REMARK FILENAME="/farm/data/gliu/projects/HR5537/cns/calc18mod1_hb1/refinedPD" 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:19-Jun-2009 21:43:50 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 29.570 -6.002 -6.849 1.00 0.52 ATOM 2 CB MET 1 29.838 -4.213 -8.007 1.00 21.30 ATOM 3 HB1 MET 1 30.789 -3.793 -7.698 1.00 36.75 ATOM 4 HB2 MET 1 29.176 -3.400 -8.278 1.00 14.51 ATOM 5 CG MET 1 30.095 -5.077 -9.231 1.00 52.34 ATOM 6 HG1 MET 1 29.316 -5.824 -9.315 1.00 36.75 ATOM 7 HG2 MET 1 31.049 -5.568 -9.113 1.00 54.31 ATOM 8 SD MET 1 30.129 -4.121 -10.760 1.00 72.32 ATOM 9 CE MET 1 31.567 -3.090 -10.483 1.00 61.43 ATOM 10 HE1 MET 1 32.437 -3.715 -10.345 1.00 41.31 ATOM 11 HE2 MET 1 31.413 -2.487 -9.600 1.00 64.44 ATOM 12 HE3 MET 1 31.718 -2.446 -11.337 1.00 34.40 ATOM 13 C MET 1 29.618 -4.333 -5.518 1.00 4.22 ATOM 14 O MET 1 29.067 -3.307 -5.122 1.00 54.24 ATOM 15 N MET 1 27.762 -5.015 -6.976 1.00 71.50 ATOM 16 HT1 MET 1 27.363 -4.050 -6.965 1.00 36.75 ATOM 17 HT2 MET 1 27.339 -5.559 -6.193 1.00 36.75 ATOM 18 HT3 MET 1 27.494 -5.474 -7.873 1.00 36.75 ATOM 19 CA MET 1 29.213 -4.979 -6.839 1.00 3.31 ATOM 20 N GLY 2 30.586 -4.941 -4.839 1.00 23.23 ATOM 21 HN GLY 2 31.000 -5.760 -5.195 1.00 36.75 ATOM 22 CA GLY 2 31.048 -4.411 -3.569 1.00 71.01 ATOM 23 HA1 GLY 2 30.655 -3.415 -3.401 1.00 36.75 ATOM 24 HA2 GLY 2 32.126 -4.348 -3.603 1.00 32.05 ATOM 25 C GLY 2 30.657 -5.290 -2.397 1.00 41.43 ATOM 26 O GLY 2 29.756 -6.122 -2.509 1.00 43.21 ATOM 27 N HIS 3 31.337 -5.107 -1.270 1.00 10.42 ATOM 28 HN HIS 3 32.058 -4.435 -1.239 1.00 36.75 ATOM 29 CA HIS 3 31.056 -5.890 -0.072 1.00 65.51 ATOM 30 HA HIS 3 30.088 -6.368 -0.182 1.00 33.44 ATOM 31 CB HIS 3 32.124 -6.968 0.119 1.00 30.22 ATOM 32 HB1 HIS 3 33.030 -6.528 0.517 1.00 36.75 ATOM 33 HB2 HIS 3 32.348 -7.411 -0.842 1.00 2.35 ATOM 34 CG HIS 3 31.701 -8.074 1.037 1.00 42.21 ATOM 35 ND1 HIS 3 31.747 -7.970 2.411 1.00 30.22 ATOM 36 HD1 HIS 3 32.052 -7.188 2.916 1.00 35.42 ATOM 37 CD2 HIS 3 31.221 -9.311 0.770 1.00 13.22 ATOM 38 HD2 HIS 3 31.052 -9.735 -0.210 1.00 64.22 ATOM 39 CE1 HIS 3 31.315 -9.096 2.950 1.00 33.20 ATOM 40 HE1 HIS 3 31.240 -9.302 4.007 1.00 52.50 ATOM 41 NE2 HIS 3 30.989 -9.926 1.976 1.00 74.24 ATOM 42 HE2 HIS 3 30.727 -10.863 2.096 1.00 36.75 ATOM 43 C HIS 3 30.994 -4.995 1.161 1.00 3.43 ATOM 44 O HIS 3 31.788 -5.144 2.091 1.00 62.43 ATOM 45 N HIS 4 30.046 -4.063 1.163 1.00 44.42 ATOM 46 HN HIS 4 29.446 -3.980 0.386 1.00 36.75 ATOM 47 CA HIS 4 29.881 -3.142 2.282 1.00 30.22 ATOM 48 HA HIS 4 30.708 -3.271 2.972 1.00 34.12 ATOM 49 CB HIS 4 29.881 -1.696 1.785 1.00 21.32 ATOM 50 HB1 HIS 4 28.936 -1.472 1.306 1.00 36.75 ATOM 51 HB2 HIS 4 30.676 -1.574 1.063 1.00 34.23 ATOM 52 CG HIS 4 30.100 -0.689 2.872 1.00 30.42 ATOM 53 ND1 HIS 4 29.069 -0.116 3.586 1.00 73.22 ATOM 54 HD1 HIS 4 28.115 -0.300 3.461 1.00 13.23 ATOM 55 CD2 HIS 4 31.241 -0.155 3.367 1.00 32.25 ATOM 56 HD2 HIS 4 32.247 -0.378 3.041 1.00 34.43 ATOM 57 CE1 HIS 4 29.566 0.728 4.472 1.00 54.41 ATOM 58 HE1 HIS 4 28.994 1.320 5.170 1.00 11.14 ATOM 59 NE2 HIS 4 30.882 0.723 4.360 1.00 33.02 ATOM 60 HE2 HIS 4 31.502 1.187 4.961 1.00 36.75 ATOM 61 C HIS 4 28.588 -3.433 3.038 1.00 52.22 ATOM 62 O HIS 4 28.541 -3.345 4.265 1.00 12.13 ATOM 63 N HIS 5 27.540 -3.778 2.297 1.00 72.43 ATOM 64 HN HIS 5 27.617 -3.822 1.319 1.00 36.75 ATOM 65 CA HIS 5 26.246 -4.082 2.897 1.00 15.32 ATOM 66 HA HIS 5 26.277 -3.826 3.951 1.00 51.41 ATOM 67 CB HIS 5 25.143 -3.263 2.225 1.00 43.22 ATOM 68 HB1 HIS 5 24.811 -3.758 1.320 1.00 36.75 ATOM 69 HB2 HIS 5 25.537 -2.290 1.964 1.00 5.11 ATOM 70 CG HIS 5 23.948 -3.036 3.098 1.00 1.25 ATOM 71 ND1 HIS 5 23.946 -2.150 4.155 1.00 55.41 ATOM 72 HD1 HIS 5 24.702 -1.594 4.438 1.00 2.14 ATOM 73 CD2 HIS 5 22.711 -3.585 3.067 1.00 42.33 ATOM 74 HD2 HIS 5 22.356 -4.325 2.364 1.00 43.23 ATOM 75 CE1 HIS 5 22.759 -2.164 4.736 1.00 24.42 ATOM 76 HE1 HIS 5 22.466 -1.570 5.589 1.00 22.31 ATOM 77 NE2 HIS 5 21.992 -3.027 4.095 1.00 53.34 ATOM 78 HE2 HIS 5 21.092 -3.299 4.373 1.00 36.75 ATOM 79 C HIS 5 25.930 -5.570 2.785 1.00 21.20 ATOM 80 O HIS 5 24.780 -5.958 2.578 1.00 54.44 ATOM 81 N HIS 6 26.959 -6.400 2.923 1.00 61.43 ATOM 82 HN HIS 6 27.856 -6.049 3.119 1.00 36.75 ATOM 83 CA HIS 6 26.791 -7.847 2.837 1.00 43.24 ATOM 84 HA HIS 6 25.805 -8.070 2.442 1.00 20.32 ATOM 85 CB HIS 6 27.843 -8.449 1.905 1.00 42.13 ATOM 86 HB1 HIS 6 28.040 -9.479 2.179 1.00 36.75 ATOM 87 HB2 HIS 6 28.761 -7.886 1.985 1.00 21.35 ATOM 88 CG HIS 6 27.435 -8.453 0.464 1.00 50.43 ATOM 89 ND1 HIS 6 27.789 -9.454 -0.416 1.00 51.42 ATOM 90 HD1 HIS 6 28.328 -10.243 -0.199 1.00 54.22 ATOM 91 CD2 HIS 6 26.697 -7.570 -0.250 1.00 33.43 ATOM 92 HD2 HIS 6 26.251 -6.658 0.122 1.00 73.40 ATOM 93 CE1 HIS 6 27.288 -9.186 -1.609 1.00 35.12 ATOM 94 HE1 HIS 6 27.404 -9.794 -2.494 1.00 32.40 ATOM 95 NE2 HIS 6 26.620 -8.049 -1.535 1.00 11.25 ATOM 96 HE2 HIS 6 26.071 -7.669 -2.252 1.00 36.75 ATOM 97 C HIS 6 26.891 -8.488 4.217 1.00 32.43 ATOM 98 O HIS 6 27.868 -9.170 4.527 1.00 24.04 ATOM 99 N HIS 7 25.873 -8.265 5.043 1.00 23.11 ATOM 100 HN HIS 7 25.116 -7.708 4.744 1.00 36.75 ATOM 101 CA HIS 7 25.847 -8.821 6.391 1.00 35.42 ATOM 102 HA HIS 7 26.621 -9.572 6.485 1.00 40.20 ATOM 103 CB HIS 7 26.108 -7.724 7.424 1.00 75.43 ATOM 104 HB1 HIS 7 27.150 -7.440 7.366 1.00 36.75 ATOM 105 HB2 HIS 7 25.906 -8.094 8.421 1.00 75.32 ATOM 106 CG HIS 7 25.285 -6.491 7.208 1.00 22.23 ATOM 107 ND1 HIS 7 23.924 -6.523 6.993 1.00 14.22 ATOM 108 HD1 HIS 7 23.359 -7.315 6.981 1.00 24.00 ATOM 109 CD2 HIS 7 25.639 -5.185 7.177 1.00 24.25 ATOM 110 HD2 HIS 7 26.636 -4.788 7.310 1.00 33.02 ATOM 111 CE1 HIS 7 23.476 -5.290 6.838 1.00 50.44 ATOM 112 HE1 HIS 7 22.449 -5.009 6.656 1.00 0.30 ATOM 113 NE2 HIS 7 24.497 -4.459 6.945 1.00 2.04 ATOM 114 HE2 HIS 7 24.460 -3.495 6.775 1.00 36.75 ATOM 115 C HIS 7 24.507 -9.495 6.674 1.00 1.25 ATOM 116 O HIS 7 23.935 -9.333 7.753 1.00 23.41 ATOM 117 N HIS 8 24.011 -10.249 5.699 1.00 65.51 ATOM 118 HN HIS 8 24.509 -10.342 4.853 1.00 36.75 ATOM 119 CA HIS 8 22.739 -10.947 5.844 1.00 72.34 ATOM 120 HA HIS 8 22.638 -11.255 6.881 1.00 63.45 ATOM 121 CB HIS 8 21.579 -10.015 5.491 1.00 61.41 ATOM 122 HB1 HIS 8 21.607 -9.788 4.433 1.00 36.75 ATOM 123 HB2 HIS 8 21.688 -9.097 6.050 1.00 71.21 ATOM 124 CG HIS 8 20.233 -10.586 5.814 1.00 74.33 ATOM 125 ND1 HIS 8 19.933 -11.169 7.027 1.00 64.10 ATOM 126 HD1 HIS 8 20.550 -11.269 7.782 1.00 4.41 ATOM 127 CD2 HIS 8 19.102 -10.660 5.074 1.00 53.24 ATOM 128 HD2 HIS 8 18.972 -10.297 4.064 1.00 22.02 ATOM 129 CE1 HIS 8 18.677 -11.578 7.019 1.00 63.14 ATOM 130 HE1 HIS 8 18.167 -12.070 7.834 1.00 64.34 ATOM 131 NE2 HIS 8 18.150 -11.281 5.845 1.00 50.53 ATOM 132 HE2 HIS 8 17.261 -11.558 5.538 1.00 36.75 ATOM 133 C HIS 8 22.696 -12.189 4.958 1.00 24.11 ATOM 134 O HIS 8 23.080 -12.143 3.789 1.00 23.45 ATOM 135 N SER 9 22.228 -13.297 5.523 1.00 21.32 ATOM 136 HN SER 9 21.940 -13.281 6.466 1.00 36.75 ATOM 137 CA SER 9 22.140 -14.553 4.786 1.00 10.45 ATOM 138 HA SER 9 22.274 -14.351 3.729 1.00 74.42 ATOM 139 CB SER 9 23.245 -15.511 5.236 1.00 53.21 ATOM 140 HB1 SER 9 23.078 -16.492 4.808 1.00 36.75 ATOM 141 HB2 SER 9 23.238 -15.585 6.313 1.00 53.44 ATOM 142 OG SER 9 24.519 -15.052 4.818 1.00 73.32 ATOM 143 HG SER 9 24.830 -14.370 5.419 1.00 74.14 ATOM 144 C SER 9 20.775 -15.204 4.984 1.00 14.04 ATOM 145 O SER 9 20.274 -15.295 6.106 1.00 70.11 ATOM 146 N HIS 10 20.177 -15.656 3.887 1.00 52.15 ATOM 147 HN HIS 10 20.617 -15.548 3.011 1.00 36.75 ATOM 148 CA HIS 10 18.869 -16.300 3.938 1.00 0.20 ATOM 149 HA HIS 10 18.650 -16.568 4.966 1.00 1.34 ATOM 150 CB HIS 10 17.784 -15.338 3.453 1.00 10.12 ATOM 151 HB1 HIS 10 17.713 -14.514 4.148 1.00 36.75 ATOM 152 HB2 HIS 10 16.832 -15.850 3.418 1.00 4.33 ATOM 153 CG HIS 10 18.053 -14.767 2.095 1.00 0.10 ATOM 154 ND1 HIS 10 17.545 -15.313 0.935 1.00 1.30 ATOM 155 HD1 HIS 10 16.973 -16.107 0.878 1.00 5.24 ATOM 156 CD2 HIS 10 18.781 -13.690 1.715 1.00 35.45 ATOM 157 HD2 HIS 10 19.324 -13.021 2.368 1.00 11.34 ATOM 158 CE1 HIS 10 17.950 -14.598 -0.099 1.00 40.34 ATOM 159 HE1 HIS 10 17.707 -14.790 -1.134 1.00 64.51 ATOM 160 NE2 HIS 10 18.701 -13.607 0.347 1.00 12.01 ATOM 161 HE2 HIS 10 19.051 -12.873 -0.200 1.00 36.75 ATOM 162 C HIS 10 18.855 -17.569 3.092 1.00 31.41 ATOM 163 O HIS 10 19.233 -17.551 1.921 1.00 2.42 ATOM 164 N MET 11 18.417 -18.671 3.693 1.00 11.45 ATOM 165 HN MET 11 18.078 -18.606 4.615 1.00 36.75 ATOM 166 CA MET 11 18.353 -19.949 2.995 1.00 44.05 ATOM 167 HA MET 11 19.307 -20.119 2.511 1.00 61.31 ATOM 168 CB MET 11 18.091 -21.084 3.986 1.00 74.11 ATOM 169 HB1 MET 11 18.239 -22.028 3.487 1.00 36.75 ATOM 170 HB2 MET 11 17.064 -21.026 4.325 1.00 13.41 ATOM 171 CG MET 11 18.984 -21.036 5.215 1.00 32.50 ATOM 172 HG1 MET 11 18.742 -21.881 5.843 1.00 36.75 ATOM 173 HG2 MET 11 18.798 -20.127 5.762 1.00 10.03 ATOM 174 SD MET 11 20.737 -21.120 4.803 1.00 2.21 ATOM 175 CE MET 11 20.813 -22.700 3.963 1.00 11.11 ATOM 176 HE1 MET 11 20.337 -23.455 4.571 1.00 15.33 ATOM 177 HE2 MET 11 21.846 -22.970 3.799 1.00 55.33 ATOM 178 HE3 MET 11 20.305 -22.629 3.013 1.00 10.40 ATOM 179 C MET 11 17.266 -19.930 1.925 1.00 60.41 ATOM 180 O MET 11 16.283 -19.199 2.039 1.00 33.52 ATOM 181 N ALA 12 17.450 -20.739 0.886 1.00 1.41 ATOM 182 HN ALA 12 18.265 -21.296 0.846 1.00 36.75 ATOM 183 CA ALA 12 16.484 -20.816 -0.202 1.00 51.45 ATOM 184 HA ALA 12 15.494 -20.920 0.231 1.00 71.05 ATOM 185 CB ALA 12 16.505 -19.532 -1.019 1.00 1.12 ATOM 186 HB1 ALA 12 16.299 -18.692 -0.374 1.00 61.24 ATOM 187 HB2 ALA 12 15.752 -19.581 -1.793 1.00 33.32 ATOM 188 HB3 ALA 12 17.479 -19.405 -1.471 1.00 40.25 ATOM 189 C ALA 12 16.760 -22.019 -1.098 1.00 3.23 ATOM 190 O ALA 12 17.913 -22.346 -1.374 1.00 63.44 ATOM 191 N ASN 13 15.694 -22.674 -1.547 1.00 4.51 ATOM 192 HN ASN 13 14.801 -22.332 -1.326 1.00 36.75 ATOM 193 CA ASN 13 15.823 -23.842 -2.410 1.00 50.13 ATOM 194 HA ASN 13 16.818 -24.258 -2.297 1.00 72.43 ATOM 195 CB ASN 13 14.809 -24.914 -2.007 1.00 54.01 ATOM 196 HB1 ASN 13 15.045 -25.262 -1.011 1.00 36.75 ATOM 197 HB2 ASN 13 14.872 -25.748 -2.694 1.00 75.22 ATOM 198 CG ASN 13 13.384 -24.394 -2.014 1.00 1.34 ATOM 199 OD1 ASN 13 12.703 -24.431 -3.038 1.00 52.53 ATOM 200 ND2 ASN 13 12.928 -23.905 -0.866 1.00 75.33 ATOM 201 HD21 ASN 13 13.518 -23.900 -0.079 1.00 13.24 ATOM 202 HD22 ASN 13 12.009 -23.564 -0.849 1.00 53.21 ATOM 203 C ASN 13 15.623 -23.461 -3.874 1.00 73.31 ATOM 204 O ASN 13 15.079 -22.401 -4.182 1.00 62.41 ATOM 205 N GLY 14 16.066 -24.335 -4.773 1.00 53.02 ATOM 206 HN GLY 14 16.494 -25.171 -4.479 1.00 36.75 ATOM 207 CA GLY 14 15.926 -24.073 -6.194 1.00 33.03 ATOM 208 HA1 GLY 14 15.143 -23.344 -6.370 1.00 36.75 ATOM 209 HA2 GLY 14 15.643 -24.995 -6.682 1.00 14.34 ATOM 210 C GLY 14 17.210 -23.568 -6.820 1.00 5.45 ATOM 211 O GLY 14 17.430 -22.360 -6.913 1.00 71.34 ATOM 212 N ALA 15 18.063 -24.493 -7.247 1.00 74.33 ATOM 213 HN ALA 15 17.829 -25.447 -7.146 1.00 36.75 ATOM 214 CA ALA 15 19.332 -24.135 -7.867 1.00 41.24 ATOM 215 HA ALA 15 19.878 -23.506 -7.172 1.00 62.24 ATOM 216 CB ALA 15 20.170 -25.381 -8.113 1.00 51.11 ATOM 217 HB1 ALA 15 19.661 -26.031 -8.811 1.00 65.24 ATOM 218 HB2 ALA 15 20.316 -25.904 -7.179 1.00 73.43 ATOM 219 HB3 ALA 15 21.132 -25.099 -8.519 1.00 3.12 ATOM 220 C ALA 15 19.111 -23.378 -9.172 1.00 42.35 ATOM 221 O ALA 15 18.658 -23.949 -10.163 1.00 74.34 ATOM 222 N ALA 16 19.434 -22.089 -9.165 1.00 51.43 ATOM 223 HN ALA 16 19.778 -21.678 -8.337 1.00 36.75 ATOM 224 CA ALA 16 19.272 -21.254 -10.349 1.00 53.21 ATOM 225 HA ALA 16 19.342 -21.881 -11.233 1.00 23.30 ATOM 226 CB ALA 16 17.898 -20.600 -10.350 1.00 11.04 ATOM 227 HB1 ALA 16 17.807 -19.942 -9.497 1.00 63.24 ATOM 228 HB2 ALA 16 17.138 -21.365 -10.294 1.00 21.44 ATOM 229 HB3 ALA 16 17.766 -20.031 -11.260 1.00 41.42 ATOM 230 C ALA 16 20.365 -20.193 -10.427 1.00 35.12 ATOM 231 O ALA 16 20.895 -19.758 -9.406 1.00 31.25 ATOM 232 N GLY 17 20.697 -19.781 -11.646 1.00 43.14 ATOM 233 HN GLY 17 20.244 -20.158 -12.434 1.00 36.75 ATOM 234 CA GLY 17 21.726 -18.775 -11.834 1.00 42.14 ATOM 235 HA1 GLY 17 22.177 -18.926 -12.804 1.00 36.75 ATOM 236 HA2 GLY 17 22.495 -18.884 -11.077 1.00 23.34 ATOM 237 C GLY 17 21.175 -17.364 -11.775 1.00 43.01 ATOM 238 O GLY 17 21.377 -16.571 -12.695 1.00 53.24 ATOM 239 N THR 18 20.476 -17.049 -10.690 1.00 15.44 ATOM 240 HN THR 18 20.380 -17.701 -9.965 1.00 36.75 ATOM 241 CA THR 18 19.891 -15.725 -10.515 1.00 1.02 ATOM 242 HA THR 18 19.529 -15.382 -11.480 1.00 11.24 ATOM 243 CB THR 18 18.701 -15.761 -9.538 1.00 75.02 ATOM 244 HB THR 18 19.072 -15.902 -8.530 1.00 13.12 ATOM 245 OG1 THR 18 17.834 -16.854 -9.862 1.00 50.03 ATOM 246 HG1 THR 18 18.194 -17.669 -9.502 1.00 12.23 ATOM 247 CG2 THR 18 17.920 -14.456 -9.588 1.00 71.31 ATOM 248 HG21 THR 18 17.589 -14.267 -10.600 1.00 40.12 ATOM 249 HG22 THR 18 18.547 -13.642 -9.256 1.00 11.02 ATOM 250 HG23 THR 18 17.059 -14.531 -8.940 1.00 63.02 ATOM 251 C THR 18 20.926 -14.731 -10.000 1.00 52.33 ATOM 252 O THR 18 21.020 -13.606 -10.493 1.00 23.23 ATOM 253 N LYS 19 21.701 -15.152 -9.007 1.00 3.20 ATOM 254 HN LYS 19 21.553 -16.052 -8.641 1.00 36.75 ATOM 255 CA LYS 19 22.732 -14.299 -8.426 1.00 33.30 ATOM 256 HA LYS 19 22.316 -13.310 -8.276 1.00 2.30 ATOM 257 CB LYS 19 23.175 -14.852 -7.069 1.00 53.14 ATOM 258 HB1 LYS 19 22.316 -14.848 -6.412 1.00 36.75 ATOM 259 HB2 LYS 19 23.935 -14.202 -6.653 1.00 52.35 ATOM 260 CG LYS 19 23.738 -16.261 -7.141 1.00 44.51 ATOM 261 HG1 LYS 19 24.793 -16.193 -7.360 1.00 36.75 ATOM 262 HG2 LYS 19 23.251 -16.824 -7.922 1.00 23.13 ATOM 263 CD LYS 19 23.549 -17.004 -5.830 1.00 24.24 ATOM 264 HD1 LYS 19 23.565 -18.065 -6.033 1.00 36.75 ATOM 265 HD2 LYS 19 22.597 -16.742 -5.387 1.00 73.11 ATOM 266 CE LYS 19 24.661 -16.684 -4.842 1.00 61.01 ATOM 267 HE1 LYS 19 24.653 -15.622 -4.638 1.00 36.75 ATOM 268 HE2 LYS 19 25.610 -16.959 -5.280 1.00 30.31 ATOM 269 NZ LYS 19 24.494 -17.422 -3.560 1.00 34.42 ATOM 270 HZ1 LYS 19 24.508 -18.450 -3.729 1.00 13.03 ATOM 271 HZ2 LYS 19 23.590 -17.168 -3.110 1.00 34.15 ATOM 272 HZ3 LYS 19 25.269 -17.181 -2.909 1.00 71.24 ATOM 273 C LYS 19 23.934 -14.187 -9.358 1.00 10.30 ATOM 274 O LYS 19 24.587 -13.145 -9.422 1.00 21.10 ATOM 275 N VAL 20 24.220 -15.265 -10.080 1.00 61.25 ATOM 276 HN VAL 20 23.673 -16.079 -9.990 1.00 36.75 ATOM 277 CA VAL 20 25.342 -15.286 -11.011 1.00 63.31 ATOM 278 HA VAL 20 26.033 -14.491 -10.747 1.00 2.30 ATOM 279 CB VAL 20 26.107 -16.621 -10.938 1.00 71.33 ATOM 280 HB VAL 20 25.495 -17.400 -11.377 1.00 24.13 ATOM 281 CG1 VAL 20 27.405 -16.537 -11.727 1.00 32.21 ATOM 282 HG11 VAL 20 27.231 -16.217 -12.739 1.00 52.04 ATOM 283 HG12 VAL 20 27.871 -17.512 -11.745 1.00 74.35 ATOM 284 HG13 VAL 20 28.067 -15.844 -11.240 1.00 44.22 ATOM 285 CG2 VAL 20 26.377 -17.002 -9.490 1.00 51.24 ATOM 286 HG21 VAL 20 25.449 -17.279 -9.021 1.00 10.50 ATOM 287 HG22 VAL 20 26.816 -16.167 -8.961 1.00 73.41 ATOM 288 HG23 VAL 20 27.055 -17.845 -9.452 1.00 2.55 ATOM 289 C VAL 20 24.872 -15.060 -12.444 1.00 4.23 ATOM 290 O VAL 20 25.072 -15.906 -13.314 1.00 71.42 ATOM 291 N ALA 21 24.248 -13.911 -12.681 1.00 75.20 ATOM 292 HN ALA 21 24.127 -13.266 -11.944 1.00 36.75 ATOM 293 CA ALA 21 23.751 -13.572 -14.009 1.00 2.32 ATOM 294 HA ALA 21 23.136 -14.391 -14.363 1.00 43.12 ATOM 295 CB ALA 21 22.877 -12.328 -13.943 1.00 72.35 ATOM 296 HB1 ALA 21 23.467 -11.485 -13.611 1.00 54.30 ATOM 297 HB2 ALA 21 22.069 -12.495 -13.246 1.00 0.04 ATOM 298 HB3 ALA 21 22.467 -12.118 -14.921 1.00 12.43 ATOM 299 C ALA 21 24.901 -13.361 -14.988 1.00 5.04 ATOM 300 O ALA 21 24.840 -13.798 -16.138 1.00 13.14 ATOM 301 N LEU 22 25.950 -12.689 -14.525 1.00 52.21 ATOM 302 HN LEU 22 25.935 -12.336 -13.613 1.00 36.75 ATOM 303 CA LEU 22 27.115 -12.419 -15.361 1.00 30.35 ATOM 304 HA LEU 22 27.097 -13.073 -16.224 1.00 32.24 ATOM 305 CB LEU 22 27.095 -10.969 -15.846 1.00 14.21 ATOM 306 HB1 LEU 22 27.908 -10.836 -16.550 1.00 36.75 ATOM 307 HB2 LEU 22 27.280 -10.328 -14.990 1.00 71.33 ATOM 308 CG LEU 22 25.800 -10.502 -16.513 1.00 21.32 ATOM 309 HG LEU 22 24.974 -10.666 -15.836 1.00 12.31 ATOM 310 CD1 LEU 22 25.864 -9.014 -16.821 1.00 25.40 ATOM 311 HD11 LEU 22 26.678 -8.817 -17.505 1.00 44.21 ATOM 312 HD12 LEU 22 26.024 -8.461 -15.906 1.00 61.41 ATOM 313 HD13 LEU 22 24.933 -8.696 -17.270 1.00 5.52 ATOM 314 CD2 LEU 22 25.536 -11.301 -17.781 1.00 51.52 ATOM 315 HD21 LEU 22 24.576 -11.020 -18.189 1.00 0.12 ATOM 316 HD22 LEU 22 25.535 -12.351 -17.573 1.00 42.44 ATOM 317 HD23 LEU 22 26.305 -11.087 -18.510 1.00 73.50 ATOM 318 C LEU 22 28.407 -12.694 -14.598 1.00 20.21 ATOM 319 O LEU 22 29.481 -12.241 -14.993 1.00 42.41 ATOM 320 N ARG 23 28.295 -13.441 -13.505 1.00 22.54 ATOM 321 HN ARG 23 27.429 -13.809 -13.236 1.00 36.75 ATOM 322 CA ARG 23 29.455 -13.778 -12.687 1.00 53.13 ATOM 323 HA ARG 23 29.120 -14.407 -11.888 1.00 11.25 ATOM 324 CB ARG 23 30.499 -14.518 -13.525 1.00 74.24 ATOM 325 HB1 ARG 23 31.163 -13.804 -14.001 1.00 36.75 ATOM 326 HB2 ARG 23 29.987 -15.076 -14.300 1.00 61.22 ATOM 327 CG ARG 23 31.330 -15.509 -12.727 1.00 12.12 ATOM 328 HG1 ARG 23 30.734 -16.388 -12.532 1.00 36.75 ATOM 329 HG2 ARG 23 31.626 -15.057 -11.790 1.00 1.22 ATOM 330 CD ARG 23 32.584 -15.921 -13.482 1.00 54.23 ATOM 331 HD1 ARG 23 33.092 -15.033 -13.838 1.00 36.75 ATOM 332 HD2 ARG 23 32.295 -16.530 -14.326 1.00 54.11 ATOM 333 NE ARG 23 33.504 -16.681 -12.641 1.00 63.14 ATOM 334 HE ARG 23 33.252 -16.833 -11.700 1.00 32.45 ATOM 335 CZ ARG 23 34.658 -17.176 -13.076 1.00 31.11 ATOM 336 NH1 ARG 23 35.030 -16.991 -14.335 1.00 22.41 ATOM 337 HH11 ARG 23 34.458 -16.482 -14.976 1.00 51.31 ATOM 338 HH12 ARG 23 35.902 -17.368 -14.655 1.00 70.22 ATOM 339 NH2 ARG 23 35.442 -17.857 -12.250 1.00 70.30 ATOM 340 HH21 ARG 23 35.167 -18.000 -11.297 1.00 73.42 ATOM 341 HH22 ARG 23 36.313 -18.232 -12.575 1.00 33.52 ATOM 342 C ARG 23 30.073 -12.523 -12.078 1.00 12.02 ATOM 343 O ARG 23 31.292 -12.353 -12.083 1.00 2.21 ATOM 344 N LYS 24 29.223 -11.646 -11.554 1.00 23.14 ATOM 345 HN LYS 24 28.272 -11.875 -11.530 1.00 36.75 ATOM 346 CA LYS 24 29.684 -10.407 -10.939 1.00 43.34 ATOM 347 HA LYS 24 30.281 -9.871 -11.665 1.00 1.31 ATOM 348 CB LYS 24 28.491 -9.534 -10.545 1.00 34.12 ATOM 349 HB1 LYS 24 28.863 -8.546 -10.315 1.00 36.75 ATOM 350 HB2 LYS 24 28.020 -9.931 -9.656 1.00 23.23 ATOM 351 CG LYS 24 27.453 -9.390 -11.644 1.00 74.13 ATOM 352 HG1 LYS 24 27.899 -9.627 -12.603 1.00 36.75 ATOM 353 HG2 LYS 24 27.121 -8.361 -11.660 1.00 53.33 ATOM 354 CD LYS 24 26.266 -10.311 -11.415 1.00 70.20 ATOM 355 HD1 LYS 24 26.327 -10.784 -10.443 1.00 36.75 ATOM 356 HD2 LYS 24 26.274 -11.068 -12.172 1.00 53.13 ATOM 357 CE LYS 24 24.949 -9.555 -11.502 1.00 31.45 ATOM 358 HE1 LYS 24 24.157 -10.268 -11.678 1.00 36.75 ATOM 359 HE2 LYS 24 24.984 -8.855 -12.327 1.00 73.53 ATOM 360 NZ LYS 24 24.652 -8.813 -10.245 1.00 74.31 ATOM 361 HZ1 LYS 24 24.585 -9.473 -9.442 1.00 35.14 ATOM 362 HZ2 LYS 24 23.747 -8.309 -10.336 1.00 33.24 ATOM 363 HZ3 LYS 24 25.402 -8.118 -10.049 1.00 14.15 ATOM 364 C LYS 24 30.545 -10.694 -9.713 1.00 74.31 ATOM 365 O LYS 24 31.726 -10.347 -9.674 1.00 74.25 ATOM 366 N THR 25 29.946 -11.332 -8.712 1.00 71.31 ATOM 367 HN THR 25 29.004 -11.602 -8.806 1.00 36.75 ATOM 368 CA THR 25 30.657 -11.667 -7.485 1.00 2.02 ATOM 369 HA THR 25 31.209 -10.793 -7.158 1.00 13.20 ATOM 370 CB THR 25 29.682 -12.060 -6.359 1.00 73.04 ATOM 371 HB THR 25 28.926 -11.292 -6.274 1.00 72.54 ATOM 372 OG1 THR 25 30.385 -12.165 -5.116 1.00 73.54 ATOM 373 HG1 THR 25 29.775 -12.023 -4.387 1.00 63.21 ATOM 374 CG2 THR 25 28.997 -13.381 -6.674 1.00 74.31 ATOM 375 HG21 THR 25 28.663 -13.398 -7.702 1.00 51.13 ATOM 376 HG22 THR 25 28.142 -13.497 -6.025 1.00 54.34 ATOM 377 HG23 THR 25 29.682 -14.198 -6.503 1.00 14.32 ATOM 378 C THR 25 31.639 -12.810 -7.713 1.00 23.41 ATOM 379 O THR 25 31.707 -13.377 -8.804 1.00 53.41 ATOM 380 N LYS 26 32.400 -13.147 -6.676 1.00 54.45 ATOM 381 HN LYS 26 32.302 -12.665 -5.821 1.00 36.75 ATOM 382 CA LYS 26 33.378 -14.225 -6.762 1.00 53.52 ATOM 383 HA LYS 26 33.531 -14.489 -7.802 1.00 13.30 ATOM 384 CB LYS 26 34.719 -13.771 -6.182 1.00 22.01 ATOM 385 HB1 LYS 26 35.459 -14.494 -6.444 1.00 36.75 ATOM 386 HB2 LYS 26 34.642 -13.723 -5.102 1.00 61.25 ATOM 387 CG LYS 26 35.164 -12.405 -6.674 1.00 1.30 ATOM 388 HG1 LYS 26 35.006 -11.679 -5.893 1.00 36.75 ATOM 389 HG2 LYS 26 34.578 -12.122 -7.541 1.00 53.53 ATOM 390 CD LYS 26 36.627 -12.409 -7.085 1.00 71.22 ATOM 391 HD1 LYS 26 36.845 -11.473 -7.579 1.00 36.75 ATOM 392 HD2 LYS 26 36.809 -13.220 -7.771 1.00 43.13 ATOM 393 CE LYS 26 37.544 -12.544 -5.880 1.00 4.14 ATOM 394 HE1 LYS 26 38.569 -12.489 -6.216 1.00 36.75 ATOM 395 HE2 LYS 26 37.370 -13.501 -5.412 1.00 15.41 ATOM 396 NZ LYS 26 37.304 -11.469 -4.877 1.00 22.30 ATOM 397 HZ1 LYS 26 38.100 -11.430 -4.208 1.00 23.14 ATOM 398 HZ2 LYS 26 36.436 -11.663 -4.341 1.00 1.11 ATOM 399 HZ3 LYS 26 37.215 -10.539 -5.341 1.00 22.14 ATOM 400 C LYS 26 32.886 -15.465 -6.024 1.00 70.40 ATOM 401 O LYS 26 31.732 -15.530 -5.601 1.00 40.32 ATOM 402 N GLN 27 33.769 -16.447 -5.872 1.00 42.11 ATOM 403 HN GLN 27 34.647 -16.374 -6.287 1.00 36.75 ATOM 404 CA GLN 27 33.424 -17.685 -5.184 1.00 34.11 ATOM 405 HA GLN 27 32.594 -17.498 -4.513 1.00 61.35 ATOM 406 CB GLN 27 33.005 -18.755 -6.194 1.00 24.11 ATOM 407 HB1 GLN 27 32.030 -18.490 -6.580 1.00 36.75 ATOM 408 HB2 GLN 27 32.932 -19.715 -5.698 1.00 63.12 ATOM 409 CG GLN 27 33.962 -18.891 -7.368 1.00 12.43 ATOM 410 HG1 GLN 27 34.889 -19.307 -7.016 1.00 36.75 ATOM 411 HG2 GLN 27 34.144 -17.923 -7.808 1.00 32.44 ATOM 412 CD GLN 27 33.432 -19.812 -8.449 1.00 11.21 ATOM 413 OE1 GLN 27 33.851 -20.964 -8.559 1.00 64.30 ATOM 414 NE2 GLN 27 32.504 -19.308 -9.254 1.00 44.34 ATOM 415 HE21 GLN 27 32.205 -18.380 -9.119 1.00 42.11 ATOM 416 HE22 GLN 27 32.149 -19.888 -9.959 1.00 41.43 ATOM 417 C GLN 27 34.596 -18.189 -4.348 1.00 14.52 ATOM 418 O GLN 27 34.437 -18.512 -3.171 1.00 63.42 ATOM 419 N ALA 28 35.771 -18.252 -4.964 1.00 5.11 ATOM 420 HN ALA 28 35.848 -17.977 -5.894 1.00 36.75 ATOM 421 CA ALA 28 36.970 -18.714 -4.276 1.00 24.41 ATOM 422 HA ALA 28 37.087 -18.123 -3.374 1.00 74.01 ATOM 423 CB ALA 28 36.813 -20.170 -3.862 1.00 61.11 ATOM 424 HB1 ALA 28 37.728 -20.521 -3.404 1.00 71.10 ATOM 425 HB2 ALA 28 36.593 -20.769 -4.732 1.00 33.13 ATOM 426 HB3 ALA 28 36.006 -20.263 -3.154 1.00 63.04 