP3 438 -1.212 -11.439 4.923 0.00 0.00 WAT1 ATOM 3721 H2 TIP3 438 -1.415 -9.948 5.089 0.00 0.00 WAT1 ATOM 3722 OH2 TIP3 439 -2.042 -8.676 3.878 0.00 0.00 WAT1 ATOM 3723 H1 TIP3 439 -2.959 -8.405 3.842 0.00 0.00 WAT1 ATOM 3724 H2 TIP3 439 -1.919 -9.211 3.094 0.00 0.00 WAT1 ATOM 3725 OH2 TIP3 440 -3.041 -10.586 1.697 0.00 0.00 WAT1 ATOM 3726 H1 TIP3 440 -3.854 -10.261 1.309 0.00 0.00 WAT1 ATOM 3727 H2 TIP3 440 -2.808 -11.346 1.164 0.00 0.00 WAT1 ATOM 3728 OH2 TIP3 441 -6.932 -11.306 5.077 0.00 0.00 WAT1 ATOM 3729 H1 TIP3 441 -6.856 -11.732 5.931 0.00 0.00 WAT1 ATOM 3730 H2 TIP3 441 -6.039 -11.292 4.735 0.00 0.00 WAT1 ATOM 3731 OH2 TIP3 442 -6.866 -7.033 12.482 0.00 0.00 WAT1 ATOM 3732 H1 TIP3 442 -6.220 -7.362 13.107 0.00 0.00 WAT1 ATOM 3733 H2 TIP3 442 -6.356 -6.515 11.859 0.00 0.00 WAT1 ATOM 3734 OH2 TIP3 443 -5.102 -7.742 14.463 0.00 0.00 WAT1 ATOM 3735 H1 TIP3 443 -5.317 -8.508 14.995 0.00 0.00 WAT1 ATOM 3736 H2 TIP3 443 -4.446 -7.270 14.976 0.00 0.00 WAT1 ATOM 3737 OH2 TIP3 444 -4.755 -9.027 18.142 0.00 0.00 WAT1 ATOM 3738 H1 TIP3 444 -5.491 -8.416 18.104 0.00 0.00 WAT1 ATOM 3739 H2 TIP3 444 -4.071 -8.612 17.616 0.00 0.00 WAT1 ATOM 3740 OH2 TIP3 445 -2.116 -2.725 18.402 0.00 0.00 WAT1 ATOM 3741 H1 TIP3 445 -2.768 -2.030 18.491 0.00 0.00 WAT1 ATOM 3742 H2 TIP3 445 -1.651 -2.515 17.592 0.00 0.00 WAT1 ATOM 3743 OH2 TIP3 446 -6.079 -1.893 11.060 0.00 0.00 WAT1 ATOM 3744 H1 TIP3 446 -6.811 -1.665 11.633 0.00 0.00 WAT1 ATOM 3745 H2 TIP3 446 -5.632 -2.607 11.515 0.00 0.00 WAT1 ATOM 3746 OH2 TIP3 447 -6.182 -3.719 20.128 0.00 0.00 WAT1 ATOM 3747 H1 TIP3 447 -6.102 -2.956 20.700 0.00 0.00 WAT1 ATOM 3748 H2 TIP3 447 -6.783 -3.440 19.437 0.00 0.00 WAT1 ATOM 3749 OH2 TIP3 448 -7.208 -2.731 8.745 0.00 0.00 WAT1 ATOM 3750 H1 TIP3 448 -6.629 -2.581 9.492 0.00 0.00 WAT1 ATOM 3751 H2 TIP3 448 -6.794 -2.260 8.022 0.00 0.00 WAT1 ATOM 3752 OH2 TIP3 449 -3.510 -10.981 8.558 0.00 0.00 WAT1 ATOM 3753 H1 TIP3 449 -4.409 -10.842 8.853 0.00 0.00 WAT1 ATOM 3754 H2 TIP3 449 -3.258 -10.150 8.156 0.00 0.00 WAT1 ATOM 3755 OH2 TIP3 450 -4.251 -4.891 22.393 0.00 0.00 WAT1 ATOM 3756 H1 TIP3 450 -4.658 -4.410 21.673 0.00 0.00 WAT1 ATOM 3757 H2 TIP3 450 -4.210 -5.796 22.086 0.00 0.00 WAT1 ATOM 3758 OH2 TIP3 451 -6.494 -6.559 20.614 0.00 0.00 WAT1 ATOM 3759 H1 TIP3 451 -7.008 -6.685 21.411 0.00 0.00 WAT1 ATOM 3760 H2 TIP3 451 -6.649 -5.647 20.369 0.00 0.00 WAT1 ATOM 3761 OH2 TIP3 452 -5.731 -1.698 6.375 0.00 0.00 WAT1 ATOM 3762 H1 TIP3 452 -5.689 -1.921 5.445 0.00 0.00 WAT1 ATOM 3763 H2 TIP3 452 -4.882 -1.300 6.565 0.00 0.00 WAT1 ATOM 3764 OH2 TIP3 453 -7.408 -8.188 16.743 0.00 0.00 WAT1 ATOM 3765 H1 TIP3 453 -8.085 -8.057 17.407 0.00 0.00 WAT1 ATOM 3766 H2 TIP3 453 -7.894 -8.343 15.933 0.00 0.00 WAT1 ATOM 3767 OH2 TIP3 454 -7.425 -7.220 7.664 0.00 0.00 WAT1 ATOM 3768 H1 TIP3 454 -8.363 -7.108 7.513 0.00 0.00 WAT1 ATOM 3769 H2 TIP3 454 -7.128 -6.363 7.970 0.00 0.00 WAT1 ATOM 3770 OH2 TIP3 455 -6.707 -5.353 9.325 0.00 0.00 WAT1 ATOM 3771 H1 TIP3 455 -5.815 -5.490 9.644 0.00 0.00 WAT1 ATOM 3772 H2 TIP3 455 -6.650 -4.562 8.788 0.00 0.00 WAT1 ATOM 3773 OH2 TIP3 456 -5.268 0.292 9.531 0.00 0.00 WAT1 ATOM 3774 H1 TIP3 456 -5.545 -0.436 10.087 0.00 0.00 WAT1 ATOM 3775 H2 TIP3 456 -4.341 0.411 9.737 0.00 0.00 WAT1 ATOM 3776 OH2 TIP3 457 -8.821 -7.784 18.997 0.00 0.00 WAT1 ATOM 3777 H1 TIP3 457 -8.123 -7.710 19.647 0.00 0.00 WAT1 ATOM 3778 H2 TIP3 457 -9.202 -8.648 19.152 0.00 0.00 WAT1 ATOM 3779 OH2 TIP3 458 -8.037 -8.132 10.094 0.00 0.00 WAT1 ATOM 3780 H1 TIP3 458 -7.817 -7.660 9.291 0.00 0.00 WAT1 ATOM 3781 H2 TIP3 458 -7.479 -7.737 10.765 0.00 0.00 WAT1 ATOM 3782 OH2 TIP3 459 -5.495 -3.760 15.045 0.00 0.00 WAT1 ATOM 3783 H1 TIP3 459 -6.292 -4.175 14.716 0.00 0.00 WAT1 ATOM 3784 H2 TIP3 459 -5.050 -4.451 15.536 0.00 0.00 WAT1 ATOM 3785 OH2 TIP3 460 -2.836 -1.109 5.995 0.00 0.00 WAT1 ATOM 3786 H1 TIP3 460 -3.109 -1.534 5.182 0.00 0.00 WAT1 ATOM 3787 H2 TIP3 460 -2.796 -0.178 5.778 0.00 0.00 WAT1 ATOM 3788 OH2 TIP3 461 -6.836 -8.550 24.294 0.00 0.00 WAT1 ATOM 3789 H1 TIP3 461 -6.933 -9.502 24.288 0.00 0.00 WAT1 ATOM 3790 H2 TIP3 461 -7.158 -8.281 25.155 0.00 0.00 WAT1 ATOM 3791 OH2 TIP3 462 -2.377 -0.240 9.970 0.00 0.00 WAT1 ATOM 3792 H1 TIP3 462 -1.527 0.181 10.098 0.00 0.00 WAT1 ATOM 3793 H2 TIP3 462 -2.372 -0.980 10.578 0.00 0.00 WAT1 ATOM 3794 OH2 TIP3 463 -3.366 -5.046 6.736 0.00 0.00 WAT1 ATOM 3795 H1 TIP3 463 -3.269 -4.379 6.056 0.00 0.00 WAT1 ATOM 3796 H2 TIP3 463 -3.506 -5.862 6.254 0.00 0.00 WAT1 ATOM 3797 OH2 TIP3 464 -4.196 -3.666 12.357 0.00 0.00 WAT1 ATOM 3798 H1 TIP3 464 -4.346 -4.611 12.337 0.00 0.00 WAT1 ATOM 3799 H2 TIP3 464 -4.550 -3.385 13.201 0.00 0.00 WAT1 ATOM 3800 OH2 TIP3 465 -1.843 -3.793 22.680 0.00 0.00 WAT1 ATOM 3801 H1 TIP3 465 -2.706 -4.172 22.515 0.00 0.00 WAT1 ATOM 3802 H2 TIP3 465 -1.239 -4.532 22.606 0.00 0.00 WAT1 ATOM 3803 OH2 TIP3 466 -4.118 -7.638 5.853 0.00 0.00 WAT1 ATOM 3804 H1 TIP3 466 -3.508 -8.010 6.490 0.00 0.00 WAT1 ATOM 3805 H2 TIP3 466 -4.955 -8.060 6.049 0.00 0.00 WAT1 ATOM 3806 OH2 TIP3 467 -4.486 -6.083 10.819 0.00 0.00 WAT1 ATOM 3807 H1 TIP3 467 -4.206 -6.990 10.944 0.00 0.00 WAT1 ATOM 3808 H2 TIP3 467 -3.727 -5.649 10.430 0.00 0.00 WAT1 ATOM 3809 OH2 TIP3 468 -3.874 -5.502 16.255 0.00 0.00 WAT1 ATOM 3810 H1 TIP3 468 -2.941 -5.290 16.221 0.00 0.00 WAT1 ATOM 3811 H2 TIP3 468 -4.109 -5.400 17.178 0.00 0.00 WAT1 ATOM 3812 OH2 TIP3 469 -3.845 -4.765 19.031 0.00 0.00 WAT1 ATOM 3813 H1 TIP3 469 -4.688 -4.497 19.397 0.00 0.00 WAT1 ATOM 3814 H2 TIP3 469 -3.402 -3.943 18.820 0.00 0.00 WAT1 ATOM 3815 OH2 TIP3 470 -1.562 -10.785 24.385 0.00 0.00 WAT1 ATOM 3816 H1 TIP3 470 -1.212 -11.439 23.779 0.00 0.00 WAT1 ATOM 3817 H2 TIP3 470 -1.415 -9.948 23.945 0.00 0.00 WAT1 ATOM 3818 OH2 TIP3 471 -4.469 -11.030 14.988 0.00 0.00 WAT1 ATOM 3819 H1 TIP3 471 -3.865 -10.482 14.487 0.00 0.00 WAT1 ATOM 3820 H2 TIP3 471 -5.338 -10.710 14.748 0.00 0.00 WAT1 ATOM 3821 OH2 TIP3 472 -7.148 -10.546 14.160 0.00 0.00 WAT1 ATOM 3822 H1 TIP3 472 -7.072 -10.451 13.211 0.00 0.00 WAT1 ATOM 3823 H2 TIP3 472 -7.424 -11.454 14.289 0.00 0.00 WAT1 ATOM 3824 OH2 TIP3 473 -5.795 -10.520 9.853 0.00 0.00 WAT1 ATOM 3825 H1 TIP3 473 -6.498 -9.906 9.643 0.00 0.00 WAT1 ATOM 3826 H2 TIP3 473 -6.240 -11.358 9.984 0.00 0.00 WAT1 ATOM 3827 OH2 TIP3 474 -6.932 -11.306 23.933 0.00 0.00 WAT1 ATOM 3828 H1 TIP3 474 -6.856 -11.732 24.787 0.00 0.00 WAT1 ATOM 3829 H2 TIP3 474 -6.039 -11.292 23.591 0.00 0.00 WAT1 ATOM 3830 OH2 TIP3 475 -3.510 -10.981 27.414 0.00 0.00 WAT1 ATOM 3831 H1 TIP3 475 -4.409 -10.842 27.709 0.00 0.00 WAT1 ATOM 3832 H2 TIP3 475 -3.258 -10.150 27.012 0.00 0.00 WAT1 ATOM 3833 OH2 TIP3 476 -3.366 -5.046 25.592 0.00 0.00 WAT1 ATOM 3834 H1 TIP3 476 -3.269 -4.379 24.912 0.00 0.00 WAT1 ATOM 3835 H2 TIP3 476 -3.506 -5.862 25.110 0.00 0.00 WAT1 ATOM 3836 OH2 TIP3 477 -4.118 -7.638 24.709 0.00 0.00 WAT1 ATOM 3837 H1 TIP3 477 -3.508 -8.010 25.346 0.00 0.00 WAT1 ATOM 3838 H2 TIP3 477 -4.955 -8.060 24.905 0.00 0.00 WAT1 ATOM 3839 OH2 TIP3 478 -2.006 -8.753 26.252 0.00 0.00 WAT1 ATOM 3840 H1 TIP3 478 -1.593 -9.474 25.776 0.00 0.00 WAT1 ATOM 3841 H2 TIP3 478 -1.324 -8.083 26.310 0.00 0.00 WAT1 ATOM 3842 OH2 TIP3 479 2.875 -54.595 -21.509 0.00 0.00 WAT1 ATOM 3843 H1 TIP3 479 2.505 -55.397 -21.878 0.00 0.00 WAT1 ATOM 3844 H2 TIP3 479 3.816 -54.764 -21.462 0.00 0.00 WAT1 ATOM 3845 OH2 TIP3 480 10.400 -50.616 -23.123 0.00 0.00 WAT1 ATOM 3846 H1 TIP3 480 11.020 -51.293 -23.396 0.00 0.00 WAT1 ATOM 3847 H2 TIP3 480 10.192 -50.834 -22.215 0.00 0.00 WAT1 ATOM 3848 OH2 TIP3 481 5.789 -54.403 -22.088 0.00 0.00 WAT1 ATOM 3849 H1 TIP3 481 5.694 -54.981 -22.845 0.00 0.00 WAT1 ATOM 3850 H2 TIP3 481 6.518 -54.774 -21.592 0.00 0.00 WAT1 ATOM 3851 OH2 TIP3 482 5.669 -54.663 -16.419 0.00 0.00 WAT1 ATOM 3852 H1 TIP3 482 5.357 -53.881 -15.963 0.00 0.00 WAT1 ATOM 3853 H2 TIP3 482 5.019 -54.816 -17.105 0.00 0.00 WAT1 ATOM 3854 OH2 TIP3 483 3.908 -52.591 -15.655 0.00 0.00 WAT1 ATOM 3855 H1 TIP3 483 3.916 -52.727 -16.603 0.00 0.00 WAT1 ATOM 3856 H2 TIP3 483 2.992 -52.709 -15.403 0.00 0.00 WAT1 ATOM 3857 OH2 TIP3 484 17.453 -52.952 -15.799 0.00 0.00 WAT1 ATOM 3858 H1 TIP3 484 17.404 -53.907 -15.836 0.00 0.00 WAT1 ATOM 3859 H2 TIP3 484 16.627 -52.684 -15.397 0.00 0.00 WAT1 ATOM 3860 OH2 TIP3 485 8.432 -53.378 -16.923 0.00 0.00 WAT1 ATOM 3861 H1 TIP3 485 8.519 -52.552 -16.448 0.00 0.00 WAT1 ATOM 3862 H2 TIP3 485 7.568 -53.708 -16.674 0.00 0.00 WAT1 ATOM 3863 OH2 TIP3 486 8.846 -49.606 -27.117 0.00 0.00 WAT1 ATOM 3864 H1 TIP3 486 8.771 -49.727 -28.063 0.00 0.00 WAT1 ATOM 3865 H2 TIP3 486 8.879 -48.656 -26.998 0.00 0.00 WAT1 ATOM 3866 OH2 TIP3 487 2.500 -50.817 -25.336 0.00 0.00 WAT1 ATOM 3867 H1 TIP3 487 2.652 -51.165 -24.457 0.00 0.00 WAT1 ATOM 3868 H2 TIP3 487 1.649 -51.173 -25.591 0.00 0.00 WAT1 ATOM 3869 OH2 TIP3 488 14.735 -49.084 -14.692 0.00 0.00 WAT1 ATOM 3870 H1 TIP3 488 14.935 -48.660 -15.527 0.00 0.00 WAT1 ATOM 3871 H2 TIP3 488 15.391 -48.741 -14.085 0.00 0.00 WAT1 ATOM 3872 OH2 TIP3 489 9.053 -56.418 -17.010 0.00 0.00 WAT1 ATOM 3873 H1 TIP3 489 8.707 -56.799 -16.204 0.00 0.00 WAT1 ATOM 3874 H2 TIP3 489 8.853 -55.484 -16.939 0.00 0.00 WAT1 ATOM 3875 OH2 TIP3 490 11.303 -53.956 -17.060 0.00 0.00 WAT1 ATOM 3876 H1 TIP3 490 10.402 -53.773 -17.328 0.00 0.00 WAT1 ATOM 3877 H2 TIP3 490 11.337 -53.697 -16.139 0.00 0.00 WAT1 ATOM 3878 OH2 TIP3 491 5.033 -53.789 -25.073 0.00 0.00 WAT1 ATOM 3879 H1 TIP3 491 5.560 -53.016 -25.274 0.00 0.00 WAT1 ATOM 3880 H2 TIP3 491 4.153 -53.564 -25.375 0.00 0.00 WAT1 ATOM 3881 OH2 TIP3 492 6.975 -51.977 -19.182 0.00 0.00 WAT1 ATOM 3882 H1 TIP3 492 7.338 -51.122 -19.415 0.00 0.00 WAT1 ATOM 3883 H2 TIP3 492 7.507 -52.269 -18.441 0.00 0.00 WAT1 ATOM 3884 OH2 TIP3 493 5.144 -51.104 -25.952 0.00 0.00 WAT1 ATOM 3885 H1 TIP3 493 4.194 -50.999 -25.900 0.00 0.00 WAT1 ATOM 3886 H2 TIP3 493 5.495 -50.284 -25.607 0.00 0.00 WAT1 ATOM 3887 OH2 TIP3 494 13.178 -51.326 -17.012 0.00 0.00 WAT1 ATOM 3888 H1 TIP3 494 12.576 -51.881 -17.507 0.00 0.00 WAT1 ATOM 3889 H2 TIP3 494 13.459 -50.659 -17.638 0.00 0.00 WAT1 ATOM 3890 OH2 TIP3 495 0.951 -52.288 -19.170 0.00 0.00 WAT1 ATOM 3891 H1 TIP3 495 1.168 -53.220 -19.201 0.00 0.00 WAT1 ATOM 3892 H2 TIP3 495 1.198 -52.014 -18.286 0.00 0.00 WAT1 ATOM 3893 OH2 TIP3 496 0.162 -50.401 -14.817 0.00 0.00 WAT1 ATOM 3894 H1 TIP3 496 0.702 -50.618 -14.058 0.00 0.00 WAT1 ATOM 3895 H2 TIP3 496 -0.319 -51.207 -15.007 0.00 0.00 WAT1 ATOM 3896 OH2 TIP3 497 6.724 -56.621 -14.430 0.00 0.00 WAT1 ATOM 3897 H1 TIP3 497 6.396 -56.350 -15.288 0.00 0.00 WAT1 ATOM 3898 H2 TIP3 497 6.876 -57.562 -14.518 0.00 0.00 WAT1 ATOM 3899 OH2 TIP3 498 12.459 -56.705 -17.047 0.00 0.00 WAT1 ATOM 3900 H1 TIP3 498 13.204 -56.117 -17.167 0.00 0.00 WAT1 ATOM 3901 H2 TIP3 498 11.702 -56.123 -16.984 0.00 0.00 WAT1 ATOM 3902 OH2 TIP3 499 9.868 -57.911 -13.791 0.00 0.00 WAT1 ATOM 3903 H1 TIP3 499 10.821 -57.827 -13.819 0.00 0.00 WAT1 ATOM 3904 H2 TIP3 499 9.708 -58.622 -13.172 0.00 0.00 WAT1 ATOM 3905 OH2 TIP3 500 -1.255 -49.312 -25.601 0.00 0.00 WAT1 ATOM 3906 H1 TIP3 500 -1.902 -49.774 -26.134 0.00 0.00 WAT1 ATOM 3907 H2 TIP3 500 -0.900 -49.984 -25.018 0.00 0.00 WAT1 ATOM 3908 OH2 TIP3 501 -0.385 -51.231 -23.796 0.00 0.00 WAT1 ATOM 3909 H1 TIP3 501 -0.719 -52.112 -23.624 0.00 0.00 WAT1 ATOM 3910 H2 TIP3 501 -0.163 -50.886 -22.932 0.00 0.00 WAT1 ATOM 3911 OH2 TIP3 502 16.727 -50.855 -17.894 0.00 0.00 WAT1 ATOM 3912 H1 TIP3 502 16.240 -51.590 -18.265 0.00 0.00 WAT1 ATOM 3913 H2 TIP3 502 17.276 -51.248 -17.216 0.00 0.00 WAT1 ATOM 3914 OH2 TIP3 503 15.178 -55.065 -13.256 0.00 0.00 WAT1 ATOM 3915 H1 TIP3 503 14.312 -55.170 -12.862 0.00 0.00 WAT1 ATOM 3916 H2 TIP3 503 15.554 -54.306 -12.809 0.00 0.00 WAT1 ATOM 3917 OH2 TIP3 504 1.287 -53.403 -14.701 0.00 0.00 WAT1 ATOM 3918 H1 TIP3 504 0.466 -53.228 -15.161 0.00 0.00 WAT1 ATOM 3919 H2 TIP3 504 1.035 -53.476 -13.780 0.00 0.00 WAT1 ATOM 3920 OH2 TIP3 505 4.241 -52.428 -18.442 0.00 0.00 WAT1 ATOM 3921 H1 TIP3 505 3.816 -51.619 -18.725 0.00 0.00 WAT1 ATOM 3922 H2 TIP3 505 5.146 -52.343 -18.744 0.00 0.00 WAT1 ATOM 3923 OH2 TIP3 506 10.897 -49.744 -16.239 0.00 0.00 WAT1 ATOM 3924 H1 TIP3 506 11.574 -50.376 -16.479 0.00 0.00 WAT1 ATOM 3925 H2 TIP3 506 11.219 -49.342 -15.431 0.00 0.00 WAT1 ATOM 3926 OH2 TIP3 507 8.821 -49.684 -20.189 0.00 0.00 WAT1 ATOM 3927 H1 TIP3 507 8.364 -49.155 -20.843 0.00 0.00 WAT1 ATOM 3928 H2 TIP3 507 8.984 -49.081 -19.464 0.00 0.00 WAT1 ATOM 3929 OH2 TIP3 508 11.148 -50.806 -19.244 0.00 0.00 WAT1 ATOM 3930 H1 TIP3 508 10.244 -50.641 -19.510 0.00 0.00 WAT1 ATOM 3931 H2 TIP3 508 11.577 -49.953 -19.310 0.00 0.00 WAT1 ATOM 3932 OH2 TIP3 509 13.753 -49.236 -18.949 0.00 0.00 WAT1 ATOM 3933 H1 TIP3 509 13.571 -48.320 -19.160 0.00 0.00 WAT1 ATOM 3934 H2 TIP3 509 13.929 -49.646 -19.796 0.00 0.00 WAT1 ATOM 3935 OH2 TIP3 510 1.058 -50.549 -21.484 0.00 0.00 WAT1 ATOM 3936 H1 TIP3 510 1.039 -50.974 -20.627 0.00 0.00 WAT1 ATOM 3937 H2 TIP3 510 1.863 -50.867 -21.893 0.00 0.00 WAT1 ATOM 3938 OH2 TIP3 511 3.199 -51.839 -22.829 0.00 0.00 WAT1 ATOM 3939 H1 TIP3 511 2.980 -52.755 -22.660 0.00 0.00 WAT1 ATOM 3940 H2 TIP3 511 4.023 -51.699 -22.363 0.00 0.00 WAT1 ATOM 3941 OH2 TIP3 512 5.736 -51.369 -21.981 0.00 0.00 WAT1 ATOM 3942 H1 TIP3 512 5.949 -52.257 -22.268 0.00 0.00 WAT1 ATOM 3943 H2 TIP3 512 5.801 -51.403 -21.026 0.00 0.00 WAT1 ATOM 3944 OH2 TIP3 513 15.100 -51.801 -15.086 0.00 0.00 WAT1 ATOM 3945 H1 TIP3 513 14.318 -51.987 -15.606 0.00 0.00 WAT1 ATOM 3946 H2 TIP3 513 15.028 -50.872 -14.869 0.00 0.00 WAT1 ATOM 3947 OH2 TIP3 514 10.650 -57.915 -6.200 0.00 0.00 WAT1 ATOM 3948 H1 TIP3 514 10.739 -56.971 -6.332 0.00 0.00 WAT1 ATOM 3949 H2 TIP3 514 10.011 -58.190 -6.858 0.00 0.00 WAT1 ATOM 3950 OH2 TIP3 515 9.583 -58.660 -2.781 0.00 0.00 WAT1 ATOM 3951 H1 TIP3 515 9.545 -59.306 -2.076 0.00 0.00 WAT1 ATOM 3952 H2 TIP3 515 9.260 -59.126 -3.552 0.00 0.00 WAT1 ATOM 3953 OH2 TIP3 516 1.951 -59.045 -1.188 0.00 0.00 WAT1 ATOM 3954 H1 TIP3 516 1.993 -59.671 -0.464 0.00 0.00 WAT1 ATOM 3955 H2 TIP3 516 2.654 -58.422 -1.006 0.00 0.00 WAT1 ATOM 3956 OH2 TIP3 517 0.195 -58.773 -5.134 0.00 0.00 WAT1 ATOM 3957 H1 TIP3 517 0.409 -59.543 -4.607 0.00 0.00 WAT1 ATOM 3958 H2 TIP3 517 0.933 -58.684 -5.737 0.00 0.00 WAT1 ATOM 3959 OH2 TIP3 518 11.113 -61.833 -2.047 0.00 0.00 WAT1 ATOM 3960 H1 TIP3 518 11.256 -62.780 -2.027 0.00 0.00 WAT1 ATOM 3961 H2 TIP3 518 11.007 -61.626 -2.976 0.00 0.00 WAT1 ATOM 3962 OH2 TIP3 519 0.888 -61.335 -4.013 0.00 0.00 WAT1 ATOM 3963 H1 TIP3 519 1.542 -61.885 -3.581 0.00 0.00 WAT1 ATOM 3964 H2 TIP3 519 0.912 -61.609 -4.929 0.00 0.00 WAT1 ATOM 3965 OH2 TIP3 520 6.044 -59.785 -4.797 0.00 0.00 WAT1 ATOM 3966 H1 TIP3 520 6.660 -60.311 -4.288 0.00 0.00 WAT1 ATOM 3967 H2 TIP3 520 5.458 -60.425 -5.201 0.00 0.00 WAT1 ATOM 3968 OH2 TIP3 521 17.027 -63.148 0.722 0.00 0.00 WAT1 ATOM 3969 H1 TIP3 521 16.338 -62.490 0.627 0.00 0.00 WAT1 ATOM 3970 H2 TIP3 521 17.042 -63.345 1.659 0.00 0.00 WAT1 ATOM 3971 OH2 TIP3 522 10.447 -55.314 -7.157 0.00 0.00 WAT1 ATOM 3972 H1 TIP3 522 10.151 -55.636 -8.008 0.00 0.00 WAT1 ATOM 3973 H2 TIP3 522 10.123 -54.414 -7.115 0.00 0.00 WAT1 ATOM 3974 OH2 TIP3 523 2.672 -62.922 -2.748 0.00 0.00 WAT1 ATOM 3975 H1 TIP3 523 3.285 -62.289 -2.375 0.00 0.00 WAT1 ATOM 3976 H2 TIP3 523 3.184 -63.394 -3.405 0.00 0.00 WAT1 ATOM 3977 OH2 TIP3 524 0.176 -55.503 -8.844 0.00 0.00 WAT1 ATOM 3978 H1 TIP3 524 -0.096 -55.274 -9.733 0.00 0.00 WAT1 ATOM 3979 H2 TIP3 524 0.221 -54.665 -8.384 0.00 0.00 WAT1 ATOM 3980 OH2 TIP3 525 9.371 -58.671 -8.748 0.00 0.00 WAT1 ATOM 3981 H1 TIP3 525 8.659 -58.136 -9.099 0.00 0.00 WAT1 ATOM 3982 H2 TIP3 525 10.062 -58.615 -9.408 0.00 0.00 WAT1 ATOM 3983 OH2 TIP3 526 12.777 -58.461 -7.796 0.00 0.00 WAT1 ATOM 3984 H1 TIP3 526 12.045 -58.233 -7.223 0.00 0.00 WAT1 ATOM 3985 H2 TIP3 526 13.224 -59.175 -7.341 0.00 0.00 WAT1 ATOM 3986 OH2 TIP3 527 4.422 -57.831 -5.913 0.00 0.00 WAT1 ATOM 3987 H1 TIP3 527 4.092 -58.201 -6.732 0.00 0.00 WAT1 ATOM 3988 H2 TIP3 527 5.010 -58.501 -5.567 0.00 0.00 WAT1 ATOM 3989 OH2 TIP3 528 2.589 -58.465 1.666 0.00 0.00 WAT1 ATOM 3990 H1 TIP3 528 2.659 -57.814 2.364 0.00 0.00 WAT1 ATOM 3991 H2 TIP3 528 1.698 -58.362 1.331 0.00 0.00 WAT1 ATOM 3992 OH2 TIP3 529 16.536 -53.183 -11.921 0.00 0.00 WAT1 ATOM 3993 H1 TIP3 529 16.609 -52.244 -11.751 0.00 0.00 WAT1 ATOM 3994 H2 TIP3 529 17.441 -53.488 -11.978 0.00 0.00 WAT1 ATOM 3995 OH2 TIP3 530 14.605 -61.459 3.537 0.00 0.00 WAT1 ATOM 3996 H1 TIP3 530 14.198 -60.978 2.817 0.00 0.00 WAT1 ATOM 3997 H2 TIP3 530 14.646 -62.364 3.230 0.00 0.00 WAT1 ATOM 3998 OH2 TIP3 531 12.362 -63.127 1.758 0.00 0.00 WAT1 ATOM 3999 H1 TIP3 531 11.848 -63.253 2.555 0.00 0.00 WAT1 ATOM 4000 H2 TIP3 531 12.207 -62.215 1.513 0.00 0.00 WAT1 ATOM 4001 OH2 TIP3 532 13.125 -58.266 -12.481 0.00 0.00 WAT1 ATOM 4002 H1 TIP3 532 13.167 -58.489 -13.411 0.00 0.00 WAT1 ATOM 4003 H2 TIP3 532 13.974 -57.868 -12.291 0.00 0.00 WAT1 ATOM 4004 OH2 TIP3 533 4.464 -61.639 -1.375 0.00 0.00 WAT1 ATOM 4005 H1 TIP3 533 3.822 -61.680 -0.666 0.00 0.00 WAT1 ATOM 4006 H2 TIP3 533 4.501 -60.713 -1.613 0.00 0.00 WAT1 ATOM 4007 OH2 TIP3 534 9.099 -60.827 3.842 0.00 0.00 WAT1 ATOM 4008 H1 TIP3 534 8.536 -61.531 4.162 0.00 0.00 WAT1 ATOM 4009 H2 TIP3 534 9.925 -60.947 4.309 0.00 0.00 WAT1 ATOM 4010 OH2 TIP3 535 11.001 -61.556 -4.832 0.00 0.00 WAT1 ATOM 4011 H1 TIP3 535 10.806 -60.951 -5.547 0.00 0.00 WAT1 ATOM 4012 H2 TIP3 535 11.183 -62.390 -5.267 0.00 0.00 WAT1 ATOM 4013 OH2 TIP3 536 2.214 -61.319 0.492 0.00 0.00 WAT1 ATOM 4014 H1 TIP3 536 2.176 -60.919 1.360 0.00 0.00 WAT1 ATOM 4015 H2 TIP3 536 1.723 -62.136 0.582 0.00 0.00 WAT1 ATOM 4016 OH2 TIP3 537 10.265 -59.918 -0.161 0.00 0.00 WAT1 ATOM 4017 H1 TIP3 537 10.589 -60.549 -0.804 0.00 0.00 WAT1 ATOM 4018 H2 TIP3 537 9.825 -60.453 0.500 0.00 0.00 WAT1 ATOM 4019 OH2 TIP3 538 8.363 -61.203 -3.490 0.00 0.00 WAT1 ATOM 4020 H1 TIP3 538 8.927 -61.750 -4.037 0.00 0.00 WAT1 ATOM 4021 H2 TIP3 538 8.215 -61.725 -2.701 0.00 0.00 WAT1 ATOM 4022 OH2 TIP3 539 6.989 -62.815 -1.076 0.00 0.00 WAT1 ATOM 4023 H1 TIP3 539 6.154 -62.361 -0.966 0.00 0.00 WAT1 ATOM 4024 H2 TIP3 539 7.513 -62.539 -0.324 0.00 0.00 WAT1 ATOM 4025 OH2 TIP3 540 7.533 -56.602 -9.391 0.00 0.00 WAT1 ATOM 4026 H1 TIP3 540 6.789 -57.109 -9.714 0.00 0.00 WAT1 ATOM 4027 H2 TIP3 540 7.399 -56.553 -8.445 0.00 0.00 WAT1 ATOM 4028 OH2 TIP3 541 9.659 -55.143 -10.366 0.00 0.00 WAT1 ATOM 4029 H1 TIP3 541 9.364 -54.317 -9.984 0.00 0.00 WAT1 ATOM 4030 H2 TIP3 541 8.956 -55.763 -10.170 0.00 0.00 WAT1 ATOM 4031 OH2 TIP3 542 -0.334 -58.846 1.693 0.00 0.00 WAT1 ATOM 4032 H1 TIP3 542 -0.111 -59.264 2.525 0.00 0.00 WAT1 ATOM 4033 H2 TIP3 542 -0.936 -59.459 1.271 0.00 0.00 WAT1 ATOM 4034 OH2 TIP3 543 6.683 -59.329 3.906 0.00 0.00 WAT1 ATOM 4035 H1 TIP3 543 6.387 -59.495 3.011 0.00 0.00 WAT1 ATOM 4036 H2 TIP3 543 7.614 -59.549 3.896 0.00 0.00 WAT1 ATOM 4037 OH2 TIP3 544 15.330 -52.925 -9.372 0.00 0.00 WAT1 ATOM 4038 H1 TIP3 544 14.957 -53.751 -9.062 0.00 0.00 WAT1 ATOM 4039 H2 TIP3 544 15.607 -53.108 -10.269 0.00 0.00 WAT1 ATOM 4040 OH2 TIP3 545 