ATOM 427 C ALA 28 38.207 -18.542 -5.152 1.00 32.04 ATOM 428 O ALA 28 38.208 -18.921 -6.322 1.00 74.42 ATOM 429 N ALA 29 39.258 -17.967 -4.577 1.00 11.23 ATOM 430 HN ALA 29 39.197 -17.682 -3.633 1.00 36.75 ATOM 431 CA ALA 29 40.501 -17.746 -5.305 1.00 0.51 ATOM 432 HA ALA 29 40.306 -17.064 -6.110 1.00 55.21 ATOM 433 CB ALA 29 41.538 -17.102 -4.396 1.00 32.20 ATOM 434 HB1 ALA 29 42.435 -16.889 -4.960 1.00 45.31 ATOM 435 HB2 ALA 29 41.775 -17.772 -3.581 1.00 54.10 ATOM 436 HB3 ALA 29 41.140 -16.181 -3.997 1.00 42.55 ATOM 437 C ALA 29 41.038 -19.050 -5.883 1.00 24.31 ATOM 438 O ALA 29 41.831 -19.042 -6.824 1.00 22.31 ATOM 439 N GLU 30 40.602 -20.169 -5.313 1.00 33.12 ATOM 440 HN GLU 30 40.031 -20.129 -4.517 1.00 36.75 ATOM 441 CA GLU 30 41.041 -21.481 -5.772 1.00 22.52 ATOM 442 HA GLU 30 42.120 -21.518 -5.703 1.00 60.33 ATOM 443 CB GLU 30 40.454 -22.580 -4.883 1.00 61.13 ATOM 444 HB1 GLU 30 40.758 -22.378 -3.867 1.00 36.75 ATOM 445 HB2 GLU 30 40.864 -23.534 -5.188 1.00 1.50 ATOM 446 CG GLU 30 38.939 -22.669 -4.946 1.00 15.40 ATOM 447 HG1 GLU 30 38.663 -23.285 -5.789 1.00 36.75 ATOM 448 HG2 GLU 30 38.531 -21.689 -5.074 1.00 74.55 ATOM 449 CD GLU 30 38.337 -23.273 -3.692 1.00 60.22 ATOM 450 OE1 GLU 30 37.261 -23.900 -3.792 1.00 5.40 ATOM 451 OE2 GLU 30 38.943 -23.120 -2.611 1.00 11.21 ATOM 452 C GLU 30 40.634 -21.715 -7.224 1.00 11.42 ATOM 453 O GLU 30 41.423 -22.207 -8.031 1.00 14.01 ATOM 454 N LYS 31 39.396 -21.358 -7.549 1.00 41.34 ATOM 455 HN LYS 31 38.822 -20.915 -6.889 1.00 36.75 ATOM 456 CA LYS 31 38.882 -21.526 -8.903 1.00 73.23 ATOM 457 HA LYS 31 39.413 -22.347 -9.375 1.00 64.04 ATOM 458 CB LYS 31 37.389 -21.863 -8.866 1.00 3.13 ATOM 459 HB1 LYS 31 36.816 -20.950 -8.760 1.00 36.75 ATOM 460 HB2 LYS 31 37.191 -22.487 -8.002 1.00 32.50 ATOM 461 CG LYS 31 36.897 -22.585 -10.108 1.00 42.21 ATOM 462 HG1 LYS 31 37.377 -22.158 -10.982 1.00 36.75 ATOM 463 HG2 LYS 31 35.828 -22.446 -10.185 1.00 54.41 ATOM 464 CD LYS 31 37.189 -24.074 -10.040 1.00 32.42 ATOM 465 HD1 LYS 31 36.421 -24.554 -9.451 1.00 36.75 ATOM 466 HD2 LYS 31 38.154 -24.236 -9.576 1.00 31.35 ATOM 467 CE LYS 31 37.214 -24.702 -11.425 1.00 52.43 ATOM 468 HE1 LYS 31 37.738 -25.645 -11.363 1.00 36.75 ATOM 469 HE2 LYS 31 37.739 -24.050 -12.111 1.00 52.33 ATOM 470 NZ LYS 31 35.841 -24.953 -11.945 1.00 61.11 ATOM 471 HZ1 LYS 31 35.310 -24.059 -12.013 1.00 44.41 ATOM 472 HZ2 LYS 31 35.327 -25.602 -11.314 1.00 4.22 ATOM 473 HZ3 LYS 31 35.893 -25.382 -12.891 1.00 0.42 ATOM 474 C LYS 31 39.109 -20.266 -9.732 1.00 74.13 ATOM 475 O LYS 31 39.336 -20.340 -10.940 1.00 43.52 ATOM 476 N ILE 32 39.046 -19.112 -9.076 1.00 64.50 ATOM 477 HN ILE 32 38.866 -19.112 -8.109 1.00 36.75 ATOM 478 CA ILE 32 39.248 -17.837 -9.753 1.00 31.41 ATOM 479 HA ILE 32 38.503 -17.756 -10.539 1.00 14.33 ATOM 480 CB ILE 32 39.061 -16.652 -8.788 1.00 12.14 ATOM 481 HB ILE 32 39.792 -16.745 -8.004 1.00 33.24 ATOM 482 CG1 ILE 32 37.654 -16.673 -8.186 1.00 41.00 ATOM 483 HG11 ILE 32 37.306 -17.683 -8.057 1.00 36.75 ATOM 484 HG12 ILE 32 36.969 -16.164 -8.852 1.00 21.55 ATOM 485 CG2 ILE 32 39.315 -15.337 -9.509 1.00 13.43 ATOM 486 HG21 ILE 32 38.698 -15.279 -10.396 1.00 64.40 ATOM 487 HG22 ILE 32 40.349 -15.265 -9.786 1.00 64.52 ATOM 488 HG23 ILE 32 39.072 -14.511 -8.854 1.00 2.41 ATOM 489 CD1 ILE 32 37.562 -15.988 -6.841 1.00 10.15 ATOM 490 HD11 ILE 32 37.518 -14.942 -7.005 1.00 5.43 ATOM 491 HD12 ILE 32 38.427 -16.204 -6.249 1.00 53.32 ATOM 492 HD13 ILE 32 36.685 -16.302 -6.326 1.00 75.52 ATOM 493 C ILE 32 40.638 -17.758 -10.374 1.00 24.22 ATOM 494 O ILE 32 41.613 -18.246 -9.802 1.00 64.02 ATOM 495 N SER 33 40.722 -17.139 -11.547 1.00 3.32 ATOM 496 HN SER 33 39.905 -16.778 -11.965 1.00 36.75 ATOM 497 CA SER 33 41.993 -16.997 -12.247 1.00 45.21 ATOM 498 HA SER 33 42.726 -17.656 -11.796 1.00 62.21 ATOM 499 CB SER 33 41.836 -17.389 -13.717 1.00 64.25 ATOM 500 HB1 SER 33 41.560 -16.527 -14.313 1.00 36.75 ATOM 501 HB2 SER 33 41.063 -18.141 -13.807 1.00 11.10 ATOM 502 OG SER 33 43.040 -17.934 -14.231 1.00 54.43 ATOM 503 HG SER 33 43.643 -17.223 -14.463 1.00 72.40 ATOM 504 C SER 33 42.514 -15.566 -12.143 1.00 61.55 ATOM 505 O SER 33 43.718 -15.325 -12.225 1.00 70.13 ATOM 506 N ALA 34 41.597 -14.621 -11.963 1.00 22.51 ATOM 507 HN ALA 34 40.645 -14.858 -11.937 1.00 36.75 ATOM 508 CA ALA 34 41.962 -13.215 -11.846 1.00 24.20 ATOM 509 HA ALA 34 42.336 -12.886 -12.805 1.00 74.24 ATOM 510 CB ALA 34 40.738 -12.378 -11.508 1.00 33.23 ATOM 511 HB1 ALA 34 41.008 -11.332 -11.481 1.00 0.12 ATOM 512 HB2 ALA 34 40.348 -12.675 -10.544 1.00 24.11 ATOM 513 HB3 ALA 34 39.981 -12.532 -12.263 1.00 62.20 ATOM 514 C ALA 34 43.049 -13.016 -10.795 1.00 13.35 ATOM 515 O ALA 34 44.016 -12.288 -11.018 1.00 10.40 ATOM 516 N ASP 35 42.882 -13.666 -9.648 1.00 43.11 ATOM 517 HN ASP 35 42.090 -14.230 -9.523 1.00 36.75 ATOM 518 CA ASP 35 43.849 -13.560 -8.562 1.00 23.13 ATOM 519 HA ASP 35 44.060 -12.510 -8.398 1.00 54.41 ATOM 520 CB ASP 35 43.271 -14.152 -7.276 1.00 34.32 ATOM 521 HB1 ASP 35 43.093 -15.210 -7.415 1.00 36.75 ATOM 522 HB2 ASP 35 42.335 -13.662 -7.054 1.00 20.05 ATOM 523 CG ASP 35 44.195 -13.971 -6.088 1.00 13.23 ATOM 524 OD1 ASP 35 44.148 -12.893 -5.458 1.00 75.11 ATOM 525 OD2 ASP 35 44.964 -14.907 -5.787 1.00 4.21 ATOM 526 C ASP 35 45.151 -14.269 -8.922 1.00 2.00 ATOM 527 O ASP 35 46.219 -13.924 -8.417 1.00 4.35 ATOM 528 N LYS 36 45.055 -15.263 -9.798 1.00 74.04 ATOM 529 HN LYS 36 44.179 -15.523 -10.141 1.00 36.75 ATOM 530 CA LYS 36 46.224 -16.022 -10.227 1.00 55.45 ATOM 531 HA LYS 36 46.813 -16.270 -9.352 1.00 34.53 ATOM 532 CB LYS 36 45.791 -17.322 -10.908 1.00 63.32 ATOM 533 HB1 LYS 36 45.084 -17.099 -11.687 1.00 36.75 ATOM 534 HB2 LYS 36 45.302 -17.941 -10.169 1.00 62.44 ATOM 535 CG LYS 36 46.947 -18.119 -11.488 1.00 44.42 ATOM 536 HG1 LYS 36 46.716 -19.171 -11.378 1.00 36.75 ATOM 537 HG2 LYS 36 47.857 -17.896 -10.944 1.00 50.32 ATOM 538 CD LYS 36 47.162 -17.799 -12.958 1.00 64.41 ATOM 539 HD1 LYS 36 47.889 -17.011 -13.048 1.00 36.75 ATOM 540 HD2 LYS 36 46.233 -17.485 -13.415 1.00 54.23 ATOM 541 CE LYS 36 47.678 -19.010 -13.722 1.00 13.33 ATOM 542 HE1 LYS 36 46.895 -19.753 -13.765 1.00 36.75 ATOM 543 HE2 LYS 36 48.535 -19.420 -13.203 1.00 1.45 ATOM 544 NZ LYS 36 48.087 -18.657 -15.109 1.00 50.04 ATOM 545 HZ1 LYS 36 47.277 -18.271 -15.638 1.00 44.14 ATOM 546 HZ2 LYS 36 48.433 -19.504 -15.603 1.00 63.00 ATOM 547 HZ3 LYS 36 48.849 -17.947 -15.092 1.00 51.33 ATOM 548 C LYS 36 47.086 -15.199 -11.180 1.00 22.54 ATOM 549 O LYS 36 48.281 -15.458 -11.329 1.00 72.04 ATOM 550 N ILE 37 46.474 -14.209 -11.819 1.00 42.41 ATOM 551 HN ILE 37 45.526 -14.041 -11.646 1.00 36.75 ATOM 552 CA ILE 37 47.188 -13.348 -12.754 1.00 53.31 ATOM 553 HA ILE 37 47.527 -13.964 -13.574 1.00 52.22 ATOM 554 CB ILE 37 46.275 -12.236 -13.305 1.00 72.52 ATOM 555 HB ILE 37 46.008 -11.574 -12.492 1.00 22.44 ATOM 556 CG1 ILE 37 44.996 -12.840 -13.890 1.00 10.03 ATOM 557 HG11 ILE 37 44.393 -12.050 -14.318 1.00 36.75 ATOM 558 HG12 ILE 37 44.437 -13.316 -13.121 1.00 40.12 ATOM 559 CG2 ILE 37 47.010 -11.420 -14.357 1.00 44.22 ATOM 560 HG21 ILE 37 47.745 -10.795 -13.884 1.00 1.30 ATOM 561 HG22 ILE 37 46.311 -10.802 -14.898 1.00 31.24 ATOM 562 HG23 ILE 37 47.506 -12.081 -15.052 1.00 4.02 ATOM 563 CD1 ILE 37 45.251 -13.861 -14.976 1.00 24.10 ATOM 564 HD11 ILE 37 44.731 -13.559 -15.874 1.00 23.33 ATOM 565 HD12 ILE 37 44.870 -14.820 -14.657 1.00 73.14 ATOM 566 HD13 ILE 37 46.301 -13.957 -15.191 1.00 73.35 ATOM 567 C ILE 37 48.405 -12.709 -12.094 1.00 62.32 ATOM 568 O ILE 37 48.394 -12.417 -10.899 1.00 0.44 ATOM 569 N SER 38 49.454 -12.494 -12.882 1.00 71.31 ATOM 570 HN SER 38 49.410 -12.753 -13.829 1.00 36.75 ATOM 571 CA SER 38 50.681 -11.892 -12.374 1.00 51.12 ATOM 572 HA SER 38 50.483 -11.444 -11.406 1.00 24.01 ATOM 573 CB SER 38 51.764 -12.958 -12.201 1.00 31.53 ATOM 574 HB1 SER 38 52.449 -12.648 -11.426 1.00 36.75 ATOM 575 HB2 SER 38 52.308 -13.095 -13.128 1.00 3.24 ATOM 576 OG SER 38 51.198 -14.205 -11.833 1.00 42.32 ATOM 577 HG SER 38 51.872 -14.887 -11.874 1.00 23.01 ATOM 578 C SER 38 51.177 -10.796 -13.312 1.00 55.52 ATOM 579 O SER 38 50.969 -10.858 -14.524 1.00 51.22 ATOM 580 N LYS 39 51.833 -9.791 -12.743 1.00 4.33 ATOM 581 HN LYS 39 51.963 -9.794 -11.764 1.00 36.75 ATOM 582 CA LYS 39 52.361 -8.680 -13.525 1.00 50.55 ATOM 583 HA LYS 39 51.521 -8.127 -13.921 1.00 65.44 ATOM 584 CB LYS 39 53.196 -7.754 -12.637 1.00 73.13 ATOM 585 HB1 LYS 39 54.091 -8.281 -12.327 1.00 36.75 ATOM 586 HB2 LYS 39 52.615 -7.510 -11.758 1.00 51.34 ATOM 587 CG LYS 39 53.589 -6.453 -13.315 1.00 12.33 ATOM 588 HG1 LYS 39 52.858 -5.705 -13.047 1.00 36.75 ATOM 589 HG2 LYS 39 53.602 -6.573 -14.390 1.00 11.12 ATOM 590 CD LYS 39 54.962 -5.983 -12.866 1.00 3.14 ATOM 591 HD1 LYS 39 55.711 -6.615 -13.320 1.00 36.75 ATOM 592 HD2 LYS 39 55.035 -6.056 -11.788 1.00 24.13 ATOM 593 CE LYS 39 55.221 -4.542 -13.279 1.00 64.30 ATOM 594 HE1 LYS 39 54.718 -4.330 -14.212 1.00 36.75 ATOM 595 HE2 LYS 39 56.284 -4.411 -13.414 1.00 70.35 ATOM 596 NZ LYS 39 54.751 -3.576 -12.248 1.00 22.21 ATOM 597 HZ1 LYS 39 55.267 -3.722 -11.355 1.00 64.40 ATOM 598 HZ2 LYS 39 53.733 -3.700 -12.070 1.00 23.45 ATOM 599 HZ3 LYS 39 54.916 -2.602 -12.573 1.00 44.50 ATOM 600 C LYS 39 53.209 -9.187 -14.688 1.00 13.23 ATOM 601 O LYS 39 53.103 -8.689 -15.808 1.00 13.01 ATOM 602 N GLU 40 54.048 -10.180 -14.413 1.00 30.43 ATOM 603 HN GLU 40 54.108 -10.508 -13.489 1.00 36.75 ATOM 604 CA GLU 40 54.913 -10.755 -15.437 1.00 13.51 ATOM 605 HA GLU 40 55.449 -9.948 -15.921 1.00 3.13 ATOM 606 CB GLU 40 55.929 -11.707 -14.803 1.00 11.32 ATOM 607 HB1 GLU 40 56.552 -11.139 -14.126 1.00 36.75 ATOM 608 HB2 GLU 40 56.553 -12.130 -15.579 1.00 1.54 ATOM 609 CG GLU 40 55.292 -12.845 -14.024 1.00 23.41 ATOM 610 HG1 GLU 40 54.734 -13.467 -14.706 1.00 36.75 ATOM 611 HG2 GLU 40 54.626 -12.444 -13.279 1.00 41.41 ATOM 612 CD GLU 40 56.316 -13.716 -13.322 1.00 3.13 ATOM 613 OE1 GLU 40 56.627 -14.806 -13.844 1.00 63.45 ATOM 614 OE2 GLU 40 56.807 -13.306 -12.249 1.00 12.22 ATOM 615 C GLU 40 54.092 -11.496 -16.489 1.00 4.43 ATOM 616 O GLU 40 54.410 -11.460 -17.677 1.00 71.21 ATOM 617 N ALA 41 53.036 -12.167 -16.042 1.00 10.12 ATOM 618 HN ALA 41 52.831 -12.169 -15.078 1.00 36.75 ATOM 619 CA ALA 41 52.169 -12.915 -16.943 1.00 60.34 ATOM 620 HA ALA 41 52.779 -13.600 -17.510 1.00 54.30 ATOM 621 CB ALA 41 51.166 -13.739 -16.149 1.00 25.02 ATOM 622 HB1 ALA 41 50.493 -13.081 -15.622 1.00 14.21 ATOM 623 HB2 ALA 41 51.693 -14.357 -15.437 1.00 12.45 ATOM 624 HB3 ALA 41 50.601 -14.369 -16.822 1.00 22.40 ATOM 625 C ALA 41 51.444 -11.983 -17.908 1.00 1.21 ATOM 626 O ALA 41 51.252 -12.312 -19.079 1.00 42.44 ATOM 627 N LEU 42 51.043 -10.819 -17.409 1.00 14.02 ATOM 628 HN LEU 42 51.218 -10.607 -16.462 1.00 36.75 ATOM 629 CA LEU 42 50.338 -9.838 -18.227 1.00 35.23 ATOM 630 HA LEU 42 49.607 -10.358 -18.834 1.00 44.30 ATOM 631 CB LEU 42 49.604 -8.834 -17.335 1.00 64.24 ATOM 632 HB1 LEU 42 50.335 -8.340 -16.706 1.00 36.75 ATOM 633 HB2 LEU 42 48.951 -9.410 -16.689 1.00 13.30 ATOM 634 CG LEU 42 48.771 -7.777 -18.060 1.00 53.11 ATOM 635 HG LEU 42 48.417 -8.176 -19.002 1.00 13.03 ATOM 636 CD1 LEU 42 47.550 -7.402 -17.234 1.00 51.34 ATOM 637 HD11 LEU 42 46.878 -6.842 -17.850 1.00 65.22 ATOM 638 HD12 LEU 42 47.844 -6.806 -16.380 1.00 11.35 ATOM 639 HD13 LEU 42 47.048 -8.298 -16.889 1.00 30.11 ATOM 640 CD2 LEU 42 49.614 -6.546 -18.359 1.00 54.21 ATOM 641 HD21 LEU 42 50.340 -6.769 -19.119 1.00 52.42 ATOM 642 HD22 LEU 42 50.123 -6.220 -17.462 1.00 2.40 ATOM 643 HD23 LEU 42 48.975 -5.745 -18.712 1.00 53.24 ATOM 644 C LEU 42 51.304 -9.104 -19.151 1.00 31.21 ATOM 645 O LEU 42 50.994 -8.850 -20.315 1.00 53.35 ATOM 646 N LEU 43 52.477 -8.768 -18.625 1.00 73.24 ATOM 647 HN LEU 43 52.670 -8.990 -17.683 1.00 36.75 ATOM 648 CA LEU 43 53.491 -8.065 -19.404 1.00 33.33 ATOM 649 HA LEU 43 53.025 -7.219 -19.882 1.00 1.21 ATOM 650 CB LEU 43 54.619 -7.582 -18.490 1.00 54.25 ATOM 651 HB1 LEU 43 55.468 -7.305 -19.108 1.00 36.75 ATOM 652 HB2 LEU 43 54.916 -8.412 -17.862 1.00 54.22 ATOM 653 CG LEU 43 54.288 -6.393 -17.587 1.00 72.30 ATOM 654 HG LEU 43 53.484 -6.662 -16.923 1.00 32.41 ATOM 655 CD1 LEU 43 55.492 -6.017 -16.738 1.00 30.13 ATOM 656 HD11 LEU 43 55.771 -6.855 -16.115 1.00 10.24 ATOM 657 HD12 LEU 43 55.245 -5.175 -16.111 1.00 21.13 ATOM 658 HD13 LEU 43 56.323 -5.754 -17.378 1.00 13.32 ATOM 659 CD2 LEU 43 53.826 -5.205 -18.417 1.00 41.52 ATOM 660 HD21 LEU 43 52.881 -5.432 -18.884 1.00 61.42 ATOM 661 HD22 LEU 43 54.560 -4.980 -19.179 1.00 54.54 ATOM 662 HD23 LEU 43 53.702 -4.340 -17.778 1.00 32.41 ATOM 663 C LEU 43 54.057 -8.964 -20.498 1.00 61.12 ATOM 664 O LEU 43 54.132 -8.569 -21.661 1.00 73.53 ATOM 665 N GLU 44 54.453 -10.175 -20.117 1.00 12.30 ATOM 666 HN GLU 44 54.372 -10.432 -19.169 1.00 36.75 ATOM 667 CA GLU 44 55.011 -11.130 -21.067 1.00 50.41 ATOM 668 HA GLU 44 55.917 -10.705 -21.477 1.00 41.24 ATOM 669 CB GLU 44 55.358 -12.442 -20.361 1.00 51.00 ATOM 670 HB1 GLU 44 55.892 -12.220 -19.449 1.00 36.75 ATOM 671 HB2 GLU 44 56.002 -13.020 -21.010 1.00 23.22 ATOM 672 CG GLU 44 54.143 -13.289 -20.019 1.00 4.52 ATOM 673 HG1 GLU 44 53.615 -13.543 -20.925 1.00 36.75 ATOM 674 HG2 GLU 44 53.504 -12.730 -19.383 1.00 23.34 ATOM 675 CD GLU 44 54.513 -14.584 -19.323 1.00 73.33 ATOM 676 OE1 GLU 44 55.713 -14.787 -19.043 1.00 55.11 ATOM 677 OE2 GLU 44 53.601 -15.396 -19.059 1.00 51.20 ATOM 678 C GLU 44 54.034 -11.396 -22.208 1.00 74.23 ATOM 679 O GLU 44 54.441 -11.689 -23.333 1.00 41.21 ATOM 680 N CYS 45 52.743 -11.294 -21.910 1.00 43.41 ATOM 681 HN CYS 45 52.465 -11.083 -20.990 1.00 36.75 ATOM 682 CA CYS 45 51.707 -11.525 -22.910 1.00 13.21 ATOM 683 HA CYS 45 52.025 -12.337 -23.555 1.00 42.01 ATOM 684 CB CYS 45 50.392 -11.911 -22.231 1.00 54.14 ATOM 685 HB1 CYS 45 49.565 -11.722 -22.903 1.00 36.75 ATOM 686 HB2 CYS 45 50.261 -11.318 -21.338 1.00 54.15 ATOM 687 SG CYS 45 50.293 -13.651 -21.749 1.00 55.34 ATOM 688 HG CYS 45 50.953 -13.798 -20.610 1.00 61.20 ATOM 689 C CYS 45 51.502 -10.287 -23.777 1.00 15.23 ATOM 690 O CYS 45 51.318 -10.389 -24.989 1.00 74.32 ATOM 691 N ALA 46 51.533 -9.117 -23.146 1.00 32.40 ATOM 692 HN ALA 46 51.675 -9.094 -22.170 1.00 36.75 ATOM 693 CA ALA 46 51.351 -7.859 -23.859 1.00 73.54 ATOM 694 HA ALA 46 50.454 -7.922 -24.455 1.00 35.54 ATOM 695 CB ALA 46 51.170 -6.715 -22.873 1.00 40.25 ATOM 696 HB1 ALA 46 52.092 -6.548 -22.332 1.00 33.32 ATOM 697 HB2 ALA 46 50.389 -6.965 -22.172 1.00 73.32 ATOM 698 HB3 ALA 46 50.899 -5.816 -23.408 1.00 25.30 ATOM 699 C ALA 46 52.527 -7.580 -24.788 1.00 5.40 ATOM 700 O ALA 46 52.345 -7.124 -25.917 1.00 11.41 ATOM 701 N ASP 47 53.734 -7.855 -24.305 1.00 41.23 ATOM 702 HN ASP 47 53.822 -8.208 -23.390 1.00 36.75 ATOM 703 CA ASP 47 54.941 -7.633 -25.093 1.00 4.23 ATOM 704 HA ASP 47 54.961 -6.587 -25.376 1.00 45.32 ATOM 705 CB ASP 47 56.184 -7.955 -24.262 1.00 3.14 ATOM 706 HB1 ASP 47 56.348 -9.025 -24.240 1.00 36.75 ATOM 707 HB2 ASP 47 56.032 -7.604 -23.251 1.00 73.42 ATOM 708 CG ASP 47 57.432 -7.285 -24.803 1.00 22.31 ATOM 709 OD1 ASP 47 58.474 -7.967 -24.908 1.00 13.24 ATOM 710 OD2 ASP 47 57.367 -6.080 -25.123 1.00 21.23 ATOM 711 C ASP 47 54.927 -8.482 -26.360 1.00 5.11 ATOM 712 O ASP 47 55.365 -8.038 -27.422 1.00 65.23 ATOM 713 N LEU 48 54.423 -9.705 -26.241 1.00 30.03 ATOM 714 HN LEU 48 54.106 -10.018 -25.361 1.00 36.75 ATOM 715 CA LEU 48 54.353 -10.618 -27.377 1.00 12.24 ATOM 716 HA LEU 48 55.362 -10.857 -27.661 1.00 10.22 ATOM 717 CB LEU 48 53.597 -11.889 -26.988 1.00 75.42 ATOM 718 HB1 LEU 48 53.071 -12.266 -27.860 1.00 36.75 ATOM 719 HB2 LEU 48 52.860 -11.628 -26.247 1.00 63.03 ATOM 720 CG LEU 48 54.446 -13.031 -26.430 1.00 21.54 ATOM 721 HG LEU 48 54.980 -12.681 -25.559 1.00 42.11 ATOM 722 CD1 LEU 48 53.564 -14.194 -26.003 1.00 35.11 ATOM 723 HD11 LEU 48 54.178 -14.982 -25.589 1.00 65.44 ATOM 724 HD12 LEU 48 53.021 -14.574 -26.857 1.00 50.13 ATOM 725 HD13 LEU 48 52.862 -13.859 -25.252 1.00 73.34 ATOM 726 CD2 LEU 48 55.471 -13.487 -27.459 1.00 15.24 ATOM 727 HD21 LEU 48 54.969 -13.771 -28.374 1.00 50.15 ATOM 728 HD22 LEU 48 56.018 -14.338 -27.074 1.00 51.11 ATOM 729 HD23 LEU 48 56.166 -12.691 -27.663 1.00 42.51 ATOM 730 C LEU 48 53.673 -9.952 -28.569 1.00 32.23 ATOM 731 O LEU 48 54.055 -10.174 -29.719 1.00 3.45 ATOM 732 N LEU 49 52.664 -9.135 -28.287 1.00 44.43 ATOM 733 HN LEU 49 52.389 -9.004 -27.349 1.00 36.75 ATOM 734 CA LEU 49 51.932 -8.434 -29.336 1.00 52.14 ATOM 735 HA LEU 49 51.644 -9.157 -30.091 1.00 32.52 ATOM 736 CB LEU 49 50.672 -7.786 -28.760 1.00 75.22 ATOM 737 HB1 LEU 49 50.419 -6.937 -29.388 1.00 36.75 ATOM 738 HB2 LEU 49 50.896 -7.406 -27.775 1.00 41.22 ATOM 739 CG LEU 49 49.436 -8.683 -28.673 1.00 51.33 ATOM 740 HG LEU 49 49.369 -9.290 -29.566 1.00 44.13 ATOM 741 CD1 LEU 49 49.539 -9.619 -27.480 1.00 31.44 ATOM 742 HD11 LEU 49 50.437 -10.210 -27.556 1.00 40.10 ATOM 743 HD12 LEU 49 48.680 -10.270 -27.456 1.00 33.24 ATOM 744 HD13 LEU 49 49.574 -9.038 -26.570 1.00 65.34 ATOM 745 CD2 LEU 49 48.171 -7.841 -28.585 1.00 43.13 ATOM 746 HD21 LEU 49 48.222 -7.022 -29.293 1.00 1.41 ATOM 747 HD22 LEU 49 48.053 -7.441 -27.587 1.00 54.41 ATOM 748 HD23 LEU 49 47.329 -8.451 -28.828 1.00 45.20 ATOM 749 C LEU 49 52.807 -7.373 -29.996 1.00 12.43 ATOM 750 O LEU 49 52.899 -7.303 -31.221 1.00 73.22 ATOM 751 N SER 50 53.450 -6.549 -29.174 1.00 55.20 ATOM 752 HN SER 50 53.334 -6.652 -28.199 1.00 36.75 ATOM 753 CA SER 50 54.316 -5.490 -29.677 1.00 44.23 ATOM 754 HA SER 50 53.708 -4.801 -30.245 1.00 62.21 ATOM 755 CB SER 50 54.962 -4.734 -28.514 1.00 60.31 ATOM 756 HB1 SER 50 55.490 -5.433 -27.881 1.00 36.75 ATOM 757 HB2 SER 50 54.193 -4.240 -27.939 1.00 12.13 ATOM 758 OG SER 50 55.875 -3.758 -28.984 1.00 50.23 ATOM 759 HG SER 50 56.743 -4.154 -29.099 1.00 5.34 ATOM 760 C SER 50 55.397 -6.060 -30.590 1.00 63.43 ATOM 761 O SER 50 55.712 -5.486 -31.633 1.00 11.15 ATOM 762 N SER 51 55.962 -7.195 -30.190 1.00 64.15 ATOM 763 HN SER 51 55.672 -7.613 -29.345 1.00 36.75 ATOM 764 CA SER 51 57.011 -7.843 -30.970 1.00 0.13 ATOM 765 HA SER 51 57.709 -7.085 -31.303 1.00 15.24 ATOM 766 CB SER 51 57.766 -8.855 -30.106 1.00 71.20 ATOM 767 HB1 SER 51 57.240 -9.802 -30.088 1.00 36.75 ATOM 768 HB2 SER 51 57.844 -8.475 -29.096 1.00 32.14 ATOM 769 OG SER 51 59.077 -9.069 -30.599 1.00 42.21 ATOM 770 HG SER 51 59.486 -9.792 -30.118 1.00 51.10 ATOM 771 C SER 51 56.426 -8.539 -32.195 1.00 2.20 ATOM 772 O SER 51 57.014 -8.515 -33.276 1.00 25.24 ATOM 773 N ALA 52 55.264 -9.158 -32.017 1.00 53.14 ATOM 774 HN ALA 52 54.841 -9.155 -31.126 1.00 36.75 ATOM 775 CA ALA 52 54.597 -9.859 -33.108 1.00 22.03 ATOM 776 HA ALA 52 55.309 -10.535 -33.566 1.00 34.11 ATOM 777 CB ALA 52 53.443 -10.693 -32.571 1.00 64.44 ATOM 778 HB1 ALA 52 52.722 -10.048 -32.089 1.00 34.41 ATOM 779 HB2 ALA 52 53.821 -11.406 -31.854 1.00 44.25 ATOM 780 HB3 ALA 52 52.966 -11.223 -33.384 1.00 24.45 ATOM 781 C ALA 52 54.098 -8.881 -34.166 1.00 1.34 ATOM 782 O ALA 52 53.899 -9.251 -35.324 1.00 11.35 ATOM 783 N LEU 53 53.897 -7.631 -33.761 1.00 60.43 ATOM 784 HN LEU 53 54.048 -7.387 -32.820 1.00 36.75 ATOM 785 CA LEU 53 53.420 -6.599 -34.675 1.00 41.00 ATOM 786 HA LEU 53 52.616 -7.014 -35.271 1.00 44.34 ATOM 787 CB LEU 53 52.886 -5.401 -33.888 1.00 42.20 ATOM 788 HB1 LEU 53 52.865 -4.532 -34.540 1.00 36.75 ATOM 789 HB2 LEU 53 53.593 -5.199 -33.092 1.00 41.44 ATOM 790 CG LEU 53 51.496 -5.567 -33.274 1.00 53.31 ATOM 791 HG LEU 53 51.417 -6.540 -32.819 1.00 20.13 ATOM 792 CD1 LEU 53 51.261 -4.523 -32.193 1.00 43.44 ATOM 793 HD11 LEU 53 50.777 -3.658 -32.615 1.00 51.25 ATOM 794 HD12 LEU 53 52.196 -4.224 -31.737 1.00 24.21 ATOM 795 HD13 LEU 53 50.621 -4.945 -31.433 1.00 14.02 ATOM 796 CD2 LEU 53 50.423 -5.474 -34.350 1.00 2.43 ATOM 797 HD21 LEU 53 50.469 -4.505 -34.829 1.00 74.13 ATOM 798 HD22 LEU 53 49.448 -5.606 -33.902 1.00 10.14 ATOM 799 HD23 LEU 53 50.580 -6.247 -35.088 1.00 75.31 ATOM 800 C LEU 53 54.533 -6.149 -35.616 1.00 55.34 ATOM 801 O LEU 53 54.319 -5.993 -36.819 1.00 73.43 ATOM 802 N THR 54 55.723 -5.942 -35.062 1.00 30.14 ATOM 803 HN THR 54 55.832 -6.088 -34.094 1.00 36.75 ATOM 804 CA THR 54 56.870 -5.511 -35.851 1.00 53.01 ATOM 805 HA THR 54 56.663 -4.519 -36.230 1.00 34.11 ATOM 806 CB THR 54 58.148 -5.444 -34.995 1.00 22.05 ATOM 807 HB THR 54 58.947 -5.026 -35.594 1.00 41.32 ATOM 808 OG1 THR 54 58.520 -6.759 -34.566 1.00 1.30 ATOM 809 HG1 THR 54 59.088 -7.167 -35.225 1.00 35.44 ATOM 810 CG2 THR 54 57.941 -4.550 -33.782 1.00 13.53 ATOM 811 HG21 THR 54 57.494 -5.123 -32.994 1.00 22.12 ATOM 812 HG22 THR 54 57.301 -3.713 -34.031 1.00 21.24 ATOM 813 HG23 THR 54 58.898 -4.177 -33.450 1.00 42.41 ATOM 814 C THR 54 57.110 -6.448 -37.029 1.00 55.13 ATOM 815 O THR 54 57.651 -6.041 -38.057 1.00 33.03 ATOM 816 N GLU 55 56.703 -7.704 -36.873 1.00 54.13 ATOM 817 HN GLU 55 56.268 -7.978 -36.043 1.00 36.75 ATOM 818 CA GLU 55 56.874 -8.698 -37.926 1.00 23.20 ATOM 819 HA GLU 55 57.459 -8.256 -38.721 1.00 64.03 ATOM 820 CB GLU 55 57.633 -9.914 -37.391 1.00 33.44 ATOM 821 HB1 GLU 55 58.684 -9.666 -37.349 1.00 36.75 ATOM 822 HB2 GLU 55 57.502 -10.756 -38.057 1.00 23.21 ATOM 823 CG GLU 55 57.194 -10.342 -36.000 1.00 11.40 ATOM 824 HG1 GLU 55 56.146 -10.602 -36.024 1.00 36.75 ATOM 825 HG2 GLU 55 57.351 -9.528 -35.322 1.00 12.23 ATOM 826 CD GLU 55 57.983 -11.527 -35.478 1.00 11.54 ATOM 827 OE1 GLU 55 59.167 -11.344 -35.127 1.00 44.54 ATOM 828 OE2 GLU 55 57.415 -12.637 -35.419 1.00 32.31 ATOM 829 C GLU 55 55.524 -9.134 -38.488 1.00 42.12 ATOM 830 O GLU 55 54.484 -9.008 -37.842 1.00 1.14 ATOM 831 N PRO 56 55.539 -9.659 -39.722 1.00 43.14 ATOM 832 CA PRO 56 54.325 -10.124 -40.400 1.00 24.02 ATOM 833 HA PRO 56 53.570 -9.349 -40.426 1.00 74.53 ATOM 834 CB PRO 56 54.803 -10.412 -41.825 1.00 71.42 ATOM 835 HB1 PRO 56 54.639 -9.549 -42.444 1.00 36.75 ATOM 836 HB2 PRO 56 54.272 -11.258 -42.245 1.00 70.13 ATOM 837 CG PRO 56 56.258 -10.698 -41.687 1.00 23.34 ATOM 838 HG1 PRO 56 56.772 -10.437 -42.600 1.00 36.75 ATOM 839 HG2 PRO 56 56.407 -11.743 -41.457 1.00 23.31 ATOM 840 CD PRO 56 56.743 -9.839 -40.552 1.00 31.35 ATOM 841 HD1 PRO 56 57.099 -8.890 -40.925 1.00 36.75 ATOM 842 HD2 PRO 56 57.524 -10.349 -40.022 1.00 24.02 ATOM 843 C PRO 56 53.754 -11.387 -39.764 1.00 3.34 ATOM 844 O PRO 56 54.451 -12.391 -39.620 1.00 22.31 ATOM 