5.033 -53.789 -6.217 0.00 0.00 WAT1 ATOM 4041 H1 TIP3 545 5.560 -53.016 -6.418 0.00 0.00 WAT1 ATOM 4042 H2 TIP3 545 4.153 -53.564 -6.519 0.00 0.00 WAT1 ATOM 4043 OH2 TIP3 546 6.460 -56.126 -6.641 0.00 0.00 WAT1 ATOM 4044 H1 TIP3 546 6.219 -55.201 -6.599 0.00 0.00 WAT1 ATOM 4045 H2 TIP3 546 5.720 -56.585 -6.245 0.00 0.00 WAT1 ATOM 4046 OH2 TIP3 547 12.722 -54.949 -11.551 0.00 0.00 WAT1 ATOM 4047 H1 TIP3 547 13.075 -55.329 -10.747 0.00 0.00 WAT1 ATOM 4048 H2 TIP3 547 11.773 -55.042 -11.465 0.00 0.00 WAT1 ATOM 4049 OH2 TIP3 548 13.588 -56.276 -9.325 0.00 0.00 WAT1 ATOM 4050 H1 TIP3 548 13.311 -57.004 -8.769 0.00 0.00 WAT1 ATOM 4051 H2 TIP3 548 14.515 -56.157 -9.119 0.00 0.00 WAT1 ATOM 4052 OH2 TIP3 549 6.813 -53.837 -13.104 0.00 0.00 WAT1 ATOM 4053 H1 TIP3 549 7.052 -54.585 -13.652 0.00 0.00 WAT1 ATOM 4054 H2 TIP3 549 6.544 -54.225 -12.272 0.00 0.00 WAT1 ATOM 4055 OH2 TIP3 550 5.750 -54.267 -10.648 0.00 0.00 WAT1 ATOM 4056 H1 TIP3 550 5.897 -54.787 -9.858 0.00 0.00 WAT1 ATOM 4057 H2 TIP3 550 5.747 -53.360 -10.342 0.00 0.00 WAT1 ATOM 4058 OH2 TIP3 551 2.203 -57.014 -10.138 0.00 0.00 WAT1 ATOM 4059 H1 TIP3 551 1.517 -56.662 -9.571 0.00 0.00 WAT1 ATOM 4060 H2 TIP3 551 2.726 -56.251 -10.384 0.00 0.00 WAT1 ATOM 4061 OH2 TIP3 552 10.035 -64.352 0.141 0.00 0.00 WAT1 ATOM 4062 H1 TIP3 552 10.733 -64.278 0.791 0.00 0.00 WAT1 ATOM 4063 H2 TIP3 552 9.654 -65.216 0.296 0.00 0.00 WAT1 ATOM 4064 OH2 TIP3 553 8.555 -61.986 1.258 0.00 0.00 WAT1 ATOM 4065 H1 TIP3 553 8.674 -61.412 2.015 0.00 0.00 WAT1 ATOM 4066 H2 TIP3 553 9.210 -62.674 1.373 0.00 0.00 WAT1 ATOM 4067 OH2 TIP3 554 14.759 -64.079 2.093 0.00 0.00 WAT1 ATOM 4068 H1 TIP3 554 13.843 -63.816 2.005 0.00 0.00 WAT1 ATOM 4069 H2 TIP3 554 15.095 -64.082 1.196 0.00 0.00 WAT1 ATOM 4070 OH2 TIP3 555 13.361 -60.328 -3.811 0.00 0.00 WAT1 ATOM 4071 H1 TIP3 555 12.564 -60.743 -4.140 0.00 0.00 WAT1 ATOM 4072 H2 TIP3 555 13.806 -61.019 -3.320 0.00 0.00 WAT1 ATOM 4073 OH2 TIP3 556 2.819 -54.400 -11.241 0.00 0.00 WAT1 ATOM 4074 H1 TIP3 556 3.411 -53.701 -10.965 0.00 0.00 WAT1 ATOM 4075 H2 TIP3 556 3.278 -54.833 -11.960 0.00 0.00 WAT1 ATOM 4076 OH2 TIP3 557 0.873 -53.014 -7.291 0.00 0.00 WAT1 ATOM 4077 H1 TIP3 557 0.041 -52.541 -7.264 0.00 0.00 WAT1 ATOM 4078 H2 TIP3 557 1.419 -52.504 -7.890 0.00 0.00 WAT1 ATOM 4079 OH2 TIP3 558 4.410 -56.247 -12.875 0.00 0.00 WAT1 ATOM 4080 H1 TIP3 558 4.474 -57.041 -12.344 0.00 0.00 WAT1 ATOM 4081 H2 TIP3 558 5.063 -56.366 -13.564 0.00 0.00 WAT1 ATOM 4082 OH2 TIP3 559 9.762 -55.200 -13.139 0.00 0.00 WAT1 ATOM 4083 H1 TIP3 559 9.494 -55.020 -12.238 0.00 0.00 WAT1 ATOM 4084 H2 TIP3 559 9.556 -56.126 -13.270 0.00 0.00 WAT1 ATOM 4085 OH2 TIP3 560 0.901 -59.391 4.413 0.00 0.00 WAT1 ATOM 4086 H1 TIP3 560 1.309 -60.248 4.292 0.00 0.00 WAT1 ATOM 4087 H2 TIP3 560 0.641 -59.376 5.334 0.00 0.00 WAT1 ATOM 4088 OH2 TIP3 561 4.848 -60.382 1.787 0.00 0.00 WAT1 ATOM 4089 H1 TIP3 561 4.230 -59.707 2.068 0.00 0.00 WAT1 ATOM 4090 H2 TIP3 561 5.192 -60.061 0.954 0.00 0.00 WAT1 ATOM 4091 OH2 TIP3 562 5.188 -63.027 2.870 0.00 0.00 WAT1 ATOM 4092 H1 TIP3 562 5.338 -63.756 2.267 0.00 0.00 WAT1 ATOM 4093 H2 TIP3 562 5.190 -62.250 2.311 0.00 0.00 WAT1 ATOM 4094 OH2 TIP3 563 7.182 -59.218 0.602 0.00 0.00 WAT1 ATOM 4095 H1 TIP3 563 7.933 -59.374 0.029 0.00 0.00 WAT1 ATOM 4096 H2 TIP3 563 6.843 -58.366 0.326 0.00 0.00 WAT1 ATOM 4097 OH2 TIP3 564 11.598 -61.403 5.630 0.00 0.00 WAT1 ATOM 4098 H1 TIP3 564 11.790 -62.334 5.519 0.00 0.00 WAT1 ATOM 4099 H2 TIP3 564 12.455 -60.978 5.620 0.00 0.00 WAT1 ATOM 4100 OH2 TIP3 565 3.666 -61.829 4.781 0.00 0.00 WAT1 ATOM 4101 H1 TIP3 565 2.899 -62.361 4.571 0.00 0.00 WAT1 ATOM 4102 H2 TIP3 565 4.345 -62.139 4.182 0.00 0.00 WAT1 ATOM 4103 OH2 TIP3 566 7.670 -62.879 4.357 0.00 0.00 WAT1 ATOM 4104 H1 TIP3 566 7.434 -63.099 5.259 0.00 0.00 WAT1 ATOM 4105 H2 TIP3 566 6.887 -63.086 3.848 0.00 0.00 WAT1 ATOM 4106 OH2 TIP3 567 10.386 -63.752 3.433 0.00 0.00 WAT1 ATOM 4107 H1 TIP3 567 9.438 -63.720 3.565 0.00 0.00 WAT1 ATOM 4108 H2 TIP3 567 10.698 -64.377 4.087 0.00 0.00 WAT1 ATOM 4109 OH2 TIP3 568 0.096 -54.705 -11.822 0.00 0.00 WAT1 ATOM 4110 H1 TIP3 568 1.010 -54.626 -11.549 0.00 0.00 WAT1 ATOM 4111 H2 TIP3 568 0.103 -55.392 -12.489 0.00 0.00 WAT1 ATOM 4112 OH2 TIP3 569 -0.385 -51.231 -4.940 0.00 0.00 WAT1 ATOM 4113 H1 TIP3 569 -0.719 -52.112 -4.768 0.00 0.00 WAT1 ATOM 4114 H2 TIP3 569 -0.163 -50.886 -4.076 0.00 0.00 WAT1 ATOM 4115 OH2 TIP3 570 16.479 -56.808 -8.886 0.00 0.00 WAT1 ATOM 4116 H1 TIP3 570 17.329 -56.387 -8.758 0.00 0.00 WAT1 ATOM 4117 H2 TIP3 570 16.484 -57.548 -8.278 0.00 0.00 WAT1 ATOM 4118 OH2 TIP3 571 16.873 -58.755 -7.062 0.00 0.00 WAT1 ATOM 4119 H1 TIP3 571 16.147 -59.234 -6.664 0.00 0.00 WAT1 ATOM 4120 H2 TIP3 571 17.454 -58.549 -6.330 0.00 0.00 WAT1 ATOM 4121 OH2 TIP3 572 14.660 -60.234 -6.499 0.00 0.00 WAT1 ATOM 4122 H1 TIP3 572 14.510 -61.179 -6.519 0.00 0.00 WAT1 ATOM 4123 H2 TIP3 572 14.306 -59.953 -5.655 0.00 0.00 WAT1 ATOM 4124 OH2 TIP3 573 -0.305 -58.156 -2.489 0.00 0.00 WAT1 ATOM 4125 H1 TIP3 573 -0.121 -58.238 -3.424 0.00 0.00 WAT1 ATOM 4126 H2 TIP3 573 0.544 -58.280 -2.065 0.00 0.00 WAT1 ATOM 4127 OH2 TIP3 574 17.013 -60.361 3.824 0.00 0.00 WAT1 ATOM 4128 H1 TIP3 574 16.150 -60.740 3.659 0.00 0.00 WAT1 ATOM 4129 H2 TIP3 574 17.617 -61.100 3.750 0.00 0.00 WAT1 ATOM 4130 OH2 TIP3 575 14.982 -62.070 -2.601 0.00 0.00 WAT1 ATOM 4131 H1 TIP3 575 15.915 -61.858 -2.635 0.00 0.00 WAT1 ATOM 4132 H2 TIP3 575 14.747 -61.968 -1.678 0.00 0.00 WAT1 ATOM 4133 OH2 TIP3 576 15.011 -61.333 0.175 0.00 0.00 WAT1 ATOM 4134 H1 TIP3 576 14.168 -61.065 0.541 0.00 0.00 WAT1 ATOM 4135 H2 TIP3 576 15.454 -60.511 -0.036 0.00 0.00 WAT1 ATOM 4136 OH2 TIP3 577 -0.707 -62.885 3.652 0.00 0.00 WAT1 ATOM 4137 H1 TIP3 577 0.212 -63.007 3.888 0.00 0.00 WAT1 ATOM 4138 H2 TIP3 577 -1.157 -63.635 4.041 0.00 0.00 WAT1 ATOM 4139 OH2 TIP3 578 10.650 -57.915 12.656 0.00 0.00 WAT1 ATOM 4140 H1 TIP3 578 10.739 -56.971 12.524 0.00 0.00 WAT1 ATOM 4141 H2 TIP3 578 10.011 -58.190 11.998 0.00 0.00 WAT1 ATOM 4142 OH2 TIP3 579 9.583 -58.660 16.075 0.00 0.00 WAT1 ATOM 4143 H1 TIP3 579 9.545 -59.306 16.780 0.00 0.00 WAT1 ATOM 4144 H2 TIP3 579 9.260 -59.126 15.304 0.00 0.00 WAT1 ATOM 4145 OH2 TIP3 580 1.951 -59.045 17.668 0.00 0.00 WAT1 ATOM 4146 H1 TIP3 580 1.993 -59.671 18.392 0.00 0.00 WAT1 ATOM 4147 H2 TIP3 580 2.654 -58.422 17.850 0.00 0.00 WAT1 ATOM 4148 OH2 TIP3 581 13.289 -55.721 14.377 0.00 0.00 WAT1 ATOM 4149 H1 TIP3 581 12.848 -56.441 14.827 0.00 0.00 WAT1 ATOM 4150 H2 TIP3 581 13.276 -55.000 15.007 0.00 0.00 WAT1 ATOM 4151 OH2 TIP3 582 0.195 -58.773 13.722 0.00 0.00 WAT1 ATOM 4152 H1 TIP3 582 0.409 -59.543 14.249 0.00 0.00 WAT1 ATOM 4153 H2 TIP3 582 0.933 -58.684 13.119 0.00 0.00 WAT1 ATOM 4154 OH2 TIP3 583 10.400 -50.616 14.589 0.00 0.00 WAT1 ATOM 4155 H1 TIP3 583 11.020 -51.293 14.316 0.00 0.00 WAT1 ATOM 4156 H2 TIP3 583 10.192 -50.834 15.497 0.00 0.00 WAT1 ATOM 4157 OH2 TIP3 584 7.972 -56.227 16.481 0.00 0.00 WAT1 ATOM 4158 H1 TIP3 584 8.276 -56.913 15.887 0.00 0.00 WAT1 ATOM 4159 H2 TIP3 584 8.694 -56.109 17.099 0.00 0.00 WAT1 ATOM 4160 OH2 TIP3 585 6.044 -59.785 14.059 0.00 0.00 WAT1 ATOM 4161 H1 TIP3 585 6.660 -60.311 14.568 0.00 0.00 WAT1 ATOM 4162 H2 TIP3 585 5.458 -60.425 13.655 0.00 0.00 WAT1 ATOM 4163 OH2 TIP3 586 10.447 -55.314 11.699 0.00 0.00 WAT1 ATOM 4164 H1 TIP3 586 10.151 -55.636 10.848 0.00 0.00 WAT1 ATOM 4165 H2 TIP3 586 10.123 -54.414 11.741 0.00 0.00 WAT1 ATOM 4166 OH2 TIP3 587 5.647 -57.138 18.443 0.00 0.00 WAT1 ATOM 4167 H1 TIP3 587 4.907 -56.540 18.546 0.00 0.00 WAT1 ATOM 4168 H2 TIP3 587 6.361 -56.584 18.127 0.00 0.00 WAT1 ATOM 4169 OH2 TIP3 588 4.055 -55.174 19.230 0.00 0.00 WAT1 ATOM 4170 H1 TIP3 588 4.049 -54.295 18.852 0.00 0.00 WAT1 ATOM 4171 H2 TIP3 588 3.201 -55.257 19.655 0.00 0.00 WAT1 ATOM 4172 OH2 TIP3 589 0.176 -55.503 10.012 0.00 0.00 WAT1 ATOM 4173 H1 TIP3 589 -0.096 -55.274 9.123 0.00 0.00 WAT1 ATOM 4174 H2 TIP3 589 0.221 -54.665 10.472 0.00 0.00 WAT1 ATOM 4175 OH2 TIP3 590 13.801 -53.881 16.725 0.00 0.00 WAT1 ATOM 4176 H1 TIP3 590 12.859 -53.823 16.886 0.00 0.00 WAT1 ATOM 4177 H2 TIP3 590 14.077 -52.975 16.588 0.00 0.00 WAT1 ATOM 4178 OH2 TIP3 591 12.053 -52.100 13.350 0.00 0.00 WAT1 ATOM 4179 H1 TIP3 591 12.478 -52.807 12.865 0.00 0.00 WAT1 ATOM 4180 H2 TIP3 591 12.370 -51.299 12.933 0.00 0.00 WAT1 ATOM 4181 OH2 TIP3 592 13.212 -54.199 11.859 0.00 0.00 WAT1 ATOM 4182 H1 TIP3 592 12.955 -54.889 11.247 0.00 0.00 WAT1 ATOM 4183 H2 TIP3 592 13.283 -54.642 12.704 0.00 0.00 WAT1 ATOM 4184 OH2 TIP3 593 14.898 -55.633 20.336 0.00 0.00 WAT1 ATOM 4185 H1 TIP3 593 15.038 -56.224 19.597 0.00 0.00 WAT1 ATOM 4186 H2 TIP3 593 15.066 -54.760 19.980 0.00 0.00 WAT1 ATOM 4187 OH2 TIP3 594 9.371 -58.671 10.108 0.00 0.00 WAT1 ATOM 4188 H1 TIP3 594 8.659 -58.136 9.757 0.00 0.00 WAT1 ATOM 4189 H2 TIP3 594 10.062 -58.615 9.448 0.00 0.00 WAT1 ATOM 4190 OH2 TIP3 595 9.425 -60.213 7.147 0.00 0.00 WAT1 ATOM 4191 H1 TIP3 595 10.126 -60.191 7.798 0.00 0.00 WAT1 ATOM 4192 H2 TIP3 595 9.727 -60.841 6.491 0.00 0.00 WAT1 ATOM 4193 OH2 TIP3 596 12.777 -58.461 11.060 0.00 0.00 WAT1 ATOM 4194 H1 TIP3 596 12.045 -58.233 11.633 0.00 0.00 WAT1 ATOM 4195 H2 TIP3 596 13.224 -59.175 11.515 0.00 0.00 WAT1 ATOM 4196 OH2 TIP3 597 4.789 -59.062 16.576 0.00 0.00 WAT1 ATOM 4197 H1 TIP3 597 5.354 -58.941 15.813 0.00 0.00 WAT1 ATOM 4198 H2 TIP3 597 5.108 -58.425 17.215 0.00 0.00 WAT1 ATOM 4199 OH2 TIP3 598 11.098 -53.559 17.310 0.00 0.00 WAT1 ATOM 4200 H1 TIP3 598 10.857 -52.897 17.958 0.00 0.00 WAT1 ATOM 4201 H2 TIP3 598 10.900 -54.393 17.735 0.00 0.00 WAT1 ATOM 4202 OH2 TIP3 599 5.669 -54.663 21.293 0.00 0.00 WAT1 ATOM 4203 H1 TIP3 599 5.357 -53.881 21.749 0.00 0.00 WAT1 ATOM 4204 H2 TIP3 599 5.019 -54.816 20.607 0.00 0.00 WAT1 ATOM 4205 OH2 TIP3 600 11.648 -59.299 8.745 0.00 0.00 WAT1 ATOM 4206 H1 TIP3 600 12.227 -59.149 9.492 0.00 0.00 WAT1 ATOM 4207 H2 TIP3 600 12.062 -58.828 8.022 0.00 0.00 WAT1 ATOM 4208 OH2 TIP3 601 9.374 -52.562 12.180 0.00 0.00 WAT1 ATOM 4209 H1 TIP3 601 9.848 -52.267 12.958 0.00 0.00 WAT1 ATOM 4210 H2 TIP3 601 8.811 -51.824 11.947 0.00 0.00 WAT1 ATOM 4211 OH2 TIP3 602 3.908 -52.591 22.057 0.00 0.00 WAT1 ATOM 4212 H1 TIP3 602 3.916 -52.727 21.109 0.00 0.00 WAT1 ATOM 4213 H2 TIP3 602 2.992 -52.709 22.309 0.00 0.00 WAT1 ATOM 4214 OH2 TIP3 603 3.412 -58.761 10.532 0.00 0.00 WAT1 ATOM 4215 H1 TIP3 603 3.120 -57.993 10.041 0.00 0.00 WAT1 ATOM 4216 H2 TIP3 603 2.738 -59.421 10.369 0.00 0.00 WAT1 ATOM 4217 OH2 TIP3 604 -0.495 -56.398 19.347 0.00 0.00 WAT1 ATOM 4218 H1 TIP3 604 -0.996 -56.426 18.532 0.00 0.00 WAT1 ATOM 4219 H2 TIP3 604 -0.489 -57.304 19.657 0.00 0.00 WAT1 ATOM 4220 OH2 TIP3 605 17.453 -52.952 21.913 0.00 0.00 WAT1 ATOM 4221 H1 TIP3 605 17.404 -53.907 21.876 0.00 0.00 WAT1 ATOM 4222 H2 TIP3 605 16.627 -52.684 22.315 0.00 0.00 WAT1 ATOM 4223 OH2 TIP3 606 11.617 -50.526 10.347 0.00 0.00 WAT1 ATOM 4224 H1 TIP3 606 10.682 -50.426 10.526 0.00 0.00 WAT1 ATOM 4225 H2 TIP3 606 11.897 -51.235 10.925 0.00 0.00 WAT1 ATOM 4226 OH2 TIP3 607 1.754 -55.075 20.390 0.00 0.00 WAT1 ATOM 4227 H1 TIP3 607 1.971 -55.436 21.250 0.00 0.00 WAT1 ATOM 4228 H2 TIP3 607 0.899 -55.449 20.180 0.00 0.00 WAT1 ATOM 4229 OH2 TIP3 608 4.461 -61.418 12.393 0.00 0.00 WAT1 ATOM 4230 H1 TIP3 608 3.568 -61.759 12.334 0.00 0.00 WAT1 ATOM 4231 H2 TIP3 608 4.912 -61.795 11.637 0.00 0.00 WAT1 ATOM 4232 OH2 TIP3 609 5.524 -62.362 9.962 0.00 0.00 WAT1 ATOM 4233 H1 TIP3 609 6.456 -62.233 10.140 0.00 0.00 WAT1 ATOM 4234 H2 TIP3 609 5.309 -61.692 9.313 0.00 0.00 WAT1 ATOM 4235 OH2 TIP3 610 4.198 -61.167 7.529 0.00 0.00 WAT1 ATOM 4236 H1 TIP3 610 3.656 -61.547 6.838 0.00 0.00 WAT1 ATOM 4237 H2 TIP3 610 5.032 -60.973 7.100 0.00 0.00 WAT1 ATOM 4238 OH2 TIP3 611 14.735 -49.084 23.020 0.00 0.00 WAT1 ATOM 4239 H1 TIP3 611 14.935 -48.660 22.185 0.00 0.00 WAT1 ATOM 4240 H2 TIP3 611 15.391 -48.741 23.627 0.00 0.00 WAT1 ATOM 4241 OH2 TIP3 612 7.533 -56.602 9.465 0.00 0.00 WAT1 ATOM 4242 H1 TIP3 612 6.789 -57.109 9.142 0.00 0.00 WAT1 ATOM 4243 H2 TIP3 612 7.399 -56.553 10.411 0.00 0.00 WAT1 ATOM 4244 OH2 TIP3 613 11.431 -63.788 7.664 0.00 0.00 WAT1 ATOM 4245 H1 TIP3 613 10.493 -63.676 7.513 0.00 0.00 WAT1 ATOM 4246 H2 TIP3 613 11.728 -62.931 7.970 0.00 0.00 WAT1 ATOM 4247 OH2 TIP3 614 9.053 -56.418 20.702 0.00 0.00 WAT1 ATOM 4248 H1 TIP3 614 8.707 -56.799 21.508 0.00 0.00 WAT1 ATOM 4249 H2 TIP3 614 8.853 -55.484 20.773 0.00 0.00 WAT1 ATOM 4250 OH2 TIP3 615 12.149 -61.921 9.325 0.00 0.00 WAT1 ATOM 4251 H1 TIP3 615 13.041 -62.058 9.644 0.00 0.00 WAT1 ATOM 4252 H2 TIP3 615 12.206 -61.130 8.788 0.00 0.00 WAT1 ATOM 4253 OH2 TIP3 616 2.658 -57.307 15.234 0.00 0.00 WAT1 ATOM 4254 H1 TIP3 616 3.403 -57.309 14.633 0.00 0.00 WAT1 ATOM 4255 H2 TIP3 616 2.736 -58.131 15.716 0.00 0.00 WAT1 ATOM 4256 OH2 TIP3 617 9.659 -55.143 8.490 0.00 0.00 WAT1 ATOM 4257 H1 TIP3 617 9.364 -54.317 8.872 0.00 0.00 WAT1 ATOM 4258 H2 TIP3 617 8.956 -55.763 8.686 0.00 0.00 WAT1 ATOM 4259 OH2 TIP3 618 17.034 -61.711 9.019 0.00 0.00 WAT1 ATOM 4260 H1 TIP3 618 16.480 -62.107 8.347 0.00 0.00 WAT1 ATOM 4261 H2 TIP3 618 17.135 -60.801 8.742 0.00 0.00 WAT1 ATOM 4262 OH2 TIP3 619 0.788 -58.927 7.226 0.00 0.00 WAT1 ATOM 4263 H1 TIP3 619 1.404 -58.300 7.605 0.00 0.00 WAT1 ATOM 4264 H2 TIP3 619 -0.074 -58.611 7.497 0.00 0.00 WAT1 ATOM 4265 OH2 TIP3 620 10.519 -55.878 18.231 0.00 0.00 WAT1 ATOM 4266 H1 TIP3 620 10.093 -56.105 19.057 0.00 0.00 WAT1 ATOM 4267 H2 TIP3 620 11.100 -56.616 18.048 0.00 0.00 WAT1 ATOM 4268 OH2 TIP3 621 17.226 -50.469 7.506 0.00 0.00 WAT1 ATOM 4269 H1 TIP3 621 17.969 -49.883 7.366 0.00 0.00 WAT1 ATOM 4270 H2 TIP3 621 16.531 -49.901 7.839 0.00 0.00 WAT1 ATOM 4271 OH2 TIP3 622 2.203 -57.014 8.718 0.00 0.00 WAT1 ATOM 4272 H1 TIP3 622 1.517 -56.662 9.285 0.00 0.00 WAT1 ATOM 4273 H2 TIP3 622 2.726 -56.251 8.472 0.00 0.00 WAT1 ATOM 4274 OH2 TIP3 623 1.135 -61.736 6.731 0.00 0.00 WAT1 ATOM 4275 H1 TIP3 623 1.090 -60.797 6.910 0.00 0.00 WAT1 ATOM 4276 H2 TIP3 623 0.247 -61.972 6.461 0.00 0.00 WAT1 ATOM 4277 OH2 TIP3 624 14.448 -51.072 16.667 0.00 0.00 WAT1 ATOM 4278 H1 TIP3 624 14.292 -50.394 16.010 0.00 0.00 WAT1 ATOM 4279 H2 TIP3 624 15.380 -51.000 16.870 0.00 0.00 WAT1 ATOM 4280 OH2 TIP3 625 0.162 -50.401 22.895 0.00 0.00 WAT1 ATOM 4281 H1 TIP3 625 0.702 -50.618 23.654 0.00 0.00 WAT1 ATOM 4282 H2 TIP3 625 -0.319 -51.207 22.705 0.00 0.00 WAT1 ATOM 4283 OH2 TIP3 626 4.759 -51.482 24.515 0.00 0.00 WAT1 ATOM 4284 H1 TIP3 626 5.527 -51.941 24.856 0.00 0.00 WAT1 ATOM 4285 H2 TIP3 626 4.738 -51.708 23.585 0.00 0.00 WAT1 ATOM 4286 OH2 TIP3 627 6.724 -56.621 23.282 0.00 0.00 WAT1 ATOM 4287 H1 TIP3 627 6.396 -56.350 22.424 0.00 0.00 WAT1 ATOM 4288 H2 TIP3 627 6.876 -57.562 23.194 0.00 0.00 WAT1 ATOM 4289 OH2 TIP3 628 12.459 -56.705 20.665 0.00 0.00 WAT1 ATOM 4290 H1 TIP3 628 13.204 -56.117 20.545 0.00 0.00 WAT1 ATOM 4291 H2 TIP3 628 11.702 -56.123 20.728 0.00 0.00 WAT1 ATOM 4292 OH2 TIP3 629 5.559 -58.275 8.287 0.00 0.00 WAT1 ATOM 4293 H1 TIP3 629 5.100 -58.759 8.973 0.00 0.00 WAT1 ATOM 4294 H2 TIP3 629 5.814 -58.943 7.651 0.00 0.00 WAT1 ATOM 4295 OH2 TIP3 630 6.630 -60.032 6.550 0.00 0.00 WAT1 ATOM 4296 H1 TIP3 630 6.450 -60.186 5.622 0.00 0.00 WAT1 ATOM 4297 H2 TIP3 630 7.581 -59.924 6.594 0.00 0.00 WAT1 ATOM 4298 OH2 TIP3 631 17.164 -50.422 16.896 0.00 0.00 WAT1 ATOM 4299 H1 TIP3 631 17.142 -50.237 17.835 0.00 0.00 WAT1 ATOM 4300 H2 TIP3 631 17.854 -49.853 16.555 0.00 0.00 WAT1 ATOM 4301 OH2 TIP3 632 16.727 -50.855 19.818 0.00 0.00 WAT1 ATOM 4302 H1 TIP3 632 16.240 -51.590 19.447 0.00 0.00 WAT1 ATOM 4303 H2 TIP3 632 17.276 -51.248 20.496 0.00 0.00 WAT1 ATOM 4304 OH2 TIP3 633 15.178 -55.065 24.456 0.00 0.00 WAT1 ATOM 4305 H1 TIP3 633 14.312 -55.170 24.850 0.00 0.00 WAT1 ATOM 4306 H2 TIP3 633 15.554 -54.306 24.903 0.00 0.00 WAT1 ATOM 4307 OH2 TIP3 634 16.873 -58.755 11.794 0.00 0.00 WAT1 ATOM 4308 H1 TIP3 634 16.147 -59.234 12.192 0.00 0.00 WAT1 ATOM 4309 H2 TIP3 634 17.454 -58.549 12.526 0.00 0.00 WAT1 ATOM 4310 OH2 TIP3 635 15.119 -53.092 19.049 0.00 0.00 WAT1 ATOM 4311 H1 TIP3 635 14.471 -52.767 19.674 0.00 0.00 WAT1 ATOM 4312 H2 TIP3 635 14.601 -53.532 18.374 0.00 0.00 WAT1 ATOM 4313 OH2 TIP3 636 15.490 -61.614 6.736 0.00 0.00 WAT1 ATOM 4314 H1 TIP3 636 15.587 -60.947 6.056 0.00 0.00 WAT1 ATOM 4315 H2 TIP3 636 15.350 -62.430 6.254 0.00 0.00 WAT1 ATOM 4316 OH2 TIP3 637 14.660 -60.234 12.357 0.00 0.00 WAT1 ATOM 4317 H1 TIP3 637 14.510 -61.179 12.337 0.00 0.00 WAT1 ATOM 4318 H2 TIP3 637 14.306 -59.953 13.201 0.00 0.00 WAT1 ATOM 4319 OH2 TIP3 638 -0.305 -58.156 16.367 0.00 0.00 WAT1 ATOM 4320 H1 TIP3 638 -0.121 -58.238 15.432 0.00 0.00 WAT1 ATOM 4321 H2 TIP3 638 0.544 -58.280 16.791 0.00 0.00 WAT1 ATOM 4322 OH2 TIP3 639 14.738 -64.206 5.853 0.00 0.00 WAT1 ATOM 4323 H1 TIP3 639 15.348 -64.578 6.490 0.00 0.00 WAT1 ATOM 4324 H2 TIP3 639 13.901 -64.628 6.049 0.00 0.00 WAT1 ATOM 4325 OH2 TIP3 640 13.902 -50.332 12.468 0.00 0.00 WAT1 ATOM 4326 H1 TIP3 640 14.555 -50.679 11.860 0.00 0.00 WAT1 ATOM 4327 H2 TIP3 640 14.413 -49.843 13.114 0.00 0.00 WAT1 ATOM 4328 OH2 TIP3 641 1.287 -53.403 23.011 0.00 0.00 WAT1 ATOM 4329 H1 TIP3 641 0.466 -53.228 22.551 0.00 0.00 WAT1 ATOM 4330 H2 TIP3 641 1.035 -53.476 23.932 0.00 0.00 WAT1 ATOM 4331 OH2 TIP3 642 15.882 -50.552 10.476 0.00 0.00 WAT1 ATOM 4332 H1 TIP3 642 15.688 -51.300 9.911 0.00 0.00 WAT1 ATOM 4333 H2 TIP3 642 15.843 -49.794 9.892 0.00 0.00 WAT1 ATOM 4334 OH2 TIP3 643 15.100 -51.801 22.626 0.00 0.00 WAT1 ATOM 4335 H1 TIP3 643 14.318 -51.987 22.106 0.00 0.00 WAT1 ATOM 4336 H2 TIP3 643 15.028 -50.872 22.843 0.00 0.00 WAT1 ATOM 4337 OH2 TIP3 644 11.948 -50.452 26.454 0.00 0.00 WAT1 ATOM 4338 H1 TIP3 644 12.323 -51.196 25.983 0.00 0.00 WAT1 ATOM 4339 H2 TIP3 644 11.952 -50.722 27.372 0.00 0.00 WAT1 ATOM 4340 OH2 TIP3 645 12.722 -54.949 26.161 0.00 0.00 WAT1 ATOM 4341 H1 TIP3 645 13.075 -55.329 26.965 0.00 0.00 WAT1 ATOM 4342 H2 TIP3 645 11.773 -55.042 26.247 0.00 0.00 WAT1 ATOM 4343 OH2 TIP3 646 6.813 -53.837 24.608 0.00 0.00 WAT1 ATOM 4344 H1 TIP3 646 7.052 -54.585 24.060 0.00 0.00 WAT1 ATOM 4345 H2 TIP3 646 6.544 -54.225 25.440 0.00 0.00 WAT1 ATOM 4346 OH2 TIP3 647 8.488 -52.569 27.813 0.00 0.00 WAT1 ATOM 4347 H1 TIP3 647 7.671 -52.072 27.866 0.00 0.00 WAT1 ATOM 4348 H2 TIP3 647 9.017 -52.094 27.173 0.00 0.00 WAT1 ATOM 4349 OH2 TIP3 648 8.851 -51.974 24.746 0.00 0.00 WAT1 ATOM 4350 H1 TIP3 648 8.207 -52.605 25.068 0.00 0.00 WAT1 ATOM 4351 H2 TIP3 648 9.613 -52.505 24.514 0.00 0.00 WAT1 ATOM 4352 OH2 TIP3 649 13.455 -52.157 24.980 0.00 0.00 WAT1 ATOM 4353 H1 TIP3 649 13.738 -52.951 25.433 0.00 0.00 WAT1 ATOM 4354 H2 TIP3 649 14.195 -51.924 24.419 0.00 0.00 WAT1 ATOM 4355 OH2 TIP3 650 9.762 -55.200 24.573 0.00 0.00 WAT1 ATOM 4356 H1 TIP3 650 9.494 -55.020 25.474 0.00 0.00 WAT1 ATOM 4357 H2 TIP3 650 9.556 -56.126 24.442 0.00 0.00 WAT1 ATOM 4358 OH2 TIP3 651 6.528 -49.341 26.407 0.00 0.00 WAT1 ATOM 4359 H1 TIP3 651 7.461 -49.183 26.551 0.00 0.00 WAT1 ATOM 4360 H2 TIP3 651 6.264 -48.666 25.782 0.00 0.00 WAT1 ATOM 4361 OH2 TIP3 652 9.173 -50.115 