845 N VAL 57 52.482 -11.329 -39.384 1.00 75.23 ATOM 846 HN VAL 57 51.973 -10.493 -39.508 1.00 36.75 ATOM 847 CA VAL 57 51.816 -12.469 -38.765 1.00 22.02 ATOM 848 HA VAL 57 52.356 -13.367 -39.044 1.00 53.34 ATOM 849 CB VAL 57 51.815 -12.352 -37.229 1.00 43.20 ATOM 850 HB VAL 57 51.086 -13.033 -36.814 1.00 42.31 ATOM 851 CG1 VAL 57 53.174 -12.735 -36.663 1.00 44.44 ATOM 852 HG11 VAL 57 53.394 -13.762 -36.917 1.00 13.21 ATOM 853 HG12 VAL 57 53.165 -12.627 -35.588 1.00 15.13 ATOM 854 HG13 VAL 57 53.936 -12.091 -37.080 1.00 23.04 ATOM 855 CG2 VAL 57 51.429 -10.944 -36.803 1.00 13.41 ATOM 856 HG21 VAL 57 50.534 -10.636 -37.317 1.00 22.13 ATOM 857 HG22 VAL 57 52.229 -10.255 -37.043 1.00 41.34 ATOM 858 HG23 VAL 57 51.261 -10.937 -35.742 1.00 52.23 ATOM 859 C VAL 57 50.378 -12.599 -39.254 1.00 42.34 ATOM 860 O VAL 57 49.758 -11.632 -39.698 1.00 72.44 ATOM 861 N PRO 58 49.833 -13.822 -39.172 1.00 43.43 ATOM 862 CA PRO 58 48.461 -14.107 -39.602 1.00 20.15 ATOM 863 HA PRO 58 48.296 -13.787 -40.615 1.00 53.24 ATOM 864 CB PRO 58 48.378 -15.634 -39.533 1.00 23.12 ATOM 865 HB1 PRO 58 48.613 -16.047 -40.502 1.00 36.75 ATOM 866 HB2 PRO 58 47.386 -15.954 -39.237 1.00 54.34 ATOM 867 CG PRO 58 49.403 -16.024 -38.524 1.00 40.11 ATOM 868 HG1 PRO 58 49.770 -17.016 -38.741 1.00 36.75 ATOM 869 HG2 PRO 58 48.973 -15.994 -37.547 1.00 64.44 ATOM 870 CD PRO 58 50.515 -15.020 -38.654 1.00 14.54 ATOM 871 HD1 PRO 58 51.259 -15.372 -39.353 1.00 36.75 ATOM 872 HD2 PRO 58 50.958 -14.845 -37.693 1.00 11.04 ATOM 873 C PRO 58 47.422 -13.475 -38.681 1.00 24.40 ATOM 874 O PRO 58 47.606 -13.425 -37.466 1.00 14.14 ATOM 875 N ASN 59 46.331 -12.995 -39.269 1.00 24.12 ATOM 876 HN ASN 59 46.242 -13.062 -40.250 1.00 36.75 ATOM 877 CA ASN 59 45.263 -12.366 -38.500 1.00 61.35 ATOM 878 HA ASN 59 45.654 -11.456 -38.075 1.00 1.24 ATOM 879 CB ASN 59 44.073 -12.048 -39.408 1.00 30.50 ATOM 880 HB1 ASN 59 43.208 -11.802 -38.804 1.00 36.75 ATOM 881 HB2 ASN 59 43.847 -12.913 -40.014 1.00 33.53 ATOM 882 CG ASN 59 44.347 -10.877 -40.331 1.00 73.14 ATOM 883 OD1 ASN 59 44.182 -10.979 -41.547 1.00 54.01 ATOM 884 ND2 ASN 59 44.768 -9.757 -39.757 1.00 12.45 ATOM 885 HD21 ASN 59 44.877 -9.719 -38.783 1.00 71.25 ATOM 886 HD22 ASN 59 44.958 -8.995 -40.343 1.00 73.50 ATOM 887 C ASN 59 44.816 -13.267 -37.353 1.00 52.20 ATOM 888 O ASN 59 44.485 -12.789 -36.268 1.00 11.20 ATOM 889 N SER 60 44.809 -14.573 -37.601 1.00 10.32 ATOM 890 HN SER 60 45.065 -14.902 -38.495 1.00 36.75 ATOM 891 CA SER 60 44.399 -15.540 -36.590 1.00 24.51 ATOM 892 HA SER 60 43.378 -15.321 -36.309 1.00 34.04 ATOM 893 CB SER 60 44.460 -16.960 -37.158 1.00 3.32 ATOM 894 HB1 SER 60 43.752 -17.584 -36.634 1.00 36.75 ATOM 895 HB2 SER 60 45.456 -17.369 -37.040 1.00 52.22 ATOM 896 OG SER 60 44.139 -16.971 -38.538 1.00 44.21 ATOM 897 HG SER 60 44.333 -17.836 -38.905 1.00 74.15 ATOM 898 C SER 60 45.283 -15.438 -35.350 1.00 62.24 ATOM 899 O SER 60 44.787 -15.381 -34.226 1.00 5.45 ATOM 900 N GLN 61 46.594 -15.416 -35.567 1.00 24.45 ATOM 901 HN GLN 61 46.933 -15.466 -36.493 1.00 36.75 ATOM 902 CA GLN 61 47.548 -15.322 -34.467 1.00 52.13 ATOM 903 HA GLN 61 47.331 -16.114 -33.761 1.00 32.04 ATOM 904 CB GLN 61 48.975 -15.505 -34.985 1.00 64.34 ATOM 905 HB1 GLN 61 49.125 -14.832 -35.816 1.00 36.75 ATOM 906 HB2 GLN 61 49.087 -16.520 -35.328 1.00 73.23 ATOM 907 CG GLN 61 50.043 -15.213 -33.943 1.00 71.52 ATOM 908 HG1 GLN 61 49.893 -15.867 -33.097 1.00 36.75 ATOM 909 HG2 GLN 61 49.962 -14.186 -33.623 1.00 10.43 ATOM 910 CD GLN 61 51.448 -15.423 -34.473 1.00 11.14 ATOM 911 OE1 GLN 61 52.309 -14.552 -34.343 1.00 53.14 ATOM 912 NE2 GLN 61 51.688 -16.583 -35.073 1.00 11.21 ATOM 913 HE21 GLN 61 50.976 -17.253 -35.146 1.00 35.14 ATOM 914 HE22 GLN 61 52.590 -16.727 -35.428 1.00 60.41 ATOM 915 C GLN 61 47.422 -13.981 -33.752 1.00 23.14 ATOM 916 O GLN 61 47.390 -13.923 -32.522 1.00 14.54 ATOM 917 N LEU 62 47.353 -12.906 -34.528 1.00 53.34 ATOM 918 HN LEU 62 47.396 -13.013 -35.508 1.00 36.75 ATOM 919 CA LEU 62 47.231 -11.564 -33.969 1.00 31.13 ATOM 920 HA LEU 62 48.113 -11.372 -33.384 1.00 3.50 ATOM 921 CB LEU 62 47.109 -10.531 -35.090 1.00 75.35 ATOM 922 HB1 LEU 62 46.620 -9.645 -34.695 1.00 36.75 ATOM 923 HB2 LEU 62 46.473 -10.948 -35.861 1.00 71.02 ATOM 924 CG LEU 62 48.420 -10.088 -35.740 1.00 54.52 ATOM 925 HG LEU 62 48.891 -10.954 -36.162 1.00 63.42 ATOM 926 CD1 LEU 62 48.151 -9.093 -36.859 1.00 61.11 ATOM 927 HD11 LEU 62 47.510 -9.548 -37.602 1.00 65.22 ATOM 928 HD12 LEU 62 49.085 -8.808 -37.323 1.00 3.43 ATOM 929 HD13 LEU 62 47.667 -8.213 -36.457 1.00 4.40 ATOM 930 CD2 LEU 62 49.353 -9.484 -34.700 1.00 74.14 ATOM 931 HD21 LEU 62 49.679 -10.250 -34.016 1.00 24.21 ATOM 932 HD22 LEU 62 48.839 -8.707 -34.151 1.00 43.42 ATOM 933 HD23 LEU 62 50.220 -9.058 -35.189 1.00 73.34 ATOM 934 C LEU 62 46.024 -11.469 -33.040 1.00 44.24 ATOM 935 O LEU 62 46.153 -11.095 -31.875 1.00 12.44 ATOM 936 N VAL 63 44.852 -11.812 -33.565 1.00 1.23 ATOM 937 HN VAL 63 44.824 -12.137 -34.495 1.00 36.75 ATOM 938 CA VAL 63 43.623 -11.768 -32.782 1.00 75.34 ATOM 939 HA VAL 63 43.486 -10.764 -32.439 1.00 15.33 ATOM 940 CB VAL 63 42.400 -12.154 -33.636 1.00 50.23 ATOM 941 HB VAL 63 42.530 -13.170 -33.986 1.00 52.43 ATOM 942 CG1 VAL 63 41.128 -12.097 -32.804 1.00 51.34 ATOM 943 HG11 VAL 63 40.268 -12.243 -33.445 1.00 60.51 ATOM 944 HG12 VAL 63 41.049 -11.134 -32.318 1.00 62.11 ATOM 945 HG13 VAL 63 41.141 -12.876 -32.057 1.00 64.21 ATOM 946 CG2 VAL 63 42.293 -11.246 -34.852 1.00 73.25 ATOM 947 HG21 VAL 63 41.546 -11.640 -35.523 1.00 74.43 ATOM 948 HG22 VAL 63 43.229 -11.178 -35.370 1.00 40.33 ATOM 949 HG23 VAL 63 41.995 -10.255 -34.539 1.00 31.13 ATOM 950 C VAL 63 43.703 -12.702 -31.580 1.00 2.44 ATOM 951 O VAL 63 43.277 -12.351 -30.479 1.00 75.02 ATOM 952 N ASP 64 44.253 -13.891 -31.797 1.00 23.03 ATOM 953 HN ASP 64 44.566 -14.124 -32.704 1.00 36.75 ATOM 954 CA ASP 64 44.392 -14.876 -30.730 1.00 11.42 ATOM 955 HA ASP 64 43.401 -15.099 -30.355 1.00 34.42 ATOM 956 CB ASP 64 45.023 -16.160 -31.271 1.00 13.34 ATOM 957 HB1 ASP 64 46.060 -15.983 -31.524 1.00 36.75 ATOM 958 HB2 ASP 64 44.489 -16.465 -32.155 1.00 63.11 ATOM 959 CG ASP 64 44.954 -17.302 -30.276 1.00 3.31 ATOM 960 OD1 ASP 64 44.173 -17.199 -29.307 1.00 4.25 ATOM 961 OD2 ASP 64 45.681 -18.299 -30.467 1.00 51.13 ATOM 962 C ASP 64 45.236 -14.322 -29.586 1.00 32.11 ATOM 963 O ASP 64 44.818 -14.337 -28.428 1.00 11.55 ATOM 964 N THR 65 46.427 -13.835 -29.918 1.00 65.01 ATOM 965 HN THR 65 46.706 -13.847 -30.863 1.00 36.75 ATOM 966 CA THR 65 47.331 -13.279 -28.919 1.00 64.12 ATOM 967 HA THR 65 47.527 -14.053 -28.195 1.00 20.44 ATOM 968 CB THR 65 48.668 -12.846 -29.550 1.00 50.43 ATOM 969 HB THR 65 48.529 -11.906 -30.071 1.00 34.01 ATOM 970 OG1 THR 65 49.105 -13.829 -30.495 1.00 43.21 ATOM 971 HG1 THR 65 49.688 -13.421 -31.141 1.00 3.24 ATOM 972 CG2 THR 65 49.733 -12.652 -28.482 1.00 25.41 ATOM 973 HG21 THR 65 50.457 -11.932 -28.832 1.00 41.10 ATOM 974 HG22 THR 65 50.232 -13.594 -28.305 1.00 62.41 ATOM 975 HG23 THR 65 49.299 -12.307 -27.557 1.00 34.03 ATOM 976 C THR 65 46.703 -12.082 -28.215 1.00 2.02 ATOM 977 O THR 65 46.881 -11.893 -27.012 1.00 63.23 ATOM 978 N GLY 66 45.966 -11.275 -28.972 1.00 60.12 ATOM 979 HN GLY 66 45.861 -11.452 -29.933 1.00 36.75 ATOM 980 CA GLY 66 45.322 -10.106 -28.402 1.00 71.24 ATOM 981 HA1 GLY 66 45.016 -9.457 -29.193 1.00 36.75 ATOM 982 HA2 GLY 66 46.026 -9.579 -27.774 1.00 62.54 ATOM 983 C GLY 66 44.113 -10.463 -27.560 1.00 62.11 ATOM 984 O GLY 66 43.727 -9.711 -26.665 1.00 1.22 ATOM 985 N HIS 67 43.512 -11.614 -27.847 1.00 44.43 ATOM 986 HN HIS 67 43.850 -12.170 -28.583 1.00 36.75 ATOM 987 CA HIS 67 42.339 -12.068 -27.110 1.00 21.42 ATOM 988 HA HIS 67 41.599 -11.284 -27.173 1.00 33.32 ATOM 989 CB HIS 67 41.791 -13.356 -27.725 1.00 61.25 ATOM 990 HB1 HIS 67 42.218 -14.222 -27.236 1.00 36.75 ATOM 991 HB2 HIS 67 42.047 -13.392 -28.770 1.00 73.11 ATOM 992 CG HIS 67 40.300 -13.474 -27.640 1.00 25.14 ATOM 993 ND1 HIS 67 39.644 -14.685 -27.570 1.00 0.31 ATOM 994 HD1 HIS 67 40.070 -15.568 -27.570 1.00 24.12 ATOM 995 CD2 HIS 67 39.337 -12.523 -27.611 1.00 24.43 ATOM 996 HD2 HIS 67 39.488 -11.454 -27.652 1.00 1.33 ATOM 997 CE1 HIS 67 38.342 -14.474 -27.504 1.00 14.34 ATOM 998 HE1 HIS 67 37.581 -15.237 -27.441 1.00 31.21 ATOM 999 NE2 HIS 67 38.129 -13.170 -27.526 1.00 61.21 ATOM 1000 HE2 HIS 67 37.260 -12.737 -27.393 1.00 36.75 ATOM 1001 C HIS 67 42.676 -12.297 -25.640 1.00 4.25 ATOM 1002 O HIS 67 42.083 -11.681 -24.755 1.00 1.33 ATOM 1003 N GLN 68 43.631 -13.186 -25.388 1.00 24.23 ATOM 1004 HN GLN 68 44.068 -13.651 -26.142 1.00 36.75 ATOM 1005 CA GLN 68 44.046 -13.496 -24.025 1.00 34.35 ATOM 1006 HA GLN 68 43.223 -13.993 -23.532 1.00 3.43 ATOM 1007 CB GLN 68 45.254 -14.434 -24.037 1.00 71.31 ATOM 1008 HB1 GLN 68 45.081 -15.209 -24.773 1.00 36.75 ATOM 1009 HB2 GLN 68 45.344 -14.892 -23.062 1.00 1.14 ATOM 1010 CG GLN 68 46.565 -13.733 -24.354 1.00 60.31 ATOM 1011 HG1 GLN 68 46.984 -13.346 -23.437 1.00 36.75 ATOM 1012 HG2 GLN 68 46.385 -12.927 -25.034 1.00 42.45 ATOM 1013 CD GLN 68 47.581 -14.658 -24.995 1.00 23.04 ATOM 1014 OE1 GLN 68 48.196 -14.319 -26.006 1.00 52.42 ATOM 1015 NE2 GLN 68 47.764 -15.835 -24.407 1.00 51.13 ATOM 1016 HE21 GLN 68 47.255 -16.060 -23.597 1.00 1.22 ATOM 1017 HE22 GLN 68 48.414 -16.446 -24.813 1.00 60.54 ATOM 1018 C GLN 68 44.383 -12.223 -23.255 1.00 61.42 ATOM 1019 O GLN 68 44.185 -12.148 -22.042 1.00 12.41 ATOM 1020 N LEU 69 44.894 -11.226 -23.968 1.00 2.52 ATOM 1021 HN LEU 69 45.059 -11.347 -24.929 1.00 36.75 ATOM 1022 CA LEU 69 45.260 -9.955 -23.352 1.00 11.40 ATOM 1023 HA LEU 69 46.052 -10.148 -22.644 1.00 5.12 ATOM 1024 CB LEU 69 45.742 -8.969 -24.418 1.00 23.12 ATOM 1025 HB1 LEU 69 45.125 -8.081 -24.394 1.00 36.75 ATOM 1026 HB2 LEU 69 45.624 -9.420 -25.389 1.00 74.34 ATOM 1027 CG LEU 69 47.201 -8.524 -24.309 1.00 62.24 ATOM 1028 HG LEU 69 47.437 -7.880 -25.144 1.00 5.30 ATOM 1029 CD1 LEU 69 47.424 -7.733 -23.030 1.00 24.22 ATOM 1030 HD11 LEU 69 46.761 -6.879 -23.011 1.00 10.43 ATOM 1031 HD12 LEU 69 48.445 -7.388 -22.994 1.00 54.21 ATOM 1032 HD13 LEU 69 47.227 -8.359 -22.171 1.00 73.24 ATOM 1033 CD2 LEU 69 48.131 -9.727 -24.364 1.00 22.51 ATOM 1034 HD21 LEU 69 47.911 -10.319 -25.243 1.00 33.42 ATOM 1035 HD22 LEU 69 48.004 -10.335 -23.482 1.00 24.02 ATOM 1036 HD23 LEU 69 49.137 -9.387 -24.418 1.00 31.20 ATOM 1037 C LEU 69 44.080 -9.360 -22.589 1.00 45.44 ATOM 1038 O LEU 69 44.250 -8.782 -21.515 1.00 31.13 ATOM 1039 N LEU 70 42.885 -9.506 -23.151 1.00 5.11 ATOM 1040 HN LEU 70 42.812 -9.967 -24.019 1.00 36.75 ATOM 1041 CA LEU 70 41.676 -8.985 -22.523 1.00 2.11 ATOM 1042 HA LEU 70 41.837 -7.940 -22.298 1.00 52.25 ATOM 1043 CB LEU 70 40.483 -9.133 -23.468 1.00 53.32 ATOM 1044 HB1 LEU 70 39.654 -9.583 -22.933 1.00 36.75 ATOM 1045 HB2 LEU 70 40.750 -9.802 -24.268 1.00 22.22 ATOM 1046 CG LEU 70 39.973 -7.843 -24.112 1.00 14.21 ATOM 1047 HG LEU 70 39.246 -8.092 -24.872 1.00 52.23 ATOM 1048 CD1 LEU 70 39.288 -6.964 -23.077 1.00 32.24 ATOM 1049 HD11 LEU 70 39.928 -6.850 -22.215 1.00 10.30 ATOM 1050 HD12 LEU 70 38.364 -7.431 -22.772 1.00 35.01 ATOM 1051 HD13 LEU 70 39.071 -5.991 -23.495 1.00 75.00 ATOM 1052 CD2 LEU 70 41.115 -7.092 -24.779 1.00 44.25 ATOM 1053 HD21 LEU 70 41.834 -6.773 -24.041 1.00 40.01 ATOM 1054 HD22 LEU 70 40.737 -6.225 -25.291 1.00 53.13 ATOM 1055 HD23 LEU 70 41.604 -7.738 -25.495 1.00 2.34 ATOM 1056 C LEU 70 41.391 -9.706 -21.209 1.00 41.41 ATOM 1057 O LEU 70 40.928 -9.098 -20.244 1.00 1.32 ATOM 1058 N ASP 71 41.672 -11.004 -21.179 1.00 45.53 ATOM 1059 HN ASP 71 42.031 -11.444 -21.985 1.00 36.75 ATOM 1060 CA ASP 71 41.449 -11.807 -19.983 1.00 5.01 ATOM 1061 HA ASP 71 40.436 -11.626 -19.646 1.00 0.43 ATOM 1062 CB ASP 71 41.608 -13.294 -20.304 1.00 52.13 ATOM 1063 HB1 ASP 71 42.658 -13.556 -20.332 1.00 36.75 ATOM 1064 HB2 ASP 71 41.173 -13.493 -21.275 1.00 42.43 ATOM 1065 CG ASP 71 40.917 -14.183 -19.289 1.00 13.51 ATOM 1066 OD1 ASP 71 41.261 -14.095 -18.091 1.00 65.25 ATOM 1067 OD2 ASP 71 40.031 -14.965 -19.691 1.00 55.43 ATOM 1068 C ASP 71 42.417 -11.408 -18.872 1.00 75.15 ATOM 1069 O ASP 71 42.003 -11.122 -17.749 1.00 21.25 ATOM 1070 N TYR 72 43.705 -11.392 -19.195 1.00 20.32 ATOM 1071 HN TYR 72 43.974 -11.628 -20.116 1.00 36.75 ATOM 1072 CA TYR 72 44.731 -11.032 -18.224 1.00 24.12 ATOM 1073 HA TYR 72 44.648 -11.707 -17.380 1.00 54.22 ATOM 1074 CB TYR 72 46.122 -11.173 -18.845 1.00 2.34 ATOM 1075 HB1 TYR 72 46.844 -10.631 -18.242 1.00 36.75 ATOM 1076 HB2 TYR 72 46.110 -10.743 -19.838 1.00 24.15 ATOM 1077 CG TYR 72 46.600 -12.604 -18.942 1.00 50.12 ATOM 1078 CD1 TYR 72 46.757 -13.222 -20.176 1.00 73.33 ATOM 1079 HD1 TYR 72 46.532 -12.668 -21.077 1.00 63.44 ATOM 1080 CD2 TYR 72 46.896 -13.337 -17.800 1.00 33.44 ATOM 1081 HD2 TYR 72 46.791 -12.866 -16.846 1.00 22.11 ATOM 1082 CE1 TYR 72 47.192 -14.530 -20.270 1.00 2.01 ATOM 1083 HE1 TYR 72 47.308 -14.992 -21.239 1.00 22.54 ATOM 1084 CE2 TYR 72 47.333 -14.645 -17.884 1.00 22.13 ATOM 1085 HE2 TYR 72 47.557 -15.198 -16.984 1.00 71.43 ATOM 1086 CZ TYR 72 47.479 -15.237 -19.121 1.00 23.11 ATOM 1087 OH TYR 72 47.915 -16.539 -19.210 1.00 33.40 ATOM 1088 HH TYR 72 48.824 -16.559 -19.525 1.00 34.21 ATOM 1089 C TYR 72 44.529 -9.606 -17.720 1.00 74.33 ATOM 1090 O TYR 72 44.734 -9.317 -16.541 1.00 23.42 ATOM 1091 N CYS 73 44.123 -8.720 -18.622 1.00 45.44 ATOM 1092 HN CYS 73 43.978 -9.004 -19.555 1.00 36.75 ATOM 1093 CA CYS 73 43.892 -7.323 -18.271 1.00 43.25 ATOM 1094 HA CYS 73 44.721 -6.980 -17.664 1.00 1.50 ATOM 1095 CB CYS 73 43.810 -6.465 -19.535 1.00 11.22 ATOM 1096 HB1 CYS 73 43.378 -5.505 -19.303 1.00 36.75 ATOM 1097 HB2 CYS 73 43.179 -6.962 -20.256 1.00 1.42 ATOM 1098 SG CYS 73 45.406 -6.165 -20.329 1.00 63.10 ATOM 1099 HG CYS 73 46.024 -7.330 -20.458 1.00 41.44 ATOM 1100 C CYS 73 42.613 -7.172 -17.455 1.00 52.12 ATOM 1101 O CYS 73 42.569 -6.415 -16.485 1.00 70.51 ATOM 1102 N SER 74 41.572 -7.896 -17.856 1.00 45.30 ATOM 1103 HN SER 74 41.662 -8.482 -18.645 1.00 36.75 ATOM 1104 CA SER 74 40.290 -7.838 -17.165 1.00 74.31 ATOM 1105 HA SER 74 39.976 -6.803 -17.119 1.00 43.23 ATOM 1106 CB SER 74 39.236 -8.637 -17.935 1.00 12.14 ATOM 1107 HB1 SER 74 39.118 -8.216 -18.921 1.00 36.75 ATOM 1108 HB2 SER 74 38.290 -8.586 -17.412 1.00 70.30 ATOM 1109 OG SER 74 39.615 -9.997 -18.057 1.00 2.22 ATOM 1110 HG SER 74 38.866 -10.512 -18.367 1.00 21.14 ATOM 1111 C SER 74 40.414 -8.377 -15.743 1.00 50.20 ATOM 1112 O SER 74 39.744 -7.903 -14.827 1.00 14.32 ATOM 1113 N GLY 75 41.278 -9.372 -15.567 1.00 70.11 ATOM 1114 HN GLY 75 41.782 -9.736 -16.327 1.00 36.75 ATOM 1115 CA GLY 75 41.475 -9.960 -14.255 1.00 4.31 ATOM 1116 HA1 GLY 75 41.824 -10.974 -14.383 1.00 36.75 ATOM 1117 HA2 GLY 75 40.535 -9.985 -13.716 1.00 24.30 ATOM 1118 C GLY 75 42.495 -9.202 -13.428 1.00 22.31 ATOM 1119 O GLY 75 42.349 -9.078 -12.212 1.00 3.53 ATOM 1120 N TYR 76 43.531 -8.697 -14.088 1.00 4.25 ATOM 1121 HN TYR 76 43.601 -8.829 -15.063 1.00 36.75 ATOM 1122 CA TYR 76 44.582 -7.951 -13.405 1.00 21.33 ATOM 1123 HA TYR 76 44.857 -8.495 -12.509 1.00 63.52 ATOM 1124 CB TYR 76 45.815 -7.828 -14.302 1.00 73.21 ATOM 1125 HB1 TYR 76 45.578 -7.208 -15.159 1.00 36.75 ATOM 1126 HB2 TYR 76 46.085 -8.808 -14.650 1.00 3.32 ATOM 1127 CG TYR 76 47.018 -7.240 -13.601 1.00 10.42 ATOM 1128 CD1 TYR 76 47.283 -5.877 -13.659 1.00 55.31 ATOM 1129 HD1 TYR 76 46.616 -5.232 -14.214 1.00 3.43 ATOM 1130 CD2 TYR 76 47.891 -8.046 -12.881 1.00 13.02 ATOM 1131 HD2 TYR 76 47.702 -9.103 -12.817 1.00 41.12 ATOM 1132 CE1 TYR 76 48.381 -5.334 -13.021 1.00 20.45 ATOM 1133 HE1 TYR 76 48.569 -4.272 -13.078 1.00 62.51 ATOM 1134 CE2 TYR 76 48.991 -7.512 -12.238 1.00 33.20 ATOM 1135 HE2 TYR 76 49.657 -8.156 -11.683 1.00 23.53 ATOM 1136 CZ TYR 76 49.232 -6.156 -12.311 1.00 32.11 ATOM 1137 OH TYR 76 50.327 -5.621 -11.673 1.00 43.31 ATOM 1138 HH TYR 76 50.045 -5.132 -10.894 1.00 32.20 ATOM 1139 C TYR 76 44.092 -6.564 -13.002 1.00 11.21 ATOM 1140 O TYR 76 44.406 -6.072 -11.918 1.00 44.32 ATOM 1141 N VAL 77 43.318 -5.938 -13.883 1.00 41.11 ATOM 1142 HN VAL 77 43.111 -6.371 -14.743 1.00 36.75 ATOM 1143 CA VAL 77 42.782 -4.608 -13.620 1.00 53.25 ATOM 1144 HA VAL 77 43.612 -3.938 -13.537 1.00 63.34 ATOM 1145 CB VAL 77 41.884 -4.126 -14.776 1.00 64.21 ATOM 1146 HB VAL 77 42.417 -4.252 -15.692 1.00 13.21 ATOM 1147 CG1 VAL 77 40.616 -4.962 -14.852 1.00 31.25 ATOM 1148 HG11 VAL 77 39.919 -4.665 -14.078 1.00 24.43 ATOM 1149 HG12 VAL 77 40.868 -5.991 -14.722 1.00 52.10 ATOM 1150 HG13 VAL 77 40.155 -4.826 -15.819 1.00 23.21 ATOM 1151 CG2 VAL 77 41.552 -2.651 -14.612 1.00 54.14 ATOM 1152 HG21 VAL 77 42.252 -2.181 -13.945 1.00 13.24 ATOM 1153 HG22 VAL 77 40.554 -2.526 -14.212 1.00 42.12 ATOM 1154 HG23 VAL 77 41.612 -2.167 -15.568 1.00 64.23 ATOM 1155 C VAL 77 41.979 -4.585 -12.325 1.00 33.13 ATOM 1156 O VAL 77 41.876 -3.552 -11.664 1.00 5.52 ATOM 1157 N ASP 78 41.411 -5.732 -11.967 1.00 51.41 ATOM 1158 HN ASP 78 41.485 -6.522 -12.549 1.00 36.75 ATOM 1159 CA ASP 78 40.617 -5.844 -10.749 1.00 25.53 ATOM 1160 HA ASP 78 39.942 -4.995 -10.712 1.00 21.14 ATOM 1161 CB ASP 78 39.800 -7.137 -10.765 1.00 23.32 ATOM 1162 HB1 ASP 78 40.372 -7.947 -10.329 1.00 36.75 ATOM 1163 HB2 ASP 78 39.561 -7.392 -11.789 1.00 32.10 ATOM 1164 CG ASP 78 38.496 -7.007 -10.002 1.00 63.45 ATOM 1165 OD1 ASP 78 37.457 -7.463 -10.524 1.00 1.43 ATOM 1166 OD2 ASP 78 38.515 -6.450 -8.885 1.00 11.20 ATOM 1167 C ASP 78 41.511 -5.808 -9.513 1.00 22.40 ATOM 1168 O ASP 78 41.055 -5.492 -8.414 1.00 33.13 ATOM 1169 N CYS 79 42.785 -6.135 -9.701 1.00 10.02 ATOM 1170 HN CYS 79 43.097 -6.398 -10.586 1.00 36.75 ATOM 1171 CA CYS 79 43.743 -6.142 -8.601 1.00 12.22 ATOM 1172 HA CYS 79 43.227 -6.437 -7.693 1.00 4.23 ATOM 1173 CB CYS 79 44.867 -7.140 -8.882 1.00 42.43 ATOM 1174 HB1 CYS 79 45.740 -6.882 -8.293 1.00 36.75 ATOM 1175 HB2 CYS 79 45.130 -7.106 -9.924 1.00 4.32 ATOM 1176 SG CYS 79 44.451 -8.853 -8.483 1.00 35.10 ATOM 1177 HG CYS 79 45.573 -9.557 -8.483 1.00 41.33 ATOM 1178 C CYS 79 44.325 -4.750 -8.379 1.00 5.14 ATOM 1179 O CYS 79 44.819 -4.439 -7.294 1.00 51.21 ATOM 1180 N ILE 80 44.266 -3.917 -9.412 1.00 63.55 ATOM 1181 HN ILE 80 43.855 -4.215 -10.251 1.00 36.75 ATOM 1182 CA ILE 80 44.789 -2.559 -9.330 1.00 34.21 ATOM 1183 HA ILE 80 45.857 -2.643 -9.233 1.00 44.41 ATOM 1184 CB ILE 80 44.503 -1.767 -10.619 1.00 41.14 ATOM 1185 HB ILE 80 43.437 -1.738 -10.766 1.00 35.31 ATOM 1186 CG1 ILE 80 45.154 -2.455 -11.821 1.00 41.32 ATOM 1187 HG11 ILE 80 44.759 -3.450 -11.925 1.00 36.75 ATOM 1188 HG12 ILE 80 46.222 -2.516 -11.661 1.00 32.42 ATOM 1189 CG2 ILE 80 45.005 -0.337 -10.485 1.00 21.05 ATOM 1190 HG21 ILE 80 44.805 0.211 -11.388 1.00 65.21 ATOM 1191 HG22 ILE 80 46.069 -0.339 -10.299 1.00 21.02 ATOM 1192 HG23 ILE 80 44.503 0.149 -9.669 1.00 23.51 ATOM 1193 CD1 ILE 80 44.932 -1.726 -13.128 1.00 13.00 ATOM 1194 HD11 ILE 80 45.190 -2.377 -13.950 1.00 23.01 ATOM 1195 HD12 ILE 80 45.557 -0.846 -13.160 1.00 73.12 ATOM 1196 HD13 ILE 80 43.903 -1.436 -13.210 1.00 55.32 ATOM 1197 C ILE 80 44.190 -1.811 -8.144 1.00 34.02 ATOM 1198 O ILE 80 43.008 -1.467 -8.128 1.00 35.23 ATOM 1199 N PRO 81 45.024 -1.550 -7.126 1.00 72.33 ATOM 1200 CA PRO 81 44.600 -0.838 -5.918 1.00 14.34 ATOM 1201 HA PRO 81 43.732 -1.300 -5.469 1.00 21.22 ATOM 1202 CB PRO 81 45.801 -0.984 -4.980 1.00 14.32 ATOM 1203 HB1 PRO 81 45.656 -1.847 -4.348 1.00 36.75 ATOM 1204 HB2 PRO 81 45.919 -0.101 -4.362 1.00 1.01 ATOM 1205 CG PRO 81 46.967 -1.177 -5.886 1.00 3.12 ATOM 1206 HG1 PRO 81 47.724 -1.760 -5.382 1.00 36.75 ATOM 1207 HG2 PRO 81 47.371 -0.223 -6.183 1.00 73.22 ATOM 1208 CD PRO 81 46.446 -1.931 -7.078 1.00 14.42 ATOM 1209 HD1 PRO 81 46.569 -2.989 -6.933 1.00 36.75 ATOM 1210 HD2 PRO 81 46.969 -1.605 -7.964 1.00 71.25 ATOM 1211 C PRO 81 44.308 0.635 -6.185 1.00 4.00 ATOM 1212 O PRO 81 43.275 1.158 -5.768 1.00 63.20 ATOM 1213 N GLN 82 45.225 1.298 -6.883 1.00 24.43 ATOM 1214 HN GLN 82 46.001 0.824 -7.243 1.00 36.75 ATOM 1215 CA GLN 82 45.066 2.711 -7.205 1.00 33.31 ATOM 1216 HA GLN 82 44.665 3.213 -6.328 1.00 72.53 ATOM 1217 CB GLN 82 46.420 3.333 -7.548 1.00 40.34 ATOM 1218 HB1 GLN 82 46.267 4.237 -8.126 1.00 36.75 ATOM 1219 HB2 GLN 82 46.976 2.628 -8.149 1.00 32.21 ATOM 1220 CG GLN 82 47.248 3.701 -6.327 1.00 55.55 ATOM 1221 HG1 GLN 82 47.025 3.015 -5.518 1.00 36.75 ATOM 1222 HG2 GLN 82 46.983 4.703 -6.024 1.00 11.33 ATOM 1223 CD GLN 82 48.738 3.666 -6.600 1.00 63.34 ATOM 1224 OE1 GLN 82 49.297 4.597 -7.181 1.00 24.41 ATOM 1225 NE2 GLN 82 49.391 2.588 -6.182 1.00 23.21 ATOM 1226 HE21 GLN 82 48.894 1.873 -5.724 1.00 22.13 ATOM 1227 HE22 GLN 82 50.356 2.547 -6.349 1.00 22.12 ATOM 1228 C GLN 82 44.097 2.898 -8.368 1.00 61.31 ATOM 1229 O GLN 82 44.348 2.433 -9.480 1.00 71.45 ATOM 1230 N THR 83 42.988 3.582 -8.104 1.00 61.32 ATOM 1231 HN THR 83 42.840 3.933 -7.193 1.00 36.75 ATOM 1232 CA THR 83 41.981 3.829 -9.128 1.00 52.11 ATOM 1233 HA THR 83 41.616 2.867 -9.471 1.00 54.25 ATOM 1234 CB THR 83 40.793 4.633 -8.565 1.00 64.24 ATOM 1235 HB THR 83 41.075 5.677 -8.482 1.00 50.01 ATOM 1236 OG1 THR 83 40.449 4.150 -7.262 1.00 75.12 ATOM 1237 HG1 THR 83 40.005 4.843 -6.766 1.00 74.34 ATOM 1238 CG2 THR 83 39.586 4.531 -9.485 1.00 62.45 ATOM 1239 HG21 THR 83 39.834 4.935 -10.456 1.00 11.34 ATOM 1240 HG22 THR 83 38.766 5.092 -9.062 1.00 53.32 ATOM 1241 HG23 THR 83 39.295 3.495 -9.589 1.00 31.41 ATOM 1242 C THR 83 42.574 4.583 -10.313 1.00 4.05 ATOM 1243 O THR 83 42.156 4.392 -11.455 1.00 24.24 ATOM 1244 N ARG 84 43.551 5.440 -10.033 1.00 63.33 ATOM 1245 HN ARG 84 43.832 5.573 -9.098 1.00 36.75 ATOM 1246 CA ARG 84 44.202 6.223 -11.077 1.00 21.04 ATOM 1247 HA ARG 84 43.474 6.917 -11.475 1.00 33.34 ATOM 1248 CB ARG 84 45.383 7.003 -10.496 1.00 41.24 ATOM 1249 HB1 ARG 84 46.088 7.245 -11.286 1.00 36.75 ATOM 1250 HB2 ARG 84 45.887 6.379 -9.770 1.00 64.15 ATOM 1251 CG ARG 84 44.979 8.293 -9.802 1.00 15.23 ATOM 1252 HG1 ARG 84 45.752 8.561 -9.097 1.00 36.75 ATOM 1253 HG2 ARG 84 44.047 8.145 -9.272 1.00 44.13 ATOM 1254 CD ARG 84 44.809 9.432 -10.796 1.00 22.35 ATOM 1255 HD1 ARG 84 44.250 9.065 -11.650 1.00 36.75 ATOM 1256 HD2 ARG 84 45.786 9.760 -11.119 1.00 45.40 ATOM 1257 NE ARG 84 44.096 10.565 -10.213 1.00 74.01 ATOM 1258 HE ARG 84 43.993 10.591 -9.233 1.00 42.22 ATOM 1259 CZ ARG 84 43.586 11.560 -10.931 1.00 