26.652 0.00 0.00 WAT1 ATOM 4362 H1 TIP3 652 10.039 -49.749 26.474 0.00 0.00 WAT1 ATOM 4363 H2 TIP3 652 8.926 -50.555 25.839 0.00 0.00 WAT1 ATOM 4364 OH2 TIP3 653 2.127 -50.405 25.280 0.00 0.00 WAT1 ATOM 4365 H1 TIP3 653 1.859 -50.118 26.153 0.00 0.00 WAT1 ATOM 4366 H2 TIP3 653 2.898 -50.951 25.432 0.00 0.00 WAT1 ATOM 4367 OH2 TIP3 654 9.583 -39.804 -21.637 0.00 0.00 WAT1 ATOM 4368 H1 TIP3 654 9.545 -40.450 -20.932 0.00 0.00 WAT1 ATOM 4369 H2 TIP3 654 9.260 -40.270 -22.408 0.00 0.00 WAT1 ATOM 4370 OH2 TIP3 655 2.875 -35.739 -21.509 0.00 0.00 WAT1 ATOM 4371 H1 TIP3 655 2.505 -36.541 -21.878 0.00 0.00 WAT1 ATOM 4372 H2 TIP3 655 3.816 -35.908 -21.462 0.00 0.00 WAT1 ATOM 4373 OH2 TIP3 656 -0.515 -42.079 -26.116 0.00 0.00 WAT1 ATOM 4374 H1 TIP3 656 -0.963 -41.233 -26.134 0.00 0.00 WAT1 ATOM 4375 H2 TIP3 656 -1.076 -42.659 -26.631 0.00 0.00 WAT1 ATOM 4376 OH2 TIP3 657 0.195 -39.917 -23.990 0.00 0.00 WAT1 ATOM 4377 H1 TIP3 657 0.409 -40.687 -23.463 0.00 0.00 WAT1 ATOM 4378 H2 TIP3 657 0.933 -39.828 -24.593 0.00 0.00 WAT1 ATOM 4379 OH2 TIP3 658 7.972 -37.371 -21.231 0.00 0.00 WAT1 ATOM 4380 H1 TIP3 658 8.276 -38.057 -21.825 0.00 0.00 WAT1 ATOM 4381 H2 TIP3 658 8.694 -37.253 -20.613 0.00 0.00 WAT1 ATOM 4382 OH2 TIP3 659 11.113 -42.977 -20.903 0.00 0.00 WAT1 ATOM 4383 H1 TIP3 659 11.256 -43.924 -20.883 0.00 0.00 WAT1 ATOM 4384 H2 TIP3 659 11.007 -42.770 -21.832 0.00 0.00 WAT1 ATOM 4385 OH2 TIP3 660 6.044 -40.929 -23.653 0.00 0.00 WAT1 ATOM 4386 H1 TIP3 660 6.660 -41.455 -23.144 0.00 0.00 WAT1 ATOM 4387 H2 TIP3 660 5.458 -41.569 -24.057 0.00 0.00 WAT1 ATOM 4388 OH2 TIP3 661 14.101 -46.739 -19.570 0.00 0.00 WAT1 ATOM 4389 H1 TIP3 661 13.365 -46.128 -19.608 0.00 0.00 WAT1 ATOM 4390 H2 TIP3 661 14.785 -46.324 -20.096 0.00 0.00 WAT1 ATOM 4391 OH2 TIP3 662 12.674 -41.431 -17.584 0.00 0.00 WAT1 ATOM 4392 H1 TIP3 662 12.754 -40.668 -17.012 0.00 0.00 WAT1 ATOM 4393 H2 TIP3 662 12.073 -41.152 -18.275 0.00 0.00 WAT1 ATOM 4394 OH2 TIP3 663 4.422 -38.975 -24.769 0.00 0.00 WAT1 ATOM 4395 H1 TIP3 663 4.092 -39.345 -25.588 0.00 0.00 WAT1 ATOM 4396 H2 TIP3 663 5.010 -39.645 -24.423 0.00 0.00 WAT1 ATOM 4397 OH2 TIP3 664 5.789 -35.547 -22.088 0.00 0.00 WAT1 ATOM 4398 H1 TIP3 664 5.694 -36.125 -22.845 0.00 0.00 WAT1 ATOM 4399 H2 TIP3 664 6.518 -35.918 -21.592 0.00 0.00 WAT1 ATOM 4400 OH2 TIP3 665 11.098 -34.703 -20.402 0.00 0.00 WAT1 ATOM 4401 H1 TIP3 665 10.857 -34.041 -19.754 0.00 0.00 WAT1 ATOM 4402 H2 TIP3 665 10.900 -35.537 -19.977 0.00 0.00 WAT1 ATOM 4403 OH2 TIP3 666 -0.744 -34.762 -21.481 0.00 0.00 WAT1 ATOM 4404 H1 TIP3 666 0.202 -34.906 -21.500 0.00 0.00 WAT1 ATOM 4405 H2 TIP3 666 -0.857 -33.978 -20.944 0.00 0.00 WAT1 ATOM 4406 OH2 TIP3 667 2.500 -31.961 -25.336 0.00 0.00 WAT1 ATOM 4407 H1 TIP3 667 2.652 -32.309 -24.457 0.00 0.00 WAT1 ATOM 4408 H2 TIP3 667 1.649 -32.317 -25.591 0.00 0.00 WAT1 ATOM 4409 OH2 TIP3 668 14.605 -42.603 -15.319 0.00 0.00 WAT1 ATOM 4410 H1 TIP3 668 14.198 -42.122 -16.039 0.00 0.00 WAT1 ATOM 4411 H2 TIP3 668 14.646 -43.508 -15.626 0.00 0.00 WAT1 ATOM 4412 OH2 TIP3 669 12.362 -44.271 -17.098 0.00 0.00 WAT1 ATOM 4413 H1 TIP3 669 11.848 -44.397 -16.301 0.00 0.00 WAT1 ATOM 4414 H2 TIP3 669 12.207 -43.359 -17.343 0.00 0.00 WAT1 ATOM 4415 OH2 TIP3 670 4.461 -42.562 -25.319 0.00 0.00 WAT1 ATOM 4416 H1 TIP3 670 3.568 -42.903 -25.378 0.00 0.00 WAT1 ATOM 4417 H2 TIP3 670 4.912 -42.939 -26.075 0.00 0.00 WAT1 ATOM 4418 OH2 TIP3 671 11.001 -42.700 -23.688 0.00 0.00 WAT1 ATOM 4419 H1 TIP3 671 10.806 -42.095 -24.403 0.00 0.00 WAT1 ATOM 4420 H2 TIP3 671 11.183 -43.534 -24.123 0.00 0.00 WAT1 ATOM 4421 OH2 TIP3 672 -1.178 -45.347 -24.514 0.00 0.00 WAT1 ATOM 4422 H1 TIP3 672 -0.547 -45.376 -23.794 0.00 0.00 WAT1 ATOM 4423 H2 TIP3 672 -0.728 -45.772 -25.244 0.00 0.00 WAT1 ATOM 4424 OH2 TIP3 673 10.265 -41.062 -19.017 0.00 0.00 WAT1 ATOM 4425 H1 TIP3 673 10.589 -41.693 -19.660 0.00 0.00 WAT1 ATOM 4426 H2 TIP3 673 9.825 -41.597 -18.356 0.00 0.00 WAT1 ATOM 4427 OH2 TIP3 674 7.043 -45.135 -24.233 0.00 0.00 WAT1 ATOM 4428 H1 TIP3 674 6.132 -45.078 -23.944 0.00 0.00 WAT1 ATOM 4429 H2 TIP3 674 7.548 -45.195 -23.422 0.00 0.00 WAT1 ATOM 4430 OH2 TIP3 675 1.871 -43.506 -25.406 0.00 0.00 WAT1 ATOM 4431 H1 TIP3 675 0.982 -43.406 -25.746 0.00 0.00 WAT1 ATOM 4432 H2 TIP3 675 2.167 -44.348 -25.752 0.00 0.00 WAT1 ATOM 4433 OH2 TIP3 676 5.524 -43.506 -27.750 0.00 0.00 WAT1 ATOM 4434 H1 TIP3 676 6.456 -43.377 -27.572 0.00 0.00 WAT1 ATOM 4435 H2 TIP3 676 5.309 -42.836 -28.399 0.00 0.00 WAT1 ATOM 4436 OH2 TIP3 677 11.448 -45.900 -20.969 0.00 0.00 WAT1 ATOM 4437 H1 TIP3 677 10.771 -45.769 -20.305 0.00 0.00 WAT1 ATOM 4438 H2 TIP3 677 10.962 -46.055 -21.779 0.00 0.00 WAT1 ATOM 4439 OH2 TIP3 678 14.735 -30.228 -14.692 0.00 0.00 WAT1 ATOM 4440 H1 TIP3 678 14.935 -29.804 -15.527 0.00 0.00 WAT1 ATOM 4441 H2 TIP3 678 15.391 -29.885 -14.085 0.00 0.00 WAT1 ATOM 4442 OH2 TIP3 679 8.363 -42.347 -22.346 0.00 0.00 WAT1 ATOM 4443 H1 TIP3 679 8.927 -42.894 -22.893 0.00 0.00 WAT1 ATOM 4444 H2 TIP3 679 8.215 -42.869 -21.557 0.00 0.00 WAT1 ATOM 4445 OH2 TIP3 680 3.365 -46.211 -25.928 0.00 0.00 WAT1 ATOM 4446 H1 TIP3 680 3.048 -47.113 -25.963 0.00 0.00 WAT1 ATOM 4447 H2 TIP3 680 4.146 -46.209 -26.480 0.00 0.00 WAT1 ATOM 4448 OH2 TIP3 681 9.053 -37.562 -17.010 0.00 0.00 WAT1 ATOM 4449 H1 TIP3 681 8.707 -37.943 -16.204 0.00 0.00 WAT1 ATOM 4450 H2 TIP3 681 8.853 -36.628 -16.939 0.00 0.00 WAT1 ATOM 4451 OH2 TIP3 682 2.658 -38.451 -22.478 0.00 0.00 WAT1 ATOM 4452 H1 TIP3 682 3.403 -38.453 -23.079 0.00 0.00 WAT1 ATOM 4453 H2 TIP3 682 2.736 -39.275 -21.996 0.00 0.00 WAT1 ATOM 4454 OH2 TIP3 683 11.303 -35.100 -17.060 0.00 0.00 WAT1 ATOM 4455 H1 TIP3 683 10.402 -34.917 -17.328 0.00 0.00 WAT1 ATOM 4456 H2 TIP3 683 11.337 -34.841 -16.139 0.00 0.00 WAT1 ATOM 4457 OH2 TIP3 684 12.490 -39.261 -21.206 0.00 0.00 WAT1 ATOM 4458 H1 TIP3 684 11.562 -39.493 -21.233 0.00 0.00 WAT1 ATOM 4459 H2 TIP3 684 12.941 -40.038 -21.536 0.00 0.00 WAT1 ATOM 4460 OH2 TIP3 685 5.033 -34.933 -25.073 0.00 0.00 WAT1 ATOM 4461 H1 TIP3 685 5.560 -34.160 -25.274 0.00 0.00 WAT1 ATOM 4462 H2 TIP3 685 4.153 -34.708 -25.375 0.00 0.00 WAT1 ATOM 4463 OH2 TIP3 686 6.975 -33.121 -19.182 0.00 0.00 WAT1 ATOM 4464 H1 TIP3 686 7.338 -32.266 -19.415 0.00 0.00 WAT1 ATOM 4465 H2 TIP3 686 7.507 -33.413 -18.441 0.00 0.00 WAT1 ATOM 4466 OH2 TIP3 687 10.519 -37.022 -19.481 0.00 0.00 WAT1 ATOM 4467 H1 TIP3 687 10.093 -37.249 -18.655 0.00 0.00 WAT1 ATOM 4468 H2 TIP3 687 11.100 -37.760 -19.664 0.00 0.00 WAT1 ATOM 4469 OH2 TIP3 688 10.035 -45.496 -18.715 0.00 0.00 WAT1 ATOM 4470 H1 TIP3 688 10.733 -45.422 -18.065 0.00 0.00 WAT1 ATOM 4471 H2 TIP3 688 9.654 -46.360 -18.560 0.00 0.00 WAT1 ATOM 4472 OH2 TIP3 689 8.019 -44.116 -26.783 0.00 0.00 WAT1 ATOM 4473 H1 TIP3 689 8.831 -43.612 -26.737 0.00 0.00 WAT1 ATOM 4474 H2 TIP3 689 7.774 -44.261 -25.869 0.00 0.00 WAT1 ATOM 4475 OH2 TIP3 690 8.903 -47.035 -25.845 0.00 0.00 WAT1 ATOM 4476 H1 TIP3 690 8.556 -46.417 -25.200 0.00 0.00 WAT1 ATOM 4477 H2 TIP3 690 9.561 -46.534 -26.326 0.00 0.00 WAT1 ATOM 4478 OH2 TIP3 691 14.759 -45.223 -16.763 0.00 0.00 WAT1 ATOM 4479 H1 TIP3 691 13.843 -44.960 -16.851 0.00 0.00 WAT1 ATOM 4480 H2 TIP3 691 15.095 -45.226 -17.660 0.00 0.00 WAT1 ATOM 4481 OH2 TIP3 692 11.336 -34.246 -14.468 0.00 0.00 WAT1 ATOM 4482 H1 TIP3 692 10.985 -35.102 -14.225 0.00 0.00 WAT1 ATOM 4483 H2 TIP3 692 12.062 -34.103 -13.861 0.00 0.00 WAT1 ATOM 4484 OH2 TIP3 693 12.459 -37.849 -17.047 0.00 0.00 WAT1 ATOM 4485 H1 TIP3 693 13.204 -37.261 -17.167 0.00 0.00 WAT1 ATOM 4486 H2 TIP3 693 11.702 -37.267 -16.984 0.00 0.00 WAT1 ATOM 4487 OH2 TIP3 694 9.868 -39.055 -13.791 0.00 0.00 WAT1 ATOM 4488 H1 TIP3 694 10.821 -38.971 -13.819 0.00 0.00 WAT1 ATOM 4489 H2 TIP3 694 9.708 -39.766 -13.172 0.00 0.00 WAT1 ATOM 4490 OH2 TIP3 695 12.914 -39.758 -15.148 0.00 0.00 WAT1 ATOM 4491 H1 TIP3 695 12.633 -39.049 -15.726 0.00 0.00 WAT1 ATOM 4492 H2 TIP3 695 13.857 -39.831 -15.299 0.00 0.00 WAT1 ATOM 4493 OH2 TIP3 696 10.386 -44.896 -15.423 0.00 0.00 WAT1 ATOM 4494 H1 TIP3 696 9.438 -44.864 -15.291 0.00 0.00 WAT1 ATOM 4495 H2 TIP3 696 10.698 -45.521 -14.769 0.00 0.00 WAT1 ATOM 4496 OH2 TIP3 697 -0.385 -32.375 -23.796 0.00 0.00 WAT1 ATOM 4497 H1 TIP3 697 -0.719 -33.256 -23.624 0.00 0.00 WAT1 ATOM 4498 H2 TIP3 697 -0.163 -32.030 -22.932 0.00 0.00 WAT1 ATOM 4499 OH2 TIP3 698 15.178 -36.209 -13.256 0.00 0.00 WAT1 ATOM 4500 H1 TIP3 698 14.312 -36.314 -12.862 0.00 0.00 WAT1 ATOM 4501 H2 TIP3 698 15.554 -35.450 -12.809 0.00 0.00 WAT1 ATOM 4502 OH2 TIP3 699 -0.305 -39.300 -21.345 0.00 0.00 WAT1 ATOM 4503 H1 TIP3 699 -0.121 -39.382 -22.280 0.00 0.00 WAT1 ATOM 4504 H2 TIP3 699 0.544 -39.424 -20.921 0.00 0.00 WAT1 ATOM 4505 OH2 TIP3 700 15.516 -39.408 -15.716 0.00 0.00 WAT1 ATOM 4506 H1 TIP3 700 16.099 -40.142 -15.525 0.00 0.00 WAT1 ATOM 4507 H2 TIP3 700 16.080 -38.636 -15.670 0.00 0.00 WAT1 ATOM 4508 OH2 TIP3 701 17.013 -41.505 -15.032 0.00 0.00 WAT1 ATOM 4509 H1 TIP3 701 16.150 -41.884 -15.197 0.00 0.00 WAT1 ATOM 4510 H2 TIP3 701 17.617 -42.244 -15.106 0.00 0.00 WAT1 ATOM 4511 OH2 TIP3 702 16.814 -46.388 -14.978 0.00 0.00 WAT1 ATOM 4512 H1 TIP3 702 15.897 -46.117 -15.014 0.00 0.00 WAT1 ATOM 4513 H2 TIP3 702 16.937 -46.923 -15.762 0.00 0.00 WAT1 ATOM 4514 OH2 TIP3 703 10.897 -30.888 -16.239 0.00 0.00 WAT1 ATOM 4515 H1 TIP3 703 11.574 -31.520 -16.479 0.00 0.00 WAT1 ATOM 4516 H2 TIP3 703 11.219 -30.486 -15.431 0.00 0.00 WAT1 ATOM 4517 OH2 TIP3 704 15.815 -48.298 -17.159 0.00 0.00 WAT1 ATOM 4518 H1 TIP3 704 15.002 -47.973 -17.547 0.00 0.00 WAT1 ATOM 4519 H2 TIP3 704 16.048 -49.058 -17.692 0.00 0.00 WAT1 ATOM 4520 OH2 TIP3 705 8.821 -30.828 -20.189 0.00 0.00 WAT1 ATOM 4521 H1 TIP3 705 8.364 -30.299 -20.843 0.00 0.00 WAT1 ATOM 4522 H2 TIP3 705 8.984 -30.225 -19.464 0.00 0.00 WAT1 ATOM 4523 OH2 TIP3 706 11.148 -31.950 -19.244 0.00 0.00 WAT1 ATOM 4524 H1 TIP3 706 10.244 -31.785 -19.510 0.00 0.00 WAT1 ATOM 4525 H2 TIP3 706 11.577 -31.097 -19.310 0.00 0.00 WAT1 ATOM 4526 OH2 TIP3 707 3.199 -32.983 -22.829 0.00 0.00 WAT1 ATOM 4527 H1 TIP3 707 2.980 -33.899 -22.660 0.00 0.00 WAT1 ATOM 4528 H2 TIP3 707 4.023 -32.843 -22.363 0.00 0.00 WAT1 ATOM 4529 OH2 TIP3 708 5.736 -32.513 -21.981 0.00 0.00 WAT1 ATOM 4530 H1 TIP3 708 5.949 -33.401 -22.268 0.00 0.00 WAT1 ATOM 4531 H2 TIP3 708 5.801 -32.547 -21.026 0.00 0.00 WAT1 ATOM 4532 OH2 TIP3 709 9.245 -46.849 -22.836 0.00 0.00 WAT1 ATOM 4533 H1 TIP3 709 8.570 -47.478 -22.581 0.00 0.00 WAT1 ATOM 4534 H2 TIP3 709 9.809 -47.333 -23.439 0.00 0.00 WAT1 ATOM 4535 OH2 TIP3 710 1.571 -48.215 -25.014 0.00 0.00 WAT1 ATOM 4536 H1 TIP3 710 0.794 -48.449 -25.522 0.00 0.00 WAT1 ATOM 4537 H2 TIP3 710 2.102 -49.012 -25.006 0.00 0.00 WAT1 ATOM 4538 OH2 TIP3 711 6.151 -48.288 -25.201 0.00 0.00 WAT1 ATOM 4539 H1 TIP3 711 7.025 -47.900 -25.231 0.00 0.00 WAT1 ATOM 4540 H2 TIP3 711 6.015 -48.503 -24.278 0.00 0.00 WAT1 ATOM 4541 OH2 TIP3 712 11.708 -48.258 -23.552 0.00 0.00 WAT1 ATOM 4542 H1 TIP3 712 11.784 -48.163 -24.501 0.00 0.00 WAT1 ATOM 4543 H2 TIP3 712 11.432 -49.166 -23.423 0.00 0.00 WAT1 ATOM 4544 OH2 TIP3 713 7.295 -46.208 -28.311 0.00 0.00 WAT1 ATOM 4545 H1 TIP3 713 7.473 -46.854 -27.628 0.00 0.00 WAT1 ATOM 4546 H2 TIP3 713 7.241 -45.374 -27.844 0.00 0.00 WAT1 ATOM 4547 OH2 TIP3 714 16.536 -34.327 -11.921 0.00 0.00 WAT1 ATOM 4548 H1 TIP3 714 16.609 -33.388 -11.751 0.00 0.00 WAT1 ATOM 4549 H2 TIP3 714 17.441 -34.632 -11.978 0.00 0.00 WAT1 ATOM 4550 OH2 TIP3 715 9.659 -36.287 -10.366 0.00 0.00 WAT1 ATOM 4551 H1 TIP3 715 9.364 -35.461 -9.984 0.00 0.00 WAT1 ATOM 4552 H2 TIP3 715 8.956 -36.907 -10.170 0.00 0.00 WAT1 ATOM 4553 OH2 TIP3 716 15.330 -34.069 -9.372 0.00 0.00 WAT1 ATOM 4554 H1 TIP3 716 14.957 -34.895 -9.062 0.00 0.00 WAT1 ATOM 4555 H2 TIP3 716 15.607 -34.252 -10.269 0.00 0.00 WAT1 ATOM 4556 OH2 TIP3 717 12.722 -36.093 -11.551 0.00 0.00 WAT1 ATOM 4557 H1 TIP3 717 13.075 -36.473 -10.747 0.00 0.00 WAT1 ATOM 4558 H2 TIP3 717 11.773 -36.186 -11.465 0.00 0.00 WAT1 ATOM 4559 OH2 TIP3 718 17.226 -31.613 -11.350 0.00 0.00 WAT1 ATOM 4560 H1 TIP3 718 17.969 -31.027 -11.490 0.00 0.00 WAT1 ATOM 4561 H2 TIP3 718 16.531 -31.045 -11.017 0.00 0.00 WAT1 ATOM 4562 OH2 TIP3 719 13.588 -37.420 -9.325 0.00 0.00 WAT1 ATOM 4563 H1 TIP3 719 13.311 -38.148 -8.769 0.00 0.00 WAT1 ATOM 4564 H2 TIP3 719 14.515 -37.301 -9.119 0.00 0.00 WAT1 ATOM 4565 OH2 TIP3 720 8.851 -33.118 -12.966 0.00 0.00 WAT1 ATOM 4566 H1 TIP3 720 8.207 -33.749 -12.644 0.00 0.00 WAT1 ATOM 4567 H2 TIP3 720 9.613 -33.649 -13.198 0.00 0.00 WAT1 ATOM 4568 OH2 TIP3 721 13.455 -33.301 -12.732 0.00 0.00 WAT1 ATOM 4569 H1 TIP3 721 13.738 -34.095 -12.279 0.00 0.00 WAT1 ATOM 4570 H2 TIP3 721 14.195 -33.068 -13.293 0.00 0.00 WAT1 ATOM 4571 OH2 TIP3 722 9.762 -36.344 -13.139 0.00 0.00 WAT1 ATOM 4572 H1 TIP3 722 9.494 -36.164 -12.238 0.00 0.00 WAT1 ATOM 4573 H2 TIP3 722 9.556 -37.270 -13.270 0.00 0.00 WAT1 ATOM 4574 OH2 TIP3 723 16.020 -38.821 -12.861 0.00 0.00 WAT1 ATOM 4575 H1 TIP3 723 15.747 -39.246 -13.674 0.00 0.00 WAT1 ATOM 4576 H2 TIP3 723 16.060 -37.890 -13.078 0.00 0.00 WAT1 ATOM 4577 OH2 TIP3 724 16.479 -37.952 -8.886 0.00 0.00 WAT1 ATOM 4578 H1 TIP3 724 17.329 -37.531 -8.758 0.00 0.00 WAT1 ATOM 4579 H2 TIP3 724 16.484 -38.692 -8.278 0.00 0.00 WAT1 ATOM 4580 OH2 TIP3 725 16.873 -39.899 -7.062 0.00 0.00 WAT1 ATOM 4581 H1 TIP3 725 16.147 -40.378 -6.664 0.00 0.00 WAT1 ATOM 4582 H2 TIP3 725 17.454 -39.693 -6.330 0.00 0.00 WAT1 ATOM 4583 OH2 TIP3 726 17.141 -39.998 -10.671 0.00 0.00 WAT1 ATOM 4584 H1 TIP3 726 16.620 -39.641 -11.390 0.00 0.00 WAT1 ATOM 4585 H2 TIP3 726 17.108 -39.323 -9.993 0.00 0.00 WAT1 ATOM 4586 OH2 TIP3 727 1.058 -31.693 -2.628 0.00 0.00 WAT1 ATOM 4587 H1 TIP3 727 1.039 -32.118 -1.771 0.00 0.00 WAT1 ATOM 4588 H2 TIP3 727 1.863 -32.011 -3.037 0.00 0.00 WAT1 ATOM 4589 OH2 TIP3 728 15.882 -31.696 -8.380 0.00 0.00 WAT1 ATOM 4590 H1 TIP3 728 15.688 -32.444 -8.945 0.00 0.00 WAT1 ATOM 4591 H2 TIP3 728 15.843 -30.938 -8.964 0.00 0.00 WAT1 ATOM 4592 OH2 TIP3 729 16.635 -45.770 17.342 0.00 0.00 WAT1 ATOM 4593 H1 TIP3 729 16.684 -45.160 18.078 0.00 0.00 WAT1 ATOM 4594 H2 TIP3 729 17.061 -45.309 16.619 0.00 0.00 WAT1 ATOM 4595 OH2 TIP3 730 17.027 -44.292 19.578 0.00 0.00 WAT1 ATOM 4596 H1 TIP3 730 16.338 -43.634 19.483 0.00 0.00 WAT1 ATOM 4597 H2 TIP3 730 17.042 -44.489 20.515 0.00 0.00 WAT1 ATOM 4598 OH2 TIP3 731 14.101 -46.739 18.142 0.00 0.00 WAT1 ATOM 4599 H1 TIP3 731 13.365 -46.128 18.104 0.00 0.00 WAT1 ATOM 4600 H2 TIP3 731 14.785 -46.324 17.616 0.00 0.00 WAT1 ATOM 4601 OH2 TIP3 732 17.453 -34.096 21.913 0.00 0.00 WAT1 ATOM 4602 H1 TIP3 732 17.404 -35.051 21.876 0.00 0.00 WAT1 ATOM 4603 H2 TIP3 732 16.627 -33.828 22.315 0.00 0.00 WAT1 ATOM 4604 OH2 TIP3 733 14.605 -42.603 22.393 0.00 0.00 WAT1 ATOM 4605 H1 TIP3 733 14.198 -42.122 21.673 0.00 0.00 WAT1 ATOM 4606 H2 TIP3 733 14.646 -43.508 22.086 0.00 0.00 WAT1 ATOM 4607 OH2 TIP3 734 16.998 -37.055 21.856 0.00 0.00 WAT1 ATOM 4608 H1 TIP3 734 16.146 -36.817 21.489 0.00 0.00 WAT1 ATOM 4609 H2 TIP3 734 17.588 -37.072 21.103 0.00 0.00 WAT1 ATOM 4610 OH2 TIP3 735 14.759 -45.223 20.949 0.00 0.00 WAT1 ATOM 4611 H1 TIP3 735 13.843 -44.960 20.861 0.00 0.00 WAT1 ATOM 4612 H2 TIP3 735 15.095 -45.226 20.052 0.00 0.00 WAT1 ATOM 4613 OH2 TIP3 736 11.336 -34.246 23.244 0.00 0.00 WAT1 ATOM 4614 H1 TIP3 736 10.985 -35.102 23.487 0.00 0.00 WAT1 ATOM 4615 H2 TIP3 736 12.062 -34.103 23.851 0.00 0.00 WAT1 ATOM 4616 OH2 TIP3 737 9.868 -39.055 23.921 0.00 0.00 WAT1 ATOM 4617 H1 TIP3 737 10.821 -38.971 23.893 0.00 0.00 WAT1 ATOM 4618 H2 TIP3 737 9.708 -39.766 24.540 0.00 0.00 WAT1 ATOM 4619 OH2 TIP3 738 11.598 -42.547 24.486 0.00 0.00 WAT1 ATOM 4620 H1 TIP3 738 11.790 -43.478 24.375 0.00 0.00 WAT1 ATOM 4621 H2 TIP3 738 12.455 -42.122 24.476 0.00 0.00 WAT1 ATOM 4622 OH2 TIP3 739 12.914 -39.758 22.564 0.00 0.00 WAT1 ATOM 4623 H1 TIP3 739 12.633 -39.049 21.986 0.00 0.00 WAT1 ATOM 4624 H2 TIP3 739 13.857 -39.831 22.413 0.00 0.00 WAT1 ATOM 4625 OH2 TIP3 740 12.020 -46.262 24.294 0.00 0.00 WAT1 ATOM 4626 H1 TIP3 740 11.923 -47.214 24.288 0.00 0.00 WAT1 ATOM 4627 H2 TIP3 740 11.698 -45.993 25.155 0.00 0.00 WAT1 ATOM 4628 OH2 TIP3 741 15.178 -36.209 24.456 0.00 0.00 WAT1 ATOM 4629 H1 TIP3 741 14.312 -36.314 24.850 0.00 0.00 WAT1 ATOM 4630 H2 TIP3 741 15.554 -35.450 24.903 0.00 0.00 WAT1 ATOM 4631 OH2 TIP3 742 15.516 -39.408 21.996 0.00 0.00 WAT1 ATOM 4632 H1 TIP3 742 16.099 -40.142 22.187 0.00 0.00 WAT1 ATOM 4633 H2 TIP3 742 16.080 -38.636 22.042 0.00 0.00 WAT1 ATOM 4634 OH2 TIP3 743 17.013 -41.505 22.680 0.00 0.00 WAT1 ATOM 4635 H1 TIP3 743 16.150 -41.884 22.515 0.00 0.00 WAT1 ATOM 4636 H2 TIP3 743 17.617 -42.244 22.606 0.00 0.00 WAT1 ATOM 4637 OH2 TIP3 744 17.294 -48.497 24.385 0.00 0.00 WAT1 ATOM 4638 H1 TIP3 744 17.644 -49.151 23.779 0.00 0.00 WAT1 ATOM 4639 H2 TIP3 744 17.441 -47.660 23.945 0.00 0.00 WAT1 ATOM 4640 OH2 TIP3 745 16.814 -46.388 22.734 0.00 0.00 WAT1 ATOM 4641 H1 TIP3 745 15.897 -46.117 22.698 0.00 0.00 WAT1 ATOM 4642 H2 TIP3 745 16.937 -46.923 21.950 0.00 0.00 WAT1 ATOM 4643 OH2 TIP3 746 15.815 -48.298 20.553 0.00 0.00 WAT1 ATOM 4644 H1 TIP3 746 15.002 -47.973 20.165 0.00 0.00 WAT1 ATOM 4645 H2 TIP3 746 16.048 -49.058 20.020 0.00 0.00 WAT1 ATOM 4646 OH2 TIP3 747 14.387 -48.742 14.988 0.00 0.00 WAT1 ATOM 4647 H1 TIP3 747 14.991 -48.194 14.487 0.00 0.00 WAT1 ATOM 4648 H2 TIP3 747 13.518 -48.422 14.748 0.00 0.00 WAT1 ATOM 4649 OH2 TIP3 748 16.114 -47.603 13.322 0.00 0.00 WAT1 ATOM 4650 H1 TIP3 748 16.726 -48.117 12.795 0.00 0.00 WAT1 ATOM 4651 H2 TIP3 748 16.497 -46.725 13.345 0.00 0.00 WAT1 ATOM 4652 OH2 TIP3 749 11.708 -48.258 14.160 0.00 0.00 WAT1 ATOM 4653 H1 TIP3 749 11.784 -48.163 13.211 0.00 0.00 WAT1 ATOM 4654 H2 TIP3 749 11.432 -49.166 14.289 0.00 0.00 WAT1 ATOM 4655 OH2 TIP3 750 13.061 -48.232 9.853 0.00 0.00 WAT1 ATOM 4656 H1 TIP3 750 12.358 -47.618 9.643 0.00 0.00 WAT1 ATOM 4657 H2 TIP3 750 12.616 -49.070 9.984 0.00 0.00 WAT1 ATOM 4658 OH2 TIP3 751 3.502 -48.350 23.751 0.00 0.00 WAT1 ATOM 4659 H1 TIP3 751 4.401 -48.624 23.566 0.00 0.00 WAT1 ATOM 4660 H2 TIP3 751 3.116 -49.093 24.215 0.00 0.00 WAT1 ATOM 4661 OH2 TIP3 752 -0.515 -42.079 30.452 0.00 0.00 WAT1 ATOM 4662 H1 TIP3 752 -0.963 -41.233 30.434 0.00 0.00 WAT1 ATOM 4663 H2 TIP3 752 -1.076 -42.659 29.937 0.00 0.00 WAT1 ATOM 4664 OH2 TIP3 753 0.195 -39.917 32.578 0.00 0.00 WAT1 ATOM 4665 H1 TIP3 753 0.409 -40.687 33.105 0.00 0.00 WAT1 ATOM 4666 H2 TIP3 753 0.933 -39.828 31.975 0.00 0.00 WAT1 ATOM 4667 OH2 TIP3 754 0.176 -36.647 28.868 0.00 0.00 WAT1 ATOM 4668 H1 TIP3 754 -0.096 -36.418 27.979 0.00 0.00 WAT1 ATOM 4669 H2 TIP3 754 0.221 -35.809 29.328 0.00 0.00 WAT1 ATOM 4670 OH2 TIP3 755 9.371 -39.815 28.964 0.00 0.00 WAT1 ATOM 4671 H1 TIP3 755 8.659 -39.280 28.613 0.00 0.00 WAT1 ATOM 4672 H2 TIP3 755 10.062 -39.759 28.304 0.00 0.00 WAT1 ATOM 4673 OH2 TIP3 756 9.425 -41.357 26.003 0.00 0.00 WAT1 ATOM 4674 H1 TIP3 756 10.126 -41.335 26.654 0.00 0.00 WAT1 ATOM 4675 H2 TIP3 756 9.727 -41.985 25.347 0.00 0.00 WAT1 ATOM 4676 OH2 TIP3 757 4.422 -38.975 31.799 0.00 0.00 WAT1 ATOM 4677 H1 TIP3 757 4.092 -39.345 30.980 0.00 0.00 WAT1 ATOM 4678 H2 TIP3 757 5.010 -39.645 32.145 0.00 0.00 WAT1 ATOM 4679 OH2 TIP3 758 11.648 -40.443 27.601 0.00 0.00 WAT1 ATOM 4680 H1 TIP3 758 12.227 -40.293 28.348 0.00 0.00 WAT1 ATOM 4681 H2 TIP3 758 12.062 -39.972 26.878 0.00 0.00 WAT1 ATOM 4682 OH2 TIP3 759 3.412 -39.905 29.388 0.00 0.00 WAT1 ATOM 4683 H1 TIP3 759 3.120 -39.137 28.897 0.00 0.00 WAT1 ATOM 4684 H2 TIP3 759 2.738 -40.565 29.225 0.00 0.00 WAT1 ATOM 4685 OH2 TIP3 760 16.536 -34.327 25.791 0.00 0.00 WAT1 ATOM 4686 H1 TIP3 760 16.609 -33.388 25.961 0.00 0.00 WAT1 ATOM 4687 H2 TIP3 760 17.441 -34.632 25.734 0.00 0.00 WAT1 ATOM 4688 OH2 TIP3 761 11.948 -31.596 26.454 0.00 0.00 WAT1 ATOM 4689 H1 TIP3 761 12.323 -32.340 25.983 0.00 0.00 WAT1 ATOM 4690 H2 TIP3 761 11.952 -31.866 27.372 0.00 0.00 WAT1 ATOM 4691 OH2 TIP3 762 11.617 -31.670 29.203 0.00 0.00 WAT1 ATOM 4692 H1 TIP3 762 10.682 -31.570 29.382 0.00 0.00 WAT1 ATOM 4693 H2 TIP3 762 11.897 -32.379 29.781 0.00 0.00 WAT1 ATOM 4694 OH2 TIP3 763 13.125 -39.410 25.231 0.00 0.00 WAT1 ATOM 4695 H1 TIP3 763 13.167 -39.633 24.301 0.00 0.00 WAT1 ATOM 4696 H2 TIP3 763 13.974 -39.012 25.421 0.00 0.00 WAT1 ATOM 4697 OH2 TIP3 764 8.698 -45.534 25.901 0.00 0.00 WAT1 ATOM 4698 H1 TIP3 764 8.444 -45.515 26.824 0.00 0.00 WAT1 ATOM 4699 H2 TIP3 764 8.441 -46.406 25.600 0.00 0.00 WAT1 ATOM 4700 OH2 TIP3 765 4.461 -42.562 31.249 0.00 0.00 WAT1 ATOM 4701 H1 TIP3 765 3.568 -42.903 31.190 0.00 0.00 WAT1 ATOM 4702 H2 TIP3 765 4.912 -42.939 30.493 0.00 0.00 WAT1 ATOM 4703 OH2 TIP3 766 0.097 -44.601 27.478 0.00 0.00 WAT1 ATOM 4704 H1 TIP3 766 0.571 -44.010 26.893 0.00 0.00 WAT1 ATOM 4705 H2 TIP3 766 -0.621 -44.070 27.825 0.00 0.00 WAT1 ATOM 4706 OH2 TIP3 767 1.871 -43.506 31.162 0.00 0.00 WAT1 ATOM 4707 H1 TIP3 767 0.982 -43.406 30.822 0.00 0.00 WAT1 ATOM 4708 H2 TIP3 767 2.167 -44.348 30.816 0.00 0.00 WAT1 ATOM 4709 OH2 TIP3 768 5.524 -43.506 28.818 0.00 0.00 WAT1 ATOM 4710 H1 TIP3 768 6.456 -43.377 28.996 0.00 0.00 WAT1 ATOM 4711 H2 TIP3 768 5.309 -42.836 28.169 0.00 0.00 WAT1 ATOM 4712 OH2 TIP3 769 7.533 -37.746 28.321 0.00 0.00 WAT1 ATOM 4713 H1 TIP3 769 6.789 -38.253 27.998 0.00 0.00 WAT1 ATOM 4714 H2 TIP3 769 7.399 -37.697 29.267 0.00 0.00 WAT1 ATOM 4715 OH2 TIP3 770 11.431 -44.932 26.520 0.00 0.00 WAT1 ATOM 4716 H1 TIP3 770 10.493 -44.820 26.369 0.00 0.00 WAT1 ATOM 4717 H2 TIP3 770 11.728 -44.075 26.826 0.00 0.00 WAT1 ATOM 4718 OH2 TIP3 771 9.659 -36.287 27.346 0.00 0.00 WAT1 ATOM 4719 H1 TIP3 771 9.364 -35.461 27.728 0.00 0.00 WAT1 ATOM 4720 H2 TIP3 771 8.956 -36.907 27.542 0.00 0.00 WAT1 ATOM 4721 OH2 TIP3 772 12.722 -36.093 26.161 0.00 0.00 WAT1 ATOM 4722 H1 TIP3 772 13.075 -36.473 26.965 0.00 0.00 WAT1 ATOM 4723 H2 TIP3 772 11.773 -36.186 26.247 0.00 0.00 WAT1 ATOM 4724 OH2 TIP3 773 17.226 -31.613 26.362 0.00 0.00 WAT1 ATOM 4725 H1 TIP3 773 17.969 -31.027 26.222 0.00 0.00 WAT1 ATOM 4726 H2 TIP3 773 16.531 -31.045 26.695 0.00 0.00 WAT1 ATOM 4727 OH2 TIP3 774 6.813 -34.981 24.608 0.00 0.00 WAT1 ATOM 4728 H1 TIP3 774 7.052 -35.729 24.060 0.00 0.00 WAT1 ATOM 4729 H2 TIP3 774 6.544 -35.369 25.440 0.00 0.00 WAT1 ATOM 4730 OH2 TIP3 775 5.750 -35.411 27.064 0.00 0.00 WAT1 ATOM 4731 H1 TIP3 775 5.897 -35.931 27.854 0.00 0.00 WAT1 ATOM 4732 H2 TIP3 775 5.747 -34.504 27.370 0.00 0.00 WAT1 ATOM 4733 OH2 TIP3 776 8.488 -33.713 27.813 0.00 0.00 WAT1 ATOM 4734 H1 TIP3 776 7.671 -33.216 27.866 0.00 0.00 WAT1 ATOM 4735 H2 TIP3 776 9.017 -33.238 27.173 0.00 0.00 WAT1 ATOM 4736 OH2 TIP3 777 8.019 -44.116 29.785 0.00 0.00 WAT1 ATOM 4737 H1 TIP3 777 8.831 -43.612 29.831 0.00 0.00 WAT1 ATOM 4738 H2 TIP3 777 7.774 -44.261 30.699 0.00 0.00 WAT1 ATOM 4739 OH2 TIP3 778 5.826 -32.670 27.795 0.00 0.00 WAT1 ATOM 4740 H1 TIP3 778 5.987 -31.870 27.294 0.00 0.00 WAT1 ATOM 4741 H2 TIP3 778 5.629 -32.363 28.680 0.00 0.00 WAT1 ATOM 4742 OH2 TIP3 779 4.560 -45.972 27.411 0.00 0.00 WAT1 ATOM 4743 H1 TIP3 779 4.477 -45.083 27.757 0.00 0.00 WAT1 ATOM 4744 H2 TIP3 779 5.450 -46.237 27.642 0.00 0.00 WAT1 ATOM 4745 OH2 TIP3 780 2.819 -35.544 26.471 0.00 0.00 WAT1 ATOM 4746 H1 TIP3 780 3.411 -34.845 26.747 0.00 0.00 WAT1 ATOM 4747 H2 TIP3 780 3.278 -35.977 25.752 0.00 0.00 WAT1 ATOM 4748 OH2 TIP3 781 0.873 -34.158 30.421 0.00 0.00 WAT1 ATOM 4749 H1 TIP3 781 0.041 -33.685 30.448 0.00 0.00 WAT1 ATOM 4750 H2 TIP3 781 1.419 -33.648 29.822 0.00 0.00 WAT1 ATOM 4751 OH2 TIP3 782 8.851 -33.118 24.746 0.00 0.00 WAT1 ATOM 4752 H1 TIP3 782 8.207 -33.749 25.068 0.00 0.00 WAT1 ATOM 4753 H2 TIP3 782 9.613 -33.649 24.514 0.00 0.00 WAT1 ATOM 4754 OH2 TIP3 783 13.455 -33.301 24.980 0.00 0.00 WAT1 ATOM 4755 H1 TIP3 783 13.738 -34.095 25.433 0.00 0.00 WAT1 ATOM 4756 H2 TIP3 783 14.195 -33.068 24.419 0.00 0.00 WAT1 ATOM 4757 OH2 TIP3 784 9.762 -36.344 24.573 0.00 0.00 WAT1 ATOM 4758 H1 TIP3 784 9.494 -36.164 25.474 0.00 0.00 WAT1 ATOM 4759 H2 TIP3 784 9.556 -37.270 24.442 0.00 0.00 WAT1 ATOM 4760 OH2 TIP3 785 5.559 -39.419 27.143 0.00 0.00 WAT1 ATOM 4761 H1 TIP3 785 5.100 -39.903 27.829 0.00 0.00 WAT1 ATOM 4762 H2 TIP3 785 5.814 -40.087 26.507 0.00 0.00 WAT1 ATOM 4763 OH2 TIP3 786 16.020 -38.821 24.851 0.00 0.00 WAT1 ATOM 4764 H1 TIP3 786 15.747 -39.246 24.038 0.00 0.00 WAT1 ATOM 4765 H2 TIP3 786 16.060 -37.890 24.634 0.00 0.00 WAT1 ATOM 4766 OH2 TIP3 787 6.528 -30.485 26.407 0.00 0.00 WAT1 ATOM 4767 H1 TIP3 787 7.461 -30.327 26.551 0.00 0.00 WAT1 ATOM 4768 H2 TIP3 787 6.264 -29.810 25.782 0.00 0.00 WAT1 ATOM 4769 OH2 TIP3 788 14.738 -45.350 24.709 0.00 0.00 WAT1 ATOM 4770 H1 TIP3 788 15.348 -45.722 25.346 0.00 0.00 WAT1 ATOM 4771 H2 TIP3 788 13.901 -45.772 24.905 0.00 0.00 WAT1 ATOM 4772 OH2 TIP3 789 -0.869 -46.460 29.379 0.00 0.00 WAT1 ATOM 4773 H1 TIP3 789 -1.794 -46.251 29.249 0.00 0.00 WAT1 ATOM 4774 H2 TIP3 789 -0.415 -45.976 28.689 0.00 0.00 WAT1 ATOM 4775 OH2 TIP3 790 0.408 -48.417 27.357 0.00 0.00 WAT1 ATOM 4776 H1 TIP3 790 0.847 -47.806 26.766 0.00 0.00 WAT1 ATOM 4777 H2 TIP3 790 -0.226 -47.879 27.831 0.00 0.00 WAT1 ATOM 4778 OH2 TIP3 791 13.061 -48.232 28.709 0.00 0.00 WAT1 ATOM 4779 H1 TIP3 791 12.358 -47.618 28.499 0.00 0.00 WAT1 ATOM 4780 H2 TIP3 791 12.616 -49.070 28.840 0.00 0.00 WAT1 ATOM 4781 OH2 TIP3 792 0.309 -32.469 28.255 0.00 0.00 WAT1 ATOM 4782 H1 TIP3 792 -0.376 -32.507 27.587 0.00 0.00 WAT1 ATOM 4783 H2 TIP3 792 0.312 -31.556 28.543 0.00 0.00 WAT1 ATOM 4784 OH2 TIP3 793 2.269 -46.501 25.800 0.00 0.00 WAT1 ATOM 4785 H1 TIP3 793 2.760 -47.131 25.272 0.00 0.00 WAT1 ATOM 4786 H2 TIP3 793 2.892 -46.205 26.463 0.00 0.00 WAT1 ATOM 4787 OH2 TIP3 794 7.295 -46.208 28.257 0.00 0.00 WAT1 ATOM 4788 H1 TIP3 794 7.473 -46.854 28.940 0.00 0.00 WAT1 ATOM 4789 H2 TIP3 794 7.241 -45.374 28.724 0.00 0.00 WAT1 ATOM 4790 OH2 TIP3 795 9.173 -31.259 26.652 0.00 0.00 WAT1 ATOM 4791 H1 TIP3 795 10.039 -30.893 26.474 0.00 0.00 WAT1 ATOM 4792 H2 TIP3 795 8.926 -31.699 25.839 0.00 0.00 WAT1 ATOM 4793 OH2 TIP3 796 2.127 -31.549 25.280 0.00 0.00 WAT1 ATOM 4794 H1 TIP3 796 1.859 -31.262 26.153 0.00 0.00 WAT1 ATOM 4795 H2 TIP3 796 2.898 -32.095 25.432 0.00 0.00 WAT1 ATOM 4796 OH2 TIP3 797 3.078 -27.102 -19.557 0.00 0.00 WAT1 ATOM 4797 H1 TIP3 797 2.859 -26.572 -20.323 0.00 0.00 WAT1 ATOM 4798 H2 TIP3 797 2.410 -26.875 -18.909 0.00 0.00 WAT1 ATOM 4799 OH2 TIP3 798 2.672 -25.210 -21.604 0.00 0.00 WAT1 ATOM 4800 H1 TIP3 798 3.285 -24.577 -21.231 0.00 0.00 WAT1 ATOM 4801 H2 TIP3 798 3.184 -25.682 -22.261 0.00 0.00 WAT1 ATOM 4802 OH2 TIP3 799 7.104 -29.796 -22.104 0.00 0.00 WAT1 ATOM 4803 H1 TIP3 799 6.987 -30.745 -22.158 0.00 0.00 WAT1 ATOM 4804 H2 TIP3 799 6.249 -29.464 -21.831 0.00 0.00 WAT1 ATOM 4805 OH2 TIP3 800 12.674 -22.575 -17.584 0.00 0.00 WAT1 ATOM 4806 H1 TIP3 800 12.754 -21.812 -17.012 0.00 0.00 WAT1 ATOM 4807 H2 TIP3 800 12.073 -22.296 -18.275 0.00 0.00 WAT1 ATOM 4808 OH2 TIP3 801 5.669 -16.951 -16.419 0.00 0.00 WAT1 ATOM 4809 H1 TIP3 801 5.357 -16.169 -15.963 0.00 0.00 WAT1 ATOM 4810 H2 TIP3 801 5.019 -17.104 -17.105 0.00 0.00 WAT1 ATOM 4811 OH2 TIP3 802 2.589 -20.753 -17.190 0.00 0.00 WAT1 ATOM 4812 H1 TIP3 802 2.659 -20.102 -16.492 0.00 0.00 WAT1 ATOM 4813 H2 TIP3 802 1.698 -20.650 -17.525 0.00 0.00 WAT1 ATOM 4814 OH2 TIP3 803 4.373 -28.893 -21.326 0.00 0.00 WAT1 ATOM 4815 H1 TIP3 803 3.512 -28.980 -21.734 0.00 0.00 WAT1 ATOM 4816 H2 TIP3 803 4.351 -28.037 -20.899 0.00 0.00 WAT1 ATOM 4817 OH2 TIP3 804 9.036 -29.171 -17.952 0.00 0.00 WAT1 ATOM 4818 H1 TIP3 804 9.456 -29.586 -17.199 0.00 0.00 WAT1 ATOM 4819 H2 TIP3 804 8.103 -29.349 -17.835 0.00 0.00 WAT1 ATOM 4820 OH2 TIP3 805 12.362 -25.415 -17.098 0.00 0.00 WAT1 ATOM 4821 H1 TIP3 805 11.848 -25.541 -16.301 0.00 0.00 WAT1 ATOM 4822 H2 TIP3 805 12.207 -24.503 -17.343 0.00 0.00 WAT1 ATOM 4823 OH2 TIP3 806 4.464 -23.927 -20.231 0.00 0.00 WAT1 ATOM 4824 H1 TIP3 806 3.822 -23.968 -19.522 0.00 0.00 WAT1 ATOM 4825 H2 TIP3 806 4.501 -23.001 -20.469 0.00 0.00 WAT1 ATOM 4826 OH2 TIP3 807 2.214 -23.607 -18.364 0.00 0.00 WAT1 ATOM 4827 H1 TIP3 807 2.176 -23.207 -17.496 0.00 0.00 WAT1 ATOM 4828 H2 TIP3 807 1.723 -24.424 -18.274 0.00 0.00 WAT1 ATOM 4829 OH2 TIP3 808 10.265 -22.206 -19.017 0.00 0.00 WAT1 ATOM 4830 H1 TIP3 808 10.589 -22.837 -19.660 0.00 0.00 WAT1 ATOM 4831 H2 TIP3 808 9.825 -22.741 -18.356 0.00 0.00 WAT1 ATOM 4832 OH2 TIP3 809 2.333 -18.898 -15.084 0.00 0.00 WAT1 ATOM 4833 H1 TIP3 809 3.066 -18.644 -14.523 0.00 0.00 WAT1 ATOM 4834 H2 TIP3 809 1.553 -18.694 -14.569 0.00 0.00 WAT1 ATOM 4835 OH2 TIP3 810 6.989 -25.103 -19.932 0.00 0.00 WAT1 ATOM 4836 H1 TIP3 810 6.154 -24.649 -19.822 0.00 0.00 WAT1 ATOM 4837 H2 TIP3 810 7.513 -24.827 -19.180 0.00 0.00 WAT1 ATOM 4838 OH2 TIP3 811 9.053 -18.706 -17.010 0.00 0.00 WAT1 ATOM 4839 H1 TIP3 811 8.707 -19.087 -16.204 0.00 0.00 WAT1 ATOM 4840 H2 TIP3 811 8.853 -17.772 -16.939 0.00 0.00 WAT1 ATOM 4841 OH2 TIP3 812 -0.334 -21.134 -17.163 0.00 0.00 WAT1 ATOM 4842 H1 TIP3 812 -0.111 -21.552 -16.331 0.00 0.00 WAT1 ATOM 4843 H2 TIP3 812 -0.936 -21.747 -17.585 0.00 0.00 WAT1 ATOM 4844 OH2 TIP3 813 1.300 -26.381 -17.605 0.00 0.00 WAT1 ATOM 4845 H1 TIP3 813 0.407 -26.042 -17.672 0.00 0.00 WAT1 ATOM 4846 H2 TIP3 813 1.201 -27.236 -17.187 0.00 0.00 WAT1 ATOM 4847 OH2 TIP3 814 10.035 -26.640 -18.715 0.00 0.00 WAT1 ATOM 4848 H1 TIP3 814 10.733 -26.566 -18.065 0.00 0.00 WAT1 ATOM 4849 H2 TIP3 814 9.654 -27.504 -18.560 0.00 0.00 WAT1 ATOM 4850 OH2 TIP3 815 8.555 -24.274 -17.598 0.00 0.00 WAT1 ATOM 4851 H1 TIP3 815 8.674 -23.700 -16.841 0.00 0.00 WAT1 ATOM 4852 H2 TIP3 815 9.210 -24.962 -17.483 0.00 0.00 WAT1 ATOM 4853 OH2 TIP3 816 1.943 -29.242 -22.308 0.00 0.00 WAT1 ATOM 4854 H1 TIP3 816 1.714 -29.183 -23.235 0.00 0.00 WAT1 ATOM 4855 H2 TIP3 816 1.500 -30.034 -22.001 0.00 0.00 WAT1 ATOM 4856 OH2 TIP3 817 4.759 -13.770 -13.197 0.00 0.00 WAT1 ATOM 4857 H1 TIP3 817 5.527 -14.229 -12.856 0.00 0.00 WAT1 ATOM 4858 H2 TIP3 817 4.738 -13.996 -14.127 0.00 0.00 WAT1 ATOM 4859 OH2 TIP3 818 0.069 -18.879 -13.863 0.00 0.00 WAT1 ATOM 4860 H1 TIP3 818 0.213 -19.781 -14.149 0.00 0.00 WAT1 ATOM 4861 H2 TIP3 818 -0.704 -18.593 -14.351 0.00 0.00 WAT1 ATOM 4862 OH2 TIP3 819 6.724 -18.909 -14.430 0.00 0.00 WAT1 ATOM 4863 H1 TIP3 819 6.396 -18.638 -15.288 0.00 0.00 WAT1 ATOM 4864 H2 TIP3 819 6.876 -19.850 -14.518 0.00 0.00 WAT1 ATOM 4865 OH2 TIP3 820 0.901 -21.679 -14.443 0.00 0.00 WAT1 ATOM 4866 H1 TIP3 820 1.309 -22.536 -14.564 0.00 0.00 WAT1 ATOM 4867 H2 TIP3 820 0.641 -21.664 -13.522 0.00 0.00 WAT1 ATOM 4868 OH2 TIP3 821 4.848 -22.670 -17.069 0.00 0.00 WAT1 ATOM 4869 H1 TIP3 821 4.230 -21.995 -16.788 0.00 0.00 WAT1 ATOM 4870 H2 TIP3 821 5.192 -22.349 -17.902 0.00 0.00 WAT1 ATOM 4871 OH2 TIP3 822 9.868 -20.199 -13.791 0.00 0.00 WAT1 ATOM 4872 H1 TIP3 822 10.821 -20.115 -13.819 0.00 0.00 WAT1 ATOM 4873 H2 TIP3 822 9.708 -20.910 -13.172 0.00 0.00 WAT1 ATOM 4874 OH2 TIP3 823 5.600 -26.945 -18.494 0.00 0.00 WAT1 ATOM 4875 H1 TIP3 823 6.136 -26.494 -19.146 0.00 0.00 WAT1 ATOM 4876 H2 TIP3 823 4.748 -27.053 -18.916 0.00 0.00 WAT1 ATOM 4877 OH2 TIP3 824 7.182 -21.506 -18.254 0.00 0.00 WAT1 ATOM 4878 H1 TIP3 824 7.933 -21.662 -18.827 0.00 0.00 WAT1 ATOM 4879 H2 TIP3 824 6.843 -20.654 -18.530 0.00 0.00 WAT1 ATOM 4880 OH2 TIP3 825 11.598 -23.691 -13.226 0.00 0.00 WAT1 ATOM 4881 H1 TIP3 825 11.790 -24.622 -13.337 0.00 0.00 WAT1 ATOM 4882 H2 TIP3 825 12.455 -23.266 -13.236 0.00 0.00 WAT1 ATOM 4883 OH2 TIP3 826 12.914 -20.902 -15.148 0.00 0.00 WAT1 ATOM 4884 H1 TIP3 826 12.633 -20.193 -15.726 0.00 0.00 WAT1 ATOM 4885 H2 TIP3 826 13.857 -20.975 -15.299 0.00 0.00 WAT1 ATOM 4886 OH2 TIP3 827 10.386 -26.040 -15.423 0.00 0.00 WAT1 ATOM 4887 H1 TIP3 827 9.438 -26.008 -15.291 0.00 0.00 WAT1 ATOM 4888 H2 TIP3 827 10.698 -26.665 -14.769 0.00 0.00 WAT1 ATOM 4889 OH2 TIP3 828 12.020 -27.406 -13.418 0.00 0.00 WAT1 ATOM 4890 H1 TIP3 828 11.923 -28.358 -13.424 0.00 0.00 WAT1 ATOM 4891 H2 TIP3 828 11.698 -27.137 -12.557 0.00 0.00 WAT1 ATOM 4892 OH2 TIP3 829 -0.707 -25.173 -15.204 0.00 0.00 WAT1 ATOM 4893 H1 TIP3 829 0.212 -25.295 -14.968 0.00 0.00 WAT1 ATOM 4894 H2 TIP3 829 -1.157 -25.923 -14.815 0.00 0.00 WAT1 ATOM 4895 OH2 TIP3 830 0.514 -26.861 -22.313 0.00 0.00 WAT1 ATOM 4896 H1 TIP3 830 0.959 -27.653 -22.011 0.00 0.00 WAT1 ATOM 4897 H2 TIP3 830 0.980 -26.145 -21.882 0.00 0.00 WAT1 ATOM 4898 OH2 TIP3 831 -0.905 -28.866 -18.845 0.00 0.00 WAT1 ATOM 4899 H1 TIP3 831 -1.570 -29.112 -18.202 0.00 0.00 WAT1 ATOM 4900 H2 TIP3 831 -1.348 -28.244 -19.422 0.00 0.00 WAT1 ATOM 4901 OH2 TIP3 832 1.287 -15.691 -14.701 0.00 0.00 WAT1 ATOM 4902 H1 TIP3 832 0.466 -15.516 -15.161 0.00 0.00 WAT1 ATOM 4903 H2 TIP3 832 1.035 -15.764 -13.780 0.00 0.00 WAT1 ATOM 4904 OH2 TIP3 833 1.571 -29.359 -25.014 0.00 0.00 WAT1 ATOM 4905 H1 TIP3 833 0.794 -29.593 -25.522 0.00 0.00 WAT1 ATOM 4906 H2 TIP3 833 2.102 -30.156 -25.006 0.00 0.00 WAT1 ATOM 4907 OH2 TIP3 834 11.924 -30.162 -13.779 0.00 0.00 WAT1 ATOM 4908 H1 TIP3 834 12.000 -30.588 -12.925 0.00 0.00 WAT1 ATOM 4909 H2 TIP3 834 12.817 -30.148 -14.121 0.00 0.00 WAT1 ATOM 4910 OH2 TIP3 835 10.650 -20.203 -6.200 0.00 0.00 WAT1 ATOM 4911 H1 TIP3 835 10.739 -19.259 -6.332 0.00 0.00 WAT1 ATOM 4912 H2 TIP3 835 10.011 -20.478 -6.858 0.00 0.00 WAT1 ATOM 4913 OH2 TIP3 836 13.289 -18.009 -4.479 0.00 0.00 WAT1 ATOM 4914 H1 TIP3 836 12.848 -18.729 -4.029 0.00 0.00 WAT1 ATOM 4915 H2 TIP3 836 13.276 -17.288 -3.849 0.00 0.00 WAT1 ATOM 4916 OH2 TIP3 837 7.972 -18.515 -2.375 0.00 0.00 WAT1 ATOM 4917 H1 TIP3 837 8.276 -19.201 -2.969 0.00 0.00 WAT1 ATOM 4918 H2 TIP3 837 8.694 -18.397 -1.757 0.00 0.00 WAT1 ATOM 4919 OH2 TIP3 838 10.447 -17.602 -7.157 0.00 0.00 WAT1 ATOM 4920 H1 TIP3 838 10.151 -17.924 -8.008 0.00 0.00 WAT1 ATOM 4921 H2 TIP3 838 10.123 -16.702 -7.115 0.00 0.00 WAT1 ATOM 4922 OH2 TIP3 839 13.801 -16.169 -2.131 0.00 0.00 WAT1 ATOM 4923 H1 TIP3 839 12.859 -16.111 -1.970 0.00 0.00 WAT1 ATOM 4924 H2 TIP3 839 14.077 -15.263 -2.268 0.00 0.00 WAT1 ATOM 4925 OH2 TIP3 840 12.053 -14.388 -5.506 0.00 0.00 WAT1 ATOM 4926 H1 TIP3 840 12.478 -15.095 -5.991 0.00 0.00 WAT1 ATOM 4927 H2 TIP3 840 12.370 -13.587 -5.923 0.00 0.00 WAT1 ATOM 4928 OH2 TIP3 841 13.212 -16.487 -6.997 0.00 0.00 WAT1 ATOM 4929 H1 TIP3 841 12.955 -17.177 -7.609 0.00 0.00 WAT1 ATOM 4930 H2 TIP3 841 13.283 -16.930 -6.152 0.00 0.00 WAT1 ATOM 4931 OH2 TIP3 842 9.371 -20.959 -8.748 0.00 0.00 WAT1 ATOM 4932 H1 TIP3 842 8.659 -20.424 -9.099 0.00 0.00 WAT1 ATOM 4933 H2 TIP3 842 10.062 -20.903 -9.408 0.00 0.00 WAT1 ATOM 4934 OH2 TIP3 843 12.777 -20.749 -7.796 0.00 0.00 WAT1 ATOM 4935 H1 TIP3 843 12.045 -20.521 -7.223 0.00 0.00 WAT1 ATOM 4936 H2 TIP3 843 13.224 -21.463 -7.341 0.00 0.00 WAT1 ATOM 4937 OH2 TIP3 844 11.098 -15.847 -1.546 0.00 0.00 WAT1 ATOM 4938 H1 TIP3 844 10.857 -15.185 -0.898 0.00 0.00 WAT1 ATOM 4939 H2 TIP3 844 10.900 -16.681 -1.121 0.00 0.00 WAT1 ATOM 4940 OH2 TIP3 845 11.648 -21.587 -10.111 0.00 0.00 WAT1 ATOM 4941 H1 TIP3 845 12.227 -21.437 -9.364 0.00 0.00 WAT1 ATOM 4942 H2 TIP3 845 12.062 -21.116 -10.834 0.00 0.00 WAT1 ATOM 4943 OH2 TIP3 846 15.346 -29.837 -10.298 0.00 0.00 WAT1 ATOM 4944 H1 TIP3 846 14.447 -29.698 -10.003 0.00 0.00 WAT1 ATOM 4945 H2 TIP3 846 15.598 -29.006 -10.700 0.00 0.00 WAT1 ATOM 4946 OH2 TIP3 847 -0.744 -15.906 -2.625 0.00 0.00 WAT1 ATOM 4947 H1 TIP3 847 0.202 -16.050 -2.644 0.00 0.00 WAT1 ATOM 4948 H2 TIP3 847 -0.857 -15.122 -2.088 0.00 0.00 WAT1 ATOM 4949 OH2 TIP3 848 17.453 -15.240 3.057 0.00 0.00 WAT1 ATOM 4950 H1 TIP3 848 17.404 -16.195 3.020 0.00 0.00 WAT1 ATOM 4951 H2 TIP3 848 16.627 -14.972 3.459 0.00 0.00 WAT1 ATOM 4952 OH2 TIP3 849 2.500 -13.105 -6.480 0.00 0.00 WAT1 ATOM 4953 H1 TIP3 849 2.652 -13.453 -5.601 0.00 0.00 WAT1 ATOM 4954 H2 TIP3 849 1.649 -13.461 -6.735 0.00 0.00 WAT1 ATOM 4955 OH2 TIP3 850 13.125 -20.554 -12.481 0.00 0.00 WAT1 ATOM 4956 H1 TIP3 850 13.167 -20.777 -13.411 0.00 0.00 WAT1 ATOM 4957 H2 TIP3 850 13.974 -20.156 -12.291 0.00 0.00 WAT1 ATOM 4958 OH2 TIP3 851 11.001 -23.844 -4.832 0.00 0.00 WAT1 ATOM 4959 H1 TIP3 851 10.806 -23.239 -5.547 0.00 0.00 WAT1 ATOM 4960 H2 TIP3 851 11.183 -24.678 -5.267 0.00 0.00 WAT1 ATOM 4961 OH2 TIP3 852 8.363 -23.491 -3.490 0.00 0.00 WAT1 ATOM 4962 H1 TIP3 852 8.927 -24.038 -4.037 0.00 0.00 WAT1 ATOM 4963 H2 TIP3 852 8.215 -24.013 -2.701 0.00 0.00 WAT1 ATOM 4964 OH2 TIP3 853 7.533 -18.890 -9.391 0.00 0.00 WAT1 ATOM 4965 H1 TIP3 853 6.789 -19.397 -9.714 0.00 0.00 WAT1 ATOM 4966 H2 TIP3 853 7.399 -18.841 -8.445 0.00 0.00 WAT1 ATOM 4967 OH2 TIP3 854 11.431 -26.076 -11.192 0.00 0.00 WAT1 ATOM 4968 H1 TIP3 854 10.493 -25.964 -11.343 0.00 0.00 WAT1 ATOM 4969 H2 TIP3 854 11.728 -25.219 -10.886 0.00 0.00 WAT1 ATOM 4970 OH2 TIP3 855 12.149 -24.209 -9.531 0.00 0.00 WAT1 ATOM 4971 H1 TIP3 855 13.041 -24.346 -9.212 0.00 0.00 WAT1 ATOM 4972 H2 TIP3 855 12.206 -23.418 -10.068 0.00 0.00 WAT1 ATOM 4973 OH2 TIP3 856 9.659 -17.431 -10.366 0.00 0.00 WAT1 ATOM 4974 H1 TIP3 856 9.364 -16.605 -9.984 0.00 0.00 WAT1 ATOM 4975 H2 TIP3 856 8.956 -18.051 -10.170 0.00 0.00 WAT1 ATOM 4976 OH2 TIP3 857 11.303 -16.244 1.796 0.00 0.00 WAT1 ATOM 4977 H1 TIP3 857 10.402 -16.061 1.528 0.00 0.00 WAT1 ATOM 4978 H2 TIP3 857 11.337 -15.985 2.717 0.00 0.00 WAT1 ATOM 4979 OH2 TIP3 858 16.998 -18.199 3.000 0.00 0.00 WAT1 ATOM 4980 H1 TIP3 858 16.146 -17.961 2.633 0.00 0.00 WAT1 ATOM 4981 H2 TIP3 858 17.588 -18.216 2.247 0.00 0.00 WAT1 ATOM 4982 OH2 TIP3 859 5.033 -16.077 -6.217 0.00 0.00 WAT1 ATOM 4983 H1 TIP3 859 5.560 -15.304 -6.418 0.00 0.00 WAT1 ATOM 4984 H2 TIP3 859 4.153 -15.852 -6.519 0.00 0.00 WAT1 ATOM 4985 OH2 TIP3 860 6.975 -14.265 -0.326 0.00 0.00 WAT1 ATOM 4986 H1 TIP3 860 7.338 -13.410 -0.559 0.00 0.00 WAT1 ATOM 4987 H2 TIP3 860 7.507 -14.557 0.415 0.00 0.00 WAT1 ATOM 4988 OH2 TIP3 861 5.144 -13.392 -7.096 0.00 0.00 WAT1 ATOM 4989 H1 TIP3 861 4.194 -13.287 -7.044 0.00 0.00 WAT1 ATOM 4990 H2 TIP3 861 5.495 -12.572 -6.751 0.00 0.00 WAT1 ATOM 4991 OH2 TIP3 862 13.178 -13.614 1.844 0.00 0.00 WAT1 ATOM 4992 H1 TIP3 862 12.576 -14.169 1.349 0.00 0.00 WAT1 ATOM 4993 H2 TIP3 862 13.459 -12.947 1.218 0.00 0.00 WAT1 ATOM 4994 OH2 TIP3 863 0.951 -14.576 -0.314 0.00 0.00 WAT1 ATOM 4995 H1 TIP3 863 1.168 -15.508 -0.345 0.00 0.00 WAT1 