21.04 ATOM 1260 NH1 ARG 84 43.710 11.561 -12.251 1.00 5.13 ATOM 1261 HH11 ARG 84 44.184 10.828 -12.732 1.00 3.14 ATOM 1262 HH12 ARG 84 43.319 12.315 -12.783 1.00 32.02 ATOM 1263 NH2 ARG 84 42.950 12.556 -10.328 1.00 0.31 ATOM 1264 HH21 ARG 84 42.852 12.561 -9.331 1.00 21.20 ATOM 1265 HH22 ARG 84 42.565 13.308 -10.867 1.00 21.44 ATOM 1266 C ARG 84 44.681 5.324 -12.212 1.00 64.24 ATOM 1267 O ARG 84 44.285 5.497 -13.364 1.00 14.02 ATOM 1268 N ASN 85 45.538 4.363 -11.879 1.00 14.51 ATOM 1269 HN ASN 85 45.818 4.272 -10.936 1.00 36.75 ATOM 1270 CA ASN 85 46.072 3.438 -12.871 1.00 21.31 ATOM 1271 HA ASN 85 46.569 4.017 -13.640 1.00 70.02 ATOM 1272 CB ASN 85 47.086 2.493 -12.223 1.00 45.11 ATOM 1273 HB1 ASN 85 47.354 1.714 -12.927 1.00 36.75 ATOM 1274 HB2 ASN 85 46.634 2.039 -11.353 1.00 75.21 ATOM 1275 CG ASN 85 48.359 3.207 -11.810 1.00 64.44 ATOM 1276 OD1 ASN 85 49.016 3.851 -12.628 1.00 51.33 ATOM 1277 ND2 ASN 85 48.714 3.094 -10.536 1.00 31.14 ATOM 1278 HD21 ASN 85 48.155 2.565 -9.927 1.00 14.10 ATOM 1279 HD22 ASN 85 49.532 3.551 -10.250 1.00 23.35 ATOM 1280 C ASN 85 44.952 2.631 -13.521 1.00 62.11 ATOM 1281 O ASN 85 44.953 2.411 -14.732 1.00 73.15 ATOM 1282 N LYS 86 43.997 2.192 -12.708 1.00 4.53 ATOM 1283 HN LYS 86 44.058 2.385 -11.743 1.00 36.75 ATOM 1284 CA LYS 86 42.870 1.412 -13.202 1.00 35.40 ATOM 1285 HA LYS 86 43.260 0.486 -13.591 1.00 10.22 ATOM 1286 CB LYS 86 41.887 1.121 -12.065 1.00 52.14 ATOM 1287 HB1 LYS 86 41.097 1.864 -12.063 1.00 36.75 ATOM 1288 HB2 LYS 86 42.414 1.179 -11.120 1.00 62.12 ATOM 1289 CG LYS 86 41.250 -0.255 -12.149 1.00 21.42 ATOM 1290 HG1 LYS 86 42.027 -0.998 -12.089 1.00 36.75 ATOM 1291 HG2 LYS 86 40.744 -0.351 -13.101 1.00 64.51 ATOM 1292 CD LYS 86 40.263 -0.483 -11.017 1.00 14.45 ATOM 1293 HD1 LYS 86 40.583 0.058 -10.134 1.00 36.75 ATOM 1294 HD2 LYS 86 40.238 -1.540 -10.792 1.00 32.40 ATOM 1295 CE LYS 86 38.863 -0.023 -11.397 1.00 4.04 ATOM 1296 HE1 LYS 86 38.916 0.727 -12.176 1.00 36.75 ATOM 1297 HE2 LYS 86 38.399 0.410 -10.523 1.00 73.41 ATOM 1298 NZ LYS 86 38.018 -1.154 -11.870 1.00 14.43 ATOM 1299 HZ1 LYS 86 37.923 -1.873 -11.122 1.00 64.33 ATOM 1300 HZ2 LYS 86 38.443 -1.598 -12.710 1.00 3.12 ATOM 1301 HZ3 LYS 86 37.070 -0.807 -12.121 1.00 2.42 ATOM 1302 C LYS 86 42.154 2.145 -14.332 1.00 72.41 ATOM 1303 O LYS 86 41.737 1.533 -15.316 1.00 35.02 ATOM 1304 N PHE 87 42.016 3.458 -14.186 1.00 4.25 ATOM 1305 HN PHE 87 42.360 3.894 -13.371 1.00 36.75 ATOM 1306 CA PHE 87 41.352 4.275 -15.195 1.00 34.45 ATOM 1307 HA PHE 87 40.351 3.883 -15.324 1.00 43.00 ATOM 1308 CB PHE 87 41.279 5.732 -14.735 1.00 0.21 ATOM 1309 HB1 PHE 87 42.131 6.286 -15.117 1.00 36.75 ATOM 1310 HB2 PHE 87 41.309 5.763 -13.652 1.00 42.30 ATOM 1311 CG PHE 87 40.020 6.433 -15.159 1.00 71.42 ATOM 1312 CD1 PHE 87 40.070 7.512 -16.027 1.00 25.04 ATOM 1313 HD1 PHE 87 41.026 7.853 -16.402 1.00 51.13 ATOM 1314 CD2 PHE 87 38.786 6.011 -14.691 1.00 53.32 ATOM 1315 HD2 PHE 87 38.730 5.170 -14.013 1.00 54.11 ATOM 1316 CE1 PHE 87 38.913 8.159 -16.418 1.00 23.42 ATOM 1317 HE1 PHE 87 38.966 8.999 -17.095 1.00 0.23 ATOM 1318 CE2 PHE 87 37.625 6.654 -15.079 1.00 61.34 ATOM 1319 HE2 PHE 87 36.669 6.315 -14.708 1.00 53.45 ATOM 1320 CZ PHE 87 37.689 7.728 -15.945 1.00 1.23 ATOM 1321 HZ PHE 87 36.784 8.232 -16.249 1.00 33.03 ATOM 1322 C PHE 87 42.081 4.187 -16.532 1.00 51.00 ATOM 1323 O PHE 87 41.475 3.898 -17.564 1.00 2.34 ATOM 1324 N ALA 88 43.385 4.439 -16.505 1.00 45.14 ATOM 1325 HN ALA 88 43.816 4.661 -15.644 1.00 36.75 ATOM 1326 CA ALA 88 44.198 4.388 -17.714 1.00 63.52 ATOM 1327 HA ALA 88 43.754 5.036 -18.446 1.00 71.01 ATOM 1328 CB ALA 88 45.599 4.910 -17.431 1.00 51.11 ATOM 1329 HB1 ALA 88 46.086 4.272 -16.706 1.00 23.02 ATOM 1330 HB2 ALA 88 45.533 5.913 -17.037 1.00 50.25 ATOM 1331 HB3 ALA 88 46.175 4.922 -18.346 1.00 33.03 ATOM 1332 C ALA 88 44.263 2.970 -18.272 1.00 63.20 ATOM 1333 O ALA 88 44.461 2.772 -19.471 1.00 52.21 ATOM 1334 N PHE 89 44.097 1.986 -17.395 1.00 34.42 ATOM 1335 HN PHE 89 43.960 2.194 -16.443 1.00 36.75 ATOM 1336 CA PHE 89 44.138 0.585 -17.800 1.00 2.31 ATOM 1337 HA PHE 89 44.967 0.458 -18.489 1.00 61.11 ATOM 1338 CB PHE 89 44.360 -0.314 -16.582 1.00 12.43 ATOM 1339 HB1 PHE 89 43.422 -0.453 -16.053 1.00 36.75 ATOM 1340 HB2 PHE 89 45.059 0.175 -15.912 1.00 74.24 ATOM 1341 CG PHE 89 44.921 -1.663 -16.927 1.00 21.32 ATOM 1342 CD1 PHE 89 44.087 -2.762 -17.060 1.00 51.42 ATOM 1343 HD1 PHE 89 43.028 -2.643 -16.929 1.00 13.23 ATOM 1344 CD2 PHE 89 46.283 -1.834 -17.118 1.00 53.34 ATOM 1345 HD2 PHE 89 46.943 -0.991 -17.015 1.00 13.51 ATOM 1346 CE1 PHE 89 44.601 -4.005 -17.377 1.00 1.20 ATOM 1347 HE1 PHE 89 43.949 -4.829 -17.461 1.00 5.13 ATOM 1348 CE2 PHE 89 46.803 -3.074 -17.436 1.00 34.52 ATOM 1349 HE2 PHE 89 47.857 -3.194 -17.593 1.00 51.11 ATOM 1350 CZ PHE 89 45.960 -4.161 -17.566 1.00 64.22 ATOM 1351 HZ PHE 89 46.359 -5.111 -17.810 1.00 64.54 ATOM 1352 C PHE 89 42.849 0.187 -18.512 1.00 60.23 ATOM 1353 O PHE 89 42.880 -0.370 -19.610 1.00 25.12 ATOM 1354 N ARG 90 41.717 0.476 -17.879 1.00 73.35 ATOM 1355 HN ARG 90 41.756 0.929 -17.005 1.00 36.75 ATOM 1356 CA ARG 90 40.417 0.146 -18.451 1.00 15.30 ATOM 1357 HA ARG 90 40.423 -0.897 -18.729 1.00 0.33 ATOM 1358 CB ARG 90 39.307 0.397 -17.428 1.00 4.43 ATOM 1359 HB1 ARG 90 38.341 0.304 -17.908 1.00 36.75 ATOM 1360 HB2 ARG 90 39.410 1.404 -17.052 1.00 50.11 ATOM 1361 CG ARG 90 39.347 -0.552 -16.242 1.00 34.43 ATOM 1362 HG1 ARG 90 38.545 -0.301 -15.569 1.00 36.75 ATOM 1363 HG2 ARG 90 40.292 -0.433 -15.735 1.00 34.33 ATOM 1364 CD ARG 90 39.206 -2.001 -16.683 1.00 14.20 ATOM 1365 HD1 ARG 90 39.031 -2.617 -15.813 1.00 36.75 ATOM 1366 HD2 ARG 90 40.126 -2.310 -17.155 1.00 55.12 ATOM 1367 NE ARG 90 38.109 -2.180 -17.631 1.00 10.03 ATOM 1368 HE ARG 90 38.347 -2.375 -18.564 1.00 44.42 ATOM 1369 CZ ARG 90 36.827 -2.093 -17.296 1.00 35.54 ATOM 1370 NH1 ARG 90 36.482 -1.831 -16.042 1.00 74.35 ATOM 1371 HH11 ARG 90 37.155 -1.707 -15.324 1.00 2.41 ATOM 1372 HH12 ARG 90 35.510 -1.755 -15.807 1.00 21.50 ATOM 1373 NH2 ARG 90 35.886 -2.269 -18.215 1.00 10.01 ATOM 1374 HH21 ARG 90 36.140 -2.468 -19.164 1.00 2.44 ATOM 1375 HH22 ARG 90 34.918 -2.204 -17.964 1.00 3.12 ATOM 1376 C ARG 90 40.154 0.964 -19.712 1.00 62.13 ATOM 1377 O ARG 90 39.719 0.428 -20.731 1.00 12.11 ATOM 1378 N GLU 91 40.422 2.264 -19.635 1.00 71.22 ATOM 1379 HN GLU 91 40.761 2.640 -18.787 1.00 36.75 ATOM 1380 CA GLU 91 40.213 3.155 -20.771 1.00 21.35 ATOM 1381 HA GLU 91 39.156 3.164 -20.999 1.00 33.41 ATOM 1382 CB GLU 91 40.655 4.577 -20.419 1.00 62.13 ATOM 1383 HB1 GLU 91 40.390 4.786 -19.397 1.00 36.75 ATOM 1384 HB2 GLU 91 40.114 5.268 -21.051 1.00 50.33 ATOM 1385 CG GLU 91 42.148 4.809 -20.586 1.00 34.24 ATOM 1386 HG1 GLU 91 42.694 3.921 -20.346 1.00 36.75 ATOM 1387 HG2 GLU 91 42.434 5.593 -19.903 1.00 22.32 ATOM 1388 CD GLU 91 42.515 5.267 -21.984 1.00 15.02 ATOM 1389 OE1 GLU 91 43.492 4.730 -22.546 1.00 3.32 ATOM 1390 OE2 GLU 91 41.825 6.162 -22.516 1.00 32.33 ATOM 1391 C GLU 91 40.976 2.661 -21.997 1.00 12.43 ATOM 1392 O GLU 91 40.570 2.906 -23.133 1.00 24.54 ATOM 1393 N ALA 92 42.083 1.966 -21.757 1.00 41.53 ATOM 1394 HN ALA 92 42.386 1.820 -20.833 1.00 36.75 ATOM 1395 CA ALA 92 42.902 1.437 -22.841 1.00 2.52 ATOM 1396 HA ALA 92 42.902 2.152 -23.657 1.00 12.12 ATOM 1397 CB ALA 92 44.341 1.265 -22.379 1.00 24.15 ATOM 1398 HB1 ALA 92 44.397 0.495 -21.628 1.00 44.55 ATOM 1399 HB2 ALA 92 44.690 2.197 -21.958 1.00 2.43 ATOM 1400 HB3 ALA 92 44.954 1.008 -23.223 1.00 43.32 ATOM 1401 C ALA 92 42.347 0.113 -23.353 1.00 35.24 ATOM 1402 O ALA 92 42.191 -0.082 -24.558 1.00 62.52 ATOM 1403 N VAL 93 42.049 -0.795 -22.429 1.00 22.53 ATOM 1404 HN VAL 93 42.176 -0.568 -21.478 1.00 36.75 ATOM 1405 CA VAL 93 41.510 -2.102 -22.787 1.00 23.13 ATOM 1406 HA VAL 93 42.268 -2.627 -23.346 1.00 1.32 ATOM 1407 CB VAL 93 41.171 -2.932 -21.534 1.00 53.51 ATOM 1408 HB VAL 93 40.410 -2.409 -20.969 1.00 0.30 ATOM 1409 CG1 VAL 93 40.617 -4.292 -21.929 1.00 24.45 ATOM 1410 HG11 VAL 93 39.648 -4.175 -22.389 1.00 64.23 ATOM 1411 HG12 VAL 93 40.511 -4.912 -21.048 1.00 52.51 ATOM 1412 HG13 VAL 93 41.290 -4.776 -22.624 1.00 61.44 ATOM 1413 CG2 VAL 93 42.397 -3.082 -20.647 1.00 20.22 ATOM 1414 HG21 VAL 93 42.821 -4.070 -20.766 1.00 34.14 ATOM 1415 HG22 VAL 93 42.107 -2.948 -19.617 1.00 34.40 ATOM 1416 HG23 VAL 93 43.154 -2.354 -20.894 1.00 4.40 ATOM 1417 C VAL 93 40.259 -1.964 -23.646 1.00 14.30 ATOM 1418 O VAL 93 40.016 -2.772 -24.542 1.00 33.00 ATOM 1419 N SER 94 39.467 -0.933 -23.367 1.00 31.11 ATOM 1420 HN SER 94 39.698 -0.327 -22.625 1.00 36.75 ATOM 1421 CA SER 94 38.237 -0.690 -24.112 1.00 44.12 ATOM 1422 HA SER 94 37.544 -1.485 -23.879 1.00 75.50 ATOM 1423 CB SER 94 37.619 0.646 -23.695 1.00 60.14 ATOM 1424 HB1 SER 94 38.291 1.454 -23.951 1.00 36.75 ATOM 1425 HB2 SER 94 37.455 0.643 -22.627 1.00 21.42 ATOM 1426 OG SER 94 36.376 0.857 -24.343 1.00 22.33 ATOM 1427 HG SER 94 36.526 1.210 -25.223 1.00 61.24 ATOM 1428 C SER 94 38.503 -0.693 -25.615 1.00 21.44 ATOM 1429 O SER 94 37.773 -1.317 -26.385 1.00 54.31 ATOM 1430 N LYS 95 39.555 0.008 -26.025 1.00 32.45 ATOM 1431 HN LYS 95 40.124 0.460 -25.361 1.00 36.75 ATOM 1432 CA LYS 95 39.920 0.086 -27.434 1.00 4.12 ATOM 1433 HA LYS 95 39.014 0.145 -28.021 1.00 24.25 ATOM 1434 CB LYS 95 40.749 1.345 -27.698 1.00 3.25 ATOM 1435 HB1 LYS 95 41.012 1.372 -28.748 1.00 36.75 ATOM 1436 HB2 LYS 95 41.662 1.295 -27.118 1.00 73.15 ATOM 1437 CG LYS 95 40.016 2.635 -27.373 1.00 1.11 ATOM 1438 HG1 LYS 95 38.946 2.480 -27.446 1.00 36.75 ATOM 1439 HG2 LYS 95 40.316 3.370 -28.101 1.00 45.04 ATOM 1440 CD LYS 95 40.351 3.131 -25.976 1.00 62.22 ATOM 1441 HD1 LYS 95 41.415 3.041 -25.797 1.00 36.75 ATOM 1442 HD2 LYS 95 39.809 2.531 -25.269 1.00 34.43 ATOM 1443 CE LYS 95 39.943 4.584 -25.787 1.00 60.25 ATOM 1444 HE1 LYS 95 40.211 4.891 -24.787 1.00 36.75 ATOM 1445 HE2 LYS 95 38.873 4.667 -25.913 1.00 74.53 ATOM 1446 NZ LYS 95 40.618 5.481 -26.766 1.00 33.00 ATOM 1447 HZ1 LYS 95 41.631 5.248 -26.847 1.00 72.42 ATOM 1448 HZ2 LYS 95 40.533 6.469 -26.453 1.00 65.33 ATOM 1449 HZ3 LYS 95 40.174 5.394 -27.701 1.00 1.53 ATOM 1450 C LYS 95 40.704 -1.150 -27.862 1.00 62.33 ATOM 1451 O LYS 95 40.621 -1.583 -29.013 1.00 33.15 ATOM 1452 N LEU 96 41.464 -1.716 -26.931 1.00 11.43 ATOM 1453 HN LEU 96 41.514 -1.316 -26.032 1.00 36.75 ATOM 1454 CA LEU 96 42.262 -2.904 -27.212 1.00 32.23 ATOM 1455 HA LEU 96 42.999 -2.643 -27.958 1.00 62.24 ATOM 1456 CB LEU 96 42.983 -3.369 -25.945 1.00 71.54 ATOM 1457 HB1 LEU 96 42.239 -3.458 -25.173 1.00 36.75 ATOM 1458 HB2 LEU 96 43.676 -2.600 -25.662 1.00 10.12 ATOM 1459 CG LEU 96 43.725 -4.703 -26.047 1.00 13.31 ATOM 1460 HG LEU 96 43.080 -5.451 -26.481 1.00 71.32 ATOM 1461 CD1 LEU 96 44.945 -4.567 -26.944 1.00 24.52 ATOM 1462 HD11 LEU 96 45.630 -3.846 -26.520 1.00 21.43 ATOM 1463 HD12 LEU 96 44.637 -4.234 -27.924 1.00 45.50 ATOM 1464 HD13 LEU 96 45.440 -5.524 -27.032 1.00 24.14 ATOM 1465 CD2 LEU 96 44.128 -5.195 -24.665 1.00 21.23 ATOM 1466 HD21 LEU 96 45.163 -4.963 -24.462 1.00 52.55 ATOM 1467 HD22 LEU 96 43.997 -6.264 -24.627 1.00 60.12 ATOM 1468 HD23 LEU 96 43.505 -4.744 -23.902 1.00 1.22 ATOM 1469 C LEU 96 41.389 -4.030 -27.756 1.00 74.11 ATOM 1470 O LEU 96 41.737 -4.675 -28.744 1.00 73.24 ATOM 1471 N GLU 97 40.252 -4.258 -27.105 1.00 61.33 ATOM 1472 HN GLU 97 40.040 -3.712 -26.313 1.00 36.75 ATOM 1473 CA GLU 97 39.329 -5.306 -27.526 1.00 12.51 ATOM 1474 HA GLU 97 39.898 -6.209 -27.713 1.00 41.44 ATOM 1475 CB GLU 97 38.310 -5.592 -26.421 1.00 13.20 ATOM 1476 HB1 GLU 97 38.805 -6.045 -25.606 1.00 36.75 ATOM 1477 HB2 GLU 97 37.574 -6.291 -26.799 1.00 53.05 ATOM 1478 CG GLU 97 37.607 -4.348 -25.904 1.00 2.23 ATOM 1479 HG1 GLU 97 37.626 -3.578 -26.644 1.00 36.75 ATOM 1480 HG2 GLU 97 38.118 -4.009 -25.023 1.00 3.21 ATOM 1481 CD GLU 97 36.159 -4.606 -25.535 1.00 23.45 ATOM 1482 OE1 GLU 97 35.434 -5.201 -26.360 1.00 4.32 ATOM 1483 OE2 GLU 97 35.751 -4.215 -24.421 1.00 42.24 ATOM 1484 C GLU 97 38.605 -4.910 -28.810 1.00 4.41 ATOM 1485 O GLU 97 38.252 -5.762 -29.625 1.00 64.55 ATOM 1486 N LEU 98 38.387 -3.611 -28.982 1.00 44.44 ATOM 1487 HN LEU 98 38.697 -2.971 -28.304 1.00 36.75 ATOM 1488 CA LEU 98 37.705 -3.100 -30.167 1.00 5.24 ATOM 1489 HA LEU 98 36.821 -3.675 -30.304 1.00 24.14 ATOM 1490 CB LEU 98 37.324 -1.632 -29.966 1.00 71.13 ATOM 1491 HB1 LEU 98 37.514 -1.085 -30.884 1.00 36.75 ATOM 1492 HB2 LEU 98 37.958 -1.213 -29.203 1.00 24.15 ATOM 1493 CG LEU 98 35.874 -1.365 -29.563 1.00 15.32 ATOM 1494 HG LEU 98 35.753 -0.311 -29.358 1.00 1.21 ATOM 1495 CD1 LEU 98 34.928 -1.734 -30.695 1.00 33.01 ATOM 1496 HD11 LEU 98 35.112 -2.735 -31.024 1.00 75.22 ATOM 1497 HD12 LEU 98 35.087 -1.058 -31.521 1.00 71.11 ATOM 1498 HD13 LEU 98 33.902 -1.647 -30.361 1.00 73.52 ATOM 1499 CD2 LEU 98 35.521 -2.135 -28.298 1.00 41.53 ATOM 1500 HD21 LEU 98 36.167 -1.842 -27.504 1.00 3.32 ATOM 1501 HD22 LEU 98 35.619 -3.197 -28.468 1.00 0.21 ATOM 1502 HD23 LEU 98 34.499 -1.915 -28.019 1.00 30.23 ATOM 1503 C LEU 98 38.584 -3.244 -31.405 1.00 74.34 ATOM 1504 O LEU 98 38.096 -3.557 -32.491 1.00 73.13 ATOM 1505 N SER 99 39.882 -3.017 -31.234 1.00 11.50 ATOM 1506 HN SER 99 40.219 -2.766 -30.343 1.00 36.75 ATOM 1507 CA SER 99 40.828 -3.120 -32.338 1.00 44.24 ATOM 1508 HA SER 99 40.478 -2.515 -33.138 1.00 34.13 ATOM 1509 CB SER 99 42.199 -2.589 -31.914 1.00 42.14 ATOM 1510 HB1 SER 99 42.740 -3.347 -31.385 1.00 36.75 ATOM 1511 HB2 SER 99 42.065 -1.734 -31.266 1.00 23.14 ATOM 1512 OG SER 99 42.956 -2.175 -33.039 1.00 21.51 ATOM 1513 HG SER 99 43.728 -1.686 -32.744 1.00 25.22 ATOM 1514 C SER 99 40.954 -4.564 -32.813 1.00 23.43 ATOM 1515 O SER 99 41.204 -4.824 -33.991 1.00 25.05 ATOM 1516 N LEU 100 40.779 -5.501 -31.887 1.00 64.45 ATOM 1517 HN LEU 100 40.588 -5.242 -30.956 1.00 36.75 ATOM 1518 CA LEU 100 40.873 -6.921 -32.209 1.00 60.21 ATOM 1519 HA LEU 100 41.702 -7.065 -32.893 1.00 53.41 ATOM 1520 CB LEU 100 41.137 -7.735 -30.941 1.00 74.21 ATOM 1521 HB1 LEU 100 40.936 -8.782 -31.148 1.00 36.75 ATOM 1522 HB2 LEU 100 40.424 -7.404 -30.195 1.00 24.25 ATOM 1523 CG LEU 100 42.543 -7.624 -30.353 1.00 24.15 ATOM 1524 HG LEU 100 42.884 -6.611 -30.439 1.00 33.53 ATOM 1525 CD1 LEU 100 42.534 -7.983 -28.875 1.00 33.52 ATOM 1526 HD11 LEU 100 41.896 -7.293 -28.341 1.00 23.43 ATOM 1527 HD12 LEU 100 43.537 -7.918 -28.477 1.00 55.12 ATOM 1528 HD13 LEU 100 42.159 -8.988 -28.748 1.00 51.32 ATOM 1529 CD2 LEU 100 43.512 -8.517 -31.114 1.00 43.10 ATOM 1530 HD21 LEU 100 43.362 -8.405 -32.181 1.00 25.21 ATOM 1531 HD22 LEU 100 43.354 -9.548 -30.834 1.00 21.30 ATOM 1532 HD23 LEU 100 44.524 -8.231 -30.869 1.00 31.20 ATOM 1533 C LEU 100 39.597 -7.412 -32.886 1.00 10.52 ATOM 1534 O LEU 100 39.646 -8.038 -33.944 1.00 43.52 ATOM 1535 N GLN 101 38.457 -7.120 -32.268 1.00 75.55 ATOM 1536 HN GLN 101 38.482 -6.612 -31.421 1.00 36.75 ATOM 1537 CA GLN 101 37.168 -7.531 -32.813 1.00 15.23 ATOM 1538 HA GLN 101 37.181 -8.588 -32.932 1.00 41.33 ATOM 1539 CB GLN 101 36.043 -7.175 -31.839 1.00 55.13 ATOM 1540 HB1 GLN 101 36.315 -7.534 -30.855 1.00 36.75 ATOM 1541 HB2 GLN 101 35.138 -7.673 -32.157 1.00 52.10 ATOM 1542 CG GLN 101 35.762 -5.683 -31.753 1.00 22.33 ATOM 1543 HG1 GLN 101 35.298 -5.357 -32.673 1.00 36.75 ATOM 1544 HG2 GLN 101 36.693 -5.178 -31.627 1.00 43.01 ATOM 1545 CD GLN 101 34.859 -5.326 -30.589 1.00 14.00 ATOM 1546 OE1 GLN 101 35.223 -5.507 -29.427 1.00 30.02 ATOM 1547 NE2 GLN 101 33.672 -4.815 -30.896 1.00 1.23 ATOM 1548 HE21 GLN 101 33.430 -4.691 -31.842 1.00 1.03 ATOM 1549 HE22 GLN 101 33.075 -4.578 -30.156 1.00 52.34 ATOM 1550 C GLN 101 36.913 -6.873 -34.165 1.00 1.21 ATOM 1551 O GLN 101 36.289 -7.464 -35.045 1.00 65.24 ATOM 1552 N GLU 102 37.400 -5.646 -34.321 1.00 41.33 ATOM 1553 HN GLU 102 37.888 -5.214 -33.581 1.00 36.75 ATOM 1554 CA GLU 102 37.224 -4.908 -35.566 1.00 54.45 ATOM 1555 HA GLU 102 36.219 -5.070 -35.917 1.00 61.33 ATOM 1556 CB GLU 102 37.401 -3.407 -35.325 1.00 64.14 ATOM 1557 HB1 GLU 102 36.885 -3.129 -34.420 1.00 36.75 ATOM 1558 HB2 GLU 102 36.954 -2.876 -36.154 1.00 45.15 ATOM 1559 CG GLU 102 38.855 -2.976 -35.221 1.00 15.55 ATOM 1560 HG1 GLU 102 39.345 -3.163 -36.164 1.00 36.75 ATOM 1561 HG2 GLU 102 39.320 -3.544 -34.471 1.00 34.25 ATOM 1562 CD GLU 102 39.004 -1.499 -34.909 1.00 35.12 ATOM 1563 OE1 GLU 102 38.604 -1.083 -33.801 1.00 43.34 ATOM 1564 OE2 GLU 102 39.520 -0.760 -35.773 1.00 70.11 ATOM 1565 C GLU 102 38.213 -5.384 -36.626 1.00 75.44 ATOM 1566 O GLU 102 37.933 -5.324 -37.825 1.00 21.15 ATOM 1567 N LEU 103 39.370 -5.857 -36.177 1.00 34.50 ATOM 1568 HN LEU 103 39.550 -5.876 -35.209 1.00 36.75 ATOM 1569 CA LEU 103 40.402 -6.345 -37.086 1.00 13.44 ATOM 1570 HA LEU 103 40.479 -5.657 -37.920 1.00 62.02 ATOM 1571 CB LEU 103 41.754 -6.397 -36.372 1.00 72.10 ATOM 1572 HB1 LEU 103 41.589 -6.796 -35.380 1.00 36.75 ATOM 1573 HB2 LEU 103 42.124 -5.399 -36.277 1.00 70.23 ATOM 1574 CG LEU 103 42.835 -7.244 -37.044 1.00 70.11 ATOM 1575 HG LEU 103 42.489 -8.261 -37.153 1.00 52.00 ATOM 1576 CD1 LEU 103 43.150 -6.705 -38.431 1.00 4.13 ATOM 1577 HD11 LEU 103 43.897 -7.331 -38.900 1.00 13.32 ATOM 1578 HD12 LEU 103 43.531 -5.696 -38.351 1.00 1.13 ATOM 1579 HD13 LEU 103 42.261 -6.700 -39.040 1.00 51.14 ATOM 1580 CD2 LEU 103 44.091 -7.283 -36.187 1.00 25.44 ATOM 1581 HD21 LEU 103 43.854 -7.695 -35.216 1.00 34.23 ATOM 1582 HD22 LEU 103 44.483 -6.282 -36.066 1.00 74.42 ATOM 1583 HD23 LEU 103 44.837 -7.905 -36.664 1.00 51.03 ATOM 1584 C LEU 103 40.045 -7.726 -37.625 1.00 54.11 ATOM 1585 O LEU 103 40.314 -8.038 -38.785 1.00 24.05 ATOM 1586 N GLN 104 39.435 -8.547 -36.777 1.00 32.44 ATOM 1587 HN GLN 104 39.274 -8.248 -35.855 1.00 36.75 ATOM 1588 CA GLN 104 39.039 -9.895 -37.169 1.00 44.35 ATOM 1589 HA GLN 104 39.880 -10.368 -37.661 1.00 73.04 ATOM 1590 CB GLN 104 38.669 -10.720 -35.936 1.00 65.41 ATOM 1591 HB1 GLN 104 39.533 -10.780 -35.291 1.00 36.75 ATOM 1592 HB2 GLN 104 38.397 -11.720 -36.249 1.00 43.23 ATOM 1593 CG GLN 104 37.519 -10.134 -35.134 1.00 3.33 ATOM 1594 HG1 GLN 104 36.662 -10.023 -35.769 1.00 36.75 ATOM 1595 HG2 GLN 104 37.823 -9.195 -34.777 1.00 44.52 ATOM 1596 CD GLN 104 37.128 -11.002 -33.954 1.00 4.52 ATOM 1597 OE1 GLN 104 36.113 -11.697 -33.989 1.00 53.23 ATOM 1598 NE2 GLN 104 37.935 -10.966 -32.899 1.00 52.15 ATOM 1599 HE21 GLN 104 38.734 -10.392 -32.926 1.00 12.34 ATOM 1600 HE22 GLN 104 37.699 -11.520 -32.126 1.00 32.23 ATOM 1601 C GLN 104 37.864 -9.856 -38.141 1.00 44.30 ATOM 1602 O GLN 104 37.516 -10.867 -38.751 1.00 11.21 ATOM 1603 N VAL 105 37.257 -8.682 -38.280 1.00 54.22 ATOM 1604 HN VAL 105 37.531 -7.923 -37.740 1.00 36.75 ATOM 1605 CA VAL 105 36.121 -8.511 -39.178 1.00 52.42 ATOM 1606 HA VAL 105 35.846 -9.471 -39.604 1.00 41.15 ATOM 1607 CB VAL 105 34.893 -7.957 -38.431 1.00 41.41 ATOM 1608 HB VAL 105 34.092 -7.801 -39.143 1.00 21.34 ATOM 1609 CG1 VAL 105 34.404 -8.955 -37.394 1.00 34.43 ATOM 1610 HG11 VAL 105 33.485 -8.594 -36.955 1.00 61.10 ATOM 1611 HG12 VAL 105 35.144 -9.069 -36.623 1.00 74.35 ATOM 1612 HG13 VAL 105 34.222 -9.912 -37.863 1.00 2.45 ATOM 1613 CG2 VAL 105 35.223 -6.620 -37.783 1.00 34.40 ATOM 1614 HG21 VAL 105 36.029 -6.750 -37.110 1.00 64.31 ATOM 1615 HG22 VAL 105 34.361 -6.257 -37.241 1.00 63.44 ATOM 1616 HG23 VAL 105 35.493 -5.896 -38.537 1.00 71.43 ATOM 1617 C VAL 105 36.467 -7.573 -40.330 1.00 20.34 ATOM 1618 O VAL 105 35.826 -7.600 -41.380 1.00 33.21 ATOM 1619 N SER 106 37.486 -6.745 -40.125 1.00 41.21 ATOM 1620 HN SER 106 37.972 -6.750 -39.276 1.00 36.75 ATOM 1621 CA SER 106 37.916 -5.796 -41.145 1.00 44.22 ATOM 1622 HA SER 106 37.195 -5.784 -41.953 1.00 44.01 ATOM 1623 CB SER 106 37.998 -4.385 -40.558 1.00 33.41 ATOM 1624 HB1 SER 106 38.268 -3.689 -41.341 1.00 36.75 ATOM 1625 HB2 SER 106 38.746 -4.352 -39.782 1.00 64.11 ATOM 1626 OG SER 106 36.750 -3.985 -40.018 1.00 22.10 ATOM 1627 HG SER 106 36.868 -3.190 -39.493 1.00 3.23 ATOM 1628 C SER 106 39.270 -6.197 -41.724 1.00 11.31 ATOM 1629 O SER 106 39.954 -5.387 -42.349 1.00 64.23 ATOM 1630 N SER 107 39.649 -7.453 -41.510 1.00 42.40 ATOM 1631 HN SER 107 39.056 -8.073 -41.033 1.00 36.75 ATOM 1632 CA SER 107 40.922 -7.962 -42.006 1.00 43.44 ATOM 1633 HA SER 107 41.679 -7.201 -41.857 1.00 4.25 ATOM 1634 CB SER 107 41.333 -9.214 -41.230 1.00 34.32 ATOM 1635 HB1 SER 107 41.825 -8.924 -40.317 1.00 36.75 ATOM 1636 HB2 SER 107 42.017 -9.810 -41.820 1.00 5.40 ATOM 1637 OG SER 107 40.203 -10.009 -40.910 1.00 4.52 ATOM 1638 HG SER 107 40.457 -10.688 -40.281 1.00 23.31 ATOM 1639 C SER 107 40.837 -8.278 -43.496 1.00 70.44 ATOM 1640 O SER 107 41.327 -7.520 -44.332 1.00 54.25 ATOM 1641 N ALA 108 40.211 -9.405 -43.820 1.00 62.34 ATOM 1642 HN ALA 108 39.809 -9.970 -43.124 1.00 36.75 ATOM 1643 CA ALA 108 40.059 -9.823 -45.209 1.00 2.34 ATOM 1644 HA ALA 108 39.693 -10.840 -45.213 1.00 71.33 ATOM 1645 CB ALA 108 39.033 -8.948 -45.913 1.00 42.35 ATOM 1646 HB1 ALA 108 38.886 -9.301 -46.924 1.00 63.30 ATOM 1647 HB2 ALA 108 39.381 -7.925 -45.935 1.00 30.23 ATOM 1648 HB3 ALA 108 38.096 -8.995 -45.378 1.00 3.20 ATOM 1649 C ALA 108 41.393 -9.775 -45.945 1.00 44.05 ATOM 1650 O ALA 108 41.438 -9.541 -47.153 1.00 4.33 ATOM 1651 N ALA 109 42.478 -9.998 -45.211 1.00 2.03 ATOM 1652 HN ALA 109 42.399 -10.175 -44.250 1.00 36.75 ATOM 1653 CA ALA 109 43.813 -9.982 -45.795 1.00 43.43 ATOM 1654 HA ALA 109 43.737 -9.870 -46.870 1.00 42.14 ATOM 1655 CB ALA 109 44.606 -8.796 -45.266 1.00 45.24 ATOM 1656 HB1 ALA 109 45.198 -9.082 -44.406 1.00 54.23 ATOM 1657 HB2 ALA 109 43.927 -8.005 -44.977 1.00 75.04 ATOM 1658 HB3 ALA 109 45.252 -8.429 -46.043 1.00 22.15 ATOM 1659 C ALA 109 44.553 -11.284 -45.511 1.00 21.40 ATOM 1660 O ALA 109 45.673 -11.488 -45.978 1.00 4.42 ATOM 1661 N ALA 110 43.919 -12.164 -44.742 1.00 3.41 ATOM 1662 HN ALA 110 43.026 -11.982 -44.397 1.00 36.75 ATOM 1663 CA ALA 110 44.517 -13.447 -44.397 1.00 22.33 ATOM 1664 HA ALA 110 43.871 -13.933 -43.680 1.00 43.44 ATOM 1665 CB ALA 110 44.610 -14.335 -45.629 1.00 43.31 ATOM 1666 HB1 ALA 110 43.629 -14.439 -46.069 1.00 32.21 ATOM 1667 HB2 ALA 110 44.979 -15.311 -45.346 1.00 44.12 ATOM 1668 HB3 ALA 110 45.281 -13.892 -46.351 1.00 53.14 ATOM 1669 C ALA 110 45.896 -13.261 -43.772 1.00 14.44 ATOM 1670 O ALA 110 46.743 -14.150 -43.836 1.00 34.55 ATOM 1671 N GLY 111 46.114 -12.096 -43.168 1.00 32.34 ATOM 1672 HN GLY 