ATOM 4996 H2 TIP3 863 1.198 -14.302 0.570 0.00 0.00 WAT1 ATOM 4997 OH2 TIP3 864 6.813 -16.125 -13.104 0.00 0.00 WAT1 ATOM 4998 H1 TIP3 864 7.052 -16.873 -13.652 0.00 0.00 WAT1 ATOM 4999 H2 TIP3 864 6.544 -16.513 -12.272 0.00 0.00 WAT1 ATOM 5000 OH2 TIP3 865 5.750 -16.555 -10.648 0.00 0.00 WAT1 ATOM 5001 H1 TIP3 865 5.897 -17.075 -9.858 0.00 0.00 WAT1 ATOM 5002 H2 TIP3 865 5.747 -15.648 -10.342 0.00 0.00 WAT1 ATOM 5003 OH2 TIP3 866 5.826 -13.814 -9.917 0.00 0.00 WAT1 ATOM 5004 H1 TIP3 866 5.987 -13.014 -10.418 0.00 0.00 WAT1 ATOM 5005 H2 TIP3 866 5.629 -13.507 -9.032 0.00 0.00 WAT1 ATOM 5006 OH2 TIP3 867 14.448 -13.360 -2.189 0.00 0.00 WAT1 ATOM 5007 H1 TIP3 867 14.292 -12.682 -2.846 0.00 0.00 WAT1 ATOM 5008 H2 TIP3 867 15.380 -13.288 -1.986 0.00 0.00 WAT1 ATOM 5009 OH2 TIP3 868 11.336 -15.390 4.388 0.00 0.00 WAT1 ATOM 5010 H1 TIP3 868 10.985 -16.246 4.631 0.00 0.00 WAT1 ATOM 5011 H2 TIP3 868 12.062 -15.247 4.995 0.00 0.00 WAT1 ATOM 5012 OH2 TIP3 869 4.410 -18.535 -12.875 0.00 0.00 WAT1 ATOM 5013 H1 TIP3 869 4.474 -19.329 -12.344 0.00 0.00 WAT1 ATOM 5014 H2 TIP3 869 5.063 -18.654 -13.564 0.00 0.00 WAT1 ATOM 5015 OH2 TIP3 870 9.762 -17.488 -13.139 0.00 0.00 WAT1 ATOM 5016 H1 TIP3 870 9.494 -17.308 -12.238 0.00 0.00 WAT1 ATOM 5017 H2 TIP3 870 9.556 -18.414 -13.270 0.00 0.00 WAT1 ATOM 5018 OH2 TIP3 871 -1.255 -11.600 -6.745 0.00 0.00 WAT1 ATOM 5019 H1 TIP3 871 -1.902 -12.062 -7.278 0.00 0.00 WAT1 ATOM 5020 H2 TIP3 871 -0.900 -12.272 -6.162 0.00 0.00 WAT1 ATOM 5021 OH2 TIP3 872 -0.385 -13.519 -4.940 0.00 0.00 WAT1 ATOM 5022 H1 TIP3 872 -0.719 -14.400 -4.768 0.00 0.00 WAT1 ATOM 5023 H2 TIP3 872 -0.163 -13.174 -4.076 0.00 0.00 WAT1 ATOM 5024 OH2 TIP3 873 15.178 -17.353 5.600 0.00 0.00 WAT1 ATOM 5025 H1 TIP3 873 14.312 -17.458 5.994 0.00 0.00 WAT1 ATOM 5026 H2 TIP3 873 15.554 -16.594 6.047 0.00 0.00 WAT1 ATOM 5027 OH2 TIP3 874 16.873 -21.043 -7.062 0.00 0.00 WAT1 ATOM 5028 H1 TIP3 874 16.147 -21.522 -6.664 0.00 0.00 WAT1 ATOM 5029 H2 TIP3 874 17.454 -20.837 -6.330 0.00 0.00 WAT1 ATOM 5030 OH2 TIP3 875 16.632 -18.258 -2.114 0.00 0.00 WAT1 ATOM 5031 H1 TIP3 875 17.466 -18.636 -2.395 0.00 0.00 WAT1 ATOM 5032 H2 TIP3 875 16.744 -17.315 -2.233 0.00 0.00 WAT1 ATOM 5033 OH2 TIP3 876 15.119 -15.380 0.193 0.00 0.00 WAT1 ATOM 5034 H1 TIP3 876 14.471 -15.055 0.818 0.00 0.00 WAT1 ATOM 5035 H2 TIP3 876 14.601 -15.820 -0.482 0.00 0.00 WAT1 ATOM 5036 OH2 TIP3 877 14.660 -22.522 -6.499 0.00 0.00 WAT1 ATOM 5037 H1 TIP3 877 14.510 -23.467 -6.519 0.00 0.00 WAT1 ATOM 5038 H2 TIP3 877 14.306 -22.241 -5.655 0.00 0.00 WAT1 ATOM 5039 OH2 TIP3 878 14.738 -26.494 -13.003 0.00 0.00 WAT1 ATOM 5040 H1 TIP3 878 15.348 -26.866 -12.366 0.00 0.00 WAT1 ATOM 5041 H2 TIP3 878 13.901 -26.916 -12.807 0.00 0.00 WAT1 ATOM 5042 OH2 TIP3 879 14.370 -24.939 -8.037 0.00 0.00 WAT1 ATOM 5043 H1 TIP3 879 14.650 -25.846 -7.912 0.00 0.00 WAT1 ATOM 5044 H2 TIP3 879 15.129 -24.505 -8.426 0.00 0.00 WAT1 ATOM 5045 OH2 TIP3 880 14.984 -27.676 -7.988 0.00 0.00 WAT1 ATOM 5046 H1 TIP3 880 15.166 -28.125 -7.163 0.00 0.00 WAT1 ATOM 5047 H2 TIP3 880 14.384 -28.261 -8.452 0.00 0.00 WAT1 ATOM 5048 OH2 TIP3 881 16.850 -27.609 -11.460 0.00 0.00 WAT1 ATOM 5049 H1 TIP3 881 17.263 -28.330 -11.936 0.00 0.00 WAT1 ATOM 5050 H2 TIP3 881 17.532 -26.939 -11.402 0.00 0.00 WAT1 ATOM 5051 OH2 TIP3 882 4.241 -14.716 0.414 0.00 0.00 WAT1 ATOM 5052 H1 TIP3 882 3.816 -13.907 0.131 0.00 0.00 WAT1 ATOM 5053 H2 TIP3 882 5.146 -14.631 0.112 0.00 0.00 WAT1 ATOM 5054 OH2 TIP3 883 10.897 -12.032 2.617 0.00 0.00 WAT1 ATOM 5055 H1 TIP3 883 11.574 -12.664 2.377 0.00 0.00 WAT1 ATOM 5056 H2 TIP3 883 11.219 -11.630 3.425 0.00 0.00 WAT1 ATOM 5057 OH2 TIP3 884 1.643 -11.460 0.461 0.00 0.00 WAT1 ATOM 5058 H1 TIP3 884 0.923 -11.020 0.010 0.00 0.00 WAT1 ATOM 5059 H2 TIP3 884 1.277 -11.711 1.310 0.00 0.00 WAT1 ATOM 5060 OH2 TIP3 885 4.110 -11.860 -0.509 0.00 0.00 WAT1 ATOM 5061 H1 TIP3 885 3.245 -11.788 -0.105 0.00 0.00 WAT1 ATOM 5062 H2 TIP3 885 4.055 -11.313 -1.293 0.00 0.00 WAT1 ATOM 5063 OH2 TIP3 886 8.821 -11.972 -1.333 0.00 0.00 WAT1 ATOM 5064 H1 TIP3 886 8.364 -11.443 -1.987 0.00 0.00 WAT1 ATOM 5065 H2 TIP3 886 8.984 -11.369 -0.608 0.00 0.00 WAT1 ATOM 5066 OH2 TIP3 887 11.148 -13.094 -0.388 0.00 0.00 WAT1 ATOM 5067 H1 TIP3 887 10.244 -12.929 -0.654 0.00 0.00 WAT1 ATOM 5068 H2 TIP3 887 11.577 -12.241 -0.454 0.00 0.00 WAT1 ATOM 5069 OH2 TIP3 888 1.058 -12.837 -2.628 0.00 0.00 WAT1 ATOM 5070 H1 TIP3 888 1.039 -13.262 -1.771 0.00 0.00 WAT1 ATOM 5071 H2 TIP3 888 1.863 -13.155 -3.037 0.00 0.00 WAT1 ATOM 5072 OH2 TIP3 889 3.199 -14.127 -3.973 0.00 0.00 WAT1 ATOM 5073 H1 TIP3 889 2.980 -15.043 -3.804 0.00 0.00 WAT1 ATOM 5074 H2 TIP3 889 4.023 -13.987 -3.507 0.00 0.00 WAT1 ATOM 5075 OH2 TIP3 890 5.736 -13.657 -3.125 0.00 0.00 WAT1 ATOM 5076 H1 TIP3 890 5.949 -14.545 -3.412 0.00 0.00 WAT1 ATOM 5077 H2 TIP3 890 5.801 -13.691 -2.170 0.00 0.00 WAT1 ATOM 5078 OH2 TIP3 891 16.114 -28.747 -5.534 0.00 0.00 WAT1 ATOM 5079 H1 TIP3 891 16.726 -29.261 -6.061 0.00 0.00 WAT1 ATOM 5080 H2 TIP3 891 16.497 -27.869 -5.511 0.00 0.00 WAT1 ATOM 5081 OH2 TIP3 892 0.309 -13.613 -9.457 0.00 0.00 WAT1 ATOM 5082 H1 TIP3 892 -0.376 -13.651 -10.125 0.00 0.00 WAT1 ATOM 5083 H2 TIP3 892 0.312 -12.700 -9.169 0.00 0.00 WAT1 ATOM 5084 OH2 TIP3 893 2.127 -12.693 -12.432 0.00 0.00 WAT1 ATOM 5085 H1 TIP3 893 1.859 -12.406 -11.559 0.00 0.00 WAT1 ATOM 5086 H2 TIP3 893 2.898 -13.239 -12.280 0.00 0.00 WAT1 ATOM 5087 OH2 TIP3 894 10.400 -12.904 14.589 0.00 0.00 WAT1 ATOM 5088 H1 TIP3 894 11.020 -13.581 14.316 0.00 0.00 WAT1 ATOM 5089 H2 TIP3 894 10.192 -13.122 15.497 0.00 0.00 WAT1 ATOM 5090 OH2 TIP3 895 17.027 -25.436 19.578 0.00 0.00 WAT1 ATOM 5091 H1 TIP3 895 16.338 -24.778 19.483 0.00 0.00 WAT1 ATOM 5092 H2 TIP3 895 17.042 -25.633 20.515 0.00 0.00 WAT1 ATOM 5093 OH2 TIP3 896 13.801 -16.169 16.725 0.00 0.00 WAT1 ATOM 5094 H1 TIP3 896 12.859 -16.111 16.886 0.00 0.00 WAT1 ATOM 5095 H2 TIP3 896 14.077 -15.263 16.588 0.00 0.00 WAT1 ATOM 5096 OH2 TIP3 897 12.053 -14.388 13.350 0.00 0.00 WAT1 ATOM 5097 H1 TIP3 897 12.478 -15.095 12.865 0.00 0.00 WAT1 ATOM 5098 H2 TIP3 897 12.370 -13.587 12.933 0.00 0.00 WAT1 ATOM 5099 OH2 TIP3 898 13.212 -16.487 11.859 0.00 0.00 WAT1 ATOM 5100 H1 TIP3 898 12.955 -17.177 11.247 0.00 0.00 WAT1 ATOM 5101 H2 TIP3 898 13.283 -16.930 12.704 0.00 0.00 WAT1 ATOM 5102 OH2 TIP3 899 14.898 -17.921 20.336 0.00 0.00 WAT1 ATOM 5103 H1 TIP3 899 15.038 -18.512 19.597 0.00 0.00 WAT1 ATOM 5104 H2 TIP3 899 15.066 -17.048 19.980 0.00 0.00 WAT1 ATOM 5105 OH2 TIP3 900 16.740 -21.581 18.402 0.00 0.00 WAT1 ATOM 5106 H1 TIP3 900 16.088 -20.886 18.491 0.00 0.00 WAT1 ATOM 5107 H2 TIP3 900 17.205 -21.371 17.592 0.00 0.00 WAT1 ATOM 5108 OH2 TIP3 901 12.674 -22.575 20.128 0.00 0.00 WAT1 ATOM 5109 H1 TIP3 901 12.754 -21.812 20.700 0.00 0.00 WAT1 ATOM 5110 H2 TIP3 901 12.073 -22.296 19.437 0.00 0.00 WAT1 ATOM 5111 OH2 TIP3 902 4.422 -20.119 12.943 0.00 0.00 WAT1 ATOM 5112 H1 TIP3 902 4.092 -20.489 12.124 0.00 0.00 WAT1 ATOM 5113 H2 TIP3 902 5.010 -20.789 13.289 0.00 0.00 WAT1 ATOM 5114 OH2 TIP3 903 5.789 -16.691 15.624 0.00 0.00 WAT1 ATOM 5115 H1 TIP3 903 5.694 -17.269 14.867 0.00 0.00 WAT1 ATOM 5116 H2 TIP3 903 6.518 -17.062 16.120 0.00 0.00 WAT1 ATOM 5117 OH2 TIP3 904 11.098 -15.847 17.310 0.00 0.00 WAT1 ATOM 5118 H1 TIP3 904 10.857 -15.185 17.958 0.00 0.00 WAT1 ATOM 5119 H2 TIP3 904 10.900 -16.681 17.735 0.00 0.00 WAT1 ATOM 5120 OH2 TIP3 905 5.669 -16.951 21.293 0.00 0.00 WAT1 ATOM 5121 H1 TIP3 905 5.357 -16.169 21.749 0.00 0.00 WAT1 ATOM 5122 H2 TIP3 905 5.019 -17.104 20.607 0.00 0.00 WAT1 ATOM 5123 OH2 TIP3 906 9.374 -14.850 12.180 0.00 0.00 WAT1 ATOM 5124 H1 TIP3 906 9.848 -14.555 12.958 0.00 0.00 WAT1 ATOM 5125 H2 TIP3 906 8.811 -14.112 11.947 0.00 0.00 WAT1 ATOM 5126 OH2 TIP3 907 3.908 -14.879 22.057 0.00 0.00 WAT1 ATOM 5127 H1 TIP3 907 3.916 -15.015 21.109 0.00 0.00 WAT1 ATOM 5128 H2 TIP3 907 2.992 -14.997 22.309 0.00 0.00 WAT1 ATOM 5129 OH2 TIP3 908 16.536 -15.471 6.935 0.00 0.00 WAT1 ATOM 5130 H1 TIP3 908 16.609 -14.532 7.105 0.00 0.00 WAT1 ATOM 5131 H2 TIP3 908 17.441 -15.776 6.878 0.00 0.00 WAT1 ATOM 5132 OH2 TIP3 909 8.432 -15.666 20.789 0.00 0.00 WAT1 ATOM 5133 H1 TIP3 909 8.519 -14.840 21.264 0.00 0.00 WAT1 ATOM 5134 H2 TIP3 909 7.568 -15.996 21.038 0.00 0.00 WAT1 ATOM 5135 OH2 TIP3 910 8.846 -11.894 10.595 0.00 0.00 WAT1 ATOM 5136 H1 TIP3 910 8.771 -12.015 9.649 0.00 0.00 WAT1 ATOM 5137 H2 TIP3 910 8.879 -10.944 10.714 0.00 0.00 WAT1 ATOM 5138 OH2 TIP3 911 11.948 -12.740 7.598 0.00 0.00 WAT1 ATOM 5139 H1 TIP3 911 12.323 -13.484 7.127 0.00 0.00 WAT1 ATOM 5140 H2 TIP3 911 11.952 -13.010 8.516 0.00 0.00 WAT1 ATOM 5141 OH2 TIP3 912 11.617 -12.814 10.347 0.00 0.00 WAT1 ATOM 5142 H1 TIP3 912 10.682 -12.714 10.526 0.00 0.00 WAT1 ATOM 5143 H2 TIP3 912 11.897 -13.523 10.925 0.00 0.00 WAT1 ATOM 5144 OH2 TIP3 913 14.605 -23.747 22.393 0.00 0.00 WAT1 ATOM 5145 H1 TIP3 913 14.198 -23.266 21.673 0.00 0.00 WAT1 ATOM 5146 H2 TIP3 913 14.646 -24.652 22.086 0.00 0.00 WAT1 ATOM 5147 OH2 TIP3 914 12.362 -25.415 20.614 0.00 0.00 WAT1 ATOM 5148 H1 TIP3 914 11.848 -25.541 21.411 0.00 0.00 WAT1 ATOM 5149 H2 TIP3 914 12.207 -24.503 20.369 0.00 0.00 WAT1 ATOM 5150 OH2 TIP3 915 9.099 -23.115 22.698 0.00 0.00 WAT1 ATOM 5151 H1 TIP3 915 8.536 -23.819 23.018 0.00 0.00 WAT1 ATOM 5152 H2 TIP3 915 9.925 -23.235 23.165 0.00 0.00 WAT1 ATOM 5153 OH2 TIP3 916 10.265 -22.206 18.695 0.00 0.00 WAT1 ATOM 5154 H1 TIP3 916 10.589 -22.837 18.052 0.00 0.00 WAT1 ATOM 5155 H2 TIP3 916 9.825 -22.741 19.356 0.00 0.00 WAT1 ATOM 5156 OH2 TIP3 917 14.683 -19.757 18.251 0.00 0.00 WAT1 ATOM 5157 H1 TIP3 917 15.325 -19.300 17.708 0.00 0.00 WAT1 ATOM 5158 H2 TIP3 917 13.853 -19.644 17.789 0.00 0.00 WAT1 ATOM 5159 OH2 TIP3 918 9.053 -18.706 20.702 0.00 0.00 WAT1 ATOM 5160 H1 TIP3 918 8.707 -19.087 21.508 0.00 0.00 WAT1 ATOM 5161 H2 TIP3 918 8.853 -17.772 20.773 0.00 0.00 WAT1 ATOM 5162 OH2 TIP3 919 15.330 -15.213 9.484 0.00 0.00 WAT1 ATOM 5163 H1 TIP3 919 14.957 -16.039 9.794 0.00 0.00 WAT1 ATOM 5164 H2 TIP3 919 15.607 -15.396 8.587 0.00 0.00 WAT1 ATOM 5165 OH2 TIP3 920 12.490 -20.405 16.506 0.00 0.00 WAT1 ATOM 5166 H1 TIP3 920 11.562 -20.637 16.479 0.00 0.00 WAT1 ATOM 5167 H2 TIP3 920 12.941 -21.182 16.176 0.00 0.00 WAT1 ATOM 5168 OH2 TIP3 921 5.033 -16.077 12.639 0.00 0.00 WAT1 ATOM 5169 H1 TIP3 921 5.560 -15.304 12.438 0.00 0.00 WAT1 ATOM 5170 H2 TIP3 921 4.153 -15.852 12.337 0.00 0.00 WAT1 ATOM 5171 OH2 TIP3 922 6.975 -14.265 18.530 0.00 0.00 WAT1 ATOM 5172 H1 TIP3 922 7.338 -13.410 18.297 0.00 0.00 WAT1 ATOM 5173 H2 TIP3 922 7.507 -14.557 19.271 0.00 0.00 WAT1 ATOM 5174 OH2 TIP3 923 5.144 -13.392 11.760 0.00 0.00 WAT1 ATOM 5175 H1 TIP3 923 4.194 -13.287 11.812 0.00 0.00 WAT1 ATOM 5176 H2 TIP3 923 5.495 -12.572 12.105 0.00 0.00 WAT1 ATOM 5177 OH2 TIP3 924 10.519 -18.166 18.231 0.00 0.00 WAT1 ATOM 5178 H1 TIP3 924 10.093 -18.393 19.057 0.00 0.00 WAT1 ATOM 5179 H2 TIP3 924 11.100 -18.904 18.048 0.00 0.00 WAT1 ATOM 5180 OH2 TIP3 925 12.722 -17.237 7.305 0.00 0.00 WAT1 ATOM 5181 H1 TIP3 925 13.075 -17.617 8.109 0.00 0.00 WAT1 ATOM 5182 H2 TIP3 925 11.773 -17.330 7.391 0.00 0.00 WAT1 ATOM 5183 OH2 TIP3 926 4.759 -13.770 24.515 0.00 0.00 WAT1 ATOM 5184 H1 TIP3 926 5.527 -14.229 24.856 0.00 0.00 WAT1 ATOM 5185 H2 TIP3 926 4.738 -13.996 23.585 0.00 0.00 WAT1 ATOM 5186 OH2 TIP3 927 13.455 -14.445 6.124 0.00 0.00 WAT1 ATOM 5187 H1 TIP3 927 13.738 -15.239 6.577 0.00 0.00 WAT1 ATOM 5188 H2 TIP3 927 14.195 -14.212 5.563 0.00 0.00 WAT1 ATOM 5189 OH2 TIP3 928 0.069 -18.879 23.849 0.00 0.00 WAT1 ATOM 5190 H1 TIP3 928 0.213 -19.781 23.563 0.00 0.00 WAT1 ATOM 5191 H2 TIP3 928 -0.704 -18.593 23.361 0.00 0.00 WAT1 ATOM 5192 OH2 TIP3 929 6.724 -18.909 23.282 0.00 0.00 WAT1 ATOM 5193 H1 TIP3 929 6.396 -18.638 22.424 0.00 0.00 WAT1 ATOM 5194 H2 TIP3 929 6.876 -19.850 23.194 0.00 0.00 WAT1 ATOM 5195 OH2 TIP3 930 12.459 -18.993 20.665 0.00 0.00 WAT1 ATOM 5196 H1 TIP3 930 13.204 -18.405 20.545 0.00 0.00 WAT1 ATOM 5197 H2 TIP3 930 11.702 -18.411 20.728 0.00 0.00 WAT1 ATOM 5198 OH2 TIP3 931 0.901 -21.679 23.269 0.00 0.00 WAT1 ATOM 5199 H1 TIP3 931 1.309 -22.536 23.148 0.00 0.00 WAT1 ATOM 5200 H2 TIP3 931 0.641 -21.664 24.190 0.00 0.00 WAT1 ATOM 5201 OH2 TIP3 932 9.868 -20.199 23.921 0.00 0.00 WAT1 ATOM 5202 H1 TIP3 932 10.821 -20.115 23.893 0.00 0.00 WAT1 ATOM 5203 H2 TIP3 932 9.708 -20.910 24.540 0.00 0.00 WAT1 ATOM 5204 OH2 TIP3 933 11.598 -23.691 24.486 0.00 0.00 WAT1 ATOM 5205 H1 TIP3 933 11.790 -24.622 24.375 0.00 0.00 WAT1 ATOM 5206 H2 TIP3 933 12.455 -23.266 24.476 0.00 0.00 WAT1 ATOM 5207 OH2 TIP3 934 7.670 -25.167 23.213 0.00 0.00 WAT1 ATOM 5208 H1 TIP3 934 7.434 -25.387 24.115 0.00 0.00 WAT1 ATOM 5209 H2 TIP3 934 6.887 -25.374 22.704 0.00 0.00 WAT1 ATOM 5210 OH2 TIP3 935 10.386 -26.040 22.289 0.00 0.00 WAT1 ATOM 5211 H1 TIP3 935 9.438 -26.008 22.421 0.00 0.00 WAT1 ATOM 5212 H2 TIP3 935 10.698 -26.665 22.943 0.00 0.00 WAT1 ATOM 5213 OH2 TIP3 936 6.981 -28.512 24.375 0.00 0.00 WAT1 ATOM 5214 H1 TIP3 936 6.850 -28.988 23.554 0.00 0.00 WAT1 ATOM 5215 H2 TIP3 936 6.382 -27.768 24.319 0.00 0.00 WAT1 ATOM 5216 OH2 TIP3 937 16.632 -18.258 16.742 0.00 0.00 WAT1 ATOM 5217 H1 TIP3 937 17.466 -18.636 16.461 0.00 0.00 WAT1 ATOM 5218 H2 TIP3 937 16.744 -17.315 16.623 0.00 0.00 WAT1 ATOM 5219 OH2 TIP3 938 17.013 -22.649 22.680 0.00 0.00 WAT1 ATOM 5220 H1 TIP3 938 16.150 -23.028 22.515 0.00 0.00 WAT1 ATOM 5221 H2 TIP3 938 17.617 -23.388 22.606 0.00 0.00 WAT1 ATOM 5222 OH2 TIP3 939 15.011 -23.621 19.031 0.00 0.00 WAT1 ATOM 5223 H1 TIP3 939 14.168 -23.353 19.397 0.00 0.00 WAT1 ATOM 5224 H2 TIP3 939 15.454 -22.799 18.820 0.00 0.00 WAT1 ATOM 5225 OH2 TIP3 940 17.294 -29.641 24.385 0.00 0.00 WAT1 ATOM 5226 H1 TIP3 940 17.644 -30.295 23.779 0.00 0.00 WAT1 ATOM 5227 H2 TIP3 940 17.441 -28.804 23.945 0.00 0.00 WAT1 ATOM 5228 OH2 TIP3 941 16.814 -27.532 22.734 0.00 0.00 WAT1 ATOM 5229 H1 TIP3 941 15.897 -27.261 22.698 0.00 0.00 WAT1 ATOM 5230 H2 TIP3 941 16.937 -28.067 21.950 0.00 0.00 WAT1 ATOM 5231 OH2 TIP3 942 13.902 -12.620 12.468 0.00 0.00 WAT1 ATOM 5232 H1 TIP3 942 14.555 -12.967 11.860 0.00 0.00 WAT1 ATOM 5233 H2 TIP3 942 14.413 -12.131 13.114 0.00 0.00 WAT1 ATOM 5234 OH2 TIP3 943 1.287 -15.691 23.011 0.00 0.00 WAT1 ATOM 5235 H1 TIP3 943 0.466 -15.516 22.551 0.00 0.00 WAT1 ATOM 5236 H2 TIP3 943 1.035 -15.764 23.932 0.00 0.00 WAT1 ATOM 5237 OH2 TIP3 944 4.241 -14.716 19.270 0.00 0.00 WAT1 ATOM 5238 H1 TIP3 944 3.816 -13.907 18.987 0.00 0.00 WAT1 ATOM 5239 H2 TIP3 944 5.146 -14.631 18.968 0.00 0.00 WAT1 ATOM 5240 OH2 TIP3 945 8.821 -11.972 17.523 0.00 0.00 WAT1 ATOM 5241 H1 TIP3 945 8.364 -11.443 16.869 0.00 0.00 WAT1 ATOM 5242 H2 TIP3 945 8.984 -11.369 18.248 0.00 0.00 WAT1 ATOM 5243 OH2 TIP3 946 5.736 -13.657 15.731 0.00 0.00 WAT1 ATOM 5244 H1 TIP3 946 5.949 -14.545 15.444 0.00 0.00 WAT1 ATOM 5245 H2 TIP3 946 5.801 -13.691 16.686 0.00 0.00 WAT1 ATOM 5246 OH2 TIP3 947 15.882 -12.840 10.476 0.00 0.00 WAT1 ATOM 5247 H1 TIP3 947 15.688 -13.588 9.911 0.00 0.00 WAT1 ATOM 5248 H2 TIP3 947 15.843 -12.082 9.892 0.00 0.00 WAT1 ATOM 5249 OH2 TIP3 948 0.176 -17.791 28.868 0.00 0.00 WAT1 ATOM 5250 H1 TIP3 948 -0.096 -17.562 27.979 0.00 0.00 WAT1 ATOM 5251 H2 TIP3 948 0.221 -16.953 29.328 0.00 0.00 WAT1 ATOM 5252 OH2 TIP3 949 9.425 -22.501 26.003 0.00 0.00 WAT1 ATOM 5253 H1 TIP3 949 10.126 -22.479 26.654 0.00 0.00 WAT1 ATOM 5254 H2 TIP3 949 9.727 -23.129 25.347 0.00 0.00 WAT1 ATOM 5255 OH2 TIP3 950 15.346 -29.837 27.414 0.00 0.00 WAT1 ATOM 5256 H1 TIP3 950 14.447 -29.698 27.709 0.00 0.00 WAT1 ATOM 5257 H2 TIP3 950 15.598 -29.006 27.012 0.00 0.00 WAT1 ATOM 5258 OH2 TIP3 951 8.698 -26.678 25.901 0.00 0.00 WAT1 ATOM 5259 H1 TIP3 951 8.444 -26.659 26.824 0.00 0.00 WAT1 ATOM 5260 H2 TIP3 951 8.441 -27.550 25.600 0.00 0.00 WAT1 ATOM 5261 OH2 TIP3 952 5.580 -26.233 25.002 0.00 0.00 WAT1 ATOM 5262 H1 TIP3 952 5.149 -26.678 25.732 0.00 0.00 WAT1 ATOM 5263 H2 TIP3 952 4.862 -25.861 24.490 0.00 0.00 WAT1 ATOM 5264 OH2 TIP3 953 0.097 -25.745 27.478 0.00 0.00 WAT1 ATOM 5265 H1 TIP3 953 0.571 -25.154 26.893 0.00 0.00 WAT1 ATOM 5266 H2 TIP3 953 -0.621 -25.214 27.825 0.00 0.00 WAT1 ATOM 5267 OH2 TIP3 954 4.198 -23.455 26.385 0.00 0.00 WAT1 ATOM 5268 H1 TIP3 954 3.656 -23.835 25.694 0.00 0.00 WAT1 ATOM 5269 H2 TIP3 954 5.032 -23.261 25.956 0.00 0.00 WAT1 ATOM 5270 OH2 TIP3 955 11.431 -26.076 26.520 0.00 0.00 WAT1 ATOM 5271 H1 TIP3 955 10.493 -25.964 26.369 0.00 0.00 WAT1 ATOM 5272 H2 TIP3 955 11.728 -25.219 26.826 0.00 0.00 WAT1 ATOM 5273 OH2 TIP3 956 0.788 -21.215 26.082 0.00 0.00 WAT1 ATOM 5274 H1 TIP3 956 1.404 -20.588 26.461 0.00 0.00 WAT1 ATOM 5275 H2 TIP3 956 -0.074 -20.899 26.353 0.00 0.00 WAT1 ATOM 5276 OH2 TIP3 957 10.819 -26.988 28.950 0.00 0.00 WAT1 ATOM 5277 H1 TIP3 957 11.039 -26.516 28.147 0.00 0.00 WAT1 ATOM 5278 H2 TIP3 957 11.377 -26.593 29.621 0.00 0.00 WAT1 ATOM 5279 OH2 TIP3 958 4.560 -27.116 27.411 0.00 0.00 WAT1 ATOM 5280 H1 TIP3 958 4.477 -26.227 27.757 0.00 0.00 WAT1 ATOM 5281 H2 TIP3 958 5.450 -27.381 27.642 0.00 0.00 WAT1 ATOM 5282 OH2 TIP3 959 1.135 -24.024 25.587 0.00 0.00 WAT1 ATOM 5283 H1 TIP3 959 1.090 -23.085 25.766 0.00 0.00 WAT1 ATOM 5284 H2 TIP3 959 0.247 -24.260 25.317 0.00 0.00 WAT1 ATOM 5285 OH2 TIP3 960 4.410 -18.535 24.837 0.00 0.00 WAT1 ATOM 5286 H1 TIP3 960 4.474 -19.329 25.368 0.00 0.00 WAT1 ATOM 5287 H2 TIP3 960 5.063 -18.654 24.148 0.00 0.00 WAT1 ATOM 5288 OH2 TIP3 961 5.559 -20.563 27.143 0.00 0.00 WAT1 ATOM 5289 H1 TIP3 961 5.100 -21.047 27.829 0.00 0.00 WAT1 ATOM 5290 H2 TIP3 961 5.814 -21.231 26.507 0.00 0.00 WAT1 ATOM 5291 OH2 TIP3 962 6.630 -22.320 25.406 0.00 0.00 WAT1 ATOM 5292 H1 TIP3 962 6.450 -22.474 24.478 0.00 0.00 WAT1 ATOM 5293 H2 TIP3 962 7.581 -22.212 25.450 0.00 0.00 WAT1 ATOM 5294 OH2 TIP3 963 0.096 -16.993 25.890 0.00 0.00 WAT1 ATOM 5295 H1 TIP3 963 1.010 -16.914 26.163 0.00 0.00 WAT1 ATOM 5296 H2 TIP3 963 0.103 -17.680 25.223 0.00 0.00 WAT1 ATOM 5297 OH2 TIP3 964 15.490 -23.902 25.592 0.00 0.00 WAT1 ATOM 5298 H1 TIP3 964 15.587 -23.235 24.912 0.00 0.00 WAT1 ATOM 5299 H2 TIP3 964 15.350 -24.718 25.110 0.00 0.00 WAT1 ATOM 5300 OH2 TIP3 965 14.738 -26.494 24.709 0.00 0.00 WAT1 ATOM 5301 H1 TIP3 965 15.348 -26.866 25.346 0.00 0.00 WAT1 ATOM 5302 H2 TIP3 965 13.901 -26.916 24.905 0.00 0.00 WAT1 ATOM 5303 OH2 TIP3 966 16.850 -27.609 26.252 0.00 0.00 WAT1 ATOM 5304 H1 TIP3 966 17.263 -28.330 25.776 0.00 0.00 WAT1 ATOM 5305 H2 TIP3 966 17.532 -26.939 26.310 0.00 0.00 WAT1 ATOM 5306 OH2 TIP3 967 -0.869 -27.604 29.379 0.00 0.00 WAT1 ATOM 5307 H1 TIP3 967 -1.794 -27.395 29.249 0.00 0.00 WAT1 ATOM 5308 H2 TIP3 967 -0.415 -27.120 28.689 0.00 0.00 WAT1 ATOM 5309 OH2 TIP3 968 0.408 -29.561 27.357 0.00 0.00 WAT1 ATOM 5310 H1 TIP3 968 0.847 -28.950 26.766 0.00 0.00 WAT1 ATOM 5311 H2 TIP3 968 -0.226 -29.023 27.831 0.00 0.00 WAT1 ATOM 5312 OH2 TIP3 969 13.061 -29.376 28.709 0.00 0.00 WAT1 ATOM 5313 H1 TIP3 969 12.358 -28.762 28.499 0.00 0.00 WAT1 ATOM 5314 H2 TIP3 969 12.616 -30.214 28.840 0.00 0.00 WAT1 ATOM 5315 OH2 TIP3 970 2.269 -27.645 25.800 0.00 0.00 WAT1 