111 45.399 -11.433 -43.077 1.00 36.75 ATOM 1673 CA GLY 111 47.392 -11.814 -42.540 1.00 53.15 ATOM 1674 HA1 GLY 111 47.873 -12.736 -42.253 1.00 36.75 ATOM 1675 HA2 GLY 111 47.215 -11.232 -41.647 1.00 23.24 ATOM 1676 C GLY 111 48.329 -11.050 -43.454 1.00 5.21 ATOM 1677 O GLY 111 48.945 -11.629 -44.349 1.00 74.13 ATOM 1678 N VAL 112 48.439 -9.744 -43.229 1.00 74.24 ATOM 1679 HN VAL 112 47.911 -9.328 -42.506 1.00 36.75 ATOM 1680 CA VAL 112 49.308 -8.899 -44.040 1.00 34.15 ATOM 1681 HA VAL 112 50.058 -9.536 -44.485 1.00 42.23 ATOM 1682 CB VAL 112 48.526 -8.221 -45.180 1.00 41.24 ATOM 1683 HB VAL 112 47.799 -7.561 -44.752 1.00 34.34 ATOM 1684 CG1 VAL 112 49.462 -7.403 -46.057 1.00 25.21 ATOM 1685 HG11 VAL 112 49.987 -6.665 -45.471 1.00 30.24 ATOM 1686 HG12 VAL 112 48.882 -6.895 -46.815 1.00 22.51 ATOM 1687 HG13 VAL 112 50.172 -8.056 -46.540 1.00 13.00 ATOM 1688 CG2 VAL 112 47.781 -9.259 -46.006 1.00 13.14 ATOM 1689 HG21 VAL 112 47.266 -8.774 -46.824 1.00 43.44 ATOM 1690 HG22 VAL 112 47.067 -9.758 -45.387 1.00 41.53 ATOM 1691 HG23 VAL 112 48.481 -9.981 -46.403 1.00 63.42 ATOM 1692 C VAL 112 49.978 -7.826 -43.190 1.00 3.15 ATOM 1693 O VAL 112 49.340 -7.146 -42.386 1.00 34.10 ATOM 1694 N PRO 113 51.298 -7.668 -43.369 1.00 41.24 ATOM 1695 CA PRO 113 52.085 -6.677 -42.629 1.00 31.44 ATOM 1696 HA PRO 113 51.951 -6.790 -41.561 1.00 22.31 ATOM 1697 CB PRO 113 53.530 -7.024 -42.997 1.00 75.41 ATOM 1698 HB1 PRO 113 53.935 -7.681 -42.250 1.00 36.75 ATOM 1699 HB2 PRO 113 54.138 -6.128 -43.053 1.00 32.22 ATOM 1700 CG PRO 113 53.431 -7.700 -44.321 1.00 72.12 ATOM 1701 HG1 PRO 113 54.253 -8.390 -44.444 1.00 36.75 ATOM 1702 HG2 PRO 113 53.437 -6.963 -45.111 1.00 2.15 ATOM 1703 CD PRO 113 52.124 -8.443 -44.310 1.00 73.34 ATOM 1704 HD1 PRO 113 52.270 -9.452 -43.952 1.00 36.75 ATOM 1705 HD2 PRO 113 51.711 -8.454 -45.294 1.00 33.34 ATOM 1706 C PRO 113 51.758 -5.248 -43.045 1.00 54.43 ATOM 1707 O PRO 113 51.878 -4.889 -44.216 1.00 15.00 ATOM 1708 N GLY 114 51.344 -4.434 -42.078 1.00 52.04 ATOM 1709 HN GLY 114 51.263 -4.764 -41.155 1.00 36.75 ATOM 1710 CA GLY 114 51.006 -3.052 -42.366 1.00 20.15 ATOM 1711 HA1 GLY 114 51.909 -2.516 -42.621 1.00 36.75 ATOM 1712 HA2 GLY 114 50.575 -2.607 -41.481 1.00 1.22 ATOM 1713 C GLY 114 50.020 -2.922 -43.509 1.00 41.05 ATOM 1714 O GLY 114 50.323 -2.310 -44.535 1.00 21.44 ATOM 1715 N THR 115 48.835 -3.500 -43.336 1.00 44.04 ATOM 1716 HN THR 115 48.652 -3.961 -42.491 1.00 36.75 ATOM 1717 CA THR 115 47.803 -3.448 -44.363 1.00 75.54 ATOM 1718 HA THR 115 48.225 -3.055 -45.281 1.00 30.51 ATOM 1719 CB THR 115 47.248 -4.852 -44.673 1.00 15.42 ATOM 1720 HB THR 115 48.039 -5.440 -45.091 1.00 35.23 ATOM 1721 OG1 THR 115 46.179 -4.758 -45.621 1.00 51.53 ATOM 1722 HG1 THR 115 46.540 -4.671 -46.507 1.00 44.22 ATOM 1723 CG2 THR 115 46.749 -5.528 -43.405 1.00 32.12 ATOM 1724 HG21 THR 115 46.000 -4.922 -42.924 1.00 50.32 ATOM 1725 HG22 THR 115 47.569 -5.690 -42.742 1.00 1.15 ATOM 1726 HG23 THR 115 46.312 -6.481 -43.663 1.00 71.11 ATOM 1727 C THR 115 46.652 -2.541 -43.941 1.00 65.25 ATOM 1728 O THR 115 46.009 -1.910 -44.778 1.00 54.13 ATOM 1729 N ASN 116 46.400 -2.481 -42.638 1.00 3.51 ATOM 1730 HN ASN 116 46.925 -2.994 -42.023 1.00 36.75 ATOM 1731 CA ASN 116 45.327 -1.649 -42.105 1.00 71.40 ATOM 1732 HA ASN 116 45.025 -0.950 -42.875 1.00 3.23 ATOM 1733 CB ASN 116 44.131 -2.517 -41.708 1.00 21.22 ATOM 1734 HB1 ASN 116 43.540 -2.021 -40.950 1.00 36.75 ATOM 1735 HB2 ASN 116 44.497 -3.450 -41.301 1.00 62.34 ATOM 1736 CG ASN 116 43.224 -2.825 -42.884 1.00 24.44 ATOM 1737 OD1 ASN 116 42.976 -1.968 -43.732 1.00 22.32 ATOM 1738 ND2 ASN 116 42.725 -4.055 -42.939 1.00 13.50 ATOM 1739 HD21 ASN 116 42.957 -4.700 -42.233 1.00 55.02 ATOM 1740 HD22 ASN 116 42.137 -4.274 -43.692 1.00 20.00 ATOM 1741 C ASN 116 45.808 -0.845 -40.901 1.00 62.21 ATOM 1742 O ASN 116 46.803 -1.179 -40.258 1.00 23.33 ATOM 1743 N PRO 117 45.086 0.241 -40.588 1.00 33.53 ATOM 1744 CA PRO 117 45.419 1.114 -39.459 1.00 11.32 ATOM 1745 HA PRO 117 46.431 1.454 -39.511 1.00 23.43 ATOM 1746 CB PRO 117 44.475 2.305 -39.642 1.00 1.53 ATOM 1747 HB1 PRO 117 44.981 3.077 -40.202 1.00 36.75 ATOM 1748 HB2 PRO 117 44.163 2.702 -38.683 1.00 14.11 ATOM 1749 CG PRO 117 43.321 1.760 -40.409 1.00 73.20 ATOM 1750 HG1 PRO 117 42.866 2.545 -40.995 1.00 36.75 ATOM 1751 HG2 PRO 117 42.599 1.330 -39.730 1.00 23.20 ATOM 1752 CD PRO 117 43.887 0.698 -41.311 1.00 5.41 ATOM 1753 HD1 PRO 117 44.152 1.121 -42.269 1.00 36.75 ATOM 1754 HD2 PRO 117 43.168 -0.087 -41.436 1.00 63.22 ATOM 1755 C PRO 117 45.173 0.442 -38.113 1.00 21.43 ATOM 1756 O PRO 117 45.832 0.755 -37.121 1.00 53.20 ATOM 1757 N VAL 118 44.221 -0.486 -38.085 1.00 10.32 ATOM 1758 HN VAL 118 43.750 -0.708 -38.914 1.00 36.75 ATOM 1759 CA VAL 118 43.889 -1.204 -36.860 1.00 62.22 ATOM 1760 HA VAL 118 43.535 -0.480 -36.137 1.00 51.34 ATOM 1761 CB VAL 118 42.773 -2.238 -37.101 1.00 11.22 ATOM 1762 HB VAL 118 43.164 -3.036 -37.720 1.00 45.43 ATOM 1763 CG1 VAL 118 42.311 -2.842 -35.783 1.00 44.04 ATOM 1764 HG11 VAL 118 43.118 -3.382 -35.314 1.00 23.44 ATOM 1765 HG12 VAL 118 41.491 -3.515 -35.971 1.00 25.12 ATOM 1766 HG13 VAL 118 41.972 -2.053 -35.131 1.00 31.14 ATOM 1767 CG2 VAL 118 41.607 -1.600 -37.842 1.00 4.14 ATOM 1768 HG21 VAL 118 41.350 -0.655 -37.385 1.00 75.24 ATOM 1769 HG22 VAL 118 40.747 -2.257 -37.809 1.00 12.33 ATOM 1770 HG23 VAL 118 41.878 -1.436 -38.872 1.00 22.51 ATOM 1771 C VAL 118 45.112 -1.916 -36.292 1.00 50.13 ATOM 1772 O VAL 118 45.416 -1.799 -35.104 1.00 72.53 ATOM 1773 N LEU 119 45.811 -2.653 -37.148 1.00 61.02 ATOM 1774 HN LEU 119 45.526 -2.682 -38.089 1.00 36.75 ATOM 1775 CA LEU 119 47.003 -3.384 -36.732 1.00 71.44 ATOM 1776 HA LEU 119 46.694 -4.167 -36.055 1.00 4.43 ATOM 1777 CB LEU 119 47.685 -4.019 -37.946 1.00 1.13 ATOM 1778 HB1 LEU 119 48.524 -4.609 -37.594 1.00 36.75 ATOM 1779 HB2 LEU 119 48.081 -3.210 -38.553 1.00 74.14 ATOM 1780 CG LEU 119 46.800 -4.897 -38.830 1.00 73.25 ATOM 1781 HG LEU 119 45.781 -4.545 -38.809 1.00 41.33 ATOM 1782 CD1 LEU 119 47.265 -4.839 -40.277 1.00 5.20 ATOM 1783 HD11 LEU 119 47.400 -3.814 -40.570 1.00 40.35 ATOM 1784 HD12 LEU 119 46.511 -5.293 -40.885 1.00 20.12 ATOM 1785 HD13 LEU 119 48.199 -5.374 -40.392 1.00 64.31 ATOM 1786 CD2 LEU 119 46.799 -6.333 -38.326 1.00 52.11 ATOM 1787 HD21 LEU 119 47.801 -6.737 -38.372 1.00 70.41 ATOM 1788 HD22 LEU 119 46.142 -6.933 -38.940 1.00 44.53 ATOM 1789 HD23 LEU 119 46.450 -6.358 -37.303 1.00 21.50 ATOM 1790 C LEU 119 47.981 -2.465 -36.008 1.00 32.01 ATOM 1791 O LEU 119 48.492 -2.803 -34.941 1.00 74.31 ATOM 1792 N ASN 120 48.235 -1.300 -36.594 1.00 50.25 ATOM 1793 HN ASN 120 47.757 -1.074 -37.425 1.00 36.75 ATOM 1794 CA ASN 120 49.150 -0.330 -36.004 1.00 25.32 ATOM 1795 HA ASN 120 50.071 -0.841 -35.752 1.00 35.52 ATOM 1796 CB ASN 120 49.466 0.781 -37.007 1.00 10.23 ATOM 1797 HB1 ASN 120 50.406 1.239 -36.735 1.00 36.75 ATOM 1798 HB2 ASN 120 48.685 1.533 -36.976 1.00 21.23 ATOM 1799 CG ASN 120 49.585 0.262 -38.427 1.00 2.14 ATOM 1800 OD1 ASN 120 50.302 -0.704 -38.688 1.00 33.42 ATOM 1801 ND2 ASN 120 48.882 0.904 -39.352 1.00 72.11 ATOM 1802 HD21 ASN 120 48.337 1.674 -39.087 1.00 72.22 ATOM 1803 HD22 ASN 120 48.937 0.578 -40.275 1.00 71.12 ATOM 1804 C ASN 120 48.560 0.270 -34.731 1.00 64.03 ATOM 1805 O ASN 120 49.289 0.633 -33.809 1.00 34.13 ATOM 1806 N ASN 121 47.236 0.370 -34.690 1.00 53.51 ATOM 1807 HN ASN 121 46.703 0.094 -35.466 1.00 36.75 ATOM 1808 CA ASN 121 46.547 0.927 -33.531 1.00 22.41 ATOM 1809 HA ASN 121 46.989 1.889 -33.304 1.00 13.12 ATOM 1810 CB ASN 121 45.058 1.103 -33.833 1.00 14.03 ATOM 1811 HB1 ASN 121 44.491 1.088 -32.909 1.00 36.75 ATOM 1812 HB2 ASN 121 44.718 0.301 -34.462 1.00 15.41 ATOM 1813 CG ASN 121 44.761 2.416 -34.532 1.00 71.51 ATOM 1814 OD1 ASN 121 45.515 3.381 -34.410 1.00 62.14 ATOM 1815 ND2 ASN 121 43.657 2.457 -35.269 1.00 62.44 ATOM 1816 HD21 ASN 121 43.091 1.654 -35.330 1.00 52.23 ATOM 1817 HD22 ASN 121 43.447 3.296 -35.729 1.00 73.40 ATOM 1818 C ASN 121 46.727 0.030 -32.310 1.00 3.35 ATOM 1819 O ASN 121 46.922 0.514 -31.194 1.00 15.44 ATOM 1820 N LEU 122 46.662 -1.278 -32.528 1.00 62.42 ATOM 1821 HN LEU 122 46.484 -1.610 -33.440 1.00 36.75 ATOM 1822 CA LEU 122 46.819 -2.244 -31.446 1.00 12.32 ATOM 1823 HA LEU 122 46.003 -2.097 -30.757 1.00 11.12 ATOM 1824 CB LEU 122 46.781 -3.670 -31.998 1.00 43.32 ATOM 1825 HB1 LEU 122 47.434 -4.300 -31.401 1.00 36.75 ATOM 1826 HB2 LEU 122 47.180 -3.648 -33.005 1.00 71.40 ATOM 1827 CG LEU 122 45.406 -4.336 -32.043 1.00 31.23 ATOM 1828 HG LEU 122 44.712 -3.677 -32.533 1.00 51.23 ATOM 1829 CD1 LEU 122 45.465 -5.629 -32.842 1.00 13.13 ATOM 1830 HD11 LEU 122 46.152 -6.319 -32.371 1.00 22.14 ATOM 1831 HD12 LEU 122 45.802 -5.418 -33.848 1.00 64.34 ATOM 1832 HD13 LEU 122 44.481 -6.075 -32.884 1.00 61.52 ATOM 1833 CD2 LEU 122 44.896 -4.601 -30.634 1.00 13.24 ATOM 1834 HD21 LEU 122 45.553 -5.298 -30.132 1.00 44.05 ATOM 1835 HD22 LEU 122 43.908 -5.015 -30.686 1.00 32.23 ATOM 1836 HD23 LEU 122 44.859 -3.679 -30.075 1.00 34.41 ATOM 1837 C LEU 122 48.126 -2.012 -30.694 1.00 54.30 ATOM 1838 O LEU 122 48.173 -2.102 -29.466 1.00 54.44 ATOM 1839 N LEU 123 49.184 -1.711 -31.438 1.00 4.12 ATOM 1840 HN LEU 123 49.093 -1.669 -32.419 1.00 36.75 ATOM 1841 CA LEU 123 50.493 -1.463 -30.842 1.00 34.13 ATOM 1842 HA LEU 123 50.816 -2.372 -30.354 1.00 54.24 ATOM 1843 CB LEU 123 51.508 -1.097 -31.926 1.00 12.22 ATOM 1844 HB1 LEU 123 51.070 -0.323 -32.534 1.00 36.75 ATOM 1845 HB2 LEU 123 51.677 -1.951 -32.549 1.00 21.53 ATOM 1846 CG LEU 123 52.862 -0.586 -31.432 1.00 52.43 ATOM 1847 HG LEU 123 52.719 0.325 -30.881 1.00 41.54 ATOM 1848 CD1 LEU 123 53.513 -1.604 -30.510 1.00 61.51 ATOM 1849 HD11 LEU 123 54.525 -1.309 -30.289 1.00 62.45 ATOM 1850 HD12 LEU 123 53.528 -2.574 -30.990 1.00 3.32 ATOM 1851 HD13 LEU 123 52.951 -1.670 -29.593 1.00 72.32 ATOM 1852 CD2 LEU 123 53.773 -0.269 -32.609 1.00 24.11 ATOM 1853 HD21 LEU 123 53.306 0.477 -33.238 1.00 0.43 ATOM 1854 HD22 LEU 123 53.949 -1.166 -33.187 1.00 75.33 ATOM 1855 HD23 LEU 123 54.717 0.114 -32.245 1.00 24.54 ATOM 1856 C LEU 123 50.416 -0.348 -29.804 1.00 33.24 ATOM 1857 O LEU 123 50.990 -0.455 -28.720 1.00 12.30 ATOM 1858 N SER 124 49.701 0.720 -30.142 1.00 14.02 ATOM 1859 HN SER 124 49.264 0.752 -31.026 1.00 36.75 ATOM 1860 CA SER 124 49.549 1.856 -29.240 1.00 25.34 ATOM 1861 HA SER 124 50.532 2.150 -28.895 1.00 44.14 ATOM 1862 CB SER 124 48.915 3.038 -29.975 1.00 61.43 ATOM 1863 HB1 SER 124 47.866 2.841 -30.159 1.00 36.75 ATOM 1864 HB2 SER 124 49.420 3.180 -30.919 1.00 41.15 ATOM 1865 OG SER 124 49.034 4.231 -29.221 1.00 2.21 ATOM 1866 HG SER 124 48.350 4.257 -28.547 1.00 74.14 ATOM 1867 C SER 124 48.699 1.479 -28.030 1.00 41.21 ATOM 1868 O SER 124 49.095 1.702 -26.885 1.00 42.35 ATOM 1869 N CYS 125 47.529 0.907 -28.293 1.00 2.54 ATOM 1870 HN CYS 125 47.280 0.741 -29.233 1.00 36.75 ATOM 1871 CA CYS 125 46.621 0.500 -27.226 1.00 40.03 ATOM 1872 HA CYS 125 46.312 1.388 -26.693 1.00 51.54 ATOM 1873 CB CYS 125 45.384 -0.180 -27.814 1.00 72.21 ATOM 1874 HB1 CYS 125 44.721 -0.473 -27.011 1.00 36.75 ATOM 1875 HB2 CYS 125 45.689 -1.061 -28.361 1.00 71.40 ATOM 1876 SG CYS 125 44.437 0.862 -28.948 1.00 40.13 ATOM 1877 HG CYS 125 43.479 0.119 -29.483 1.00 22.03 ATOM 1878 C CYS 125 47.318 -0.441 -26.249 1.00 14.12 ATOM 1879 O CYS 125 47.275 -0.236 -25.036 1.00 14.14 ATOM 1880 N VAL 126 47.958 -1.475 -26.785 1.00 42.21 ATOM 1881 HN VAL 126 47.971 -1.574 -27.764 1.00 36.75 ATOM 1882 CA VAL 126 48.664 -2.448 -25.960 1.00 72.44 ATOM 1883 HA VAL 126 47.960 -2.875 -25.263 1.00 41.04 ATOM 1884 CB VAL 126 49.249 -3.588 -26.815 1.00 23.31 ATOM 1885 HB VAL 126 49.933 -3.161 -27.536 1.00 41.41 ATOM 1886 CG1 VAL 126 50.025 -4.564 -25.944 1.00 21.53 ATOM 1887 HG11 VAL 126 49.416 -4.875 -25.106 1.00 44.34 ATOM 1888 HG12 VAL 126 50.928 -4.097 -25.580 1.00 74.35 ATOM 1889 HG13 VAL 126 50.296 -5.435 -26.526 1.00 41.13 ATOM 1890 CG2 VAL 126 48.144 -4.304 -27.578 1.00 4.54 ATOM 1891 HG21 VAL 126 48.576 -4.820 -28.422 1.00 53.12 ATOM 1892 HG22 VAL 126 47.398 -3.612 -27.931 1.00 52.10 ATOM 1893 HG23 VAL 126 47.665 -5.029 -26.934 1.00 45.24 ATOM 1894 C VAL 126 49.790 -1.788 -25.173 1.00 31.21 ATOM 1895 O VAL 126 49.885 -1.947 -23.956 1.00 60.23 ATOM 1896 N GLN 127 50.640 -1.047 -25.876 1.00 3.14 ATOM 1897 HN GLN 127 50.513 -0.962 -26.852 1.00 36.75 ATOM 1898 CA GLN 127 51.761 -0.362 -25.241 1.00 73.44 ATOM 1899 HA GLN 127 52.447 -1.115 -24.875 1.00 10.42 ATOM 1900 CB GLN 127 52.480 0.530 -26.254 1.00 61.04 ATOM 1901 HB1 GLN 127 53.033 1.301 -25.729 1.00 36.75 ATOM 1902 HB2 GLN 127 51.741 1.005 -26.885 1.00 41.21 ATOM 1903 CG GLN 127 53.466 -0.221 -27.134 1.00 64.02 ATOM 1904 HG1 GLN 127 52.997 -1.120 -27.505 1.00 36.75 ATOM 1905 HG2 GLN 127 54.322 -0.491 -26.532 1.00 31.22 ATOM 1906 CD GLN 127 53.940 0.603 -28.315 1.00 51.12 ATOM 1907 OE1 GLN 127 53.188 1.406 -28.868 1.00 73.02 ATOM 1908 NE2 GLN 127 55.193 0.409 -28.709 1.00 22.25 ATOM 1909 HE21 GLN 127 55.750 -0.246 -28.230 1.00 62.23 ATOM 1910 HE22 GLN 127 55.517 0.933 -29.471 1.00 2.43 ATOM 1911 C GLN 127 51.288 0.473 -24.056 1.00 30.31 ATOM 1912 O GLN 127 51.942 0.514 -23.014 1.00 72.33 ATOM 1913 N GLU 128 50.149 1.137 -24.223 1.00 34.20 ATOM 1914 HN GLU 128 49.670 1.074 -25.083 1.00 36.75 ATOM 1915 CA GLU 128 49.590 1.972 -23.166 1.00 71.21 ATOM 1916 HA GLU 128 50.363 2.647 -22.821 1.00 43.44 ATOM 1917 CB GLU 128 48.421 2.800 -23.704 1.00 61.01 ATOM 1918 HB1 GLU 128 47.734 2.141 -24.215 1.00 36.75 ATOM 1919 HB2 GLU 128 48.802 3.524 -24.409 1.00 71.52 ATOM 1920 CG GLU 128 47.653 3.542 -22.624 1.00 12.14 ATOM 1921 HG1 GLU 128 47.203 2.836 -21.945 1.00 36.75 ATOM 1922 HG2 GLU 128 46.871 4.116 -23.100 1.00 32.50 ATOM 1923 CD GLU 128 48.529 4.496 -21.835 1.00 41.35 ATOM 1924 OE1 GLU 128 48.442 5.719 -22.075 1.00 73.54 ATOM 1925 OE2 GLU 128 49.302 4.020 -20.978 1.00 64.22 ATOM 1926 C GLU 128 49.124 1.120 -21.989 1.00 5.14 ATOM 1927 O GLU 128 49.452 1.404 -20.836 1.00 62.10 ATOM 1928 N ILE 129 48.359 0.076 -22.287 1.00 54.23 ATOM 1929 HN ILE 129 48.148 -0.108 -23.232 1.00 36.75 ATOM 1930 CA ILE 129 47.849 -0.817 -21.254 1.00 54.14 ATOM 1931 HA ILE 129 47.165 -0.253 -20.632 1.00 71.21 ATOM 1932 CB ILE 129 47.084 -2.006 -21.866 1.00 25.24 ATOM 1933 HB ILE 129 47.771 -2.550 -22.502 1.00 5.44 ATOM 1934 CG1 ILE 129 45.900 -1.507 -22.695 1.00 73.23 ATOM 1935 HG11 ILE 129 46.110 -0.535 -23.079 1.00 36.75 ATOM 1936 HG12 ILE 129 45.014 -1.454 -22.079 1.00 64.24 ATOM 1937 CG2 ILE 129 46.611 -2.950 -20.771 1.00 30.53 ATOM 1938 HG21 ILE 129 47.442 -3.525 -20.391 1.00 11.01 ATOM 1939 HG22 ILE 129 45.877 -3.617 -21.182 1.00 75.20 ATOM 1940 HG23 ILE 129 46.160 -2.385 -19.968 1.00 30.12 ATOM 1941 CD1 ILE 129 45.577 -2.391 -23.880 1.00 15.04 ATOM 1942 HD11 ILE 129 46.324 -3.159 -24.008 1.00 35.22 ATOM 1943 HD12 ILE 129 45.513 -1.796 -24.773 1.00 53.12 ATOM 1944 HD13 ILE 129 44.623 -2.851 -23.703 1.00 60.03 ATOM 1945 C ILE 129 48.979 -1.349 -20.380 1.00 42.32 ATOM 1946 O ILE 129 48.877 -1.359 -19.154 1.00 32.45 ATOM 1947 N SER 130 50.058 -1.788 -21.020 1.00 42.11 ATOM 1948 HN SER 130 50.085 -1.754 -22.006 1.00 36.75 ATOM 1949 CA SER 130 51.208 -2.323 -20.301 1.00 64.11 ATOM 1950 HA SER 130 50.853 -3.058 -19.589 1.00 30.13 ATOM 1951 CB SER 130 52.170 -3.009 -21.273 1.00 70.52 ATOM 1952 HB1 SER 130 51.649 -3.803 -21.787 1.00 36.75 ATOM 1953 HB2 SER 130 53.005 -3.425 -20.726 1.00 23.54 ATOM 1954 OG SER 130 52.664 -2.093 -22.235 1.00 35.03 ATOM 1955 HG SER 130 53.366 -2.508 -22.741 1.00 73.45 ATOM 1956 C SER 130 51.937 -1.218 -19.542 1.00 61.14 ATOM 1957 O SER 130 52.367 -1.410 -18.405 1.00 30.41 ATOM 1958 N ASP 131 52.072 -0.061 -20.181 1.00 10.13 ATOM 1959 HN ASP 131 51.723 0.031 -21.099 1.00 36.75 ATOM 1960 CA ASP 131 52.747 1.077 -19.567 1.00 64.40 ATOM 1961 HA ASP 131 53.772 0.785 -19.384 1.00 30.24 ATOM 1962 CB ASP 131 52.725 2.280 -20.511 1.00 0.03 ATOM 1963 HB1 ASP 131 51.743 2.735 -20.511 1.00 36.75 ATOM 1964 HB2 ASP 131 52.960 1.949 -21.507 1.00 4.54 ATOM 1965 CG ASP 131 53.747 3.334 -20.130 1.00 35.53 ATOM 1966 OD1 ASP 131 54.591 3.051 -19.254 1.00 51.42 ATOM 1967 OD2 ASP 131 53.701 4.441 -20.706 1.00 61.55 ATOM 1968 C ASP 131 52.094 1.444 -18.238 1.00 45.12 ATOM 1969 O ASP 131 52.779 1.741 -17.259 1.00 62.50 ATOM 1970 N VAL 132 50.766 1.424 -18.212 1.00 34.20 ATOM 1971 HN VAL 132 50.276 1.175 -19.028 1.00 36.75 ATOM 1972 CA VAL 132 50.020 1.755 -17.004 1.00 33.23 ATOM 1973 HA VAL 132 50.175 2.804 -16.796 1.00 0.14 ATOM 1974 CB VAL 132 48.510 1.517 -17.193 1.00 52.15 ATOM 1975 HB VAL 132 48.344 0.459 -17.316 1.00 51.24 ATOM 1976 CG1 VAL 132 47.737 1.985 -15.970 1.00 4.43 ATOM 1977 HG11 VAL 132 47.941 3.030 -15.785 1.00 35.51 ATOM 1978 HG12 VAL 132 48.019 1.402 -15.106 1.00 62.12 ATOM 1979 HG13 VAL 132 46.684 1.855 -16.152 1.00 25.41 ATOM 1980 CG2 VAL 132 48.014 2.220 -18.448 1.00 72.33 ATOM 1981 HG21 VAL 132 48.759 2.905 -18.829 1.00 2.11 ATOM 1982 HG22 VAL 132 47.108 2.772 -18.239 1.00 62.21 ATOM 1983 HG23 VAL 132 47.796 1.478 -19.198 1.00 44.22 ATOM 1984 C VAL 132 50.507 0.934 -15.815 1.00 12.00 ATOM 1985 O VAL 132 50.586 1.434 -14.693 1.00 25.44 ATOM 1986 N VAL 133 50.832 -0.330 -16.069 1.00 5.51 ATOM 1987 HN VAL 133 50.778 -0.664 -16.992 1.00 36.75 ATOM 1988 CA VAL 133 51.314 -1.221 -15.020 1.00 11.50 ATOM 1989 HA VAL 133 50.629 -1.156 -14.181 1.00 25.31 ATOM 1990 CB VAL 133 51.351 -2.684 -15.500 1.00 11.33 ATOM 1991 HB VAL 133 52.121 -2.784 -16.255 1.00 61.13 ATOM 1992 CG1 VAL 133 51.693 -3.615 -14.347 1.00 20.21 ATOM 1993 HG11 VAL 133 50.980 -3.480 -13.545 1.00 12.01 ATOM 1994 HG12 VAL 133 52.686 -3.402 -13.985 1.00 11.13 ATOM 1995 HG13 VAL 133 51.657 -4.642 -14.686 1.00 22.24 ATOM 1996 CG2 VAL 133 50.023 -3.070 -16.132 1.00 74.33 ATOM 1997 HG21 VAL 133 49.859 -2.489 -17.025 1.00 75.02 ATOM 1998 HG22 VAL 133 49.219 -2.890 -15.433 1.00 73.42 ATOM 1999 HG23 VAL 133 50.037 -4.120 -16.394 1.00 2.51 ATOM 2000 C VAL 133 52.707 -0.815 -14.551 1.00 71.43 ATOM 2001 O VAL 133 53.026 -0.914 -13.367 1.00 3.21 ATOM 2002 N GLN 134 53.531 -0.359 -15.489 1.00 23.33 ATOM 2003 HN GLN 134 53.215 -0.294 -16.419 1.00 36.75 ATOM 2004 CA GLN 134 54.891 0.061 -15.171 1.00 71.20 ATOM 2005 HA GLN 134 55.367 -0.729 -14.604 1.00 61.12 ATOM 2006 CB GLN 134 55.690 0.291 -16.455 1.00 75.43 ATOM 2007 HB1 GLN 134 56.729 0.419 -16.183 1.00 36.75 ATOM 2008 HB2 GLN 134 55.337 1.196 -16.937 1.00 70.41 ATOM 2009 CG GLN 134 55.573 -0.848 -17.456 1.00 4.02 ATOM 2010 HG1 GLN 134 54.710 -0.675 -18.077 1.00 36.75 ATOM 2011 HG2 GLN 134 55.451 -1.784 -16.926 1.00 4.41 ATOM 2012 CD GLN 134 56.793 -0.968 -18.348 1.00 3.41 ATOM 2013 OE1 GLN 134 57.683 -0.117 -18.320 1.00 22.03 ATOM 2014 NE2 GLN 134 56.841 -2.027 -19.147 1.00 23.44 ATOM 2015 HE21 GLN 134 56.101 -2.675 -19.128 1.00 65.43 ATOM 2016 HE22 GLN 134 57.622 -2.122 -19.731 1.00 73.32 ATOM 2017 C GLN 134 54.885 1.332 -14.328 1.00 20.53 ATOM 2018 O GLN 134 55.822 1.591 -13.572 1.00 73.00 ATOM 2019 N ARG 135 53.824 2.120 -14.463 1.00 10.45 ATOM 2020 HN ARG 135 53.111 1.876 -15.096 1.00 36.75 ATOM 2021 HA ARG 135 54.460 4.045 -14.068 1.00 34.04 ATOM 2022 CB ARG 135 52.322 3.991 -13.953 1.00 42.24 ATOM 2023 HB1 ARG 135 52.228 4.869 -13.323 1.00 36.75 ATOM 2024 HB2 ARG 135 51.560 3.285 -13.676 1.00 72.21 ATOM 2025 CG ARG 135 52.090 4.418 -15.394 1.00 12.35 ATOM 2026 HG1 ARG 135 52.025 3.544 -16.010 1.00 36.75 ATOM 2027 HG2 ARG 135 52.917 5.031 -15.721 1.00 30.30 ATOM 2028 CD ARG 135 50.804 5.218 -15.537 1.00 61.40 ATOM 2029 HD1 ARG 135 50.931 6.169 -15.040 1.00 36.75 ATOM 2030 HD2 ARG 135 49.994 4.672 -15.069 1.00 11.43 ATOM 2031 NE ARG 135 50.461 5.456 -16.936 1.00 71.55 ATOM 2032 HE ARG 135 51.074 5.112 -17.627 1.00 11.31 ATOM 2033 CZ ARG 135 49.372 6.109 -17.325 1.00 52.21 ATOM 2034 NH1 ARG 135 48.525 6.588 -16.424 1.00 70.22 ATOM 2035 HH11 ARG 135 48.686 6.469 -15.445 1.00 5.33 ATOM 2036 HH12 ARG 135 47.706 7.080 -16.726 1.00 22.25 ATOM 2037 NH2 ARG 135 49.128 6.286 -18.618 1.00 22.45 ATOM 2038 HH21 ARG 135 49.764 5.928 -19.304 1.00 4.44 ATOM 2039 HH22 ARG 135 48.307 6.778 -18.913 1.00 4.40 ATOM 2040 CA ARG 135 53.697 3.365 -13.714 1.00 2.00 ATOM 2041 C ARG 135 53.906 3.126 -12.222 1.00 20.45 ATOM 2042 OT1 ARG 135 53.193 2.272 -11.650 1.00 36.75 ATOM 2043 OT2 ARG 135 54.782 3.795 -11.633 1.00 36.75 ATOM 2044 OH2 TIP3 1 13.568 -26.407 -12.890 0.00 0.00 WAT1 ATOM 2045 H1 TIP3 1 13.657 -25.463 -13.022 0.00 0.00 WAT1 ATOM 2046 H2 TIP3 1 12.929 -26.682 -13.548 0.00 0.00 WAT1 ATOM 2047 OH2 TIP3 2 12.501 -27.152 -9.471 0.00 0.00 WAT1 ATOM 2048 H1 TIP3 2 12.463 -27.798 -8.766 0.00 0.00 WAT1 ATOM 2049 H2 TIP3 2 12.178 -27.618 -10.242 0.00 0.00 WAT1 ATOM 2050 OH2 TIP3 3 13.318 -19.108 -10.957 0.00 0.00 WAT1 ATOM 2051 H1 TIP3 3 13.938 -19.785 -11.230 0.00 0.00 WAT1 ATOM 2052 H2 TIP3 3 13.110 -19.326 -10.049 0.00 0.00 WAT1 ATOM 2053 OH2 TIP3 4 10.890 -24.719 -9.065 0.00 0.00 WAT1 ATOM 2054 H1 TIP3 4 11.194 -25.405 -9.659 0.00 0.00 WAT1 ATOM 2055 H2 TIP3 4 11.612 -24.601 -8.447 0.00 0.00 WAT1 ATOM 2056 OH2 TIP3 5 19.553 -33.118 -8.204 0.00 0.00 WAT1 ATOM 2057 H1 TIP3 5 19.602 -32.508 -7.468 0.00 0.00 WAT1 ATOM 2058 H2 TIP3 5 19.979 -32.657 -8.927 0.00 0.00 WAT1 ATOM 2059 OH2 TIP3 6 14.031 -30.325 -8.737 0.00 0.00 WAT1 ATOM 2060 H1 TIP3 6 14.174 -31.272 -8.717 0.00 0.00 WAT1 ATOM 2061 H2 TIP3 6 13.925 -30.118 -9.666 0.00 0.00 WAT1 ATOM 2062 OH2 TIP3 7 19.945 -31.640 -5.968 0.00 0.00 WAT1 ATOM 2063 H1 TIP3 7 19.256 -30.982 -6.063 0.00 0.00 WAT1 ATOM 2064 H2 TIP3 7 19.960 -31.837 -5.031 0.00 0.00 WAT1 ATOM 2065 OH2 TIP3 8 13.365 -23.806 -13.847 0.00 0.00 WAT1 ATOM 2066 H1 TIP3 8 13.069 -24.128 -14.698 0.00 0.00 WAT1 ATOM 2067 H2 TIP3 8 13.041 -22.906 -13.805 0.00 0.00 WAT1 ATOM 2068 OH2 TIP3 9 8.565 -25.630 -7.103 0.00 0.00 WAT1 ATOM 2069 H1 TIP3 9 7.825 -25.032 -7.000 0.00 0.00 WAT1 ATOM 2070 H2 TIP3 9 9.279 -25.076 -7.419 0.00 0.00 WAT1 ATOM 2071 OH2 TIP3 10 6.973 -23.666 -6.316 0.00 0.00 WAT1 ATOM 2072 H1 TIP3 10 6.967 -22.787 -6.694 0.00 0.00 WAT1 ATOM 2073 H2 TIP3 10 6.119 -23.749 -5.891 0.00 0.00 WAT1 ATOM 2074 OH2 TIP3 11 16.130 -22.691 -13.687 0.00 0.00 WAT1 ATOM 2075 H1 TIP3 11 15.873 -23.381 -14.299 0.00 0.00 WAT1 ATOM 2076 H2 TIP3 11 16.201 -23.134 -12.842 0.00 0.00 WAT1 ATOM 2077 OH2 TIP3 12 15.695 -26.953 -14.486 0.00 