ATOM 5316 H1 TIP3 970 2.760 -28.275 25.272 0.00 0.00 WAT1 ATOM 5317 H2 TIP3 970 2.892 -27.349 26.463 0.00 0.00 WAT1 ATOM 5318 OH2 TIP3 971 2.127 -12.693 25.280 0.00 0.00 WAT1 ATOM 5319 H1 TIP3 971 1.859 -12.406 26.153 0.00 0.00 WAT1 ATOM 5320 H2 TIP3 971 2.898 -13.239 25.432 0.00 0.00 WAT1 ATOM 5321 OH2 TIP3 972 9.036 -10.315 0.904 0.00 0.00 WAT1 ATOM 5322 H1 TIP3 972 9.456 -10.730 1.657 0.00 0.00 WAT1 ATOM 5323 H2 TIP3 972 8.103 -10.493 1.021 0.00 0.00 WAT1 ATOM 5324 OH2 TIP3 973 1.300 -7.525 1.251 0.00 0.00 WAT1 ATOM 5325 H1 TIP3 973 0.407 -7.186 1.184 0.00 0.00 WAT1 ATOM 5326 H2 TIP3 973 1.201 -8.380 1.669 0.00 0.00 WAT1 ATOM 5327 OH2 TIP3 974 0.069 -0.023 4.993 0.00 0.00 WAT1 ATOM 5328 H1 TIP3 974 0.213 -0.925 4.707 0.00 0.00 WAT1 ATOM 5329 H2 TIP3 974 -0.704 0.263 4.505 0.00 0.00 WAT1 ATOM 5330 OH2 TIP3 975 0.901 -2.823 4.413 0.00 0.00 WAT1 ATOM 5331 H1 TIP3 975 1.309 -3.680 4.292 0.00 0.00 WAT1 ATOM 5332 H2 TIP3 975 0.641 -2.808 5.334 0.00 0.00 WAT1 ATOM 5333 OH2 TIP3 976 5.188 -6.459 2.870 0.00 0.00 WAT1 ATOM 5334 H1 TIP3 976 5.338 -7.188 2.267 0.00 0.00 WAT1 ATOM 5335 H2 TIP3 976 5.190 -5.682 2.311 0.00 0.00 WAT1 ATOM 5336 OH2 TIP3 977 5.600 -8.089 0.362 0.00 0.00 WAT1 ATOM 5337 H1 TIP3 977 6.136 -7.638 -0.290 0.00 0.00 WAT1 ATOM 5338 H2 TIP3 977 4.748 -8.197 -0.060 0.00 0.00 WAT1 ATOM 5339 OH2 TIP3 978 3.666 -5.261 4.781 0.00 0.00 WAT1 ATOM 5340 H1 TIP3 978 2.899 -5.793 4.571 0.00 0.00 WAT1 ATOM 5341 H2 TIP3 978 4.345 -5.571 4.182 0.00 0.00 WAT1 ATOM 5342 OH2 TIP3 979 6.406 -10.633 0.794 0.00 0.00 WAT1 ATOM 5343 H1 TIP3 979 6.308 -9.686 0.688 0.00 0.00 WAT1 ATOM 5344 H2 TIP3 979 5.663 -11.005 0.318 0.00 0.00 WAT1 ATOM 5345 OH2 TIP3 980 7.670 -6.311 4.357 0.00 0.00 WAT1 ATOM 5346 H1 TIP3 980 7.434 -6.531 5.259 0.00 0.00 WAT1 ATOM 5347 H2 TIP3 980 6.887 -6.518 3.848 0.00 0.00 WAT1 ATOM 5348 OH2 TIP3 981 12.020 -8.550 5.438 0.00 0.00 WAT1 ATOM 5349 H1 TIP3 981 11.923 -9.502 5.432 0.00 0.00 WAT1 ATOM 5350 H2 TIP3 981 11.698 -8.281 6.299 0.00 0.00 WAT1 ATOM 5351 OH2 TIP3 982 1.847 -7.340 4.486 0.00 0.00 WAT1 ATOM 5352 H1 TIP3 982 2.058 -8.047 3.875 0.00 0.00 WAT1 ATOM 5353 H2 TIP3 982 1.735 -7.778 5.330 0.00 0.00 WAT1 ATOM 5354 OH2 TIP3 983 6.981 -9.656 5.519 0.00 0.00 WAT1 ATOM 5355 H1 TIP3 983 6.850 -10.132 4.698 0.00 0.00 WAT1 ATOM 5356 H2 TIP3 983 6.382 -8.912 5.463 0.00 0.00 WAT1 ATOM 5357 OH2 TIP3 984 -0.707 -6.317 3.652 0.00 0.00 WAT1 ATOM 5358 H1 TIP3 984 0.212 -6.439 3.888 0.00 0.00 WAT1 ATOM 5359 H2 TIP3 984 -1.157 -7.067 4.041 0.00 0.00 WAT1 ATOM 5360 OH2 TIP3 985 0.408 -10.705 -10.355 0.00 0.00 WAT1 ATOM 5361 H1 TIP3 985 0.847 -10.094 -10.946 0.00 0.00 WAT1 ATOM 5362 H2 TIP3 985 -0.226 -10.167 -9.881 0.00 0.00 WAT1 ATOM 5363 OH2 TIP3 986 1.529 -9.989 3.359 0.00 0.00 WAT1 ATOM 5364 H1 TIP3 986 1.163 -10.754 3.802 0.00 0.00 WAT1 ATOM 5365 H2 TIP3 986 2.442 -9.960 3.646 0.00 0.00 WAT1 ATOM 5366 OH2 TIP3 987 3.502 -10.638 4.895 0.00 0.00 WAT1 ATOM 5367 H1 TIP3 987 4.401 -10.912 4.710 0.00 0.00 WAT1 ATOM 5368 H2 TIP3 987 3.116 -11.381 5.359 0.00 0.00 WAT1 ATOM 5369 OH2 TIP3 988 11.924 -11.306 5.077 0.00 0.00 WAT1 ATOM 5370 H1 TIP3 988 12.000 -11.732 5.931 0.00 0.00 WAT1 ATOM 5371 H2 TIP3 988 12.817 -11.292 4.735 0.00 0.00 WAT1 ATOM 5372 OH2 TIP3 989 1.951 -2.477 17.668 0.00 0.00 WAT1 ATOM 5373 H1 TIP3 989 1.993 -3.103 18.392 0.00 0.00 WAT1 ATOM 5374 H2 TIP3 989 2.654 -1.854 17.850 0.00 0.00 WAT1 ATOM 5375 OH2 TIP3 990 0.195 -2.205 13.722 0.00 0.00 WAT1 ATOM 5376 H1 TIP3 990 0.409 -2.975 14.249 0.00 0.00 WAT1 ATOM 5377 H2 TIP3 990 0.933 -2.116 13.119 0.00 0.00 WAT1 ATOM 5378 OH2 TIP3 991 6.044 -3.217 14.059 0.00 0.00 WAT1 ATOM 5379 H1 TIP3 991 6.660 -3.743 14.568 0.00 0.00 WAT1 ATOM 5380 H2 TIP3 991 5.458 -3.857 13.655 0.00 0.00 WAT1 ATOM 5381 OH2 TIP3 992 0.176 1.065 10.012 0.00 0.00 WAT1 ATOM 5382 H1 TIP3 992 -0.096 1.294 9.123 0.00 0.00 WAT1 ATOM 5383 H2 TIP3 992 0.221 1.903 10.472 0.00 0.00 WAT1 ATOM 5384 OH2 TIP3 993 7.104 -10.940 15.608 0.00 0.00 WAT1 ATOM 5385 H1 TIP3 993 6.987 -11.889 15.554 0.00 0.00 WAT1 ATOM 5386 H2 TIP3 993 6.249 -10.608 15.881 0.00 0.00 WAT1 ATOM 5387 OH2 TIP3 994 4.422 -1.263 12.943 0.00 0.00 WAT1 ATOM 5388 H1 TIP3 994 4.092 -1.633 12.124 0.00 0.00 WAT1 ATOM 5389 H2 TIP3 994 5.010 -1.933 13.289 0.00 0.00 WAT1 ATOM 5390 OH2 TIP3 995 4.789 -2.494 16.576 0.00 0.00 WAT1 ATOM 5391 H1 TIP3 995 5.354 -2.373 15.813 0.00 0.00 WAT1 ATOM 5392 H2 TIP3 995 5.108 -1.857 17.215 0.00 0.00 WAT1 ATOM 5393 OH2 TIP3 996 3.412 -2.193 10.532 0.00 0.00 WAT1 ATOM 5394 H1 TIP3 996 3.120 -1.425 10.041 0.00 0.00 WAT1 ATOM 5395 H2 TIP3 996 2.738 -2.853 10.369 0.00 0.00 WAT1 ATOM 5396 OH2 TIP3 997 9.036 -10.315 19.760 0.00 0.00 WAT1 ATOM 5397 H1 TIP3 997 9.456 -10.730 20.513 0.00 0.00 WAT1 ATOM 5398 H2 TIP3 997 8.103 -10.493 19.877 0.00 0.00 WAT1 ATOM 5399 OH2 TIP3 998 8.698 -7.822 7.045 0.00 0.00 WAT1 ATOM 5400 H1 TIP3 998 8.444 -7.803 7.968 0.00 0.00 WAT1 ATOM 5401 H2 TIP3 998 8.441 -8.694 6.744 0.00 0.00 WAT1 ATOM 5402 OH2 TIP3 999 4.464 -5.071 17.481 0.00 0.00 WAT1 ATOM 5403 H1 TIP3 999 3.822 -5.112 18.190 0.00 0.00 WAT1 ATOM 5404 H2 TIP3 999 4.501 -4.145 17.243 0.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1000 4.461 -4.850 12.393 0.00 0.00 WAT1 ATOM 5406 H1 TIP3 1000 3.568 -5.191 12.334 0.00 0.00 WAT1 ATOM 5407 H2 TIP3 1000 4.912 -5.227 11.637 0.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1001 2.214 -4.751 19.348 0.00 0.00 WAT1 ATOM 5409 H1 TIP3 1001 2.176 -4.351 20.216 0.00 0.00 WAT1 ATOM 5410 H2 TIP3 1001 1.723 -5.568 19.438 0.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1002 5.580 -7.377 6.146 0.00 0.00 WAT1 ATOM 5412 H1 TIP3 1002 5.149 -7.822 6.876 0.00 0.00 WAT1 ATOM 5413 H2 TIP3 1002 4.862 -7.005 5.634 0.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1003 7.043 -7.423 13.479 0.00 0.00 WAT1 ATOM 5415 H1 TIP3 1003 6.132 -7.366 13.768 0.00 0.00 WAT1 ATOM 5416 H2 TIP3 1003 7.548 -7.483 14.290 0.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1004 5.524 -5.794 9.962 0.00 0.00 WAT1 ATOM 5418 H1 TIP3 1004 6.456 -5.665 10.140 0.00 0.00 WAT1 ATOM 5419 H2 TIP3 1004 5.309 -5.124 9.313 0.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1005 4.198 -4.599 7.529 0.00 0.00 WAT1 ATOM 5421 H1 TIP3 1005 3.656 -4.979 6.838 0.00 0.00 WAT1 ATOM 5422 H2 TIP3 1005 5.032 -4.405 7.100 0.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1006 8.363 -4.635 15.366 0.00 0.00 WAT1 ATOM 5424 H1 TIP3 1006 8.927 -5.182 14.819 0.00 0.00 WAT1 ATOM 5425 H2 TIP3 1006 8.215 -5.157 16.155 0.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1007 6.989 -6.247 17.780 0.00 0.00 WAT1 ATOM 5427 H1 TIP3 1007 6.154 -5.793 17.890 0.00 0.00 WAT1 ATOM 5428 H2 TIP3 1007 7.513 -5.971 18.532 0.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1008 11.431 -7.220 7.664 0.00 0.00 WAT1 ATOM 5430 H1 TIP3 1008 10.493 -7.108 7.513 0.00 0.00 WAT1 ATOM 5431 H2 TIP3 1008 11.728 -6.363 7.970 0.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1009 2.658 -0.739 15.234 0.00 0.00 WAT1 ATOM 5433 H1 TIP3 1009 3.403 -0.741 14.633 0.00 0.00 WAT1 ATOM 5434 H2 TIP3 1009 2.736 -1.563 15.716 0.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1010 -0.334 -2.278 20.549 0.00 0.00 WAT1 ATOM 5436 H1 TIP3 1010 -0.111 -2.696 21.381 0.00 0.00 WAT1 ATOM 5437 H2 TIP3 1010 -0.936 -2.891 20.127 0.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1011 2.203 -0.446 8.718 0.00 0.00 WAT1 ATOM 5439 H1 TIP3 1011 1.517 -0.094 9.285 0.00 0.00 WAT1 ATOM 5440 H2 TIP3 1011 2.726 0.317 8.472 0.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1012 10.819 -8.132 10.094 0.00 0.00 WAT1 ATOM 5442 H1 TIP3 1012 11.039 -7.660 9.291 0.00 0.00 WAT1 ATOM 5443 H2 TIP3 1012 11.377 -7.737 10.765 0.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1013 8.019 -6.404 10.929 0.00 0.00 WAT1 ATOM 5445 H1 TIP3 1013 8.831 -5.900 10.975 0.00 0.00 WAT1 ATOM 5446 H2 TIP3 1013 7.774 -6.549 11.843 0.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1014 8.903 -9.323 11.867 0.00 0.00 WAT1 ATOM 5448 H1 TIP3 1014 8.556 -8.705 12.512 0.00 0.00 WAT1 ATOM 5449 H2 TIP3 1014 9.561 -8.822 11.386 0.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1015 4.560 -8.260 8.555 0.00 0.00 WAT1 ATOM 5451 H1 TIP3 1015 4.477 -7.371 8.901 0.00 0.00 WAT1 ATOM 5452 H2 TIP3 1015 5.450 -8.525 8.786 0.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1016 0.901 -2.823 23.269 0.00 0.00 WAT1 ATOM 5454 H1 TIP3 1016 1.309 -3.680 23.148 0.00 0.00 WAT1 ATOM 5455 H2 TIP3 1016 0.641 -2.808 24.190 0.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1017 5.559 -1.707 8.287 0.00 0.00 WAT1 ATOM 5457 H1 TIP3 1017 5.100 -2.191 8.973 0.00 0.00 WAT1 ATOM 5458 H2 TIP3 1017 5.814 -2.375 7.651 0.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1018 4.848 -3.814 20.643 0.00 0.00 WAT1 ATOM 5460 H1 TIP3 1018 4.230 -3.139 20.924 0.00 0.00 WAT1 ATOM 5461 H2 TIP3 1018 5.192 -3.493 19.810 0.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1019 6.630 -3.464 6.550 0.00 0.00 WAT1 ATOM 5463 H1 TIP3 1019 6.450 -3.618 5.622 0.00 0.00 WAT1 ATOM 5464 H2 TIP3 1019 7.581 -3.356 6.594 0.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1020 5.188 -6.459 21.726 0.00 0.00 WAT1 ATOM 5466 H1 TIP3 1020 5.338 -7.188 21.123 0.00 0.00 WAT1 ATOM 5467 H2 TIP3 1020 5.190 -5.682 21.167 0.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1021 5.600 -8.089 19.218 0.00 0.00 WAT1 ATOM 5469 H1 TIP3 1021 6.136 -7.638 18.566 0.00 0.00 WAT1 ATOM 5470 H2 TIP3 1021 4.748 -8.197 18.796 0.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1022 3.666 -5.261 23.637 0.00 0.00 WAT1 ATOM 5472 H1 TIP3 1022 2.899 -5.793 23.427 0.00 0.00 WAT1 ATOM 5473 H2 TIP3 1022 4.345 -5.571 23.038 0.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1023 6.406 -10.633 19.650 0.00 0.00 WAT1 ATOM 5475 H1 TIP3 1023 6.308 -9.686 19.544 0.00 0.00 WAT1 ATOM 5476 H2 TIP3 1023 5.663 -11.005 19.174 0.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1024 1.847 -7.340 23.342 0.00 0.00 WAT1 ATOM 5478 H1 TIP3 1024 2.058 -8.047 22.731 0.00 0.00 WAT1 ATOM 5479 H2 TIP3 1024 1.735 -7.778 24.186 0.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1025 6.628 -11.339 22.321 0.00 0.00 WAT1 ATOM 5481 H1 TIP3 1025 7.340 -11.979 22.307 0.00 0.00 WAT1 ATOM 5482 H2 TIP3 1025 6.527 -11.072 21.407 0.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1026 6.981 -9.656 24.375 0.00 0.00 WAT1 ATOM 5484 H1 TIP3 1026 6.850 -10.132 23.554 0.00 0.00 WAT1 ATOM 5485 H2 TIP3 1026 6.382 -8.912 24.319 0.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1027 0.096 1.863 7.034 0.00 0.00 WAT1 ATOM 5487 H1 TIP3 1027 1.010 1.942 7.307 0.00 0.00 WAT1 ATOM 5488 H2 TIP3 1027 0.103 1.176 6.367 0.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1028 -0.305 -1.588 16.367 0.00 0.00 WAT1 ATOM 5490 H1 TIP3 1028 -0.121 -1.670 15.432 0.00 0.00 WAT1 ATOM 5491 H2 TIP3 1028 0.544 -1.712 16.791 0.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1029 -0.707 -6.317 22.508 0.00 0.00 WAT1 ATOM 5493 H1 TIP3 1029 0.212 -6.439 22.744 0.00 0.00 WAT1 ATOM 5494 H2 TIP3 1029 -1.157 -7.067 22.897 0.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1030 9.245 -9.137 14.876 0.00 0.00 WAT1 ATOM 5496 H1 TIP3 1030 8.570 -9.766 15.131 0.00 0.00 WAT1 ATOM 5497 H2 TIP3 1030 9.809 -9.621 14.273 0.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1031 6.151 -10.576 12.511 0.00 0.00 WAT1 ATOM 5499 H1 TIP3 1031 7.025 -10.188 12.481 0.00 0.00 WAT1 ATOM 5500 H2 TIP3 1031 6.015 -10.791 13.434 0.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1032 13.061 -10.520 9.853 0.00 0.00 WAT1 ATOM 5502 H1 TIP3 1032 12.358 -9.906 9.643 0.00 0.00 WAT1 ATOM 5503 H2 TIP3 1032 12.616 -11.358 9.984 0.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1033 7.295 -8.496 9.401 0.00 0.00 WAT1 ATOM 5505 H1 TIP3 1033 7.473 -9.142 10.084 0.00 0.00 WAT1 ATOM 5506 H2 TIP3 1033 7.241 -7.662 9.868 0.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1034 3.502 -10.638 23.751 0.00 0.00 WAT1 ATOM 5508 H1 TIP3 1034 4.401 -10.912 23.566 0.00 0.00 WAT1 ATOM 5509 H2 TIP3 1034 3.116 -11.381 24.215 0.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1035 5.580 -7.377 25.002 0.00 0.00 WAT1 ATOM 5511 H1 TIP3 1035 5.149 -7.822 25.732 0.00 0.00 WAT1 ATOM 5512 H2 TIP3 1035 4.862 -7.005 24.490 0.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1036 0.097 -6.889 27.478 0.00 0.00 WAT1 ATOM 5514 H1 TIP3 1036 0.571 -6.298 26.893 0.00 0.00 WAT1 ATOM 5515 H2 TIP3 1036 -0.621 -6.358 27.825 0.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1037 1.135 -5.168 25.587 0.00 0.00 WAT1 ATOM 5517 H1 TIP3 1037 1.090 -4.229 25.766 0.00 0.00 WAT1 ATOM 5518 H2 TIP3 1037 0.247 -5.404 25.317 0.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1038 0.408 -10.705 27.357 0.00 0.00 WAT1 ATOM 5520 H1 TIP3 1038 0.847 -10.094 26.766 0.00 0.00 WAT1 ATOM 5521 H2 TIP3 1038 -0.226 -10.167 27.831 0.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1039 2.269 -8.789 25.800 0.00 0.00 WAT1 ATOM 5523 H1 TIP3 1039 2.760 -9.419 25.272 0.00 0.00 WAT1 ATOM 5524 H2 TIP3 1039 2.892 -8.493 26.463 0.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1040 19.018 -50.401 -14.817 0.00 0.00 WAT1 ATOM 5526 H1 TIP3 1040 19.558 -50.618 -14.058 0.00 0.00 WAT1 ATOM 5527 H2 TIP3 1040 18.537 -51.207 -15.007 0.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1041 20.807 -59.045 -1.188 0.00 0.00 WAT1 ATOM 5529 H1 TIP3 1041 20.849 -59.671 -0.464 0.00 0.00 WAT1 ATOM 5530 H2 TIP3 1041 21.510 -58.422 -1.006 0.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1042 21.731 -54.595 -2.653 0.00 0.00 WAT1 ATOM 5532 H1 TIP3 1042 21.361 -55.397 -3.022 0.00 0.00 WAT1 ATOM 5533 H2 TIP3 1042 22.672 -54.764 -2.606 0.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1043 19.051 -58.773 -5.134 0.00 0.00 WAT1 ATOM 5535 H1 TIP3 1043 19.265 -59.543 -4.607 0.00 0.00 WAT1 ATOM 5536 H2 TIP3 1043 19.789 -58.684 -5.737 0.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1044 19.744 -61.335 -4.013 0.00 0.00 WAT1 ATOM 5538 H1 TIP3 1044 20.398 -61.885 -3.581 0.00 0.00 WAT1 ATOM 5539 H2 TIP3 1044 19.768 -61.609 -4.929 0.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1045 24.503 -57.138 -0.413 0.00 0.00 WAT1 ATOM 5541 H1 TIP3 1045 23.763 -56.540 -0.310 0.00 0.00 WAT1 ATOM 5542 H2 TIP3 1045 25.217 -56.584 -0.729 0.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1046 22.911 -55.174 0.374 0.00 0.00 WAT1 ATOM 5544 H1 TIP3 1046 22.905 -54.295 -0.004 0.00 0.00 WAT1 ATOM 5545 H2 TIP3 1046 22.057 -55.257 0.799 0.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1047 19.032 -55.503 -8.844 0.00 0.00 WAT1 ATOM 5547 H1 TIP3 1047 18.760 -55.274 -9.733 0.00 0.00 WAT1 ATOM 5548 H2 TIP3 1047 19.077 -54.665 -8.384 0.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1048 24.645 -54.403 -3.232 0.00 0.00 WAT1 ATOM 5550 H1 TIP3 1048 24.550 -54.981 -3.989 0.00 0.00 WAT1 ATOM 5551 H2 TIP3 1048 25.374 -54.774 -2.736 0.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1049 23.645 -59.062 -2.280 0.00 0.00 WAT1 ATOM 5553 H1 TIP3 1049 24.210 -58.941 -3.043 0.00 0.00 WAT1 ATOM 5554 H2 TIP3 1049 23.964 -58.425 -1.641 0.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1050 24.525 -54.663 2.437 0.00 0.00 WAT1 ATOM 5556 H1 TIP3 1050 24.213 -53.881 2.893 0.00 0.00 WAT1 ATOM 5557 H2 TIP3 1050 23.875 -54.816 1.751 0.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1051 21.445 -58.465 1.666 0.00 0.00 WAT1 ATOM 5559 H1 TIP3 1051 21.515 -57.814 2.364 0.00 0.00 WAT1 ATOM 5560 H2 TIP3 1051 20.554 -58.362 1.331 0.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1052 21.356 -50.817 -6.480 0.00 0.00 WAT1 ATOM 5562 H1 TIP3 1052 21.508 -51.165 -5.601 0.00 0.00 WAT1 ATOM 5563 H2 TIP3 1052 20.505 -51.173 -6.735 0.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1053 21.070 -61.319 0.492 0.00 0.00 WAT1 ATOM 5565 H1 TIP3 1053 21.032 -60.919 1.360 0.00 0.00 WAT1 ATOM 5566 H2 TIP3 1053 20.579 -62.136 0.582 0.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1054 21.189 -56.610 3.772 0.00 0.00 WAT1 ATOM 5568 H1 TIP3 1054 21.922 -56.356 4.333 0.00 0.00 WAT1 ATOM 5569 H2 TIP3 1054 20.409 -56.406 4.287 0.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1055 21.514 -57.307 -3.622 0.00 0.00 WAT1 ATOM 5571 H1 TIP3 1055 22.259 -57.309 -4.223 0.00 0.00 WAT1 ATOM 5572 H2 TIP3 1055 21.592 -58.131 -3.140 0.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1056 23.889 -53.789 -6.217 0.00 0.00 WAT1 ATOM 5574 H1 TIP3 1056 24.416 -53.016 -6.418 0.00 0.00 WAT1 ATOM 5575 H2 TIP3 1056 23.009 -53.564 -6.519 0.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1057 25.831 -51.977 -0.326 0.00 0.00 WAT1 ATOM 5577 H1 TIP3 1057 26.194 -51.122 -0.559 0.00 0.00 WAT1 ATOM 5578 H2 TIP3 1057 26.363 -52.269 0.415 0.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1058 24.000 -51.104 -7.096 0.00 0.00 WAT1 ATOM 5580 H1 TIP3 1058 23.050 -50.999 -7.044 0.00 0.00 WAT1 ATOM 5581 H2 TIP3 1058 24.351 -50.284 -6.751 0.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1059 19.729 -53.014 -7.291 0.00 0.00 WAT1 ATOM 5583 H1 TIP3 1059 18.897 -52.541 -7.264 0.00 0.00 WAT1 ATOM 5584 H2 TIP3 1059 20.275 -52.504 -7.890 0.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1060 23.615 -51.482 5.659 0.00 0.00 WAT1 ATOM 5586 H1 TIP3 1060 24.383 -51.941 6.000 0.00 0.00 WAT1 ATOM 5587 H2 TIP3 1060 23.594 -51.708 4.729 0.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1061 19.757 -59.391 4.413 0.00 0.00 WAT1 ATOM 5589 H1 TIP3 1061 20.165 -60.248 4.292 0.00 0.00 WAT1 ATOM 5590 H2 TIP3 1061 19.497 -59.376 5.334 0.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1062 23.704 -60.382 1.787 0.00 0.00 WAT1 ATOM 5592 H1 TIP3 1062 23.086 -59.707 2.068 0.00 0.00 WAT1 ATOM 5593 H2 TIP3 1062 24.048 -60.061 0.954 0.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1063 18.952 -54.705 -11.822 0.00 0.00 WAT1 ATOM 5595 H1 TIP3 1063 19.866 -54.626 -11.549 0.00 0.00 WAT1 ATOM 5596 H2 TIP3 1063 18.959 -55.392 -12.489 0.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1064 18.551 -58.156 -2.489 0.00 0.00 WAT1 ATOM 5598 H1 TIP3 1064 18.735 -58.238 -3.424 0.00 0.00 WAT1 ATOM 5599 H2 TIP3 1064 19.400 -58.280 -2.065 0.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1065 18.149 -62.885 3.652 0.00 0.00 WAT1 ATOM 5601 H1 TIP3 1065 19.068 -63.007 3.888 0.00 0.00 WAT1 ATOM 5602 H2 TIP3 1065 17.699 -63.635 4.041 0.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1066 17.674 -61.574 -2.388 0.00 0.00 WAT1 ATOM 5604 H1 TIP3 1066 18.166 -61.795 -3.178 0.00 0.00 WAT1 ATOM 5605 H2 TIP3 1066 18.036 -60.733 -2.107 0.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1067 27.408 -51.029 3.373 0.00 0.00 WAT1 ATOM 5607 H1 TIP3 1067 27.593 -51.363 4.251 0.00 0.00 WAT1 ATOM 5608 H2 TIP3 1067 28.255 -50.720 3.051 0.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1068 24.592 -51.369 -3.125 0.00 0.00 WAT1 ATOM 5610 H1 TIP3 1068 24.805 -52.257 -3.412 0.00 0.00 WAT1 ATOM 5611 H2 TIP3 1068 24.657 -51.403 -2.170 0.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1069 19.165 -51.325 -9.457 0.00 0.00 WAT1 ATOM 5613 H1 TIP3 1069 18.480 -51.363 -10.125 0.00 0.00 WAT1 ATOM 5614 H2 TIP3 1069 19.168 -50.412 -9.169 0.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1070 20.983 -50.405 -12.432 0.00 0.00 WAT1 ATOM 5616 H1 TIP3 1070 20.715 -50.118 -11.559 0.00 0.00 WAT1 ATOM 5617 H2 TIP3 1070 21.754 -50.951 -12.280 0.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1071 18.341 -60.935 11.596 0.00 0.00 WAT1 ATOM 5619 H1 TIP3 1071 17.893 -60.089 11.578 0.00 0.00 WAT1 ATOM 5620 H2 TIP3 1071 17.780 -61.515 11.081 0.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1072 19.051 -58.773 13.722 0.00 0.00 WAT1 ATOM 5622 H1 TIP3 1072 19.265 -59.543 14.249 0.00 0.00 WAT1 ATOM 5623 H2 TIP3 1072 19.789 -58.684 13.119 0.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1073 19.032 -55.503 10.012 0.00 0.00 WAT1 ATOM 5625 H1 TIP3 1073 18.760 -55.274 9.123 0.00 0.00 WAT1 ATOM 5626 H2 TIP3 1073 19.077 -54.665 10.472 0.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1074 22.268 -58.761 10.532 0.00 0.00 WAT1 ATOM 5628 H1 TIP3 1074 21.976 -57.993 10.041 0.00 0.00 WAT1 ATOM 5629 H2 TIP3 1074 21.594 -59.421 10.369 0.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1075 18.953 -63.457 8.622 0.00 0.00 WAT1 ATOM 5631 H1 TIP3 1075 19.427 -62.866 8.037 0.00 0.00 WAT1 ATOM 5632 H2 TIP3 1075 18.235 -62.926 8.969 0.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1076 23.054 -61.167 7.529 0.00 0.00 WAT1 ATOM 5634 H1 TIP3 1076 22.512 -61.547 6.838 0.00 0.00 WAT1 ATOM 5635 H2 TIP3 1076 23.888 -60.973 7.100 0.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1077 25.669 -53.837 5.752 0.00 0.00 WAT1 ATOM 5637 H1 TIP3 1077 25.908 -54.585 5.204 0.00 0.00 WAT1 ATOM 5638 H2 TIP3 1077 25.400 -54.225 6.584 0.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1078 21.059 -57.014 8.718 0.00 0.00 WAT1 ATOM 5640 H1 TIP3 1078 20.373 -56.662 9.285 0.00 0.00 WAT1 ATOM 5641 H2 TIP3 1078 21.582 -56.251 8.472 0.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1079 21.675 -54.400 7.615 0.00 0.00 WAT1 ATOM 5643 H1 TIP3 1079 22.267 -53.701 7.891 0.00 0.00 WAT1 ATOM 5644 H2 TIP3 1079 22.134 -54.833 6.896 0.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1080 19.991 -61.736 6.731 0.00 0.00 WAT1 ATOM 5646 H1 TIP3 1080 19.946 -60.797 6.910 0.00 0.00 WAT1 ATOM 5647 H2 TIP3 1080 19.103 -61.972 6.461 0.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1081 19.729 -53.014 11.565 0.00 0.00 WAT1 ATOM 5649 H1 TIP3 1081 18.897 -52.541 11.592 0.00 0.00 WAT1 ATOM 5650 H2 TIP3 1081 20.275 -52.504 10.966 0.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1082 23.266 -56.247 5.981 0.00 0.00 WAT1 ATOM 5652 H1 TIP3 1082 23.330 -57.041 6.512 0.00 0.00 WAT1 ATOM 5653 H2 TIP3 1082 23.919 -56.366 5.292 0.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1083 17.601 -49.312 12.111 0.00 0.00 WAT1 ATOM 5655 H1 TIP3 1083 16.954 -49.774 11.578 0.00 0.00 WAT1 ATOM 5656 H2 TIP3 1083 17.956 -49.984 12.694 0.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1084 19.165 -51.325 9.399 0.00 0.00 WAT1 ATOM 5658 H1 TIP3 1084 18.480 -51.363 8.731 0.00 0.00 WAT1 ATOM 5659 H2 TIP3 1084 19.168 -50.412 9.687 0.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1085 20.983 -50.405 6.424 0.00 0.00 WAT1 ATOM 5661 H1 TIP3 1085 20.715 -50.118 7.297 0.00 0.00 WAT1 ATOM 5662 H2 TIP3 1085 21.754 -50.951 6.576 0.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1086 20.703 -45.052 -14.370 0.00 0.00 WAT1 ATOM 5664 H1 TIP3 1086 20.914 -45.759 -14.981 0.00 0.00 WAT1 ATOM 5665 H2 TIP3 1086 20.591 -45.490 -13.526 0.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1087 18.149 -44.029 -15.204 0.00 0.00 WAT1 ATOM 5667 H1 TIP3 1087 19.068 -44.151 -14.968 0.00 0.00 WAT1 ATOM 5668 H2 TIP3 1087 17.699 -44.779 -14.815 0.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1088 20.385 -47.701 -15.497 0.00 0.00 WAT1 ATOM 5670 H1 TIP3 1088 20.019 -48.466 -15.054 0.00 0.00 WAT1 ATOM 5671 H2 TIP3 1088 21.298 -47.672 -15.210 0.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1089 20.807 -40.189 -1.188 0.00 0.00 WAT1 ATOM 5673 H1 TIP3 1089 20.849 -40.815 -0.464 0.00 0.00 WAT1 ATOM 5674 H2 TIP3 1089 21.510 -39.566 -1.006 0.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1090 19.051 -39.917 -5.134 0.00 0.00 WAT1 ATOM 5676 H1 TIP3 1090 19.265 -40.687 -4.607 0.00 0.00 WAT1 ATOM 5677 H2 TIP3 1090 19.789 -39.828 -5.737 0.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1091 23.124 -44.876 -4.775 0.00 0.00 WAT1 ATOM 5679 H1 TIP3 1091 23.167 -44.016 -5.193 0.00 0.00 WAT1 ATOM 5680 H2 TIP3 1091 22.666 -45.428 -5.408 0.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1092 24.900 -40.929 -4.797 0.00 0.00 WAT1 ATOM 5682 H1 TIP3 1092 25.516 -41.455 -4.288 0.00 0.00 WAT1 ATOM 5683 H2 TIP3 1092 24.314 -41.569 -5.201 0.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1093 24.503 -38.282 -0.413 0.00 0.00 WAT1 ATOM 5685 H1 TIP3 1093 23.763 -37.684 -0.310 0.00 0.00 WAT1 ATOM 5686 H2 TIP3 1093 25.217 -37.728 -0.729 0.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1094 22.911 -36.318 0.374 0.00 0.00 WAT1 ATOM 5688 H1 TIP3 1094 22.905 -35.439 -0.004 0.00 0.00 WAT1 ATOM 5689 H2 TIP3 1094 22.057 -36.401 0.799 0.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1095 19.032 -36.647 -8.844 0.00 0.00 WAT1 ATOM 5691 H1 TIP3 1095 18.760 -36.418 -9.733 0.00 0.00 WAT1 ATOM 5692 H2 TIP3 1095 19.077 -35.809 -8.384 0.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1096 25.960 -48.652 -3.248 0.00 0.00 WAT1 ATOM 5694 H1 TIP3 1096 25.843 -49.601 -3.302 0.00 0.00 WAT1 ATOM 5695 H2 TIP3 1096 25.105 -48.320 -2.975 0.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1097 23.278 -38.975 -5.913 0.00 0.00 WAT1 ATOM 5697 H1 TIP3 1097 22.948 -39.345 -6.732 0.00 0.00 WAT1 ATOM 5698 H2 TIP3 1097 23.866 -39.645 -5.567 0.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1098 24.645 -35.547 -3.232 0.00 0.00 WAT1 ATOM 5700 H1 TIP3 1098 24.550 -36.125 -3.989 0.00 0.00 WAT1 ATOM 5701 H2 TIP3 1098 25.374 -35.918 -2.736 0.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1099 23.645 -40.206 -2.280 0.00 0.00 WAT1 ATOM 5703 H1 TIP3 1099 24.210 -40.085 -3.043 0.00 0.00 WAT1 ATOM 5704 H2 TIP3 1099 23.964 -39.569 -1.641 0.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1100 24.525 -35.807 2.437 0.00 0.00 WAT1 ATOM 5706 H1 TIP3 1100 24.213 -35.025 2.893 0.00 0.00 WAT1 ATOM 5707 H2 TIP3 1100 23.875 -35.960 1.751 0.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1101 21.445 -39.609 1.666 0.00 0.00 WAT1 ATOM 5709 H1 TIP3 1101 21.515 -38.958 2.364 0.00 0.00 WAT1 ATOM 5710 H2 TIP3 1101 20.554 -39.506 1.331 0.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1102 22.764 -33.735 3.201 0.00 0.00 WAT1 ATOM 5712 H1 TIP3 1102 22.772 -33.871 2.253 0.00 0.00 WAT1 ATOM 5713 H2 TIP3 1102 21.848 -33.853 3.453 0.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1103 22.268 -39.905 -8.324 0.00 0.00 WAT1 ATOM 5715 H1 TIP3 1103 21.976 -39.137 -8.815 0.00 0.00 WAT1 ATOM 5716 H2 TIP3 1103 21.594 -40.565 -8.487 0.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1104 27.288 -34.522 1.933 0.00 0.00 WAT1 ATOM 5718 H1 TIP3 1104 27.375 -33.696 2.408 0.00 0.00 WAT1 ATOM 5719 H2 TIP3 1104 26.424 -34.852 2.182 0.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1105 21.356 -31.961 -6.480 0.00 0.00 WAT1 ATOM 5721 H1 TIP3 1105 21.508 -32.309 -5.601 0.00 0.00 WAT1 ATOM 5722 H2 TIP3 1105 20.505 -32.317 -6.735 0.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1106 23.320 -42.783 -1.375 0.00 0.00 WAT1 ATOM 5724 H1 TIP3 1106 22.678 -42.824 -0.666 0.00 0.00 WAT1 ATOM 5725 H2 TIP3 1106 23.357 -41.857 -1.613 0.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1107 23.317 -42.562 -6.463 0.00 0.00 WAT1 ATOM 5727 H1 TIP3 1107 22.424 -42.903 -6.522 0.00 0.00 WAT1 ATOM 5728 H2 TIP3 1107 23.768 -42.939 -7.219 0.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1108 18.953 -44.601 -10.234 0.00 0.00 WAT1 ATOM 5730 H1 TIP3 1108 19.427 -44.010 -10.819 0.00 0.00 WAT1 ATOM 5731 H2 TIP3 1108 18.235 -44.070 -9.887 0.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1109 25.899 -45.135 -5.377 0.00 0.00 WAT1 ATOM 5733 H1 TIP3 1109 24.988 -45.078 -5.088 0.00 0.00 WAT1 ATOM 5734 H2 TIP3 1109 26.404 -45.195 -4.566 0.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1110 20.727 -43.506 -6.550 0.00 0.00 WAT1 ATOM 5736 H1 TIP3 1110 19.838 -43.406 -6.890 0.00 0.00 WAT1 ATOM 5737 H2 TIP3 1110 21.023 -44.348 -6.896 0.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1111 22.221 -46.211 -7.072 0.00 0.00 WAT1 ATOM 5739 H1 TIP3 1111 21.904 -47.113 -7.107 0.00 0.00 WAT1 ATOM 5740 H2 TIP3 1111 23.002 -46.209 -7.624 0.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1112 25.845 -43.959 -1.076 0.00 0.00 WAT1 ATOM 5742 H1 TIP3 1112 25.010 -43.505 -0.966 0.00 0.00 WAT1 ATOM 5743 H2 TIP3 1112 26.369 -43.683 -0.324 0.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1113 21.514 -38.451 -3.622 0.00 0.00 WAT1 ATOM 5745 H1 TIP3 1113 22.259 -38.453 -4.223 0.00 0.00 WAT1 ATOM 5746 H2 TIP3 1113 21.592 -39.275 -3.140 0.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1114 23.889 -34.933 -6.217 0.00 0.00 WAT1 ATOM 5748 H1 TIP3 1114 24.416 -34.160 -6.418 0.00 0.00 WAT1 ATOM 5749 H2 TIP3 1114 23.009 -34.708 -6.519 0.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1115 19.644 -40.071 -11.630 0.00 0.00 WAT1 ATOM 5751 H1 TIP3 1115 20.260 -39.444 -11.251 0.00 0.00 WAT1 ATOM 5752 H2 TIP3 1115 18.782 -39.755 -11.359 0.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1116 25.831 -33.121 -0.326 0.00 0.00 WAT1 ATOM 5754 H1 TIP3 1116 26.194 -32.266 -0.559 0.00 0.00 WAT1 ATOM 5755 H2 TIP3 1116 26.363 -33.413 0.415 0.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1117 24.000 -32.248 -7.096 0.00 0.00 WAT1 ATOM 5757 H1 TIP3 1117 23.050 -32.143 -7.044 0.00 0.00 WAT1 ATOM 5758 H2 TIP3 1117 24.351 -31.428 -6.751 0.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1118 19.991 -42.880 -12.125 0.00 0.00 WAT1 ATOM 5760 H1 TIP3 1118 19.946 -41.941 -11.946 0.00 0.00 WAT1 ATOM 5761 H2 TIP3 1118 19.103 -43.116 -12.395 0.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1119 19.729 -34.158 -7.291 0.00 0.00 WAT1 ATOM 5763 H1 TIP3 1119 18.897 -33.685 -7.264 0.00 0.00 WAT1 ATOM 5764 H2 TIP3 1119 20.275 -33.648 -7.890 0.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1120 23.615 -32.626 5.659 0.00 0.00 WAT1 ATOM 5766 H1 TIP3 1120 24.383 -33.085 6.000 0.00 0.00 WAT1 ATOM 5767 H2 TIP3 1120 23.594 -32.852 4.729 0.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1121 25.580 -37.765 4.426 0.00 0.00 WAT1 ATOM 5769 H1 TIP3 1121 25.252 -37.494 3.568 0.00 0.00 WAT1 ATOM 5770 H2 TIP3 1121 25.732 -38.706 4.338 0.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1122 23.704 -41.526 1.787 0.00 0.00 WAT1 ATOM 5772 H1 TIP3 1122 23.086 -40.851 2.068 0.00 0.00 WAT1 ATOM 5773 H2 TIP3 1122 24.048 -41.205 0.954 0.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1123 24.044 -44.171 2.870 0.00 0.00 WAT1 ATOM 5775 H1 TIP3 1123 24.194 -44.900 2.267 0.00 0.00 WAT1 ATOM 5776 H2 TIP3 1123 24.046 -43.394 2.311 0.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1124 24.456 -45.801 0.362 0.00 0.00 WAT1 ATOM 5778 H1 TIP3 1124 24.992 -45.350 -0.290 0.00 0.00 WAT1 ATOM 5779 H2 TIP3 1124 23.604 -45.909 -0.060 0.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1125 22.522 -42.973 4.781 0.00 0.00 WAT1 ATOM 5781 H1 TIP3 1125 21.755 -43.505 4.571 0.00 0.00 WAT1 ATOM 5782 H2 TIP3 1125 23.201 -43.283 4.182 0.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1126 25.262 -48.345 0.794 0.00 0.00 WAT1 ATOM 5784 H1 TIP3 1126 25.164 -47.398 0.688 0.00 0.00 WAT1 ATOM 5785 H2 TIP3 1126 24.519 -48.717 0.318 0.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1127 20.703 -45.052 4.486 0.00 0.00 WAT1 ATOM 5787 H1 TIP3 1127 20.914 -45.759 3.875 0.00 0.00 WAT1 ATOM 5788 H2 TIP3 1127 20.591 -45.490 5.330 0.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1128 25.484 -49.051 3.465 0.00 0.00 WAT1 ATOM 5790 H1 TIP3 1128 26.196 -49.691 3.451 0.00 0.00 WAT1 ATOM 5791 H2 TIP3 1128 25.383 -48.784 2.551 0.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1129 25.837 -47.368 5.519 0.00 0.00 WAT1 ATOM 5793 H1 TIP3 1129 25.706 -47.844 4.698 0.00 0.00 WAT1 ATOM 5794 H2 TIP3 1129 25.238 -46.624 5.463 0.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1130 17.601 -30.456 -6.745 0.00 0.00 WAT1 ATOM 5796 H1 TIP3 1130 16.954 -30.918 -7.278 0.00 0.00 WAT1 ATOM 5797 H2 TIP3 1130 17.956 -31.128 -6.162 0.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1131 18.551 -39.300 -2.489 0.00 0.00 WAT1 ATOM 5799 H1 TIP3 1131 18.735 -39.382 -3.424 0.00 0.00 WAT1 ATOM 5800 H2 TIP3 1131 19.400 -39.424 -2.065 0.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1132 27.408 -32.173 3.373 0.00 0.00 WAT1 ATOM 5802 H1 TIP3 1132 27.593 -32.507 4.251 0.00 0.00 WAT1 ATOM 5803 H2 TIP3 1132 28.255 -31.864 3.051 0.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1133 27.677 -30.828 -1.333 0.00 0.00 WAT1 ATOM 5805 H1 TIP3 1133 27.220 -30.299 -1.987 0.00 0.00 WAT1 ATOM 5806 H2 TIP3 1133 27.840 -30.225 -0.608 0.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1134 24.592 -32.513 -3.125 0.00 0.00 WAT1 ATOM 5808 H1 TIP3 1134 24.805 -33.401 -3.412 0.00 0.00 WAT1 ATOM 5809 H2 TIP3 1134 24.657 -32.547 -2.170 0.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1135 19.264 -48.417 -10.355 0.00 0.00 WAT1 ATOM 5811 H1 TIP3 1135 19.703 -47.806 -10.946 0.00 0.00 WAT1 ATOM 5812 H2 TIP3 1135 18.630 -47.879 -9.881 0.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1136 25.007 -48.288 -6.345 0.00 0.00 WAT1 ATOM 5814 H1 TIP3 1136 25.881 -47.900 -6.375 0.00 0.00 WAT1 ATOM 5815 H2 TIP3 1136 24.871 -48.503 -5.422 0.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1137 19.165 -32.469 -9.457 0.00 0.00 WAT1 ATOM 5817 H1 TIP3 1137 18.480 -32.507 -10.125 0.00 0.00 WAT1 ATOM 5818 H2 TIP3 1137 19.168 -31.556 -9.169 0.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1138 21.125 -46.501 -11.912 0.00 0.00 WAT1 ATOM 5820 H1 TIP3 1138 21.616 -47.131 -12.440 0.00 0.00 WAT1 ATOM 5821 H2 TIP3 1138 21.748 -46.205 -11.249 0.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1139 22.358 -48.350 4.895 0.00 0.00 WAT1 ATOM 5823 H1 TIP3 1139 23.257 -48.624 4.710 0.00 0.00 WAT1 ATOM 5824 H2 TIP3 1139 21.972 -49.093 5.359 0.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1140 21.731 -35.739 16.203 0.00 0.00 WAT1 ATOM 5826 H1 TIP3 1140 21.361 -36.541 15.834 0.00 0.00 WAT1 ATOM 5827 H2 TIP3 1140 22.672 -35.908 16.250 0.00 0.00 WAT1 ATOM 5828 OH2 TIP3 1141 23.124 -44.876 14.081 0.00 0.00 WAT1 ATOM 5829 H1 TIP3 1141 23.167 -44.016 13.663 0.00 0.00 WAT1 ATOM 5830 H2 TIP3 1141 22.666 -45.428 13.448 0.00 0.00 WAT1 ATOM 5831 OH2 TIP3 1142 24.900 -40.929 14.059 0.00 0.00 WAT1 ATOM 5832 H1 TIP3 1142 25.516 -41.455 14.568 0.00 0.00 WAT1 ATOM 5833 H2 TIP3 1142 24.314 -41.569 13.655 0.00 0.00 WAT1 ATOM 5834 OH2 TIP3 1143 21.934 -45.958 18.155 0.00 0.00 WAT1 ATOM 5835 H1 TIP3 1143 21.715 -45.428 17.389 0.00 0.00 WAT1 ATOM 5836 H2 TIP3 1143 21.266 -45.731 18.803 0.00 0.00 WAT1 ATOM 5837 OH2 TIP3 1144 24.503 -38.282 18.443 0.00 0.00 WAT1 ATOM 5838 H1 TIP3 1144 23.763 -37.684 18.546 0.00 0.00 WAT1 ATOM 5839 H2 TIP3 1144 25.217 -37.728 18.127 0.00 0.00 WAT1 ATOM 5840 OH2 TIP3 1145 21.528 -44.066 16.108 0.00 0.00 WAT1 ATOM 5841 H1 TIP3 1145 22.141 -43.433 16.481 0.00 0.00 WAT1 ATOM 5842 H2 TIP3 1145 22.040 -44.538 15.451 0.00 0.00 WAT1 ATOM 5843 OH2 TIP3 1146 22.911 -36.318 19.230 0.00 0.00 WAT1 ATOM 5844 H1 TIP3 1146 22.905 -35.439 18.852 0.00 0.00 WAT1 ATOM 5845 H2 TIP3 1146 22.057 -36.401 19.655 0.00 0.00 WAT1 ATOM 5846 OH2 TIP3 1147 23.278 -38.975 12.943 0.00 0.00 WAT1 ATOM 5847 H1 TIP3 1147 22.948 -39.345 12.124 0.00 0.00 WAT1 ATOM 5848 H2 TIP3 1147 23.866 -39.645 13.289 0.00 0.00 WAT1 ATOM 5849 OH2 TIP3 1148 24.645 -35.547 15.624 0.00 0.00 WAT1 ATOM 5850 H1 TIP3 1148 24.550 -36.125 14.867 0.00 0.00 WAT1 ATOM 5851 H2 TIP3 1148 25.374 -35.918 16.120 0.00 0.00 WAT1 ATOM 5852 OH2 TIP3 1149 23.645 -40.206 16.576 0.00 0.00 WAT1 ATOM 5853 H1 TIP3 1149 24.210 -40.085 15.813 0.00 0.00 WAT1 ATOM 5854 H2 TIP3 1149 23.964 -39.569 17.215 0.00 0.00 WAT1 ATOM 5855 OH2 TIP3 1150 21.445 -39.609 20.522 0.00 0.00 WAT1 ATOM 5856 H1 TIP3 1150 21.515 -38.958 21.220 0.00 0.00 WAT1 ATOM 5857 H2 TIP3 1150 20.554 -39.506 20.187 0.00 0.00 WAT1 ATOM 5858 OH2 TIP3 1151 22.268 -39.905 10.532 0.00 0.00 WAT1 ATOM 5859 H1 TIP3 1151 21.976 -39.137 10.041 0.00 0.00 WAT1 ATOM 5860 H2 TIP3 1151 21.594 -40.565 10.369 0.00 0.00 WAT1 ATOM 5861 OH2 TIP3 1152 18.361 -37.542 19.347 0.00 0.00 WAT1 ATOM 5862 H1 TIP3 1152 17.860 -37.570 18.532 0.00 0.00 WAT1 ATOM 5863 H2 TIP3 1152 18.367 -38.448 19.657 0.00 0.00 WAT1 ATOM 5864 OH2 TIP3 1153 20.610 -36.219 20.390 0.00 0.00 WAT1 ATOM 5865 H1 TIP3 1153 20.827 -36.580 21.250 0.00 0.00 WAT1 ATOM 5866 H2 TIP3 1153 19.755 -36.593 20.180 0.00 0.00 WAT1 ATOM 5867 OH2 TIP3 1154 23.320 -42.783 17.481 0.00 0.00 WAT1 ATOM 5868 H1 TIP3 1154 22.678 -42.824 18.190 0.00 0.00 WAT1 ATOM 5869 H2 TIP3 1154 23.357 -41.857 17.243 0.00 0.00 WAT1 ATOM 5870 OH2 TIP3 1155 23.317 -42.562 12.393 0.00 0.00 WAT1 ATOM 5871 H1 TIP3 1155 22.424 -42.903 12.334 0.00 0.00 WAT1 ATOM 5872 H2 TIP3 1155 23.768 -42.939 11.637 0.00 0.00 WAT1 ATOM 5873 OH2 TIP3 1156 21.070 -42.463 19.348 0.00 0.00 WAT1 ATOM 5874 H1 TIP3 1156 21.032 -42.063 20.216 0.00 0.00 WAT1 ATOM 5875 H2 TIP3 1156 20.579 -43.280 19.438 0.00 0.00 WAT1 ATOM 5876 OH2 TIP3 1157 24.436 -45.089 6.146 0.00 0.00 WAT1 ATOM 5877 H1 TIP3 1157 24.005 -45.534 6.876 0.00 0.00 WAT1 ATOM 5878 H2 TIP3 1157 23.718 -44.717 5.634 0.00 0.00 WAT1 ATOM 5879 OH2 TIP3 1158 17.678 -45.347 13.198 0.00 0.00 WAT1 ATOM 5880 H1 TIP3 1158 18.309 -45.376 13.918 0.00 0.00 WAT1 ATOM 5881 H2 TIP3 1158 18.128 -45.772 12.468 0.00 0.00 WAT1 ATOM 5882 OH2 TIP3 1159 20.727 -43.506 12.306 0.00 0.00 WAT1 ATOM 5883 H1 TIP3 1159 19.838 -43.406 11.966 0.00 0.00 WAT1 ATOM 5884 H2 TIP3 1159 21.023 -44.348 11.960 0.00 0.00 WAT1 ATOM 5885 OH2 TIP3 1160 23.054 -42.311 7.529 0.00 0.00 WAT1 ATOM 5886 H1 TIP3 1160 22.512 -42.691 6.838 0.00 0.00 WAT1 ATOM 5887 H2 TIP3 1160 23.888 -42.117 7.100 0.00 0.00 WAT1 ATOM 5888 OH2 TIP3 1161 22.221 -46.211 11.784 0.00 0.00 WAT1 ATOM 5889 H1 TIP3 1161 21.904 -47.113 11.749 0.00 0.00 WAT1 ATOM 5890 H2 TIP3 1161 23.002 -46.209 11.232 0.00 0.00 WAT1 ATOM 5891 OH2 TIP3 1162 18.522 -39.990 20.549 0.00 0.00 WAT1 ATOM 5892 H1 TIP3 1162 18.745 -40.408 21.381 0.00 0.00 WAT1 ATOM 5893 H2 TIP3 1162 17.920 -40.603 20.127 0.00 0.00 WAT1 ATOM 5894 OH2 TIP3 1163 23.889 -34.933 12.639 0.00 0.00 WAT1 ATOM 5895 H1 TIP3 1163 24.416 -34.160 12.438 0.00 0.00 WAT1 ATOM 5896 H2 TIP3 1163 23.009 -34.708 12.337 0.00 0.00 WAT1 ATOM 5897 OH2 TIP3 1164 19.644 -40.071 7.226 0.00 0.00 WAT1 ATOM 5898 H1 TIP3 1164 20.260 -39.444 7.605 0.00 0.00 WAT1 ATOM 5899 H2 TIP3 1164 18.782 -39.755 7.497 0.00 0.00 WAT1 ATOM 5900 OH2 TIP3 1165 25.316 -37.270 12.215 0.00 0.00 WAT1 