0.00 WAT1 ATOM 2078 H1 TIP3 12 14.963 -26.725 -13.913 0.00 0.00 WAT1 ATOM 2079 H2 TIP3 12 16.142 -27.667 -14.031 0.00 0.00 WAT1 ATOM 2080 OH2 TIP3 13 15.592 -28.779 -5.418 0.00 0.00 WAT1 ATOM 2081 H1 TIP3 13 15.672 -28.016 -4.846 0.00 0.00 WAT1 ATOM 2082 H2 TIP3 13 14.991 -28.500 -6.109 0.00 0.00 WAT1 ATOM 2083 OH2 TIP3 14 8.587 -23.155 -4.253 0.00 0.00 WAT1 ATOM 2084 H1 TIP3 14 8.275 -22.373 -3.797 0.00 0.00 WAT1 ATOM 2085 H2 TIP3 14 7.937 -23.308 -4.939 0.00 0.00 WAT1 ATOM 2086 OH2 TIP3 15 5.507 -26.957 -5.024 0.00 0.00 WAT1 ATOM 2087 H1 TIP3 15 5.577 -26.306 -4.326 0.00 0.00 WAT1 ATOM 2088 H2 TIP3 15 4.616 -26.854 -5.359 0.00 0.00 WAT1 ATOM 2089 OH2 TIP3 16 12.292 -21.054 -13.366 0.00 0.00 WAT1 ATOM 2090 H1 TIP3 16 12.766 -20.759 -12.588 0.00 0.00 WAT1 ATOM 2091 H2 TIP3 16 11.729 -20.316 -13.599 0.00 0.00 WAT1 ATOM 2092 OH2 TIP3 17 6.826 -21.083 -3.489 0.00 0.00 WAT1 ATOM 2093 H1 TIP3 17 6.834 -21.219 -4.437 0.00 0.00 WAT1 ATOM 2094 H2 TIP3 17 5.910 -21.201 -3.237 0.00 0.00 WAT1 ATOM 2095 OH2 TIP3 18 19.454 -21.675 -18.611 0.00 0.00 WAT1 ATOM 2096 H1 TIP3 18 19.527 -20.736 -18.441 0.00 0.00 WAT1 ATOM 2097 H2 TIP3 18 20.359 -21.980 -18.668 0.00 0.00 WAT1 ATOM 2098 OH2 TIP3 19 14.535 -19.018 -15.199 0.00 0.00 WAT1 ATOM 2099 H1 TIP3 19 13.600 -18.918 -15.020 0.00 0.00 WAT1 ATOM 2100 H2 TIP3 19 14.815 -19.727 -14.621 0.00 0.00 WAT1 ATOM 2101 OH2 TIP3 20 17.523 -29.951 -3.153 0.00 0.00 WAT1 ATOM 2102 H1 TIP3 20 17.116 -29.470 -3.873 0.00 0.00 WAT1 ATOM 2103 H2 TIP3 20 17.564 -30.856 -3.460 0.00 0.00 WAT1 ATOM 2104 OH2 TIP3 21 15.280 -31.619 -4.932 0.00 0.00 WAT1 ATOM 2105 H1 TIP3 21 14.766 -31.745 -4.135 0.00 0.00 WAT1 ATOM 2106 H2 TIP3 21 15.125 -30.707 -5.177 0.00 0.00 WAT1 ATOM 2107 OH2 TIP3 22 12.017 -29.319 -2.848 0.00 0.00 WAT1 ATOM 2108 H1 TIP3 22 11.454 -30.023 -2.528 0.00 0.00 WAT1 ATOM 2109 H2 TIP3 22 12.843 -29.439 -2.381 0.00 0.00 WAT1 ATOM 2110 OH2 TIP3 23 13.919 -30.048 -11.522 0.00 0.00 WAT1 ATOM 2111 H1 TIP3 23 13.724 -29.443 -12.237 0.00 0.00 WAT1 ATOM 2112 H2 TIP3 23 14.101 -30.882 -11.957 0.00 0.00 WAT1 ATOM 2113 OH2 TIP3 24 13.183 -28.410 -6.851 0.00 0.00 WAT1 ATOM 2114 H1 TIP3 24 13.507 -29.041 -7.494 0.00 0.00 WAT1 ATOM 2115 H2 TIP3 24 12.743 -28.945 -6.190 0.00 0.00 WAT1 ATOM 2116 OH2 TIP3 25 5.251 -25.102 -2.918 0.00 0.00 WAT1 ATOM 2117 H1 TIP3 25 5.984 -24.848 -2.357 0.00 0.00 WAT1 ATOM 2118 H2 TIP3 25 4.471 -24.898 -2.403 0.00 0.00 WAT1 ATOM 2119 OH2 TIP3 26 9.601 -27.821 -2.784 0.00 0.00 WAT1 ATOM 2120 H1 TIP3 26 9.305 -27.987 -3.679 0.00 0.00 WAT1 ATOM 2121 H2 TIP3 26 10.532 -28.041 -2.794 0.00 0.00 WAT1 ATOM 2122 OH2 TIP3 27 18.248 -21.417 -16.062 0.00 0.00 WAT1 ATOM 2123 H1 TIP3 27 17.875 -22.243 -15.752 0.00 0.00 WAT1 ATOM 2124 H2 TIP3 27 18.525 -21.600 -16.959 0.00 0.00 WAT1 ATOM 2125 OH2 TIP3 28 9.893 -20.469 -7.016 0.00 0.00 WAT1 ATOM 2126 H1 TIP3 28 10.256 -19.614 -7.249 0.00 0.00 WAT1 ATOM 2127 H2 TIP3 28 10.425 -20.761 -6.275 0.00 0.00 WAT1 ATOM 2128 OH2 TIP3 29 20.144 -18.961 -18.040 0.00 0.00 WAT1 ATOM 2129 H1 TIP3 29 20.887 -18.375 -18.180 0.00 0.00 WAT1 ATOM 2130 H2 TIP3 29 19.449 -18.393 -17.707 0.00 0.00 WAT1 ATOM 2131 OH2 TIP3 30 16.506 -24.768 -16.015 0.00 0.00 WAT1 ATOM 2132 H1 TIP3 30 16.229 -25.496 -15.459 0.00 0.00 WAT1 ATOM 2133 H2 TIP3 30 17.433 -24.649 -15.809 0.00 0.00 WAT1 ATOM 2134 OH2 TIP3 31 11.473 -30.478 -5.432 0.00 0.00 WAT1 ATOM 2135 H1 TIP3 31 11.592 -29.904 -4.675 0.00 0.00 WAT1 ATOM 2136 H2 TIP3 31 12.128 -31.166 -5.317 0.00 0.00 WAT1 ATOM 2137 OH2 TIP3 32 16.279 -28.820 -10.501 0.00 0.00 WAT1 ATOM 2138 H1 TIP3 32 15.482 -29.235 -10.830 0.00 0.00 WAT1 ATOM 2139 H2 TIP3 32 16.724 -29.511 -10.010 0.00 0.00 WAT1 ATOM 2140 OH2 TIP3 33 7.677 -19.974 -1.031 0.00 0.00 WAT1 ATOM 2141 H1 TIP3 33 8.445 -20.433 -0.690 0.00 0.00 WAT1 ATOM 2142 H2 TIP3 33 7.656 -20.200 -1.961 0.00 0.00 WAT1 ATOM 2143 OH2 TIP3 34 7.766 -28.874 -4.903 0.00 0.00 WAT1 ATOM 2144 H1 TIP3 34 7.148 -28.199 -4.622 0.00 0.00 WAT1 ATOM 2145 H2 TIP3 34 8.110 -28.553 -5.736 0.00 0.00 WAT1 ATOM 2146 OH2 TIP3 35 10.100 -27.710 -6.088 0.00 0.00 WAT1 ATOM 2147 H1 TIP3 35 10.851 -27.866 -6.661 0.00 0.00 WAT1 ATOM 2148 H2 TIP3 35 9.761 -26.858 -6.364 0.00 0.00 WAT1 ATOM 2149 OH2 TIP3 36 14.516 -29.895 -1.060 0.00 0.00 WAT1 ATOM 2150 H1 TIP3 36 14.708 -30.826 -1.171 0.00 0.00 WAT1 ATOM 2151 H2 TIP3 36 15.373 -29.470 -1.070 0.00 0.00 WAT1 ATOM 2152 OH2 TIP3 37 10.588 -31.371 -2.333 0.00 0.00 WAT1 ATOM 2153 H1 TIP3 37 10.352 -31.591 -1.431 0.00 0.00 WAT1 ATOM 2154 H2 TIP3 37 9.805 -31.578 -2.842 0.00 0.00 WAT1 ATOM 2155 OH2 TIP3 38 13.304 -32.244 -3.257 0.00 0.00 WAT1 ATOM 2156 H1 TIP3 38 12.356 -32.212 -3.125 0.00 0.00 WAT1 ATOM 2157 H2 TIP3 38 13.616 -32.869 -2.603 0.00 0.00 WAT1 ATOM 2158 OH2 TIP3 39 19.397 -25.300 -15.576 0.00 0.00 WAT1 ATOM 2159 H1 TIP3 39 20.247 -24.879 -15.448 0.00 0.00 WAT1 ATOM 2160 H2 TIP3 39 19.402 -26.040 -14.968 0.00 0.00 WAT1 ATOM 2161 OH2 TIP3 40 19.791 -27.247 -13.752 0.00 0.00 WAT1 ATOM 2162 H1 TIP3 40 19.065 -27.726 -13.354 0.00 0.00 WAT1 ATOM 2163 H2 TIP3 40 20.372 -27.041 -13.020 0.00 0.00 WAT1 ATOM 2164 OH2 TIP3 41 17.578 -28.726 -13.189 0.00 0.00 WAT1 ATOM 2165 H1 TIP3 41 17.428 -29.671 -13.209 0.00 0.00 WAT1 ATOM 2166 H2 TIP3 41 17.224 -28.445 -12.345 0.00 0.00 WAT1 ATOM 2167 OH2 TIP3 42 19.931 -28.853 -2.866 0.00 0.00 WAT1 ATOM 2168 H1 TIP3 42 19.068 -29.232 -3.031 0.00 0.00 WAT1 ATOM 2169 H2 TIP3 42 20.535 -29.592 -2.940 0.00 0.00 WAT1 ATOM 2170 OH2 TIP3 43 17.900 -30.562 -9.291 0.00 0.00 WAT1 ATOM 2171 H1 TIP3 43 18.833 -30.350 -9.325 0.00 0.00 WAT1 ATOM 2172 H2 TIP3 43 17.665 -30.460 -8.368 0.00 0.00 WAT1 ATOM 2173 OH2 TIP3 44 17.929 -29.825 -6.515 0.00 0.00 WAT1 ATOM 2174 H1 TIP3 44 17.086 -29.557 -6.149 0.00 0.00 WAT1 ATOM 2175 H2 TIP3 44 18.372 -29.003 -6.726 0.00 0.00 WAT1 ATOM 2176 OH2 TIP3 45 7.159 -20.920 -6.276 0.00 0.00 WAT1 ATOM 2177 H1 TIP3 45 6.734 -20.111 -6.559 0.00 0.00 WAT1 ATOM 2178 H2 TIP3 45 8.064 -20.835 -6.578 0.00 0.00 WAT1 ATOM 2179 OH2 TIP3 46 11.470 -19.521 -3.317 0.00 0.00 WAT1 ATOM 2180 H1 TIP3 46 11.655 -19.855 -2.439 0.00 0.00 WAT1 ATOM 2181 H2 TIP3 46 12.317 -19.212 -3.639 0.00 0.00 WAT1 ATOM 2182 OH2 TIP3 47 13.815 -18.236 -4.073 0.00 0.00 WAT1 ATOM 2183 H1 TIP3 47 14.492 -18.868 -4.313 0.00 0.00 WAT1 ATOM 2184 H2 TIP3 47 14.137 -17.834 -3.265 0.00 0.00 WAT1 ATOM 2185 OH2 TIP3 48 11.739 -18.176 -8.023 0.00 0.00 WAT1 ATOM 2186 H1 TIP3 48 11.282 -17.647 -8.677 0.00 0.00 WAT1 ATOM 2187 H2 TIP3 48 11.902 -17.573 -7.298 0.00 0.00 WAT1 ATOM 2188 OH2 TIP3 49 14.066 -19.298 -7.078 0.00 0.00 WAT1 ATOM 2189 H1 TIP3 49 13.162 -19.133 -7.344 0.00 0.00 WAT1 ATOM 2190 H2 TIP3 49 14.495 -18.445 -7.144 0.00 0.00 WAT1 ATOM 2191 OH2 TIP3 50 13.568 -26.407 5.966 0.00 0.00 WAT1 ATOM 2192 H1 TIP3 50 13.657 -25.463 5.834 0.00 0.00 WAT1 ATOM 2193 H2 TIP3 50 12.929 -26.682 5.308 0.00 0.00 WAT1 ATOM 2194 OH2 TIP3 51 16.207 -24.213 7.687 0.00 0.00 WAT1 ATOM 2195 H1 TIP3 51 15.766 -24.933 8.137 0.00 0.00 WAT1 ATOM 2196 H2 TIP3 51 16.194 -23.492 8.317 0.00 0.00 WAT1 ATOM 2197 OH2 TIP3 52 13.318 -19.108 7.899 0.00 0.00 WAT1 ATOM 2198 H1 TIP3 52 13.938 -19.785 7.626 0.00 0.00 WAT1 ATOM 2199 H2 TIP3 52 13.110 -19.326 8.807 0.00 0.00 WAT1 ATOM 2200 OH2 TIP3 53 13.365 -23.806 5.009 0.00 0.00 WAT1 ATOM 2201 H1 TIP3 53 13.069 -24.128 4.158 0.00 0.00 WAT1 ATOM 2202 H2 TIP3 53 13.041 -22.906 5.051 0.00 0.00 WAT1 ATOM 2203 OH2 TIP3 54 16.719 -22.373 10.035 0.00 0.00 WAT1 ATOM 2204 H1 TIP3 54 15.777 -22.315 10.196 0.00 0.00 WAT1 ATOM 2205 H2 TIP3 54 16.995 -21.467 9.898 0.00 0.00 WAT1 ATOM 2206 OH2 TIP3 55 14.971 -20.592 6.660 0.00 0.00 WAT1 ATOM 2207 H1 TIP3 55 15.396 -21.299 6.175 0.00 0.00 WAT1 ATOM 2208 H2 TIP3 55 15.288 -19.791 6.243 0.00 0.00 WAT1 ATOM 2209 OH2 TIP3 56 12.289 -27.163 3.418 0.00 0.00 WAT1 ATOM 2210 H1 TIP3 56 11.577 -26.628 3.067 0.00 0.00 WAT1 ATOM 2211 H2 TIP3 56 12.980 -27.107 2.758 0.00 0.00 WAT1 ATOM 2212 OH2 TIP3 57 12.343 -28.705 0.457 0.00 0.00 WAT1 ATOM 2213 H1 TIP3 57 13.044 -28.683 1.108 0.00 0.00 WAT1 ATOM 2214 H2 TIP3 57 12.645 -29.333 -0.199 0.00 0.00 WAT1 ATOM 2215 OH2 TIP3 58 15.695 -26.953 4.370 0.00 0.00 WAT1 ATOM 2216 H1 TIP3 58 14.963 -26.725 4.943 0.00 0.00 WAT1 ATOM 2217 H2 TIP3 58 16.142 -27.667 4.825 0.00 0.00 WAT1 ATOM 2218 OH2 TIP3 59 14.016 -22.051 10.620 0.00 0.00 WAT1 ATOM 2219 H1 TIP3 59 13.775 -21.389 11.268 0.00 0.00 WAT1 ATOM 2220 H2 TIP3 59 13.818 -22.885 11.045 0.00 0.00 WAT1 ATOM 2221 OH2 TIP3 60 14.566 -27.791 2.055 0.00 0.00 WAT1 ATOM 2222 H1 TIP3 60 15.145 -27.641 2.802 0.00 0.00 WAT1 ATOM 2223 H2 TIP3 60 14.980 -27.320 1.332 0.00 0.00 WAT1 ATOM 2224 OH2 TIP3 61 12.292 -21.054 5.490 0.00 0.00 WAT1 ATOM 2225 H1 TIP3 61 12.766 -20.759 6.268 0.00 0.00 WAT1 ATOM 2226 H2 TIP3 61 11.729 -20.316 5.257 0.00 0.00 WAT1 ATOM 2227 OH2 TIP3 62 11.764 -18.098 3.905 0.00 0.00 WAT1 ATOM 2228 H1 TIP3 62 11.689 -18.219 2.959 0.00 0.00 WAT1 ATOM 2229 H2 TIP3 62 11.797 -17.148 4.024 0.00 0.00 WAT1 ATOM 2230 OH2 TIP3 63 12.915 -29.494 4.520 0.00 0.00 WAT1 ATOM 2231 H1 TIP3 63 12.506 -28.679 4.228 0.00 0.00 WAT1 ATOM 2232 H2 TIP3 63 13.635 -29.634 3.905 0.00 0.00 WAT1 ATOM 2233 OH2 TIP3 64 10.451 -25.094 2.775 0.00 0.00 WAT1 ATOM 2234 H1 TIP3 64 9.707 -25.601 2.452 0.00 0.00 WAT1 ATOM 2235 H2 TIP3 64 10.317 -25.045 3.721 0.00 0.00 WAT1 ATOM 2236 OH2 TIP3 65 14.349 -32.280 0.974 0.00 0.00 WAT1 ATOM 2237 H1 TIP3 65 13.411 -32.168 0.823 0.00 0.00 WAT1 ATOM 2238 H2 TIP3 65 14.646 -31.423 1.280 0.00 0.00 WAT1 ATOM 2239 OH2 TIP3 66 15.067 -30.413 2.635 0.00 0.00 WAT1 ATOM 2240 H1 TIP3 66 15.959 -30.550 2.954 0.00 0.00 WAT1 ATOM 2241 H2 TIP3 66 15.124 -29.622 2.098 0.00 0.00 WAT1 ATOM 2242 OH2 TIP3 67 19.952 -30.203 2.329 0.00 0.00 WAT1 ATOM 2243 H1 TIP3 67 19.398 -30.599 1.657 0.00 0.00 WAT1 ATOM 2244 H2 TIP3 67 20.053 -29.293 2.052 0.00 0.00 WAT1 ATOM 2245 OH2 TIP3 68 9.378 -24.618 5.525 0.00 0.00 WAT1 ATOM 2246 H1 TIP3 68 9.137 -23.693 5.567 0.00 0.00 WAT1 ATOM 2247 H2 TIP3 68 8.638 -25.077 5.921 0.00 0.00 WAT1 ATOM 2248 OH2 TIP3 69 16.506 -24.768 2.841 0.00 0.00 WAT1 ATOM 2249 H1 TIP3 69 16.229 -25.496 3.397 0.00 0.00 WAT1 ATOM 2250 H2 TIP3 69 17.433 -24.649 3.047 0.00 0.00 WAT1 ATOM 2251 OH2 TIP3 70 8.668 -22.759 1.518 0.00 0.00 WAT1 ATOM 2252 H1 TIP3 70 8.815 -23.279 2.308 0.00 0.00 WAT1 ATOM 2253 H2 TIP3 70 8.665 -21.852 1.824 0.00 0.00 WAT1 ATOM 2254 OH2 TIP3 71 11.406 -21.061 2.267 0.00 0.00 WAT1 ATOM 2255 H1 TIP3 71 10.589 -20.564 2.320 0.00 0.00 WAT1 ATOM 2256 H2 TIP3 71 11.935 -20.586 1.627 0.00 0.00 WAT1 ATOM 2257 OH2 TIP3 72 8.744 -20.018 2.249 0.00 0.00 WAT1 ATOM 2258 H1 TIP3 72 8.905 -19.218 1.748 0.00 0.00 WAT1 ATOM 2259 H2 TIP3 72 8.547 -19.711 3.134 0.00 0.00 WAT1 ATOM 2260 OH2 TIP3 73 5.737 -22.892 0.925 0.00 0.00 WAT1 ATOM 2261 H1 TIP3 73 6.329 -22.193 1.201 0.00 0.00 WAT1 ATOM 2262 H2 TIP3 73 6.196 -23.325 0.206 0.00 0.00 WAT1 ATOM 2263 OH2 TIP3 74 17.366 -19.564 9.977 0.00 0.00 WAT1 ATOM 2264 H1 TIP3 74 17.210 -18.886 9.320 0.00 0.00 WAT1 ATOM 2265 H2 TIP3 74 18.298 -19.492 10.180 0.00 0.00 WAT1 ATOM 2266 OH2 TIP3 75 7.328 -24.739 -0.709 0.00 0.00 WAT1 ATOM 2267 H1 TIP3 75 7.392 -25.533 -0.178 0.00 0.00 WAT1 ATOM 2268 H2 TIP3 75 7.981 -24.858 -1.398 0.00 0.00 WAT1 ATOM 2269 OH2 TIP3 76 8.477 -26.767 1.597 0.00 0.00 WAT1 ATOM 2270 H1 TIP3 76 8.018 -27.251 2.283 0.00 0.00 WAT1 ATOM 2271 H2 TIP3 76 8.732 -27.435 0.961 0.00 0.00 WAT1 ATOM 2272 OH2 TIP3 77 9.548 -28.524 -0.140 0.00 0.00 WAT1 ATOM 2273 H1 TIP3 77 9.368 -28.678 -1.068 0.00 0.00 WAT1 ATOM 2274 H2 TIP3 77 10.499 -28.416 -0.096 0.00 0.00 WAT1 ATOM 2275 OH2 TIP3 78 18.938 -26.169 -0.695 0.00 0.00 WAT1 ATOM 2276 H1 TIP3 78 18.665 -26.594 -1.508 0.00 0.00 WAT1 ATOM 2277 H2 TIP3 78 18.978 -25.238 -0.912 0.00 0.00 WAT1 ATOM 2278 OH2 TIP3 79 9.446 -17.833 0.861 0.00 0.00 WAT1 ATOM 2279 H1 TIP3 79 10.379 -17.675 1.005 0.00 0.00 WAT1 ATOM 2280 H2 TIP3 79 9.182 -17.158 0.236 0.00 0.00 WAT1 ATOM 2281 OH2 TIP3 80 20.082 -18.914 10.206 0.00 0.00 WAT1 ATOM 2282 H1 TIP3 80 20.060 -18.729 11.145 0.00 0.00 WAT1 ATOM 2283 H2 TIP3 80 20.772 -18.345 9.865 0.00 0.00 WAT1 ATOM 2284 OH2 TIP3 81 19.791 -27.247 5.104 0.00 0.00 WAT1 ATOM 2285 H1 TIP3 81 19.065 -27.726 5.502 0.00 0.00 WAT1 ATOM 2286 H2 TIP3 81 20.372 -27.041 5.836 0.00 0.00 WAT1 ATOM 2287 OH2 TIP3 82 19.550 -24.462 10.052 0.00 0.00 WAT1 ATOM 2288 H1 TIP3 82 20.384 -24.840 9.771 0.00 0.00 WAT1 ATOM 2289 H2 TIP3 82 19.662 -23.519 9.933 0.00 0.00 WAT1 ATOM 2290 OH2 TIP3 83 18.037 -21.584 12.359 0.00 0.00 WAT1 ATOM 2291 H1 TIP3 83 17.389 -21.259 12.984 0.00 0.00 WAT1 ATOM 2292 H2 TIP3 83 17.519 -22.024 11.684 0.00 0.00 WAT1 ATOM 2293 OH2 TIP3 84 20.059 -27.346 1.495 0.00 0.00 WAT1 ATOM 2294 H1 TIP3 84 19.538 -26.989 0.776 0.00 0.00 WAT1 ATOM 2295 H2 TIP3 84 20.026 -26.671 2.173 0.00 0.00 WAT1 ATOM 2296 OH2 TIP3 85 18.408 -30.106 0.046 0.00 0.00 WAT1 ATOM 2297 H1 TIP3 85 18.505 -29.439 -0.634 0.00 0.00 WAT1 ATOM 2298 H2 TIP3 85 18.268 -30.922 -0.436 0.00 0.00 WAT1 ATOM 2299 OH2 TIP3 86 17.578 -28.726 5.667 0.00 0.00 WAT1 ATOM 2300 H1 TIP3 86 17.428 -29.671 5.647 0.00 0.00 WAT1 ATOM 2301 H2 TIP3 86 17.224 -28.445 6.511 0.00 0.00 WAT1 ATOM 2302 OH2 TIP3 87 16.671 -17.728 12.073 0.00 0.00 WAT1 ATOM 2303 H1 TIP3 87 16.489 -16.812 11.862 0.00 0.00 WAT1 ATOM 2304 H2 TIP3 87 16.847 -18.138 11.226 0.00 0.00 WAT1 ATOM 2305 OH2 TIP3 88 12.091 -18.607 1.106 0.00 0.00 WAT1 ATOM 2306 H1 TIP3 88 12.957 -18.241 0.928 0.00 0.00 WAT1 ATOM 2307 H2 TIP3 88 11.844 -19.047 0.293 0.00 0.00 WAT1 ATOM 2308 OH2 TIP3 89 19.931 -9.997 -21.722 0.00 0.00 WAT1 ATOM 2309 H1 TIP3 89 19.068 -10.376 -21.887 0.00 0.00 WAT1 ATOM 2310 H2 TIP3 89 20.535 -10.736 -21.796 0.00 0.00 WAT1 ATOM 2311 OH2 TIP3 90 20.212 -16.989 -20.017 0.00 0.00 WAT1 ATOM 2312 H1 TIP3 90 20.562 -17.643 -20.623 0.00 0.00 WAT1 ATOM 2313 H2 TIP3 90 20.359 -16.152 -20.457 0.00 0.00 WAT1 ATOM 2314 OH2 TIP3 91 19.732 -14.880 -21.668 0.00 0.00 WAT1 ATOM 2315 H1 TIP3 91 18.815 -14.609 -21.704 0.00 0.00 WAT1 ATOM 2316 H2 TIP3 91 19.855 -15.415 -22.452 0.00 0.00 WAT1 ATOM 2317 OH2 TIP3 92 14.031 -11.469 -8.737 0.00 0.00 WAT1 ATOM 2318 H1 TIP3 92 14.174 -12.416 -8.717 0.00 0.00 WAT1 ATOM 2319 H2 TIP3 92 13.925 -11.262 -9.666 0.00 0.00 WAT1 ATOM 2320 OH2 TIP3 93 14.908 -13.237 -13.064 0.00 0.00 WAT1 ATOM 2321 H1 TIP3 93 15.554 -13.566 -12.439 0.00 0.00 WAT1 ATOM 2322 H2 TIP3 93 15.418 -12.719 -13.687 0.00 0.00 WAT1 ATOM 2323 OH2 TIP3 94 10.022 -17.144 -9.938 0.00 0.00 WAT1 ATOM 2324 H1 TIP3 94 9.905 -18.093 -9.992 0.00 0.00 WAT1 ATOM 2325 H2 TIP3 94 9.167 -16.812 -9.665 0.00 0.00 WAT1 ATOM 2326 OH2 TIP3 95 19.658 -8.929 -7.144 0.00 0.00 WAT1 ATOM 2327 H1 TIP3 95 19.006 -8.234 -7.055 0.00 0.00 WAT1 ATOM 2328 H2 TIP3 95 20.123 -8.719 -7.954 0.00 0.00 WAT1 ATOM 2329 OH2 TIP3 96 15.592 -9.923 -5.418 0.00 0.00 WAT1 ATOM 2330 H1 TIP3 96 15.672 -9.160 -4.846 0.00 0.00 WAT1 ATOM 2331 H2 TIP3 96 14.991 -9.644 -6.109 0.00 0.00 WAT1 ATOM 2332 OH2 TIP3 97 18.264 -17.185 -16.988 0.00 0.00 WAT1 ATOM 2333 H1 TIP3 97 17.365 -17.046 -16.693 0.00 0.00 WAT1 ATOM 2334 H2 TIP3 97 18.516 -16.354 -17.390 0.00 0.00 WAT1 ATOM 2335 OH2 TIP3 98 20.371 -2.588 -3.633 0.00 0.00 WAT1 ATOM 2336 H1 TIP3 98 20.322 -3.543 -3.670 0.00 0.00 WAT1 ATOM 2337 H2 TIP3 98 19.545 -2.320 -3.231 0.00 0.00 WAT1 ATOM 2338 OH2 TIP3 99 17.523 -11.095 -3.153 0.00 0.00 WAT1 ATOM 2339 H1 TIP3 99 17.116 -10.614 -3.873 0.00 0.00 WAT1 ATOM 2340 H2 TIP3 99 17.564 -12.000 -3.460 0.00 0.00 WAT1 ATOM 2341 OH2 TIP3 100 11.954 -16.519 -5.786 0.00 0.00 WAT1 ATOM 2342 H1 TIP3 100 12.374 -16.934 -5.033 0.00 0.00 WAT1 ATOM 2343 H2 TIP3 100 11.021 -16.697 -5.669 0.00 0.00 WAT1 ATOM 2344 OH2 TIP3 101 15.280 -12.763 -4.932 0.00 0.00 WAT1 ATOM 2345 H1 TIP3 101 14.766 -12.889 -4.135 0.00 0.00 WAT1 ATOM 2346 H2 TIP3 101 15.125 -11.851 -5.177 0.00 0.00 WAT1 ATOM 2347 OH2 TIP3 102 12.915 -10.638 -14.336 0.00 0.00 WAT1 ATOM 2348 H1 TIP3 102 12.506 -9.823 -14.628 0.00 0.00 WAT1 ATOM 2349 H2 TIP3 102 13.635 -10.778 -14.951 0.00 0.00 WAT1 ATOM 2350 OH2 TIP3 103 12.017 -10.463 -2.848 0.00 0.00 WAT1 ATOM 2351 H1 TIP3 103 11.454 -11.167 -2.528 0.00 0.00 WAT1 ATOM 2352 H2 TIP3 103 12.843 -10.583 -2.381 0.00 0.00 WAT1 ATOM 2353 OH2 TIP3 104 13.919 -11.192 -11.522 0.00 0.00 WAT1 ATOM 2354 H1 TIP3 104 13.724 -10.587 -12.237 0.00 0.00 WAT1 ATOM 2355 H2 TIP3 104 14.101 -12.026 -11.957 0.00 0.00 WAT1 ATOM 2356 OH2 TIP3 105 13.183 -9.554 -6.851 0.00 0.00 WAT1 ATOM 2357 H1 TIP3 105 13.507 -10.185 -7.494 0.00 0.00 WAT1 ATOM 2358 H2 TIP3 105 12.743 -10.089 -6.190 0.00 0.00 WAT1 ATOM 2359 OH2 TIP3 106 11.281 -10.839 -10.180 0.00 0.00 WAT1 ATOM 2360 H1 TIP3 106 11.845 -11.386 -10.727 0.00 0.00 WAT1 ATOM 2361 H2 TIP3 106 11.133 -11.361 -9.391 0.00 0.00 WAT1 ATOM 2362 OH2 TIP3 107 17.601 -7.105 -7.295 0.00 0.00 WAT1 ATOM 2363 H1 TIP3 107 18.243 -6.648 -7.838 0.00 0.00 WAT1 ATOM 2364 H2 TIP3 107 16.771 -6.992 -7.757 0.00 0.00 WAT1 ATOM 2365 OH2 TIP3 108 15.067 -11.557 -16.221 0.00 0.00 WAT1 ATOM 2366 H1 TIP3 108 15.959 -11.694 -15.902 0.00 0.00 WAT1 ATOM 2367 H2 TIP3 108 15.124 -10.766 -16.758 0.00 0.00 WAT1 ATOM 2368 OH2 TIP3 109 19.952 -11.347 -16.527 0.00 0.00 WAT1 ATOM 2369 H1 TIP3 109 19.398 -11.743 -17.199 0.00 0.00 WAT1 ATOM 2370 H2 TIP3 109 20.053 -10.437 -16.804 0.00 0.00 WAT1 ATOM 2371 OH2 TIP3 110 19.916 -5.547 -3.690 0.00 0.00 WAT1 ATOM 2372 H1 TIP3 110 19.064 -5.309 -4.057 0.00 0.00 WAT1 ATOM 2373 H2 TIP3 110 20.506 -5.564 -4.443 0.00 0.00 WAT1 ATOM 2374 OH2 TIP3 111 15.408 -7.753 -9.040 0.00 0.00 WAT1 ATOM 2375 H1 TIP3 111 14.480 -7.985 -9.067 0.00 0.00 WAT1 ATOM 2376 H2 TIP3 111 15.859 -8.530 -9.370 0.00 0.00 WAT1 ATOM 2377 OH2 TIP3 112 12.953 -13.988 -6.549 0.00 0.00 WAT1 ATOM 2378 H1 TIP3 112 13.651 -13.914 -5.899 0.00 0.00 WAT1 ATOM 2379 H2 TIP3 112 12.572 -14.852 -6.394 0.00 0.00 WAT1 ATOM 2380 OH2 TIP3 113 13.737 -14.336 -15.452 0.00 0.00 WAT1 ATOM 2381 H1 TIP3 113 13.957 -13.864 -16.255 0.00 0.00 WAT1 ATOM 2382 H2 TIP3 113 14.295 -13.941 -14.781 0.00 0.00 WAT1 ATOM 2383 OH2 TIP3 114 11.821 -15.527 -13.679 0.00 0.00 WAT1 ATOM 2384 H1 TIP3 114 11.474 -14.909 -13.034 0.00 0.00 WAT1 ATOM 2385 H2 TIP3 114 12.479 -15.026 -14.160 0.00 0.00 WAT1 ATOM 2386 OH2 TIP3 115 17.677 -13.715 -4.597 0.00 0.00 WAT1 ATOM 2387 H1 TIP3 115 16.761 -13.452 -4.685 0.00 0.00 WAT1 ATOM 2388 H2 TIP3 115 18.013 -13.718 -5.494 0.00 0.00 WAT1 ATOM 2389 OH2 TIP3 116 16.279 -9.964 -10.501 0.00 0.00 WAT1 ATOM 2390 H1 TIP3 116 15.482 -10.379 -10.830 0.00 0.00 WAT1 ATOM 2391 H2 TIP3 116 16.724 -10.655 -10.010 0.00 0.00 WAT1 ATOM 2392 OH2 TIP3 117 18.938 -7.313 -19.551 0.00 0.00 WAT1 ATOM 2393 H1 TIP3 117 18.665 -7.738 -20.364 0.00 0.00 WAT1 ATOM 2394 H2 TIP3 117 18.978 -6.382 -19.768 0.00 0.00 WAT1 ATOM 2395 OH2 TIP3 118 14.516 -11.039 -1.060 0.00 0.00 WAT1 ATOM 2396 H1 TIP3 118 14.708 -11.970 -1.171 0.00 0.00 WAT1 ATOM 2397 H2 TIP3 118 15.373 -10.614 -1.070 0.00 0.00 WAT1 ATOM 2398 OH2 TIP3 119 15.832 -8.250 -2.982 0.00 0.00 WAT1 ATOM 2399 H1 TIP3 119 15.551 -7.541 -3.560 0.00 0.00 WAT1 ATOM 2400 H2 TIP3 119 16.775 -8.323 -3.133 0.00 0.00 WAT1 ATOM 2401 OH2 TIP3 120 10.588 -12.515 -2.333 0.00 0.00 WAT1 ATOM 2402 H1 TIP3 120 10.352 -12.735 -1.431 0.00 0.00 WAT1 ATOM 2403 H2 TIP3 120 9.805 -12.722 -2.842 0.00 0.00 WAT1 ATOM 2404 OH2 TIP3 121 13.304 -13.388 -3.257 0.00 0.00 WAT1 ATOM 2405 H1 TIP3 121 12.356 -13.356 -3.125 0.00 0.00 WAT1 ATOM 2406 H2 TIP3 121 13.616 -14.013 -2.603 0.00 0.00 WAT1 ATOM 2407 OH2 TIP3 122 9.546 -17.543 -3.225 0.00 0.00 WAT1 ATOM 2408 H1 TIP3 122 10.258 -18.183 -3.239 0.00 0.00 WAT1 ATOM 2409 H2 TIP3 122 9.445 -17.276 -4.139 0.00 0.00 WAT1 ATOM 2410 OH2 TIP3 123 9.899 -15.860 -1.171 0.00 0.00 WAT1 ATOM 2411 H1 TIP3 123 9.768 -16.336 -1.992 0.00 0.00 WAT1 ATOM 2412 H2 TIP3 123 9.300 -15.116 -1.227 0.00 0.00 WAT1 ATOM 2413 OH2 TIP3 124 18.096 -4.701 -1.090 0.00 0.00 WAT1 ATOM 2414 H1 TIP3 124 17.230 -4.806 -0.696 0.00 0.00 WAT1 ATOM 2415 H2 TIP3 124 18.472 -3.942 -0.643 0.00 0.00 WAT1 ATOM 2416 OH2 TIP3 125 19.397 -6.444 -15.576 0.00 0.00 WAT1 ATOM 2417 H1 TIP3 125 20.247 -6.023 -15.448 0.00 0.00 WAT1 ATOM 2418 H2 TIP3 125 19.402 -7.184 -14.968 0.00 0.00 WAT1 ATOM 2419 OH2 TIP3 126 19.791 -8.391 -13.752 0.00 0.00 WAT1 ATOM 2420 H1 TIP3 126 19.065 -8.870 -13.354 0.00 0.00 WAT1 ATOM 2421 H2 TIP3 126 20.372 -8.185 -13.020 0.00 0.00 WAT1 ATOM 2422 OH2 TIP3 127 19.550 -5.606 -8.804 0.00 0.00 WAT1 ATOM 2423 H1 TIP3 127 20.384 -5.984 -9.085 0.00 0.00 WAT1 ATOM 2424 H2 TIP3 127 19.662 -4.663 -8.923 0.00 0.00 WAT1 ATOM 2425 OH2 TIP3 128 20.059 -8.490 -17.361 0.00 0.00 WAT1 ATOM 2426 H1 TIP3 128 19.538 -8.133 -18.080 0.00 0.00 WAT1 ATOM 2427 H2 TIP3 128 20.026 -7.815 -16.683 0.00 0.00 WAT1 ATOM 2428 OH2 TIP3 129 18.408 -11.250 -18.810 0.00 0.00 WAT1 ATOM 2429 H1 TIP3 129 18.505 -10.583 -19.490 0.00 0.00 WAT1 ATOM 2430 H2 TIP3 129 18.268 -12.066 -19.292 0.00 0.00 WAT1 ATOM 2431 OH2 TIP3 130 17.578 -9.870 -13.189 0.00 0.00 WAT1 ATOM 2432 H1 TIP3 130 17.428 -10.815 -13.209 0.00 0.00 WAT1 ATOM 2433 H2 TIP3 130 17.224 -9.589 -12.345 0.00 0.00 WAT1 ATOM 2434 OH2 TIP3 131 18.434 -7.900 -3.550 0.00 0.00 WAT1 ATOM 2435 H1 TIP3 131 19.017 -8.634 -3.359 0.00 0.00 WAT1 ATOM 2436 H2 TIP3 131 18.998 -7.128 -3.504 0.00 0.00 WAT1 ATOM 2437 OH2 TIP3 132 19.931 -9.997 -2.866 0.00 0.00 WAT1 ATOM 2438 H1 TIP3 132 19.068 -10.376 -3.031 0.00 0.00 WAT1 ATOM 2439 H2 TIP3 132 20.535 -10.736 -2.940 0.00 0.00 WAT1 ATOM 2440 OH2 TIP3 133 17.656 -13.842 -19.693 0.00 0.00 WAT1 ATOM 2441 H1 TIP3 133 18.266 -14.214 -19.056 0.00 0.00 WAT1 ATOM 2442 H2 TIP3 133 16.819 -14.264 -19.497 0.00 0.00 WAT1 ATOM 2443 OH2 TIP3 134 17.288 -12.287 -14.727 0.00 0.00 WAT1 ATOM 2444 H1 TIP3 134 17.568 -13.194 -14.602 0.00 0.00 WAT1 ATOM 2445 H2 TIP3 134 18.047 -11.853 -15.116 0.00 0.00 WAT1 ATOM 2446 OH2 TIP3 135 17.929 -10.969 -6.515 0.00 0.00 WAT1 ATOM 2447 H1 TIP3 135 17.086 -10.701 -6.149 0.00 0.00 WAT1 ATOM 2448 H2 TIP3 135 18.372 -10.147 -6.726 0.00 0.00 WAT1 ATOM 2449 OH2 TIP3 136 17.902 -15.024 -14.678 0.00 0.00 WAT1 ATOM 2450 H1 TIP3 136 18.084 -15.473 -13.853 0.00 0.00 WAT1 ATOM 2451 H2 TIP3 136 17.302 -15.609 -15.142 0.00 0.00 WAT1 ATOM 2452 OH2 TIP3 137 19.768 -14.957 -18.150 0.00 0.00 WAT1 ATOM 2453 H1 TIP3 137 20.181 -15.678 -18.626 0.00 0.00 WAT1 ATOM 2454 H2 TIP3 137 20.450 -14.287 -18.092 0.00 0.00 WAT1 ATOM 2455 OH2 TIP3 138 18.733 -16.790 -4.993 0.00 0.00 WAT1 ATOM 2456 H1 TIP3 138 17.920 -16.465 -5.381 0.00 0.00 WAT1 ATOM 2457 H2 TIP3 138 18.966 -17.550 -5.526 0.00 0.00 WAT1 ATOM 2458 OH2 TIP3 139 12.163 -15.341 -10.670 0.00 0.00 WAT1 ATOM 2459 H1 TIP3 139 11.488 -15.970 -10.415 0.00 0.00 WAT1 ATOM 2460 H2 TIP3 139 12.727 -15.825 -11.273 0.00 0.00 WAT1 ATOM 2461 OH2 TIP3 140 15.979 -16.724 -15.693 0.00 0.00 WAT1 ATOM 2462 H1 TIP3 140 15.276 -16.110 -15.903 0.00 0.00 WAT1 ATOM 2463 H2 TIP3 140 15.534 -17.562 -15.562 0.00 0.00 WAT1 ATOM 2464 OH2 TIP3 141 18.018 -1.437 -2.920 0.00 0.00 WAT1 ATOM 2465 H1 TIP3 141 17.236 -1.623 -3.440 0.00 0.00 WAT1 ATOM 2466 H2 TIP3 141 17.946 -0.508 -2.703 0.00 0.00 WAT1 ATOM 2467 OH2 TIP3 142 13.568 -7.551 5.966 0.00 0.00 WAT1 ATOM 2468 H1 TIP3 142 13.657 -6.607 5.834 0.00 0.00 WAT1 ATOM 2469 H2 TIP3 142 12.929 -7.826 5.308 0.00 0.00 WAT1 ATOM 2470 OH2 TIP3 143 12.501 -8.296 9.385 0.00 0.00 WAT1 ATOM 2471 H1 TIP3 143 12.463 -8.942 10.090 0.00 0.00 WAT1 ATOM 2472 H2 TIP3 143 12.178 -8.762 8.614 0.00 0.00 WAT1 ATOM 2473 OH2 TIP3 144 16.207 -5.357 7.687 0.00 0.00 WAT1 ATOM 2474 H1 TIP3 144 15.766 -6.077 8.137 0.00 0.00 WAT1 ATOM 2475 H2 TIP3 144 16.194 -4.636 8.317 0.00 0.00 WAT1 ATOM 2476 OH2 TIP3 145 19.553 -14.262 10.652 0.00 0.00 WAT1 ATOM 2477 H1 TIP3 145 19.602 -13.652 11.388 0.00 0.00 WAT1 ATOM 2478 H2 TIP3 145 19.979 -13.801 9.929 0.00 0.00 WAT1 ATOM 2479 OH2 TIP3 146 14.031 -11.469 10.119 0.00 0.00 WAT1 ATOM 2480 H1 TIP3 146 14.174 -12.416 10.139 0.00 0.00 WAT1 ATOM 2481 H2 TIP3 146 13.925 -11.262 9.190 0.00 0.00 WAT1 ATOM 2482 OH2 TIP3 147 19.945 -12.784 12.888 0.00 0.00 WAT1 ATOM 2483 H1 TIP3 147 19.256 -12.126 12.793 0.00 0.00 WAT1 ATOM 2484 H2 TIP3 147 19.960 -12.981 13.825 0.00 0.00 WAT1 ATOM 2485 OH2 TIP3 148 13.365 -4.950 5.009 0.00 0.00 WAT1 ATOM 2486 H1 TIP3 148 13.069 -5.272 4.158 0.00 0.00 WAT1 ATOM 2487 H2 TIP3 148 13.041 -4.050 5.051 0.00 0.00 WAT1 ATOM 2488 OH2 TIP3 149 16.719 -3.517 10.035 0.00 0.00 WAT1 ATOM 2489 H1 TIP3 149 15.777 -3.459 10.196 0.00 0.00 WAT1 ATOM 2490 H2 TIP3 149 16.995 -2.611 9.898 0.00 0.00 WAT1 ATOM 2491 OH2 TIP3 150 17.019 -15.231 11.452 0.00 0.00 WAT1 ATOM 2492 H1 TIP3 150 16.283 -14.620 11.414 0.00 0.00 WAT1 ATOM 2493 H2 TIP3 150 17.703 -14.816 10.926 0.00 0.00 WAT1 ATOM 2494 OH2 TIP3 151 14.971 -1.736 6.660 0.00 0.00 WAT1 ATOM 2495 H1 TIP3 151 15.396 -2.443 6.175 0.00 0.00 WAT1 ATOM 2496 H2 TIP3 151 15.288 -0.935 6.243 0.00 0.00 WAT1 ATOM 2497 OH2 TIP3 152 16.130 -3.835 5.169 0.00 0.00 WAT1 ATOM 2498 H1 TIP3 152 15.873 -4.525 4.557 0.00 0.00 WAT1 ATOM 2499 H2 TIP3 152 16.201 -4.278 6.014 0.00 0.00 WAT1 ATOM 2500 OH2 TIP3 153 12.289 -8.307 3.418 0.00 0.00 WAT1 ATOM 2501 H1 TIP3 153 11.577 -7.772 3.067 0.00 0.00 WAT1 ATOM 2502 H2 TIP3 153 12.980 -8.251 2.758 0.00 0.00 WAT1 ATOM 2503 OH2 TIP3 154 12.343 -9.849 0.457 0.00 0.00 WAT1 ATOM 2504 H1 TIP3 154 13.044 -9.827 1.108 0.00 0.00 WAT1 ATOM 2505 H2 TIP3 154 12.645 -10.477 -0.199 0.00 0.00 WAT1 ATOM 2506 OH2 TIP3 155 19.658 -8.929 11.712 0.00 0.00 WAT1 ATOM 2507 H1 TIP3 155 19.006 -8.234 11.801 0.00 0.00 WAT1 ATOM 2508 H2 TIP3 155 20.123 -8.719 10.902 0.00 0.00 WAT1 ATOM 2509 OH2 TIP3 156 15.695 -8.097 4.370 0.00 0.00 WAT1 ATOM 2510 H1 TIP3 156 14.963 -7.869 4.943 0.00 0.00 WAT1 ATOM 2511 H2 TIP3 156 16.142 -8.811 4.825 0.00 0.00 WAT1 ATOM 2512 OH2 TIP3 157 15.592 -9.923 13.438 0.00 0.00 WAT1 ATOM 2513 H1 TIP3 157 15.672 -9.160 14.010 0.00 0.00 WAT1 ATOM 2514 H2 TIP3 157 14.991 -9.644 12.747 0.00 0.00 WAT1 ATOM 2515 OH2 TIP3 158 14.566 -8.935 2.055 0.00 0.00 WAT1 ATOM 2516 H1 TIP3 158 15.145 -8.785 2.802 0.00 0.00 WAT1 ATOM 2517 H2 TIP3 158 14.980 -8.464 1.332 0.00 0.00 WAT1 ATOM 2518 OH2 TIP3 159 19.454 -2.819 0.245 0.00 0.00 WAT1 ATOM 2519 H1 TIP3 159 19.527 -1.880 0.415 0.00 0.00 WAT1 ATOM 2520 H2 TIP3 159 20.359 -3.124 0.188 0.00 0.00 WAT1 ATOM 2521 OH2 TIP3 160 15.280 -12.763 13.924 0.00 0.00 WAT1 ATOM 2522 H1 TIP3 160 14.766 -12.889 14.721 0.00 0.00 WAT1 ATOM 2523 H2 TIP3 160 15.125 -11.851 13.679 0.00 0.00 WAT1 ATOM 2524 OH2 TIP3 161 16.043 -7.902 -0.315 0.00 0.00 WAT1 ATOM 2525 H1 TIP3 161 16.085 -8.125 -1.245 0.00 0.00 WAT1 ATOM 2526 H2 TIP3 161 16.892 -7.504 -0.125 0.00 0.00 WAT1 ATOM 2527 OH2 TIP3 162 11.616 -14.026 0.355 0.00 0.00 WAT1 ATOM 2528 H1 TIP3 162 11.362 -14.007 1.278 0.00 0.00 WAT1 ATOM 2529 H2 TIP3 162 11.359 -14.898 0.054 0.00 0.00 WAT1 ATOM 2530 OH2 TIP3 163 12.915 -10.638 4.520 0.00 0.00 WAT1 ATOM 2531 H1 TIP3 163 12.506 -9.823 4.228 0.00 0.00 WAT1 ATOM 2532 H2 TIP3 163 13.635 -10.778 3.905 0.00 0.00 WAT1 ATOM 2533 OH2 TIP3 164 13.919 -11.192 7.334 0.00 0.00 WAT1 ATOM 2534 H1 TIP3 164 13.724 -10.587 6.619 0.00 0.00 WAT1 ATOM 2535 H2 TIP3 164 14.101 -12.026 6.899 0.00 0.00 WAT1 ATOM 2536 OH2 TIP3 165 13.183 -9.554 12.005 0.00 0.00 WAT1 ATOM 2537 H1 TIP3 165 13.507 -10.185 11.362 0.00 0.00 WAT1 ATOM 2538 H2 TIP3 165 12.743 -10.089 12.666 0.00 0.00 WAT1 ATOM 2539 OH2 TIP3 166 14.366 -14.392 10.053 0.00 0.00 WAT1 ATOM 2540 H1 TIP3 166 13.689 -14.261 10.717 0.00 0.00 WAT1 ATOM 2541 H2 TIP3 166 13.880 -14.547 9.243 0.00 0.00 WAT1 ATOM 2542 OH2 TIP3 167 11.281 -10.839 8.676 0.00 0.00 WAT1 ATOM 2543 H1 TIP3 167 11.845 -11.386 8.129 0.00 0.00 WAT1 ATOM 2544 H2 TIP3 167 11.133 -11.361 9.465 0.00 0.00 WAT1 ATOM 2545 OH2 TIP3 168 17.601 -7.105 11.561 0.00 0.00 WAT1 ATOM 2546 H1 TIP3 168 18.243 -6.648 11.018 0.00 0.00 WAT1 ATOM 2547 H2 TIP3 168 16.771 -6.992 11.099 0.00 0.00 WAT1 ATOM 2548 OH2 TIP3 169 15.067 -11.557 2.635 0.00 0.00 WAT1 ATOM 2549 H1 TIP3 169 15.959 -11.694 2.954 0.00 0.00 WAT1 ATOM 2550 H2 TIP3 169 15.124 -10.766 2.098 0.00 0.00 WAT1 ATOM 2551 OH2 TIP3 170 15.408 -7.753 9.816 0.00 0.00 WAT1 ATOM 2552 H1 TIP3 170 14.480 -7.985 9.789 0.00 0.00 WAT1 ATOM 2553 H2 TIP3 170 15.859 -8.530 9.486 0.00 0.00 WAT1 ATOM 2554 OH2 TIP3 171 15.640 -4.585 0.615 0.00 0.00 WAT1 ATOM 2555 H1 TIP3 171 15.993 -4.965 1.419 0.00 0.00 WAT1 ATOM 2556 H2 TIP3 171 14.691 -4.678 0.701 0.00 0.00 WAT1 ATOM 2557 OH2 TIP3 172 20.144 -0.105 0.816 0.00 0.00 WAT1 ATOM 2558 H1 TIP3 172 20.887 0.481 0.676 0.00 0.00 WAT1 ATOM 2559 H2 TIP3 172 19.449 0.463 1.149 0.00 0.00 WAT1 ATOM 2560 OH2 TIP3 173 16.506 -5.912 2.841 0.00 0.00 WAT1 ATOM 2561 H1 TIP3 173 16.229 -6.640 3.397 0.00 0.00 WAT1 ATOM 2562 H2 TIP3 173 17.433 -5.793 3.047 0.00 0.00 WAT1 ATOM 2563 OH2 TIP3 174 13.737 -14.336 3.404 0.00 0.00 WAT1 ATOM 2564 H1 TIP3 174 13.957 -13.864 2.601 0.00 0.00 WAT1 ATOM 2565 H2 TIP3 174 14.295 -13.941 4.075 0.00 0.00 WAT1 ATOM 2566 OH2 TIP3 175 10.937 -12.608 4.239 0.00 0.00 WAT1 ATOM 2567 H1 TIP3 175 11.749 -12.104 4.285 0.00 0.00 WAT1 ATOM 2568 H2 TIP3 175 10.692 -12.753 5.153 0.00 0.00 WAT1 ATOM 2569 OH2 TIP3 176 11.821 -15.527 5.177 0.00 0.00 WAT1 ATOM 2570 H1 TIP3 176 11.474 -14.909 5.822 0.00 0.00 WAT1 ATOM 2571 H2 TIP3 176 12.479 -15.026 4.696 0.00 0.00 WAT1 ATOM 2572 OH2 TIP3 177 17.677 -13.715 14.259 0.00 0.00 WAT1 ATOM 2573 H1 TIP3 177 16.761 -13.452 14.171 0.00 0.00 WAT1 ATOM 2574 H2 TIP3 177 18.013 -13.718 13.362 0.00 0.00 WAT1 ATOM 2575 OH2 TIP3 178 17.366 -0.708 9.977 0.00 0.00 WAT1 ATOM 2576 H1 TIP3 178 17.210 -0.030 9.320 0.00 0.00 WAT1 ATOM 2577 H2 TIP3 178 18.298 -0.636 10.180 0.00 0.00 WAT1 ATOM 2578 OH2 TIP3 179 16.373 -1.793 -0.566 0.00 0.00 WAT1 ATOM 2579 H1 TIP3 179 16.656 -2.587 -0.113 0.00 0.00 WAT1 ATOM 2580 H2 TIP3 179 17.113 -1.560 -1.127 0.00 0.00 WAT1 ATOM 2581 OH2 TIP3 180 18.938 -7.313 -0.695 0.00 0.00 WAT1 ATOM 2582 H1 TIP3 180 18.665 -7.738 -1.508 0.00 0.00 WAT1 ATOM 2583 H2 TIP3 180 18.978 -6.382 -0.912 0.00 0.00 WAT1 ATOM 2584 OH2 TIP3 181 20.082 -0.058 10.206 0.00 0.00 WAT1 ATOM 2585 H1 TIP3 181 20.060 0.127 11.145 0.00 0.00 WAT1 ATOM 2586 H2 TIP3 181 20.772 0.511 9.865 0.00 0.00 WAT1 ATOM 2587 OH2 TIP3 182 19.397 -6.444 3.280 0.00 0.00 WAT1 ATOM 2588 H1 TIP3 182 20.247 -6.023 3.408 0.00 0.00 WAT1 ATOM 2589 H2 TIP3 182 19.402 -7.184 3.888 0.00 0.00 WAT1 ATOM 2590 OH2 TIP3 183 19.550 -5.606 10.052 0.00 0.00 WAT1 ATOM 2591 H1 TIP3 183 20.384 -5.984 9.771 0.00 0.00 WAT1 ATOM 2592 H2 TIP3 183 19.662 -4.663 9.933 0.00 0.00 WAT1 ATOM 2593 OH2 TIP3 184 20.059 -8.490 1.495 0.00 0.00 WAT1 ATOM 2594 H1 TIP3 184 19.538 -8.133 0.776 0.00 0.00 WAT1 ATOM 2595 H2 TIP3 184 20.026 -7.815 2.173 0.00 0.00 WAT1 ATOM 2596 OH2 TIP3 185 17.929 -10.969 12.341 0.00 0.00 WAT1 ATOM 2597 H1 TIP3 185 17.086 -10.701 12.707 0.00 0.00 WAT1 ATOM 2598 H2 TIP3 185 18.372 -10.147 12.130 0.00 0.00 WAT1 ATOM 2599 OH2 TIP3 186 16.820 0.032 5.778 0.00 0.00 WAT1 ATOM 2600 H1 TIP3 186 17.473 -0.315 5.170 0.00 0.00 WAT1 ATOM 2601 H2 TIP3 186 17.331 0.521 6.424 0.00 0.00 WAT1 ATOM 2602 OH2 TIP3 187 12.163 -15.341 8.186 0.00 0.00 WAT1 ATOM 2603 H1 TIP3 187 11.488 -15.970 8.441 0.00 0.00 WAT1 ATOM 2604 H2 TIP3 187 12.727 -15.825 7.583 0.00 0.00 WAT1 ATOM 2605 OH2 TIP3 188 17.305 -17.234 8.298 0.00 0.00 WAT1 ATOM 2606 H1 TIP3 188 17.909 -16.686 7.797 0.00 0.00 WAT1 ATOM 2607 H2 TIP3 188 16.436 -16.914 8.058 0.00 0.00 WAT1 ATOM 2608 OH2 TIP3 189 14.626 -16.750 7.470 0.00 0.00 WAT1 ATOM 2609 H1 TIP3 189 14.702 -16.655 6.521 0.00 0.00 WAT1 ATOM 2610 H2 TIP3 189 14.350 -17.658 7.599 0.00 0.00 WAT1 ATOM 2611 OH2 TIP3 190 10.213 -14.700 2.711 0.00 0.00 WAT1 ATOM 2612 H1 TIP3 190 10.391 -15.346 3.394 0.00 0.00 WAT1 ATOM 2613 H2 TIP3 190 10.159 -13.866 3.178 0.00 0.00 WAT1 ATOM 2614 OH2 TIP3 191 18.800 -0.188 3.786 0.00 0.00 WAT1 ATOM 2615 H1 TIP3 191 18.606 -0.936 3.221 0.00 0.00 WAT1 ATOM 2616 H2 TIP3 191 18.761 0.570 3.202 0.00 0.00 WAT1 ATOM 2617 OH2 TIP3 192 20.212 1.867 -1.161 0.00 0.00 WAT1 ATOM 2618 H1 TIP3 192 20.562 1.213 -1.767 0.00 0.00 WAT1 ATOM 2619 H2 TIP3 192 20.359 2.704 -1.601 0.00 0.00 WAT1 ATOM 2620 OH2 TIP3 193 18.264 1.671 1.868 0.00 0.00 WAT1 ATOM 2621 H1 TIP3 193 17.365 1.810 2.163 0.00 0.00 WAT1 ATOM 2622 H2 TIP3 193 18.516 2.502 1.466 0.00 0.00 WAT1 ATOM 2623 OH2 TIP3 194 17.902 3.832 4.178 0.00 0.00 WAT1 ATOM 2624 H1 TIP3 194 18.084 3.383 5.003 0.00 0.00 WAT1 ATOM 2625 H2 TIP3 194 17.302 3.247 3.714 0.00 0.00 WAT1 ATOM 2626 OH2 TIP3 195 19.768 3.899 0.706 0.00 0.00 WAT1 ATOM 2627 H1 TIP3 195 20.181 3.178 0.230 0.00 0.00 WAT1 ATOM 2628 H2 TIP3 195 20.450 4.569 0.764 0.00 0.00 WAT1 ATOM 2629 OH2 TIP3 196 17.305 1.622 8.298 0.00 0.00 WAT1 ATOM 2630 H1 TIP3 196 17.909 2.170 7.797 0.00 0.00 WAT1 ATOM 2631 H2 TIP3 196 16.436 1.942 8.058 0.00 0.00 WAT1 ATOM 2632 OH2 TIP3 197 19.032 2.761 6.632 0.00 0.00 WAT1 ATOM 2633 H1 TIP3 197 19.644 2.247 6.105 0.00 0.00 WAT1 ATOM 2634 H2 TIP3 197 19.415 3.639 6.655 0.00 0.00 WAT1 ATOM 2635 OH2 TIP3 198 15.979 2.132 3.163 0.00 0.00 WAT1 ATOM 2636 H1 TIP3 198 15.276 2.746 2.953 0.00 0.00 WAT1 ATOM 2637 H2 TIP3 198 15.534 1.294 3.294 0.00 0.00 WAT1 ATOM 2638 OH2 TIP3 199 39.227 -21.444 -41.345 0.00 0.00 WAT1 ATOM 2639 H1 TIP3 199 39.178 -22.399 -41.382 0.00 0.00 WAT1 ATOM 2640 H2 TIP3 199 38.401 -21.176 -40.943 0.00 0.00 WAT1 ATOM 2641 OH2 TIP3 200 36.509 -17.576 -40.238 0.00 0.00 WAT1 ATOM 2642 H1 TIP3 200 36.709 -17.152 -41.073 0.00 0.00 WAT1 ATOM 2643 H2 TIP3 200 37.165 -17.233 -39.631 0.00 0.00 WAT1 ATOM 2644 OH2 TIP3 201 38.938 -18.914 -46.362 0.00 0.00 WAT1 ATOM 2645 H1 TIP3 201 38.916 -18.729 -45.423 0.00 0.00 WAT1 ATOM 2646 H2 TIP3 201 39.628 -18.345 -46.703 0.00 0.00 WAT1 ATOM 2647 OH2 TIP3 202 38.501 -19.347 -43.440 0.00 0.00 WAT1 ATOM 2648 H1 TIP3 202 38.014 -20.082 -43.811 0.00 0.00 WAT1 ATOM 2649 H2 TIP3 202 39.050 -19.740 -42.762 0.00 0.00 WAT1 ATOM 2650 OH2 TIP3 203 38.310 -21.675 -37.467 0.00 0.00 WAT1 ATOM 2651 H1 TIP3 203 38.383 -20.736 -37.297 0.00 0.00 WAT1 ATOM 2652 H2 TIP3 203 39.215 -21.980 -37.524 0.00 0.00 WAT1 ATOM 2653 OH2 TIP3 204 39.227 -21.444 -22.489 0.00 0.00 WAT1 ATOM 2654 H1 TIP3 204 39.178 -22.399 -22.526 0.00 0.00 WAT1 ATOM 2655 H2 TIP3 204 38.401 -21.176 -22.087 0.00 0.00 WAT1 ATOM 2656 OH2 TIP3 205 33.391 -19.018 -34.055 0.00 0.00 WAT1 ATOM 2657 H1 TIP3 205 32.456 -18.918 -33.876 0.00 0.00 WAT1 ATOM 2658 H2 TIP3 205 33.671 -19.727 -33.477 0.00 0.00 WAT1 ATOM 2659 OH2 TIP3 206 36.509 -17.576 -21.382 0.00 0.00 WAT1 ATOM 2660 H1 TIP3 206 36.709 -17.152 -22.217 0.00 0.00 WAT1 ATOM 2661 H2 TIP3 206 37.165 -17.233 -20.775 0.00 0.00 WAT1 ATOM 2662 OH2 TIP3 207 34.952 -19.818 -23.702 0.00 0.00 WAT1 ATOM 2663 H1 TIP3 207 34.350 -20.373 -24.197 0.00 0.00 WAT1 ATOM 2664 H2 TIP3 207 35.233 -19.151 -24.328 0.00 0.00 WAT1 ATOM 2665 OH2 TIP3 208 39.000 -18.961 -36.896 0.00 0.00 WAT1 ATOM 2666 H1 TIP3 208 39.743 -18.375 -37.036 0.00 0.00 WAT1 ATOM 2667 H2 TIP3 208 38.305 -18.393 -36.563 0.00 0.00 WAT1 ATOM 2668 OH2 TIP3 209 36.222 -19.564 -27.735 0.00 0.00 WAT1 ATOM 2669 H1 TIP3 209 36.066 -18.886 -28.392 0.00 0.00 WAT1 ATOM 2670 H2 TIP3 209 37.154 -19.492 -27.532 0.00 0.00 WAT1 ATOM 2671 OH2 TIP3 210 21.936 -18.893 -21.507 0.00 0.00 WAT1 ATOM 2672 H1 TIP3 210 22.476 -19.110 -20.748 0.00 0.00 WAT1 ATOM 2673 H2 TIP3 210 21.455 -19.699 -21.697 0.00 0.00 WAT1 ATOM 2674 OH2 TIP3 211 26.533 -19.974 -19.887 0.00 0.00 WAT1 ATOM 2675 H1 TIP3 211 27.301 -20.433 -19.546 0.00 0.00 WAT1 ATOM 2676 H2 TIP3 211 26.512 -20.200 -20.817 0.00 0.00 WAT1 ATOM 2677 OH2 TIP3 212 38.938 -18.914 -27.506 0.00 0.00 WAT1 ATOM 2678 H1 TIP3 212 38.916 -18.729 -26.567 0.00 0.00 WAT1 ATOM 2679 H2 TIP3 212 39.628 -18.345 -27.847 0.00 0.00 WAT1 ATOM 2680 OH2 TIP3 213 38.501 -19.347 -24.584 0.00 0.00 WAT1 ATOM 2681 H1 TIP3 213 38.014 -20.082 -24.955 0.00 0.00 WAT1 ATOM 2682 H2 TIP3 213 39.050 -19.740 -23.906 0.00 0.00 WAT1 ATOM 2683 OH2 TIP3 214 36.893 -21.584 -25.353 0.00 0.00 WAT1 ATOM 2684 H1 TIP3 214 36.245 -21.259 -24.728 0.00 0.00 WAT1 ATOM 2685 H2 TIP3 214 36.375 -22.024 -26.028 0.00 0.00 WAT1 ATOM 2686 OH2 TIP3 215 35.676 -18.824 -31.934 0.00 0.00 WAT1 ATOM 2687 H1 TIP3 215 36.329 -19.171 -32.542 0.00 0.00 WAT1 ATOM 2688 H2 TIP3 215 36.187 -18.335 -31.288 0.00 0.00 WAT1 ATOM 2689 OH2 TIP3 216 32.922 -19.298 -25.934 0.00 0.00 WAT1 ATOM 2690 H1 TIP3 216 32.018 -19.133 -26.200 0.00 0.00 WAT1 ATOM 2691 H2 TIP3 216 33.351 -18.445 -26.000 0.00 0.00 WAT1 ATOM 2692 OH2 TIP3 217 35.527 -17.728 -25.639 0.00 0.00 WAT1 ATOM 2693 H1 TIP3 217 35.345 -16.812 -25.850 0.00 0.00 WAT1 ATOM 2694 H2 TIP3 217 35.703 -18.138 -26.486 0.00 0.00 WAT1 ATOM 2695 OH2 TIP3 218 37.656 -19.044 -33.926 0.00 0.00 WAT1 ATOM 2696 H1 TIP3 218 37.462 -19.792 -34.491 0.00 0.00 WAT1 ATOM 2697 H2 TIP3 218 37.617 -18.286 -34.510 0.00 0.00 WAT1 ATOM 2698 OH2 TIP3 219 36.874 -20.293 -21.776 0.00 0.00 WAT1 ATOM 2699 H1 TIP3 219 36.092 -20.479 -22.296 0.00 0.00 WAT1 ATOM 2700 H2 TIP3 219 36.802 -19.364 -21.559 0.00 0.00 WAT1 ATOM 2701 OH2 TIP3 220 31.357 -27.152 -9.471 0.00 0.00 WAT1 ATOM 2702 H1 TIP3 220 31.319 -27.798 -8.766 0.00 0.00 WAT1 ATOM 2703 H2 TIP3 220 31.034 -27.618 -10.242 0.00 0.00 WAT1 ATOM 2704 OH2 TIP3 221 23.725 -27.537 -7.878 0.00 0.00 WAT1 ATOM 2705 H1 TIP3 221 23.767 -28.163 -7.154 0.00 0.00 WAT1 ATOM 2706 H2 TIP3 221 24.428 -26.914 -7.696 0.00 0.00 WAT1 ATOM 2707 OH2 TIP3 222 24.649 -23.087 -9.343 0.00 0.00 WAT1 ATOM 2708 H1 TIP3 222 24.279 -23.889 -9.712 0.00 0.00 WAT1 ATOM 2709 H2 TIP3 222 25.590 -23.256 -9.296 0.00 0.00 WAT1 ATOM 2710 OH2 TIP3 223 21.259 -29.427 -13.950 0.00 0.00 WAT1 ATOM 2711 H1 TIP3 223 20.811 -28.581 -13.968 0.00 0.00 WAT1 ATOM 2712 H2 TIP3 223 20.698 -30.007 -14.465 0.00 0.00 WAT1 ATOM 2713 OH2 TIP3 224 21.969 -27.265 -11.824 0.00 0.00 WAT1 ATOM 2714 H1 TIP3 224 22.183 -28.035 -11.297 0.00 0.00 WAT1 ATOM 2715 H2 TIP3 224 22.707 -27.176 -12.427 0.00 0.00 WAT1 ATOM 2716 OH2 TIP3 225 29.746 -24.719 -9.065 0.00 0.00 WAT1 ATOM 2717 H1 TIP3 225 30.050 -25.405 -9.659 0.00 0.00 WAT1 ATOM 2718 H2 TIP3 225 30.468 -24.601 -8.447 0.00 0.00 WAT1 ATOM 2719 OH2 TIP3 226 32.887 -30.325 -8.737 0.00 0.00 WAT1 ATOM 2720 H1 TIP3 226 33.030 -31.272 -8.717 0.00 0.00 WAT1 ATOM 2721 H2 TIP3 226 32.781 -30.118 -9.666 0.00 0.00 WAT1 ATOM 2722 OH2 TIP3 227 33.764 -32.093 -13.064 0.00 0.00 WAT1 ATOM 2723 H1 TIP3 227 34.410 -32.422 -12.439 0.00 0.00 WAT1 ATOM 2724 H2 TIP3 227 34.274 -31.575 -13.687 0.00 0.00 WAT1 ATOM 2725 OH2 TIP3 228 22.662 -29.827 -10.703 0.00 0.00 WAT1 ATOM 2726 H1 TIP3 228 23.316 -30.377 -10.271 0.00 0.00 WAT1 ATOM 2727 H2 TIP3 228 22.686 -30.101 -11.619 0.00 0.00 WAT1 ATOM 2728 OH2 TIP3 229 32.221 -23.806 -13.847 0.00 0.00 WAT1 ATOM 2729 H1 TIP3 229 31.925 -24.128 -14.698 0.00 0.00 WAT1 ATOM 2730 H2 TIP3 229 31.897 -22.906 -13.805 0.00 0.00 WAT1 ATOM 2731 OH2 TIP3 230 27.421 -25.630 -7.103 0.00 0.00 WAT1 ATOM 2732 H1 TIP3 230 26.681 -25.032 -7.000 0.00 0.00 WAT1 ATOM 2733 H2 TIP3 230 28.135 -25.076 -7.419 0.00 0.00 WAT1 ATOM 2734 OH2 TIP3 231 35.528 -32.802 -11.083 0.00 0.00 WAT1 ATOM 2735 H1 TIP3 231 35.313 -33.568 -10.551 0.00 0.00 WAT1 ATOM 2736 H2 TIP3 231 36.184 -32.330 -10.570 0.00 0.00 WAT1 ATOM 2737 OH2 TIP3 232 24.446 -31.414 -9.438 0.00 0.00 WAT1 ATOM 2738 H1 TIP3 232 25.059 -30.781 -9.065 0.00 0.00 WAT1 ATOM 2739 H2 TIP3 232 24.958 -31.886 -10.095 0.00 0.00 WAT1 ATOM 2740 OH2 TIP3 233 25.829 -23.666 -6.316 0.00 0.00 WAT1 ATOM 2741 H1 TIP3 233 25.823 -22.787 -6.694 0.00 0.00 WAT1 ATOM 2742 H2 TIP3 233 24.975 -23.749 -5.891 0.00 0.00 WAT1 ATOM 2743 OH2 TIP3 234 21.950 -23.995 -15.534 0.00 0.00 WAT1 ATOM 2744 H1 TIP3 234 21.678 -23.766 -16.423 0.00 0.00 WAT1 ATOM 2745 H2 TIP3 234 21.995 -23.157 -15.074 0.00 0.00 WAT1 ATOM 2746 OH2 TIP3 235 31.145 -27.163 -15.438 0.00 0.00 WAT1 ATOM 2747 H1 TIP3 235 30.433 -26.628 -15.789 0.00 0.00 WAT1 ATOM 2748 H2 TIP3 235 31.836 -27.107 -16.098 0.00 0.00 WAT1 ATOM 2749 OH2 TIP3 236 38.514 -27.785 -7.144 0.00 0.00 WAT1 ATOM 2750 H1 TIP3 236 37.862 -27.090 -7.055 0.00 0.00 WAT1 ATOM 2751 H2 TIP3 236 38.979 -27.575 -7.954 0.00 0.00 WAT1 ATOM 2752 OH2 TIP3 237 34.448 -28.779 -5.418 0.00 0.00 WAT1 ATOM 2753 H1 TIP3 237 34.528 -28.016 -4.846 0.00 0.00 WAT1 ATOM 2754 H2 TIP3 237 33.847 -28.500 -6.109 0.00 0.00 WAT1 ATOM 2755 OH2 TIP3 238 26.196 -26.323 -12.603 0.00 0.00 WAT1 ATOM 2756 H1 TIP3 238 25.866 -26.693 -13.422 0.00 0.00 WAT1 ATOM 2757 H2 TIP3 238 26.784 -26.993 -12.257 0.00 0.00 WAT1 ATOM 2758 OH2 TIP3 239 27.563 -22.895 -9.922 0.00 0.00 WAT1 ATOM 2759 H1 TIP3 239 27.468 -23.473 -10.679 0.00 0.00 WAT1 ATOM 2760 H2 TIP3 239 28.292 -23.266 -9.426 0.00 0.00 WAT1 ATOM 2761 OH2 TIP3 240 26.563 -27.554 -8.970 0.00 0.00 WAT1 ATOM 2762 H1 TIP3 240 27.128 -27.433 -9.733 0.00 0.00 WAT1 ATOM 2763 H2 TIP3 240 26.882 -26.917 -8.331 0.00 0.00 WAT1 ATOM 2764 OH2 TIP3 241 27.443 -23.155 -4.253 0.00 0.00 WAT1 ATOM 2765 H1 TIP3 241 27.131 -22.373 -3.797 0.00 0.00 WAT1 ATOM 2766 H2 TIP3 241 26.793 -23.308 -4.939 0.00 0.00 WAT1 ATOM 2767 OH2 TIP3 242 33.422 -27.791 -16.801 0.00 0.00 WAT1 ATOM 2768 H1 TIP3 242 34.001 -27.641 -16.054 0.00 0.00 WAT1 ATOM 2769 H2 TIP3 242 33.836 -27.320 -17.524 0.00 0.00 WAT1 ATOM 2770 OH2 TIP3 243 24.363 -26.957 -5.024 0.00 0.00 WAT1 ATOM 2771 H1 TIP3 243 24.433 -26.306 -4.326 0.00 0.00 WAT1 ATOM 2772 H2 TIP3 243 23.472 -26.854 -5.359 0.00 0.00 WAT1 ATOM 2773 OH2 TIP3 244 31.148 -21.054 -13.366 0.00 0.00 WAT1 ATOM 2774 H1 TIP3 244 31.622 -20.759 -12.588 0.00 0.00 WAT1 ATOM 2775 H2 TIP3 244 30.585 -20.316 -13.599 0.00 0.00 WAT1 ATOM 2776 OH2 TIP3 245 38.310 -21.675 -18.611 0.00 0.00 WAT1 ATOM 2777 H1 TIP3 245 38.383 -20.736 -18.441 0.00 0.00 WAT1 ATOM 2778 H2 TIP3 245 39.215 -21.980 -18.668 0.00 0.00 WAT1 ATOM 2779 OH2 TIP3 246 30.206 -21.870 -4.757 0.00 0.00 WAT1 ATOM 2780 H1 TIP3 246 30.293 -21.044 -4.282 0.00 0.00 WAT1 ATOM 2781 H2 TIP3 246 29.342 -22.200 -4.508 0.00 0.00 WAT1 ATOM 2782 OH2 TIP3 247 33.722 -18.944 -17.948 0.00 0.00 WAT1 ATOM 2783 H1 TIP3 247 34.097 -19.688 -18.419 0.00 0.00 WAT1 ATOM 2784 H2 TIP3 247 33.726 -19.214 -17.030 0.00 0.00 WAT1 ATOM 2785 OH2 TIP3 248 36.379 -29.951 -3.153 0.00 0.00 WAT1 ATOM 2786 H1 TIP3 248 35.972 -29.470 -3.873 0.00 0.00 WAT1 ATOM 2787 H2 TIP3 248 36.420 -30.856 -3.460 0.00 0.00 WAT1 ATOM 2788 OH2 TIP3 249 23.528 -23.567 -5.156 0.00 0.00 WAT1 ATOM 2789 H1 TIP3 249 23.745 -23.928 -4.296 0.00 0.00 WAT1 ATOM 2790 H2 TIP3 249 22.673 -23.941 -5.366 0.00 0.00 WAT1 ATOM 2791 OH2 TIP3 250 34.899 -26.758 -19.171 0.00 0.00 WAT1 ATOM 2792 H1 TIP3 250 34.941 -26.981 -20.101 0.00 0.00 WAT1 ATOM 2793 H2 TIP3 250 35.748 -26.360 -18.981 0.00 0.00 WAT1 ATOM 2794 OH2 TIP3 251 26.238 -30.131 -8.065 0.00 0.00 WAT1 ATOM 2795 H1 TIP3 251 25.596 -30.172 -7.356 0.00 0.00 WAT1 ATOM 2796 H2 TIP3 251 26.275 -29.205 -8.303 0.00 0.00 WAT1 ATOM 2797 OH2 TIP3 252 31.771 -29.494 -14.336 0.00 0.00 WAT1 ATOM 2798 H1 TIP3 252 31.362 -28.679 -14.628 0.00 0.00 WAT1 ATOM 2799 H2 TIP3 252 32.491 -29.634 -14.951 0.00 0.00 WAT1 ATOM 2800 OH2 TIP3 253 32.775 -30.048 -11.522 0.00 0.00 WAT1 ATOM 2801 H1 TIP3 253 32.580 -29.443 -12.237 0.00 0.00 WAT1 ATOM 2802 H2 TIP3 253 32.957 -30.882 -11.957 0.00 0.00 WAT1 ATOM 2803 OH2 TIP3 254 23.988 -29.811 -6.198 0.00 0.00 WAT1 ATOM 2804 H1 TIP3 254 23.950 -29.411 -5.330 0.00 0.00 WAT1 ATOM 2805 H2 TIP3 254 23.497 -30.628 -6.108 0.00 0.00 WAT1 ATOM 2806 OH2 TIP3 255 32.039 -28.410 -6.851 0.00 0.00 WAT1 ATOM 2807 H1 TIP3 255 32.363 -29.041 -7.494 0.00 0.00 WAT1 ATOM 2808 H2 TIP3 255 31.599 -28.945 -6.190 0.00 0.00 WAT1 ATOM 2809 OH2 TIP3 256 24.107 -25.102 -2.918 0.00 0.00 WAT1 ATOM 2810 H1 TIP3 256 24.840 -24.848 -2.357 0.00 0.00 WAT1 ATOM 2811 H2 TIP3 256 23.327 -24.898 -2.403 0.00 0.00 WAT1 ATOM 2812 OH2 TIP3 257 30.137 -29.695 -10.180 0.00 0.00 WAT1 ATOM 2813 H1 TIP3 257 30.701 -30.242 -10.727 0.00 0.00 WAT1 ATOM 2814 H2 TIP3 257 29.989 -30.217 -9.391 0.00 0.00 WAT1 ATOM 2815 OH2 TIP3 258 29.307 -25.094 -16.081 0.00 0.00 WAT1 ATOM 2816 H1 TIP3 258 28.563 -25.601 -16.404 0.00 0.00 WAT1 ATOM 2817 H2 TIP3 258 29.173 -25.045 -15.135 0.00 0.00 WAT1 ATOM 2818 OH2 TIP3 259 30.827 -24.910 -4.844 0.00 0.00 WAT1 ATOM 2819 H1 TIP3 259 30.481 -25.291 -4.038 0.00 0.00 WAT1 ATOM 2820 H2 TIP3 259 30.627 -23.976 -4.773 0.00 0.00 WAT1 ATOM 2821 OH2 TIP3 260 33.923 -30.413 -16.221 0.00 0.00 WAT1 ATOM 2822 H1 TIP3 260 34.815 -30.550 -15.902 0.00 0.00 WAT1 ATOM 2823 H2 TIP3 260 33.980 -29.622 -16.758 0.00 0.00 WAT1 ATOM 2824 OH2 TIP3 261 24.432 -25.799 -10.312 0.00 0.00 WAT1 ATOM 2825 H1 TIP3 261 25.177 -25.801 -10.913 0.00 0.00 WAT1 ATOM 2826 H2 TIP3 261 24.510 -26.623 -9.830 0.00 0.00 WAT1 ATOM 2827 OH2 TIP3 262 31.433 -23.635 -17.056 0.00 0.00 WAT1 ATOM 