ATOM 5901 H1 TIP3 1165 25.075 -36.345 12.257 0.00 0.00 WAT1 ATOM 5902 H2 TIP3 1165 24.576 -37.729 12.611 0.00 0.00 WAT1 ATOM 5903 OH2 TIP3 1166 24.000 -32.248 11.760 0.00 0.00 WAT1 ATOM 5904 H1 TIP3 1166 23.050 -32.143 11.812 0.00 0.00 WAT1 ATOM 5905 H2 TIP3 1166 24.351 -31.428 12.105 0.00 0.00 WAT1 ATOM 5906 OH2 TIP3 1167 20.156 -45.237 20.107 0.00 0.00 WAT1 ATOM 5907 H1 TIP3 1167 19.263 -44.898 20.040 0.00 0.00 WAT1 ATOM 5908 H2 TIP3 1167 20.057 -46.092 20.525 0.00 0.00 WAT1 ATOM 5909 OH2 TIP3 1168 19.807 -33.432 18.542 0.00 0.00 WAT1 ATOM 5910 H1 TIP3 1168 20.024 -34.364 18.511 0.00 0.00 WAT1 ATOM 5911 H2 TIP3 1168 20.054 -33.158 19.426 0.00 0.00 WAT1 ATOM 5912 OH2 TIP3 1169 25.669 -34.981 5.752 0.00 0.00 WAT1 ATOM 5913 H1 TIP3 1169 25.908 -35.729 5.204 0.00 0.00 WAT1 ATOM 5914 H2 TIP3 1169 25.400 -35.369 6.584 0.00 0.00 WAT1 ATOM 5915 OH2 TIP3 1170 24.606 -35.411 8.208 0.00 0.00 WAT1 ATOM 5916 H1 TIP3 1170 24.753 -35.931 8.998 0.00 0.00 WAT1 ATOM 5917 H2 TIP3 1170 24.603 -34.504 8.514 0.00 0.00 WAT1 ATOM 5918 OH2 TIP3 1171 21.059 -38.158 8.718 0.00 0.00 WAT1 ATOM 5919 H1 TIP3 1171 20.373 -37.806 9.285 0.00 0.00 WAT1 ATOM 5920 H2 TIP3 1171 21.582 -37.395 8.472 0.00 0.00 WAT1 ATOM 5921 OH2 TIP3 1172 24.682 -32.670 8.939 0.00 0.00 WAT1 ATOM 5922 H1 TIP3 1172 24.843 -31.870 8.438 0.00 0.00 WAT1 ATOM 5923 H2 TIP3 1172 24.485 -32.363 9.824 0.00 0.00 WAT1 ATOM 5924 OH2 TIP3 1173 21.675 -35.544 7.615 0.00 0.00 WAT1 ATOM 5925 H1 TIP3 1173 22.267 -34.845 7.891 0.00 0.00 WAT1 ATOM 5926 H2 TIP3 1173 22.134 -35.977 6.896 0.00 0.00 WAT1 ATOM 5927 OH2 TIP3 1174 19.991 -42.880 6.731 0.00 0.00 WAT1 ATOM 5928 H1 TIP3 1174 19.946 -41.941 6.910 0.00 0.00 WAT1 ATOM 5929 H2 TIP3 1174 19.103 -43.116 6.461 0.00 0.00 WAT1 ATOM 5930 OH2 TIP3 1175 19.018 -31.545 22.895 0.00 0.00 WAT1 ATOM 5931 H1 TIP3 1175 19.558 -31.762 23.654 0.00 0.00 WAT1 ATOM 5932 H2 TIP3 1175 18.537 -32.351 22.705 0.00 0.00 WAT1 ATOM 5933 OH2 TIP3 1176 27.707 -33.118 5.890 0.00 0.00 WAT1 ATOM 5934 H1 TIP3 1176 27.063 -33.749 6.212 0.00 0.00 WAT1 ATOM 5935 H2 TIP3 1176 28.469 -33.649 5.658 0.00 0.00 WAT1 ATOM 5936 OH2 TIP3 1177 18.925 -37.735 23.849 0.00 0.00 WAT1 ATOM 5937 H1 TIP3 1177 19.069 -38.637 23.563 0.00 0.00 WAT1 ATOM 5938 H2 TIP3 1177 18.152 -37.449 23.361 0.00 0.00 WAT1 ATOM 5939 OH2 TIP3 1178 23.266 -37.391 5.981 0.00 0.00 WAT1 ATOM 5940 H1 TIP3 1178 23.330 -38.185 6.512 0.00 0.00 WAT1 ATOM 5941 H2 TIP3 1178 23.919 -37.510 5.292 0.00 0.00 WAT1 ATOM 5942 OH2 TIP3 1179 19.757 -40.535 23.269 0.00 0.00 WAT1 ATOM 5943 H1 TIP3 1179 20.165 -41.392 23.148 0.00 0.00 WAT1 ATOM 5944 H2 TIP3 1179 19.497 -40.520 24.190 0.00 0.00 WAT1 ATOM 5945 OH2 TIP3 1180 23.704 -41.526 20.643 0.00 0.00 WAT1 ATOM 5946 H1 TIP3 1180 23.086 -40.851 20.924 0.00 0.00 WAT1 ATOM 5947 H2 TIP3 1180 24.048 -41.205 19.810 0.00 0.00 WAT1 ATOM 5948 OH2 TIP3 1181 25.384 -30.485 7.551 0.00 0.00 WAT1 ATOM 5949 H1 TIP3 1181 26.317 -30.327 7.695 0.00 0.00 WAT1 ATOM 5950 H2 TIP3 1181 25.120 -29.810 6.926 0.00 0.00 WAT1 ATOM 5951 OH2 TIP3 1182 18.149 -44.029 22.508 0.00 0.00 WAT1 ATOM 5952 H1 TIP3 1182 19.068 -44.151 22.744 0.00 0.00 WAT1 ATOM 5953 H2 TIP3 1182 17.699 -44.779 22.897 0.00 0.00 WAT1 ATOM 5954 OH2 TIP3 1183 19.370 -45.717 15.399 0.00 0.00 WAT1 ATOM 5955 H1 TIP3 1183 19.815 -46.509 15.701 0.00 0.00 WAT1 ATOM 5956 H2 TIP3 1183 19.836 -45.001 15.830 0.00 0.00 WAT1 ATOM 5957 OH2 TIP3 1184 17.951 -47.722 18.867 0.00 0.00 WAT1 ATOM 5958 H1 TIP3 1184 17.286 -47.968 19.510 0.00 0.00 WAT1 ATOM 5959 H2 TIP3 1184 17.508 -47.100 18.290 0.00 0.00 WAT1 ATOM 5960 OH2 TIP3 1185 23.097 -33.572 19.270 0.00 0.00 WAT1 ATOM 5961 H1 TIP3 1185 22.672 -32.763 18.987 0.00 0.00 WAT1 ATOM 5962 H2 TIP3 1185 24.002 -33.487 18.968 0.00 0.00 WAT1 ATOM 5963 OH2 TIP3 1186 20.499 -30.316 19.317 0.00 0.00 WAT1 ATOM 5964 H1 TIP3 1186 19.779 -29.876 18.866 0.00 0.00 WAT1 ATOM 5965 H2 TIP3 1186 20.133 -30.567 20.166 0.00 0.00 WAT1 ATOM 5966 OH2 TIP3 1187 22.966 -30.716 18.347 0.00 0.00 WAT1 ATOM 5967 H1 TIP3 1187 22.101 -30.644 18.751 0.00 0.00 WAT1 ATOM 5968 H2 TIP3 1187 22.911 -30.169 17.563 0.00 0.00 WAT1 ATOM 5969 OH2 TIP3 1188 22.055 -32.983 14.883 0.00 0.00 WAT1 ATOM 5970 H1 TIP3 1188 21.836 -33.899 15.052 0.00 0.00 WAT1 ATOM 5971 H2 TIP3 1188 22.879 -32.843 15.349 0.00 0.00 WAT1 ATOM 5972 OH2 TIP3 1189 24.592 -32.513 15.731 0.00 0.00 WAT1 ATOM 5973 H1 TIP3 1189 24.805 -33.401 15.444 0.00 0.00 WAT1 ATOM 5974 H2 TIP3 1189 24.657 -32.547 16.686 0.00 0.00 WAT1 ATOM 5975 OH2 TIP3 1190 20.427 -48.215 12.698 0.00 0.00 WAT1 ATOM 5976 H1 TIP3 1190 19.650 -48.449 12.190 0.00 0.00 WAT1 ATOM 5977 H2 TIP3 1190 20.958 -49.012 12.706 0.00 0.00 WAT1 ATOM 5978 OH2 TIP3 1191 19.264 -48.417 8.501 0.00 0.00 WAT1 ATOM 5979 H1 TIP3 1191 19.703 -47.806 7.910 0.00 0.00 WAT1 ATOM 5980 H2 TIP3 1191 18.630 -47.879 8.975 0.00 0.00 WAT1 ATOM 5981 OH2 TIP3 1192 21.125 -46.501 6.944 0.00 0.00 WAT1 ATOM 5982 H1 TIP3 1192 21.616 -47.131 6.416 0.00 0.00 WAT1 ATOM 5983 H2 TIP3 1192 21.748 -46.205 7.607 0.00 0.00 WAT1 ATOM 5984 OH2 TIP3 1193 28.029 -31.259 7.796 0.00 0.00 WAT1 ATOM 5985 H1 TIP3 1193 28.895 -30.893 7.618 0.00 0.00 WAT1 ATOM 5986 H2 TIP3 1193 27.782 -31.699 6.983 0.00 0.00 WAT1 ATOM 5987 OH2 TIP3 1194 20.807 -21.333 -1.188 0.00 0.00 WAT1 ATOM 5988 H1 TIP3 1194 20.849 -21.959 -0.464 0.00 0.00 WAT1 ATOM 5989 H2 TIP3 1194 21.510 -20.710 -1.006 0.00 0.00 WAT1 ATOM 5990 OH2 TIP3 1195 18.341 -23.223 -7.260 0.00 0.00 WAT1 ATOM 5991 H1 TIP3 1195 17.893 -22.377 -7.278 0.00 0.00 WAT1 ATOM 5992 H2 TIP3 1195 17.780 -23.803 -7.775 0.00 0.00 WAT1 ATOM 5993 OH2 TIP3 1196 19.051 -21.061 -5.134 0.00 0.00 WAT1 ATOM 5994 H1 TIP3 1196 19.265 -21.831 -4.607 0.00 0.00 WAT1 ATOM 5995 H2 TIP3 1196 19.789 -20.972 -5.737 0.00 0.00 WAT1 ATOM 5996 OH2 TIP3 1197 23.124 -26.020 -4.775 0.00 0.00 WAT1 ATOM 5997 H1 TIP3 1197 23.167 -25.160 -5.193 0.00 0.00 WAT1 ATOM 5998 H2 TIP3 1197 22.666 -26.572 -5.408 0.00 0.00 WAT1 ATOM 5999 OH2 TIP3 1198 19.744 -23.623 -4.013 0.00 0.00 WAT1 ATOM 6000 H1 TIP3 1198 20.398 -24.173 -3.581 0.00 0.00 WAT1 ATOM 6001 H2 TIP3 1198 19.768 -23.897 -4.929 0.00 0.00 WAT1 ATOM 6002 OH2 TIP3 1199 21.934 -27.102 -0.701 0.00 0.00 WAT1 ATOM 6003 H1 TIP3 1199 21.715 -26.572 -1.467 0.00 0.00 WAT1 ATOM 6004 H2 TIP3 1199 21.266 -26.875 -0.053 0.00 0.00 WAT1 ATOM 6005 OH2 TIP3 1200 21.528 -25.210 -2.748 0.00 0.00 WAT1 ATOM 6006 H1 TIP3 1200 22.141 -24.577 -2.375 0.00 0.00 WAT1 ATOM 6007 H2 TIP3 1200 22.040 -25.682 -3.405 0.00 0.00 WAT1 ATOM 6008 OH2 TIP3 1201 25.960 -29.796 -3.248 0.00 0.00 WAT1 ATOM 6009 H1 TIP3 1201 25.843 -30.745 -3.302 0.00 0.00 WAT1 ATOM 6010 H2 TIP3 1201 25.105 -29.464 -2.975 0.00 0.00 WAT1 ATOM 6011 OH2 TIP3 1202 21.445 -20.753 1.666 0.00 0.00 WAT1 ATOM 6012 H1 TIP3 1202 21.515 -20.102 2.364 0.00 0.00 WAT1 ATOM 6013 H2 TIP3 1202 20.554 -20.650 1.331 0.00 0.00 WAT1 ATOM 6014 OH2 TIP3 1203 18.361 -18.686 0.491 0.00 0.00 WAT1 ATOM 6015 H1 TIP3 1203 17.860 -18.714 -0.324 0.00 0.00 WAT1 ATOM 6016 H2 TIP3 1203 18.367 -19.592 0.801 0.00 0.00 WAT1 ATOM 6017 OH2 TIP3 1204 18.112 -15.906 -2.625 0.00 0.00 WAT1 ATOM 6018 H1 TIP3 1204 19.058 -16.050 -2.644 0.00 0.00 WAT1 ATOM 6019 H2 TIP3 1204 17.999 -15.122 -2.088 0.00 0.00 WAT1 ATOM 6020 OH2 TIP3 1205 20.610 -17.363 1.534 0.00 0.00 WAT1 ATOM 6021 H1 TIP3 1205 20.827 -17.724 2.394 0.00 0.00 WAT1 ATOM 6022 H2 TIP3 1205 19.755 -17.737 1.324 0.00 0.00 WAT1 ATOM 6023 OH2 TIP3 1206 23.229 -28.893 -2.470 0.00 0.00 WAT1 ATOM 6024 H1 TIP3 1206 22.368 -28.980 -2.878 0.00 0.00 WAT1 ATOM 6025 H2 TIP3 1206 23.207 -28.037 -2.043 0.00 0.00 WAT1 ATOM 6026 OH2 TIP3 1207 27.892 -29.171 0.904 0.00 0.00 WAT1 ATOM 6027 H1 TIP3 1207 28.312 -29.586 1.657 0.00 0.00 WAT1 ATOM 6028 H2 TIP3 1207 26.959 -29.349 1.021 0.00 0.00 WAT1 ATOM 6029 OH2 TIP3 1208 23.320 -23.927 -1.375 0.00 0.00 WAT1 ATOM 6030 H1 TIP3 1208 22.678 -23.968 -0.666 0.00 0.00 WAT1 ATOM 6031 H2 TIP3 1208 23.357 -23.001 -1.613 0.00 0.00 WAT1 ATOM 6032 OH2 TIP3 1209 21.070 -23.607 0.492 0.00 0.00 WAT1 ATOM 6033 H1 TIP3 1209 21.032 -23.207 1.360 0.00 0.00 WAT1 ATOM 6034 H2 TIP3 1209 20.579 -24.424 0.582 0.00 0.00 WAT1 ATOM 6035 OH2 TIP3 1210 17.678 -26.491 -5.658 0.00 0.00 WAT1 ATOM 6036 H1 TIP3 1210 18.309 -26.520 -4.938 0.00 0.00 WAT1 ATOM 6037 H2 TIP3 1210 18.128 -26.916 -6.388 0.00 0.00 WAT1 ATOM 6038 OH2 TIP3 1211 21.189 -18.898 3.772 0.00 0.00 WAT1 ATOM 6039 H1 TIP3 1211 21.922 -18.644 4.333 0.00 0.00 WAT1 ATOM 6040 H2 TIP3 1211 20.409 -18.694 4.287 0.00 0.00 WAT1 ATOM 6041 OH2 TIP3 1212 22.221 -27.355 -7.072 0.00 0.00 WAT1 ATOM 6042 H1 TIP3 1212 21.904 -28.257 -7.107 0.00 0.00 WAT1 ATOM 6043 H2 TIP3 1212 23.002 -27.353 -7.624 0.00 0.00 WAT1 ATOM 6044 OH2 TIP3 1213 25.845 -25.103 -1.076 0.00 0.00 WAT1 ATOM 6045 H1 TIP3 1213 25.010 -24.649 -0.966 0.00 0.00 WAT1 ATOM 6046 H2 TIP3 1213 26.369 -24.827 -0.324 0.00 0.00 WAT1 ATOM 6047 OH2 TIP3 1214 25.539 -21.617 3.906 0.00 0.00 WAT1 ATOM 6048 H1 TIP3 1214 25.243 -21.783 3.011 0.00 0.00 WAT1 ATOM 6049 H2 TIP3 1214 26.470 -21.837 3.896 0.00 0.00 WAT1 ATOM 6050 OH2 TIP3 1215 27.411 -24.274 1.258 0.00 0.00 WAT1 ATOM 6051 H1 TIP3 1215 27.530 -23.700 2.015 0.00 0.00 WAT1 ATOM 6052 H2 TIP3 1215 28.066 -24.962 1.373 0.00 0.00 WAT1 ATOM 6053 OH2 TIP3 1216 18.925 -18.879 4.993 0.00 0.00 WAT1 ATOM 6054 H1 TIP3 1216 19.069 -19.781 4.707 0.00 0.00 WAT1 ATOM 6055 H2 TIP3 1216 18.152 -18.593 4.505 0.00 0.00 WAT1 ATOM 6056 OH2 TIP3 1217 23.704 -22.670 1.787 0.00 0.00 WAT1 ATOM 6057 H1 TIP3 1217 23.086 -21.995 2.068 0.00 0.00 WAT1 ATOM 6058 H2 TIP3 1217 24.048 -22.349 0.954 0.00 0.00 WAT1 ATOM 6059 OH2 TIP3 1218 24.044 -25.315 2.870 0.00 0.00 WAT1 ATOM 6060 H1 TIP3 1218 24.194 -26.044 2.267 0.00 0.00 WAT1 ATOM 6061 H2 TIP3 1218 24.046 -24.538 2.311 0.00 0.00 WAT1 ATOM 6062 OH2 TIP3 1219 24.456 -26.945 0.362 0.00 0.00 WAT1 ATOM 6063 H1 TIP3 1219 24.992 -26.494 -0.290 0.00 0.00 WAT1 ATOM 6064 H2 TIP3 1219 23.604 -27.053 -0.060 0.00 0.00 WAT1 ATOM 6065 OH2 TIP3 1220 22.522 -24.117 4.781 0.00 0.00 WAT1 ATOM 6066 H1 TIP3 1220 21.755 -24.649 4.571 0.00 0.00 WAT1 ATOM 6067 H2 TIP3 1220 23.201 -24.427 4.182 0.00 0.00 WAT1 ATOM 6068 OH2 TIP3 1221 25.262 -29.489 0.794 0.00 0.00 WAT1 ATOM 6069 H1 TIP3 1221 25.164 -28.542 0.688 0.00 0.00 WAT1 ATOM 6070 H2 TIP3 1221 24.519 -29.861 0.318 0.00 0.00 WAT1 ATOM 6071 OH2 TIP3 1222 26.526 -25.167 4.357 0.00 0.00 WAT1 ATOM 6072 H1 TIP3 1222 26.290 -25.387 5.259 0.00 0.00 WAT1 ATOM 6073 H2 TIP3 1222 25.743 -25.374 3.848 0.00 0.00 WAT1 ATOM 6074 OH2 TIP3 1223 29.242 -26.040 3.433 0.00 0.00 WAT1 ATOM 6075 H1 TIP3 1223 28.294 -26.008 3.565 0.00 0.00 WAT1 ATOM 6076 H2 TIP3 1223 29.554 -26.665 4.087 0.00 0.00 WAT1 ATOM 6077 OH2 TIP3 1224 25.484 -30.195 3.465 0.00 0.00 WAT1 ATOM 6078 H1 TIP3 1224 26.196 -30.835 3.451 0.00 0.00 WAT1 ATOM 6079 H2 TIP3 1224 25.383 -29.928 2.551 0.00 0.00 WAT1 ATOM 6080 OH2 TIP3 1225 25.837 -28.512 5.519 0.00 0.00 WAT1 ATOM 6081 H1 TIP3 1225 25.706 -28.988 4.698 0.00 0.00 WAT1 ATOM 6082 H2 TIP3 1225 25.238 -27.768 5.463 0.00 0.00 WAT1 ATOM 6083 OH2 TIP3 1226 18.551 -20.444 -2.489 0.00 0.00 WAT1 ATOM 6084 H1 TIP3 1226 18.735 -20.526 -3.424 0.00 0.00 WAT1 ATOM 6085 H2 TIP3 1226 19.400 -20.568 -2.065 0.00 0.00 WAT1 ATOM 6086 OH2 TIP3 1227 19.370 -26.861 -3.457 0.00 0.00 WAT1 ATOM 6087 H1 TIP3 1227 19.815 -27.653 -3.155 0.00 0.00 WAT1 ATOM 6088 H2 TIP3 1227 19.836 -26.145 -3.026 0.00 0.00 WAT1 ATOM 6089 OH2 TIP3 1228 17.987 -27.604 -8.333 0.00 0.00 WAT1 ATOM 6090 H1 TIP3 1228 17.062 -27.395 -8.463 0.00 0.00 WAT1 ATOM 6091 H2 TIP3 1228 18.441 -27.120 -9.023 0.00 0.00 WAT1 ATOM 6092 OH2 TIP3 1229 20.427 -29.359 -6.158 0.00 0.00 WAT1 ATOM 6093 H1 TIP3 1229 19.650 -29.593 -6.666 0.00 0.00 WAT1 ATOM 6094 H2 TIP3 1229 20.958 -30.156 -6.150 0.00 0.00 WAT1 ATOM 6095 OH2 TIP3 1230 25.007 -29.432 -6.345 0.00 0.00 WAT1 ATOM 6096 H1 TIP3 1230 25.881 -29.044 -6.375 0.00 0.00 WAT1 ATOM 6097 H2 TIP3 1230 24.871 -29.647 -5.422 0.00 0.00 WAT1 ATOM 6098 OH2 TIP3 1231 20.807 -21.333 17.668 0.00 0.00 WAT1 ATOM 6099 H1 TIP3 1231 20.849 -21.959 18.392 0.00 0.00 WAT1 ATOM 6100 H2 TIP3 1231 21.510 -20.710 17.850 0.00 0.00 WAT1 ATOM 6101 OH2 TIP3 1232 21.731 -16.883 16.203 0.00 0.00 WAT1 ATOM 6102 H1 TIP3 1232 21.361 -17.685 15.834 0.00 0.00 WAT1 ATOM 6103 H2 TIP3 1232 22.672 -17.052 16.250 0.00 0.00 WAT1 ATOM 6104 OH2 TIP3 1233 23.124 -26.020 14.081 0.00 0.00 WAT1 ATOM 6105 H1 TIP3 1233 23.167 -25.160 13.663 0.00 0.00 WAT1 ATOM 6106 H2 TIP3 1233 22.666 -26.572 13.448 0.00 0.00 WAT1 ATOM 6107 OH2 TIP3 1234 21.934 -27.102 18.155 0.00 0.00 WAT1 ATOM 6108 H1 TIP3 1234 21.715 -26.572 17.389 0.00 0.00 WAT1 ATOM 6109 H2 TIP3 1234 21.266 -26.875 18.803 0.00 0.00 WAT1 ATOM 6110 OH2 TIP3 1235 21.528 -25.210 16.108 0.00 0.00 WAT1 ATOM 6111 H1 TIP3 1235 22.141 -24.577 16.481 0.00 0.00 WAT1 ATOM 6112 H2 TIP3 1235 22.040 -25.682 15.451 0.00 0.00 WAT1 ATOM 6113 OH2 TIP3 1236 19.032 -17.791 10.012 0.00 0.00 WAT1 ATOM 6114 H1 TIP3 1236 18.760 -17.562 9.123 0.00 0.00 WAT1 ATOM 6115 H2 TIP3 1236 19.077 -16.953 10.472 0.00 0.00 WAT1 ATOM 6116 OH2 TIP3 1237 25.960 -29.796 15.608 0.00 0.00 WAT1 ATOM 6117 H1 TIP3 1237 25.843 -30.745 15.554 0.00 0.00 WAT1 ATOM 6118 H2 TIP3 1237 25.105 -29.464 15.881 0.00 0.00 WAT1 ATOM 6119 OH2 TIP3 1238 23.278 -20.119 12.943 0.00 0.00 WAT1 ATOM 6120 H1 TIP3 1238 22.948 -20.489 12.124 0.00 0.00 WAT1 ATOM 6121 H2 TIP3 1238 23.866 -20.789 13.289 0.00 0.00 WAT1 ATOM 6122 OH2 TIP3 1239 23.645 -21.350 16.576 0.00 0.00 WAT1 ATOM 6123 H1 TIP3 1239 24.210 -21.229 15.813 0.00 0.00 WAT1 ATOM 6124 H2 TIP3 1239 23.964 -20.713 17.215 0.00 0.00 WAT1 ATOM 6125 OH2 TIP3 1240 22.268 -21.049 10.532 0.00 0.00 WAT1 ATOM 6126 H1 TIP3 1240 21.976 -20.281 10.041 0.00 0.00 WAT1 ATOM 6127 H2 TIP3 1240 21.594 -21.709 10.369 0.00 0.00 WAT1 ATOM 6128 OH2 TIP3 1241 18.361 -18.686 19.347 0.00 0.00 WAT1 ATOM 6129 H1 TIP3 1241 17.860 -18.714 18.532 0.00 0.00 WAT1 ATOM 6130 H2 TIP3 1241 18.367 -19.592 19.657 0.00 0.00 WAT1 ATOM 6131 OH2 TIP3 1242 18.112 -15.906 16.231 0.00 0.00 WAT1 ATOM 6132 H1 TIP3 1242 19.058 -16.050 16.212 0.00 0.00 WAT1 ATOM 6133 H2 TIP3 1242 17.999 -15.122 16.768 0.00 0.00 WAT1 ATOM 6134 OH2 TIP3 1243 23.229 -28.893 16.386 0.00 0.00 WAT1 ATOM 6135 H1 TIP3 1243 22.368 -28.980 15.978 0.00 0.00 WAT1 ATOM 6136 H2 TIP3 1243 23.207 -28.037 16.813 0.00 0.00 WAT1 ATOM 6137 OH2 TIP3 1244 27.554 -26.678 7.045 0.00 0.00 WAT1 ATOM 6138 H1 TIP3 1244 27.300 -26.659 7.968 0.00 0.00 WAT1 ATOM 6139 H2 TIP3 1244 27.297 -27.550 6.744 0.00 0.00 WAT1 ATOM 6140 OH2 TIP3 1245 23.320 -23.927 17.481 0.00 0.00 WAT1 ATOM 6141 H1 TIP3 1245 22.678 -23.968 18.190 0.00 0.00 WAT1 ATOM 6142 H2 TIP3 1245 23.357 -23.001 17.243 0.00 0.00 WAT1 ATOM 6143 OH2 TIP3 1246 23.317 -23.706 12.393 0.00 0.00 WAT1 ATOM 6144 H1 TIP3 1246 22.424 -24.047 12.334 0.00 0.00 WAT1 ATOM 6145 H2 TIP3 1246 23.768 -24.083 11.637 0.00 0.00 WAT1 ATOM 6146 OH2 TIP3 1247 21.070 -23.607 19.348 0.00 0.00 WAT1 ATOM 6147 H1 TIP3 1247 21.032 -23.207 20.216 0.00 0.00 WAT1 ATOM 6148 H2 TIP3 1247 20.579 -24.424 19.438 0.00 0.00 WAT1 ATOM 6149 OH2 TIP3 1248 24.436 -26.233 6.146 0.00 0.00 WAT1 ATOM 6150 H1 TIP3 1248 24.005 -26.678 6.876 0.00 0.00 WAT1 ATOM 6151 H2 TIP3 1248 23.718 -25.861 5.634 0.00 0.00 WAT1 ATOM 6152 OH2 TIP3 1249 25.899 -26.279 13.479 0.00 0.00 WAT1 ATOM 6153 H1 TIP3 1249 24.988 -26.222 13.768 0.00 0.00 WAT1 ATOM 6154 H2 TIP3 1249 26.404 -26.339 14.290 0.00 0.00 WAT1 ATOM 6155 OH2 TIP3 1250 20.727 -24.650 12.306 0.00 0.00 WAT1 ATOM 6156 H1 TIP3 1250 19.838 -24.550 11.966 0.00 0.00 WAT1 ATOM 6157 H2 TIP3 1250 21.023 -25.492 11.960 0.00 0.00 WAT1 ATOM 6158 OH2 TIP3 1251 24.380 -24.650 9.962 0.00 0.00 WAT1 ATOM 6159 H1 TIP3 1251 25.312 -24.521 10.140 0.00 0.00 WAT1 ATOM 6160 H2 TIP3 1251 24.165 -23.980 9.313 0.00 0.00 WAT1 ATOM 6161 OH2 TIP3 1252 23.054 -23.455 7.529 0.00 0.00 WAT1 ATOM 6162 H1 TIP3 1252 22.512 -23.835 6.838 0.00 0.00 WAT1 ATOM 6163 H2 TIP3 1252 23.888 -23.261 7.100 0.00 0.00 WAT1 ATOM 6164 OH2 TIP3 1253 22.221 -27.355 11.784 0.00 0.00 WAT1 ATOM 6165 H1 TIP3 1253 21.904 -28.257 11.749 0.00 0.00 WAT1 ATOM 6166 H2 TIP3 1253 23.002 -27.353 11.232 0.00 0.00 WAT1 ATOM 6167 OH2 TIP3 1254 21.514 -19.595 15.234 0.00 0.00 WAT1 ATOM 6168 H1 TIP3 1254 22.259 -19.597 14.633 0.00 0.00 WAT1 ATOM 6169 H2 TIP3 1254 21.592 -20.419 15.716 0.00 0.00 WAT1 ATOM 6170 OH2 TIP3 1255 18.522 -21.134 20.549 0.00 0.00 WAT1 ATOM 6171 H1 TIP3 1255 18.745 -21.552 21.381 0.00 0.00 WAT1 ATOM 6172 H2 TIP3 1255 17.920 -21.747 20.127 0.00 0.00 WAT1 ATOM 6173 OH2 TIP3 1256 19.644 -21.215 7.226 0.00 0.00 WAT1 ATOM 6174 H1 TIP3 1256 20.260 -20.588 7.605 0.00 0.00 WAT1 ATOM 6175 H2 TIP3 1256 18.782 -20.899 7.497 0.00 0.00 WAT1 ATOM 6176 OH2 TIP3 1257 20.156 -26.381 20.107 0.00 0.00 WAT1 ATOM 6177 H1 TIP3 1257 19.263 -26.042 20.040 0.00 0.00 WAT1 ATOM 6178 H2 TIP3 1257 20.057 -27.236 20.525 0.00 0.00 WAT1 ATOM 6179 OH2 TIP3 1258 21.059 -19.302 8.718 0.00 0.00 WAT1 ATOM 6180 H1 TIP3 1258 20.373 -18.950 9.285 0.00 0.00 WAT1 ATOM 6181 H2 TIP3 1258 21.582 -18.539 8.472 0.00 0.00 WAT1 ATOM 6182 OH2 TIP3 1259 23.416 -27.116 8.555 0.00 0.00 WAT1 ATOM 6183 H1 TIP3 1259 23.333 -26.227 8.901 0.00 0.00 WAT1 ATOM 6184 H2 TIP3 1259 24.306 -27.381 8.786 0.00 0.00 WAT1 ATOM 6185 OH2 TIP3 1260 19.991 -24.024 6.731 0.00 0.00 WAT1 ATOM 6186 H1 TIP3 1260 19.946 -23.085 6.910 0.00 0.00 WAT1 ATOM 6187 H2 TIP3 1260 19.103 -24.260 6.461 0.00 0.00 WAT1 ATOM 6188 OH2 TIP3 1261 19.729 -15.302 11.565 0.00 0.00 WAT1 ATOM 6189 H1 TIP3 1261 18.897 -14.829 11.592 0.00 0.00 WAT1 ATOM 6190 H2 TIP3 1261 20.275 -14.792 10.966 0.00 0.00 WAT1 ATOM 6191 OH2 TIP3 1262 25.486 -22.320 6.550 0.00 0.00 WAT1 ATOM 6192 H1 TIP3 1262 25.306 -22.474 5.622 0.00 0.00 WAT1 ATOM 6193 H2 TIP3 1262 26.437 -22.212 6.594 0.00 0.00 WAT1 ATOM 6194 OH2 TIP3 1263 18.952 -16.993 7.034 0.00 0.00 WAT1 ATOM 6195 H1 TIP3 1263 19.866 -16.914 7.307 0.00 0.00 WAT1 ATOM 6196 H2 TIP3 1263 18.959 -17.680 6.367 0.00 0.00 WAT1 ATOM 6197 OH2 TIP3 1264 18.471 -13.519 13.916 0.00 0.00 WAT1 ATOM 6198 H1 TIP3 1264 18.137 -14.400 14.088 0.00 0.00 WAT1 ATOM 6199 H2 TIP3 1264 18.693 -13.174 14.780 0.00 0.00 WAT1 ATOM 6200 OH2 TIP3 1265 18.149 -25.173 22.508 0.00 0.00 WAT1 ATOM 6201 H1 TIP3 1265 19.068 -25.295 22.744 0.00 0.00 WAT1 ATOM 6202 H2 TIP3 1265 17.699 -25.923 22.897 0.00 0.00 WAT1 ATOM 6203 OH2 TIP3 1266 17.951 -28.866 18.867 0.00 0.00 WAT1 ATOM 6204 H1 TIP3 1266 17.286 -29.112 19.510 0.00 0.00 WAT1 ATOM 6205 H2 TIP3 1266 17.508 -28.244 18.290 0.00 0.00 WAT1 ATOM 6206 OH2 TIP3 1267 25.007 -29.432 12.511 0.00 0.00 WAT1 ATOM 6207 H1 TIP3 1267 25.881 -29.044 12.481 0.00 0.00 WAT1 ATOM 6208 H2 TIP3 1267 24.871 -29.647 13.434 0.00 0.00 WAT1 ATOM 6209 OH2 TIP3 1268 26.151 -27.352 9.401 0.00 0.00 WAT1 ATOM 6210 H1 TIP3 1268 26.329 -27.998 10.084 0.00 0.00 WAT1 ATOM 6211 H2 TIP3 1268 26.097 -26.518 9.868 0.00 0.00 WAT1 ATOM 6212 OH2 TIP3 1269 20.385 -28.845 22.215 0.00 0.00 WAT1 ATOM 6213 H1 TIP3 1269 20.019 -29.610 22.658 0.00 0.00 WAT1 ATOM 6214 H2 TIP3 1269 21.298 -28.816 22.502 0.00 0.00 WAT1 END