2828 H1 TIP3 262 31.138 -22.809 -16.674 0.00 0.00 WAT1 ATOM 2829 H2 TIP3 262 30.730 -24.255 -16.860 0.00 0.00 WAT1 ATOM 2830 OH2 TIP3 263 38.808 -30.203 -16.527 0.00 0.00 WAT1 ATOM 2831 H1 TIP3 263 38.254 -30.599 -17.199 0.00 0.00 WAT1 ATOM 2832 H2 TIP3 263 38.909 -29.293 -16.804 0.00 0.00 WAT1 ATOM 2833 OH2 TIP3 264 37.104 -21.417 -16.062 0.00 0.00 WAT1 ATOM 2834 H1 TIP3 264 36.731 -22.243 -15.752 0.00 0.00 WAT1 ATOM 2835 H2 TIP3 264 37.381 -21.600 -16.959 0.00 0.00 WAT1 ATOM 2836 OH2 TIP3 265 26.807 -22.281 -12.907 0.00 0.00 WAT1 ATOM 2837 H1 TIP3 265 27.334 -21.508 -13.108 0.00 0.00 WAT1 ATOM 2838 H2 TIP3 265 25.927 -22.056 -13.209 0.00 0.00 WAT1 ATOM 2839 OH2 TIP3 266 28.234 -24.618 -13.331 0.00 0.00 WAT1 ATOM 2840 H1 TIP3 266 27.993 -23.693 -13.289 0.00 0.00 WAT1 ATOM 2841 H2 TIP3 266 27.494 -25.077 -12.935 0.00 0.00 WAT1 ATOM 2842 OH2 TIP3 267 28.749 -20.469 -7.016 0.00 0.00 WAT1 ATOM 2843 H1 TIP3 267 29.112 -19.614 -7.249 0.00 0.00 WAT1 ATOM 2844 H2 TIP3 267 29.281 -20.761 -6.275 0.00 0.00 WAT1 ATOM 2845 OH2 TIP3 268 34.496 -23.441 -18.241 0.00 0.00 WAT1 ATOM 2846 H1 TIP3 268 34.849 -23.821 -17.437 0.00 0.00 WAT1 ATOM 2847 H2 TIP3 268 33.547 -23.534 -18.155 0.00 0.00 WAT1 ATOM 2848 OH2 TIP3 269 39.000 -18.961 -18.040 0.00 0.00 WAT1 ATOM 2849 H1 TIP3 269 39.743 -18.375 -18.180 0.00 0.00 WAT1 ATOM 2850 H2 TIP3 269 38.305 -18.393 -17.707 0.00 0.00 WAT1 ATOM 2851 OH2 TIP3 270 35.362 -24.768 -16.015 0.00 0.00 WAT1 ATOM 2852 H1 TIP3 270 35.085 -25.496 -15.459 0.00 0.00 WAT1 ATOM 2853 H2 TIP3 270 36.289 -24.649 -15.809 0.00 0.00 WAT1 ATOM 2854 OH2 TIP3 271 30.262 -21.061 -16.589 0.00 0.00 WAT1 ATOM 2855 H1 TIP3 271 29.445 -20.564 -16.536 0.00 0.00 WAT1 ATOM 2856 H2 TIP3 271 30.791 -20.586 -17.229 0.00 0.00 WAT1 ATOM 2857 OH2 TIP3 272 27.600 -20.018 -16.607 0.00 0.00 WAT1 ATOM 2858 H1 TIP3 272 27.761 -19.218 -17.108 0.00 0.00 WAT1 ATOM 2859 H2 TIP3 272 27.403 -19.711 -15.722 0.00 0.00 WAT1 ATOM 2860 OH2 TIP3 273 35.135 -28.820 -10.501 0.00 0.00 WAT1 ATOM 2861 H1 TIP3 273 34.338 -29.235 -10.830 0.00 0.00 WAT1 ATOM 2862 H2 TIP3 273 35.580 -29.511 -10.010 0.00 0.00 WAT1 ATOM 2863 OH2 TIP3 274 24.593 -22.892 -17.931 0.00 0.00 WAT1 ATOM 2864 H1 TIP3 274 25.185 -22.193 -17.655 0.00 0.00 WAT1 ATOM 2865 H2 TIP3 274 25.052 -23.325 -18.650 0.00 0.00 WAT1 ATOM 2866 OH2 TIP3 275 26.533 -19.974 -1.031 0.00 0.00 WAT1 ATOM 2867 H1 TIP3 275 27.301 -20.433 -0.690 0.00 0.00 WAT1 ATOM 2868 H2 TIP3 275 26.512 -20.200 -1.961 0.00 0.00 WAT1 ATOM 2869 OH2 TIP3 276 30.625 -20.466 -19.656 0.00 0.00 WAT1 ATOM 2870 H1 TIP3 276 29.981 -21.097 -19.334 0.00 0.00 WAT1 ATOM 2871 H2 TIP3 276 31.387 -20.997 -19.888 0.00 0.00 WAT1 ATOM 2872 OH2 TIP3 277 35.229 -20.649 -19.422 0.00 0.00 WAT1 ATOM 2873 H1 TIP3 277 35.512 -21.443 -18.969 0.00 0.00 WAT1 ATOM 2874 H2 TIP3 277 35.969 -20.416 -19.983 0.00 0.00 WAT1 ATOM 2875 OH2 TIP3 278 21.843 -25.083 -1.697 0.00 0.00 WAT1 ATOM 2876 H1 TIP3 278 21.987 -25.985 -1.983 0.00 0.00 WAT1 ATOM 2877 H2 TIP3 278 21.070 -24.797 -2.185 0.00 0.00 WAT1 ATOM 2878 OH2 TIP3 279 22.675 -27.883 -2.277 0.00 0.00 WAT1 ATOM 2879 H1 TIP3 279 23.083 -28.740 -2.398 0.00 0.00 WAT1 ATOM 2880 H2 TIP3 279 22.415 -27.868 -1.356 0.00 0.00 WAT1 ATOM 2881 OH2 TIP3 280 31.642 -26.403 -1.625 0.00 0.00 WAT1 ATOM 2882 H1 TIP3 280 32.595 -26.319 -1.653 0.00 0.00 WAT1 ATOM 2883 H2 TIP3 280 31.482 -27.114 -1.006 0.00 0.00 WAT1 ATOM 2884 OH2 TIP3 281 37.794 -26.169 -19.551 0.00 0.00 WAT1 ATOM 2885 H1 TIP3 281 37.521 -26.594 -20.364 0.00 0.00 WAT1 ATOM 2886 H2 TIP3 281 37.834 -25.238 -19.768 0.00 0.00 WAT1 ATOM 2887 OH2 TIP3 282 33.372 -29.895 -1.060 0.00 0.00 WAT1 ATOM 2888 H1 TIP3 282 33.564 -30.826 -1.171 0.00 0.00 WAT1 ATOM 2889 H2 TIP3 282 34.229 -29.470 -1.070 0.00 0.00 WAT1 ATOM 2890 OH2 TIP3 283 34.688 -27.106 -2.982 0.00 0.00 WAT1 ATOM 2891 H1 TIP3 283 34.407 -26.397 -3.560 0.00 0.00 WAT1 ATOM 2892 H2 TIP3 283 35.631 -27.179 -3.133 0.00 0.00 WAT1 ATOM 2893 OH2 TIP3 284 28.302 -17.833 -17.995 0.00 0.00 WAT1 ATOM 2894 H1 TIP3 284 29.235 -17.675 -17.851 0.00 0.00 WAT1 ATOM 2895 H2 TIP3 284 28.038 -17.158 -18.620 0.00 0.00 WAT1 ATOM 2896 OH2 TIP3 285 21.870 -23.197 -18.512 0.00 0.00 WAT1 ATOM 2897 H1 TIP3 285 22.784 -23.118 -18.239 0.00 0.00 WAT1 ATOM 2898 H2 TIP3 285 21.877 -23.884 -19.179 0.00 0.00 WAT1 ATOM 2899 OH2 TIP3 286 38.253 -25.300 -15.576 0.00 0.00 WAT1 ATOM 2900 H1 TIP3 286 39.103 -24.879 -15.448 0.00 0.00 WAT1 ATOM 2901 H2 TIP3 286 38.258 -26.040 -14.968 0.00 0.00 WAT1 ATOM 2902 OH2 TIP3 287 38.915 -27.346 -17.361 0.00 0.00 WAT1 ATOM 2903 H1 TIP3 287 38.394 -26.989 -18.080 0.00 0.00 WAT1 ATOM 2904 H2 TIP3 287 38.882 -26.671 -16.683 0.00 0.00 WAT1 ATOM 2905 OH2 TIP3 288 36.434 -28.726 -13.189 0.00 0.00 WAT1 ATOM 2906 H1 TIP3 288 36.284 -29.671 -13.209 0.00 0.00 WAT1 ATOM 2907 H2 TIP3 288 36.080 -28.445 -12.345 0.00 0.00 WAT1 ATOM 2908 OH2 TIP3 289 38.787 -28.853 -2.866 0.00 0.00 WAT1 ATOM 2909 H1 TIP3 289 37.924 -29.232 -3.031 0.00 0.00 WAT1 ATOM 2910 H2 TIP3 289 39.391 -29.592 -2.940 0.00 0.00 WAT1 ATOM 2911 OH2 TIP3 290 36.144 -31.143 -14.727 0.00 0.00 WAT1 ATOM 2912 H1 TIP3 290 36.424 -32.050 -14.602 0.00 0.00 WAT1 ATOM 2913 H2 TIP3 290 36.903 -30.709 -15.116 0.00 0.00 WAT1 ATOM 2914 OH2 TIP3 291 36.756 -30.562 -9.291 0.00 0.00 WAT1 ATOM 2915 H1 TIP3 291 37.689 -30.350 -9.325 0.00 0.00 WAT1 ATOM 2916 H2 TIP3 291 36.521 -30.460 -8.368 0.00 0.00 WAT1 ATOM 2917 OH2 TIP3 292 36.785 -29.825 -6.515 0.00 0.00 WAT1 ATOM 2918 H1 TIP3 292 35.942 -29.557 -6.149 0.00 0.00 WAT1 ATOM 2919 H2 TIP3 292 37.228 -29.003 -6.726 0.00 0.00 WAT1 ATOM 2920 OH2 TIP3 293 21.067 -31.377 -3.038 0.00 0.00 WAT1 ATOM 2921 H1 TIP3 293 21.986 -31.499 -2.802 0.00 0.00 WAT1 ATOM 2922 H2 TIP3 293 20.617 -32.127 -2.649 0.00 0.00 WAT1 ATOM 2923 OH2 TIP3 294 20.592 -30.066 -9.078 0.00 0.00 WAT1 ATOM 2924 H1 TIP3 294 21.084 -30.287 -9.868 0.00 0.00 WAT1 ATOM 2925 H2 TIP3 294 20.954 -29.225 -8.797 0.00 0.00 WAT1 ATOM 2926 OH2 TIP3 295 23.061 -21.895 -2.535 0.00 0.00 WAT1 ATOM 2927 H1 TIP3 295 22.240 -21.720 -2.995 0.00 0.00 WAT1 ATOM 2928 H2 TIP3 295 22.809 -21.968 -1.614 0.00 0.00 WAT1 ATOM 2929 OH2 TIP3 296 26.015 -20.920 -6.276 0.00 0.00 WAT1 ATOM 2930 H1 TIP3 296 25.590 -20.111 -6.559 0.00 0.00 WAT1 ATOM 2931 H2 TIP3 296 26.920 -20.835 -6.578 0.00 0.00 WAT1 ATOM 2932 OH2 TIP3 297 30.326 -19.521 -3.317 0.00 0.00 WAT1 ATOM 2933 H1 TIP3 297 30.511 -19.855 -2.439 0.00 0.00 WAT1 ATOM 2934 H2 TIP3 297 31.173 -19.212 -3.639 0.00 0.00 WAT1 ATOM 2935 OH2 TIP3 298 22.083 -19.817 -16.147 0.00 0.00 WAT1 ATOM 2936 H1 TIP3 298 21.398 -19.855 -16.815 0.00 0.00 WAT1 ATOM 2937 H2 TIP3 298 22.086 -18.904 -15.859 0.00 0.00 WAT1 ATOM 2938 OH2 TIP3 299 30.947 -18.607 -17.750 0.00 0.00 WAT1 ATOM 2939 H1 TIP3 299 31.813 -18.241 -17.928 0.00 0.00 WAT1 ATOM 2940 H2 TIP3 299 30.700 -19.047 -18.563 0.00 0.00 WAT1 ATOM 2941 OH2 TIP3 300 23.901 -18.897 -19.122 0.00 0.00 WAT1 ATOM 2942 H1 TIP3 300 23.633 -18.610 -18.249 0.00 0.00 WAT1 ATOM 2943 H2 TIP3 300 24.672 -19.443 -18.970 0.00 0.00 WAT1 ATOM 2944 OH2 TIP3 301 24.649 -23.087 9.513 0.00 0.00 WAT1 ATOM 2945 H1 TIP3 301 24.279 -23.889 9.144 0.00 0.00 WAT1 ATOM 2946 H2 TIP3 301 25.590 -23.256 9.560 0.00 0.00 WAT1 ATOM 2947 OH2 TIP3 302 21.259 -29.427 4.906 0.00 0.00 WAT1 ATOM 2948 H1 TIP3 302 20.811 -28.581 4.888 0.00 0.00 WAT1 ATOM 2949 H2 TIP3 302 20.698 -30.007 4.391 0.00 0.00 WAT1 ATOM 2950 OH2 TIP3 303 21.969 -27.265 7.032 0.00 0.00 WAT1 ATOM 2951 H1 TIP3 303 22.183 -28.035 7.559 0.00 0.00 WAT1 ATOM 2952 H2 TIP3 303 22.707 -27.176 6.429 0.00 0.00 WAT1 ATOM 2953 OH2 TIP3 304 26.196 -26.323 6.253 0.00 0.00 WAT1 ATOM 2954 H1 TIP3 304 25.866 -26.693 5.434 0.00 0.00 WAT1 ATOM 2955 H2 TIP3 304 26.784 -26.993 6.599 0.00 0.00 WAT1 ATOM 2956 OH2 TIP3 305 25.186 -27.253 3.842 0.00 0.00 WAT1 ATOM 2957 H1 TIP3 305 24.894 -26.485 3.351 0.00 0.00 WAT1 ATOM 2958 H2 TIP3 305 24.512 -27.913 3.679 0.00 0.00 WAT1 ATOM 2959 OH2 TIP3 306 21.030 -22.110 9.541 0.00 0.00 WAT1 ATOM 2960 H1 TIP3 306 21.976 -22.254 9.522 0.00 0.00 WAT1 ATOM 2961 H2 TIP3 306 20.917 -21.326 10.078 0.00 0.00 WAT1 ATOM 2962 OH2 TIP3 307 30.620 -18.098 3.905 0.00 0.00 WAT1 ATOM 2963 H1 TIP3 307 30.545 -18.219 2.959 0.00 0.00 WAT1 ATOM 2964 H2 TIP3 307 30.653 -17.148 4.024 0.00 0.00 WAT1 ATOM 2965 OH2 TIP3 308 33.722 -18.944 0.908 0.00 0.00 WAT1 ATOM 2966 H1 TIP3 308 34.097 -19.688 0.437 0.00 0.00 WAT1 ATOM 2967 H2 TIP3 308 33.726 -19.214 1.826 0.00 0.00 WAT1 ATOM 2968 OH2 TIP3 309 33.391 -19.018 3.657 0.00 0.00 WAT1 ATOM 2969 H1 TIP3 309 32.456 -18.918 3.836 0.00 0.00 WAT1 ATOM 2970 H2 TIP3 309 33.671 -19.727 4.235 0.00 0.00 WAT1 ATOM 2971 OH2 TIP3 310 34.899 -26.758 -0.315 0.00 0.00 WAT1 ATOM 2972 H1 TIP3 310 34.941 -26.981 -1.245 0.00 0.00 WAT1 ATOM 2973 H2 TIP3 310 35.748 -26.360 -0.125 0.00 0.00 WAT1 ATOM 2974 OH2 TIP3 311 24.432 -25.799 8.544 0.00 0.00 WAT1 ATOM 2975 H1 TIP3 311 25.177 -25.801 7.943 0.00 0.00 WAT1 ATOM 2976 H2 TIP3 311 24.510 -26.623 9.026 0.00 0.00 WAT1 ATOM 2977 OH2 TIP3 312 31.433 -23.635 1.800 0.00 0.00 WAT1 ATOM 2978 H1 TIP3 312 31.138 -22.809 2.182 0.00 0.00 WAT1 ATOM 2979 H2 TIP3 312 30.730 -24.255 1.996 0.00 0.00 WAT1 ATOM 2980 OH2 TIP3 313 37.104 -21.417 2.794 0.00 0.00 WAT1 ATOM 2981 H1 TIP3 313 36.731 -22.243 3.104 0.00 0.00 WAT1 ATOM 2982 H2 TIP3 313 37.381 -21.600 1.897 0.00 0.00 WAT1 ATOM 2983 OH2 TIP3 314 26.807 -22.281 5.949 0.00 0.00 WAT1 ATOM 2984 H1 TIP3 314 27.334 -21.508 5.748 0.00 0.00 WAT1 ATOM 2985 H2 TIP3 314 25.927 -22.056 5.647 0.00 0.00 WAT1 ATOM 2986 OH2 TIP3 315 22.562 -27.419 0.536 0.00 0.00 WAT1 ATOM 2987 H1 TIP3 315 23.178 -26.792 0.915 0.00 0.00 WAT1 ATOM 2988 H2 TIP3 315 21.700 -27.103 0.807 0.00 0.00 WAT1 ATOM 2989 OH2 TIP3 316 28.234 -24.618 5.525 0.00 0.00 WAT1 ATOM 2990 H1 TIP3 316 27.993 -23.693 5.567 0.00 0.00 WAT1 ATOM 2991 H2 TIP3 316 27.494 -25.077 5.921 0.00 0.00 WAT1 ATOM 2992 OH2 TIP3 317 26.918 -19.596 5.070 0.00 0.00 WAT1 ATOM 2993 H1 TIP3 317 25.968 -19.491 5.122 0.00 0.00 WAT1 ATOM 2994 H2 TIP3 317 27.269 -18.776 5.415 0.00 0.00 WAT1 ATOM 2995 OH2 TIP3 318 34.496 -23.441 0.615 0.00 0.00 WAT1 ATOM 2996 H1 TIP3 318 34.849 -23.821 1.419 0.00 0.00 WAT1 ATOM 2997 H2 TIP3 318 33.547 -23.534 0.701 0.00 0.00 WAT1 ATOM 2998 OH2 TIP3 319 39.000 -18.961 0.816 0.00 0.00 WAT1 ATOM 2999 H1 TIP3 319 39.743 -18.375 0.676 0.00 0.00 WAT1 ATOM 3000 H2 TIP3 319 38.305 -18.393 1.149 0.00 0.00 WAT1 ATOM 3001 OH2 TIP3 320 35.362 -24.768 2.841 0.00 0.00 WAT1 ATOM 3002 H1 TIP3 320 35.085 -25.496 3.397 0.00 0.00 WAT1 ATOM 3003 H2 TIP3 320 36.289 -24.649 3.047 0.00 0.00 WAT1 ATOM 3004 OH2 TIP3 321 22.725 -20.780 11.852 0.00 0.00 WAT1 ATOM 3005 H1 TIP3 321 22.942 -21.712 11.821 0.00 0.00 WAT1 ATOM 3006 H2 TIP3 321 22.972 -20.506 12.736 0.00 0.00 WAT1 ATOM 3007 OH2 TIP3 322 28.587 -22.329 -0.938 0.00 0.00 WAT1 ATOM 3008 H1 TIP3 322 28.826 -23.077 -1.486 0.00 0.00 WAT1 ATOM 3009 H2 TIP3 322 28.318 -22.717 -0.106 0.00 0.00 WAT1 ATOM 3010 OH2 TIP3 323 27.524 -22.759 1.518 0.00 0.00 WAT1 ATOM 3011 H1 TIP3 323 27.671 -23.279 2.308 0.00 0.00 WAT1 ATOM 3012 H2 TIP3 323 27.521 -21.852 1.824 0.00 0.00 WAT1 ATOM 3013 OH2 TIP3 324 23.977 -25.506 2.028 0.00 0.00 WAT1 ATOM 3014 H1 TIP3 324 23.291 -25.154 2.595 0.00 0.00 WAT1 ATOM 3015 H2 TIP3 324 24.500 -24.743 1.782 0.00 0.00 WAT1 ATOM 3016 OH2 TIP3 325 30.262 -21.061 2.267 0.00 0.00 WAT1 ATOM 3017 H1 TIP3 325 29.445 -20.564 2.320 0.00 0.00 WAT1 ATOM 3018 H2 TIP3 325 30.791 -20.586 1.627 0.00 0.00 WAT1 ATOM 3019 OH2 TIP3 326 27.600 -20.018 2.249 0.00 0.00 WAT1 ATOM 3020 H1 TIP3 326 27.761 -19.218 1.748 0.00 0.00 WAT1 ATOM 3021 H2 TIP3 326 27.403 -19.711 3.134 0.00 0.00 WAT1 ATOM 3022 OH2 TIP3 327 24.593 -22.892 0.925 0.00 0.00 WAT1 ATOM 3023 H1 TIP3 327 25.185 -22.193 1.201 0.00 0.00 WAT1 ATOM 3024 H2 TIP3 327 25.052 -23.325 0.206 0.00 0.00 WAT1 ATOM 3025 OH2 TIP3 328 30.625 -20.466 -0.800 0.00 0.00 WAT1 ATOM 3026 H1 TIP3 328 29.981 -21.097 -0.478 0.00 0.00 WAT1 ATOM 3027 H2 TIP3 328 31.387 -20.997 -1.032 0.00 0.00 WAT1 ATOM 3028 OH2 TIP3 329 26.184 -24.739 -0.709 0.00 0.00 WAT1 ATOM 3029 H1 TIP3 329 26.248 -25.533 -0.178 0.00 0.00 WAT1 ATOM 3030 H2 TIP3 329 26.837 -24.858 -1.398 0.00 0.00 WAT1 ATOM 3031 OH2 TIP3 330 31.536 -23.692 -0.973 0.00 0.00 WAT1 ATOM 3032 H1 TIP3 330 31.268 -23.512 -0.072 0.00 0.00 WAT1 ATOM 3033 H2 TIP3 330 31.330 -24.618 -1.104 0.00 0.00 WAT1 ATOM 3034 OH2 TIP3 331 28.302 -17.833 0.861 0.00 0.00 WAT1 ATOM 3035 H1 TIP3 331 29.235 -17.675 1.005 0.00 0.00 WAT1 ATOM 3036 H2 TIP3 331 28.038 -17.158 0.236 0.00 0.00 WAT1 ATOM 3037 OH2 TIP3 332 38.253 -25.300 3.280 0.00 0.00 WAT1 ATOM 3038 H1 TIP3 332 39.103 -24.879 3.408 0.00 0.00 WAT1 ATOM 3039 H2 TIP3 332 38.258 -26.040 3.888 0.00 0.00 WAT1 ATOM 3040 OH2 TIP3 333 38.915 -27.346 1.495 0.00 0.00 WAT1 ATOM 3041 H1 TIP3 333 38.394 -26.989 0.776 0.00 0.00 WAT1 ATOM 3042 H2 TIP3 333 38.882 -26.671 2.173 0.00 0.00 WAT1 ATOM 3043 OH2 TIP3 334 37.264 -30.106 0.046 0.00 0.00 WAT1 ATOM 3044 H1 TIP3 334 37.361 -29.439 -0.634 0.00 0.00 WAT1 ATOM 3045 H2 TIP3 334 37.124 -30.922 -0.436 0.00 0.00 WAT1 ATOM 3046 OH2 TIP3 335 21.469 -26.648 9.677 0.00 0.00 WAT1 ATOM 3047 H1 TIP3 335 21.653 -26.730 8.742 0.00 0.00 WAT1 ATOM 3048 H2 TIP3 335 22.318 -26.772 10.101 0.00 0.00 WAT1 ATOM 3049 OH2 TIP3 336 23.417 -17.664 12.627 0.00 0.00 WAT1 ATOM 3050 H1 TIP3 336 22.697 -17.224 12.176 0.00 0.00 WAT1 ATOM 3051 H2 TIP3 336 23.051 -17.915 13.476 0.00 0.00 WAT1 ATOM 3052 OH2 TIP3 337 25.884 -18.064 11.657 0.00 0.00 WAT1 ATOM 3053 H1 TIP3 337 25.019 -17.992 12.061 0.00 0.00 WAT1 ATOM 3054 H2 TIP3 337 25.829 -17.517 10.873 0.00 0.00 WAT1 ATOM 3055 OH2 TIP3 338 22.832 -19.041 9.538 0.00 0.00 WAT1 ATOM 3056 H1 TIP3 338 22.813 -19.466 10.395 0.00 0.00 WAT1 ATOM 3057 H2 TIP3 338 23.637 -19.359 9.129 0.00 0.00 WAT1 ATOM 3058 OH2 TIP3 339 24.973 -20.331 8.193 0.00 0.00 WAT1 ATOM 3059 H1 TIP3 339 24.754 -21.247 8.362 0.00 0.00 WAT1 ATOM 3060 H2 TIP3 339 25.797 -20.191 8.659 0.00 0.00 WAT1 ATOM 3061 OH2 TIP3 340 27.510 -19.861 9.041 0.00 0.00 WAT1 ATOM 3062 H1 TIP3 340 27.723 -20.749 8.754 0.00 0.00 WAT1 ATOM 3063 H2 TIP3 340 27.575 -19.895 9.996 0.00 0.00 WAT1 ATOM 3064 OH2 TIP3 341 30.947 -18.607 1.106 0.00 0.00 WAT1 ATOM 3065 H1 TIP3 341 31.813 -18.241 0.928 0.00 0.00 WAT1 ATOM 3066 H2 TIP3 341 30.700 -19.047 0.293 0.00 0.00 WAT1 ATOM 3067 OH2 TIP3 342 37.656 -19.044 3.786 0.00 0.00 WAT1 ATOM 3068 H1 TIP3 342 37.462 -19.792 3.221 0.00 0.00 WAT1 ATOM 3069 H2 TIP3 342 37.617 -18.286 3.202 0.00 0.00 WAT1 ATOM 3070 OH2 TIP3 343 31.357 -8.296 -47.183 0.00 0.00 WAT1 ATOM 3071 H1 TIP3 343 31.319 -8.942 -46.478 0.00 0.00 WAT1 ATOM 3072 H2 TIP3 343 31.034 -8.762 -47.954 0.00 0.00 WAT1 ATOM 3073 OH2 TIP3 344 35.063 -5.357 -48.881 0.00 0.00 WAT1 ATOM 3074 H1 TIP3 344 34.622 -6.077 -48.431 0.00 0.00 WAT1 ATOM 3075 H2 TIP3 344 35.050 -4.636 -48.251 0.00 0.00 WAT1 ATOM 3076 OH2 TIP3 345 38.409 -14.262 -45.916 0.00 0.00 WAT1 ATOM 3077 H1 TIP3 345 38.458 -13.652 -45.180 0.00 0.00 WAT1 ATOM 3078 H2 TIP3 345 38.835 -13.801 -46.639 0.00 0.00 WAT1 ATOM 3079 OH2 TIP3 346 32.887 -11.469 -46.449 0.00 0.00 WAT1 ATOM 3080 H1 TIP3 346 33.030 -12.416 -46.429 0.00 0.00 WAT1 ATOM 3081 H2 TIP3 346 32.781 -11.262 -47.378 0.00 0.00 WAT1 ATOM 3082 OH2 TIP3 347 35.528 -13.946 -48.795 0.00 0.00 WAT1 ATOM 3083 H1 TIP3 347 35.313 -14.712 -48.263 0.00 0.00 WAT1 ATOM 3084 H2 TIP3 347 36.184 -13.474 -48.282 0.00 0.00 WAT1 ATOM 3085 OH2 TIP3 348 35.575 -3.517 -46.533 0.00 0.00 WAT1 ATOM 3086 H1 TIP3 348 34.633 -3.459 -46.372 0.00 0.00 WAT1 ATOM 3087 H2 TIP3 348 35.851 -2.611 -46.670 0.00 0.00 WAT1 ATOM 3088 OH2 TIP3 349 35.875 -15.231 -45.116 0.00 0.00 WAT1 ATOM 3089 H1 TIP3 349 35.139 -14.620 -45.154 0.00 0.00 WAT1 ATOM 3090 H2 TIP3 349 36.559 -14.816 -45.642 0.00 0.00 WAT1 ATOM 3091 OH2 TIP3 350 34.551 -8.097 -52.198 0.00 0.00 WAT1 ATOM 3092 H1 TIP3 350 33.819 -7.869 -51.625 0.00 0.00 WAT1 ATOM 3093 H2 TIP3 350 34.998 -8.811 -51.743 0.00 0.00 WAT1 ATOM 3094 OH2 TIP3 351 32.872 -3.195 -45.948 0.00 0.00 WAT1 ATOM 3095 H1 TIP3 351 32.631 -2.533 -45.300 0.00 0.00 WAT1 ATOM 3096 H2 TIP3 351 32.674 -4.029 -45.523 0.00 0.00 WAT1 ATOM 3097 OH2 TIP3 352 30.206 -3.014 -42.469 0.00 0.00 WAT1 ATOM 3098 H1 TIP3 352 30.293 -2.188 -41.994 0.00 0.00 WAT1 ATOM 3099 H2 TIP3 352 29.342 -3.344 -42.220 0.00 0.00 WAT1 ATOM 3100 OH2 TIP3 353 34.136 -12.763 -42.644 0.00 0.00 WAT1 ATOM 3101 H1 TIP3 353 33.622 -12.889 -41.847 0.00 0.00 WAT1 ATOM 3102 H2 TIP3 353 33.981 -11.851 -42.889 0.00 0.00 WAT1 ATOM 3103 OH2 TIP3 354 30.873 -10.463 -40.560 0.00 0.00 WAT1 ATOM 3104 H1 TIP3 354 30.310 -11.167 -40.240 0.00 0.00 WAT1 ATOM 3105 H2 TIP3 354 31.699 -10.583 -40.093 0.00 0.00 WAT1 ATOM 3106 OH2 TIP3 355 32.775 -11.192 -49.234 0.00 0.00 WAT1 ATOM 3107 H1 TIP3 355 32.580 -10.587 -49.949 0.00 0.00 WAT1 ATOM 3108 H2 TIP3 355 32.957 -12.026 -49.669 0.00 0.00 WAT1 ATOM 3109 OH2 TIP3 356 32.039 -9.554 -44.563 0.00 0.00 WAT1 ATOM 3110 H1 TIP3 356 32.363 -10.185 -45.206 0.00 0.00 WAT1 ATOM 3111 H2 TIP3 356 31.599 -10.089 -43.902 0.00 0.00 WAT1 ATOM 3112 OH2 TIP3 357 33.222 -14.392 -46.515 0.00 0.00 WAT1 ATOM 3113 H1 TIP3 357 32.545 -14.261 -45.851 0.00 0.00 WAT1 ATOM 3114 H2 TIP3 357 32.736 -14.547 -47.325 0.00 0.00 WAT1 ATOM 3115 OH2 TIP3 358 36.509 1.280 -40.238 0.00 0.00 WAT1 ATOM 3116 H1 TIP3 358 36.709 1.704 -41.073 0.00 0.00 WAT1 ATOM 3117 H2 TIP3 358 37.165 1.623 -39.631 0.00 0.00 WAT1 ATOM 3118 OH2 TIP3 359 30.827 -6.054 -42.556 0.00 0.00 WAT1 ATOM 3119 H1 TIP3 359 30.481 -6.435 -41.750 0.00 0.00 WAT1 ATOM 3120 H2 TIP3 359 30.627 -5.120 -42.485 0.00 0.00 WAT1 ATOM 3121 OH2 TIP3 360 28.457 -8.965 -40.496 0.00 0.00 WAT1 ATOM 3122 H1 TIP3 360 28.161 -9.131 -41.391 0.00 0.00 WAT1 ATOM 3123 H2 TIP3 360 29.388 -9.185 -40.506 0.00 0.00 WAT1 ATOM 3124 OH2 TIP3 361 33.077 -3.592 -42.606 0.00 0.00 WAT1 ATOM 3125 H1 TIP3 361 32.176 -3.409 -42.874 0.00 0.00 WAT1 ATOM 3126 H2 TIP3 361 33.111 -3.333 -41.685 0.00 0.00 WAT1 ATOM 3127 OH2 TIP3 362 38.808 -11.347 -54.239 0.00 0.00 WAT1 ATOM 3128 H1 TIP3 362 38.254 -11.743 -54.911 0.00 0.00 WAT1 ATOM 3129 H2 TIP3 362 38.909 -10.437 -54.516 0.00 0.00 WAT1 ATOM 3130 OH2 TIP3 363 34.264 -7.753 -46.752 0.00 0.00 WAT1 ATOM 3131 H1 TIP3 363 33.336 -7.985 -46.779 0.00 0.00 WAT1 ATOM 3132 H2 TIP3 363 34.715 -8.530 -47.082 0.00 0.00 WAT1 ATOM 3133 OH2 TIP3 364 32.293 -5.514 -45.027 0.00 0.00 WAT1 ATOM 3134 H1 TIP3 364 31.867 -5.741 -44.201 0.00 0.00 WAT1 ATOM 3135 H2 TIP3 364 32.874 -6.252 -45.210 0.00 0.00 WAT1 ATOM 3136 OH2 TIP3 365 34.952 -0.962 -42.558 0.00 0.00 WAT1 ATOM 3137 H1 TIP3 365 34.350 -1.517 -43.053 0.00 0.00 WAT1 ATOM 3138 H2 TIP3 365 35.233 -0.295 -43.184 0.00 0.00 WAT1 ATOM 3139 OH2 TIP3 366 30.329 -11.622 -43.144 0.00 0.00 WAT1 ATOM 3140 H1 TIP3 366 30.448 -11.048 -42.387 0.00 0.00 WAT1 ATOM 3141 H2 TIP3 366 30.984 -12.310 -43.029 0.00 0.00 WAT1 ATOM 3142 OH2 TIP3 367 36.533 -13.715 -42.309 0.00 0.00 WAT1 ATOM 3143 H1 TIP3 367 35.617 -13.452 -42.397 0.00 0.00 WAT1 ATOM 3144 H2 TIP3 367 36.869 -13.718 -43.206 0.00 0.00 WAT1 ATOM 3145 OH2 TIP3 368 35.135 -9.964 -48.213 0.00 0.00 WAT1 ATOM 3146 H1 TIP3 368 34.338 -10.379 -48.542 0.00 0.00 WAT1 ATOM 3147 H2 TIP3 368 35.580 -10.655 -47.722 0.00 0.00 WAT1 ATOM 3148 OH2 TIP3 369 36.222 -0.708 -46.591 0.00 0.00 WAT1 ATOM 3149 H1 TIP3 369 36.066 -0.030 -47.248 0.00 0.00 WAT1 ATOM 3150 H2 TIP3 369 37.154 -0.636 -46.388 0.00 0.00 WAT1 ATOM 3151 OH2 TIP3 370 28.498 -6.257 -39.976 0.00 0.00 WAT1 ATOM 3152 H1 TIP3 370 28.170 -5.986 -40.834 0.00 0.00 WAT1 ATOM 3153 H2 TIP3 370 28.650 -7.198 -40.064 0.00 0.00 WAT1 ATOM 3154 OH2 TIP3 371 28.956 -8.854 -43.800 0.00 0.00 WAT1 ATOM 3155 H1 TIP3 371 29.707 -9.010 -44.373 0.00 0.00 WAT1 ATOM 3156 H2 TIP3 371 28.617 -8.002 -44.076 0.00 0.00 WAT1 ATOM 3157 OH2 TIP3 372 29.444 -12.515 -40.045 0.00 0.00 WAT1 ATOM 3158 H1 TIP3 372 29.208 -12.735 -39.143 0.00 0.00 WAT1 ATOM 3159 H2 TIP3 372 28.661 -12.722 -40.554 0.00 0.00 WAT1 ATOM 3160 OH2 TIP3 373 32.160 -13.388 -40.969 0.00 0.00 WAT1 ATOM 3161 H1 TIP3 373 31.212 -13.356 -40.837 0.00 0.00 WAT1 ATOM 3162 H2 TIP3 373 32.472 -14.013 -40.315 0.00 0.00 WAT1 ATOM 3163 OH2 TIP3 374 33.794 -14.754 -38.964 0.00 0.00 WAT1 ATOM 3164 H1 TIP3 374 33.697 -15.706 -38.970 0.00 0.00 WAT1 ATOM 3165 H2 TIP3 374 33.472 -14.485 -38.103 0.00 0.00 WAT1 ATOM 3166 OH2 TIP3 375 38.938 -0.058 -46.362 0.00 0.00 WAT1 ATOM 3167 H1 TIP3 375 38.916 0.127 -45.423 0.00 0.00 WAT1 ATOM 3168 H2 TIP3 375 39.628 0.511 -46.703 0.00 0.00 WAT1 ATOM 3169 OH2 TIP3 376 38.501 -0.491 -43.440 0.00 0.00 WAT1 ATOM 3170 H1 TIP3 376 38.014 -1.226 -43.811 0.00 0.00 WAT1 ATOM 3171 H2 TIP3 376 39.050 -0.884 -42.762 0.00 0.00 WAT1 ATOM 3172 OH2 TIP3 377 38.253 -6.444 -53.288 0.00 0.00 WAT1 ATOM 3173 H1 TIP3 377 39.103 -6.023 -53.160 0.00 0.00 WAT1 ATOM 3174 H2 TIP3 377 38.258 -7.184 -52.680 0.00 0.00 WAT1 ATOM 3175 OH2 TIP3 378 38.647 -8.391 -51.464 0.00 0.00 WAT1 ATOM 3176 H1 TIP3 378 37.921 -8.870 -51.066 0.00 0.00 WAT1 ATOM 3177 H2 TIP3 378 39.228 -8.185 -50.732 0.00 0.00 WAT1 ATOM 3178 OH2 TIP3 379 36.893 -2.728 -44.209 0.00 0.00 WAT1 ATOM 3179 H1 TIP3 379 36.245 -2.403 -43.584 0.00 0.00 WAT1 ATOM 3180 H2 TIP3 379 36.375 -3.168 -44.884 0.00 0.00 WAT1 ATOM 3181 OH2 TIP3 380 36.434 -9.870 -50.901 0.00 0.00 WAT1 ATOM 3182 H1 TIP3 380 36.284 -10.815 -50.921 0.00 0.00 WAT1 ATOM 3183 H2 TIP3 380 36.080 -9.589 -50.057 0.00 0.00 WAT1 ATOM 3184 OH2 TIP3 381 36.144 -12.287 -52.439 0.00 0.00 WAT1 ATOM 3185 H1 TIP3 381 36.424 -13.194 -52.314 0.00 0.00 WAT1 ATOM 3186 H2 TIP3 381 36.903 -11.853 -52.828 0.00 0.00 WAT1 ATOM 3187 OH2 TIP3 382 39.068 -16.989 -38.873 0.00 0.00 WAT1 ATOM 3188 H1 TIP3 382 39.418 -17.643 -39.479 0.00 0.00 WAT1 ATOM 3189 H2 TIP3 382 39.215 -16.152 -39.313 0.00 0.00 WAT1 ATOM 3190 OH2 TIP3 383 38.588 -14.880 -40.524 0.00 0.00 WAT1 ATOM 3191 H1 TIP3 383 37.671 -14.609 -40.560 0.00 0.00 WAT1 ATOM 3192 H2 TIP3 383 38.711 -15.415 -41.308 0.00 0.00 WAT1 ATOM 3193 OH2 TIP3 384 30.326 -0.665 -41.029 0.00 0.00 WAT1 ATOM 3194 H1 TIP3 384 30.511 -0.999 -40.151 0.00 0.00 WAT1 ATOM 3195 H2 TIP3 384 31.173 -0.356 -41.351 0.00 0.00 WAT1 ATOM 3196 OH2 TIP3 385 32.671 0.620 -41.785 0.00 0.00 WAT1 ATOM 3197 H1 TIP3 385 33.348 -0.012 -42.025 0.00 0.00 WAT1 ATOM 3198 H2 TIP3 385 32.993 1.022 -40.977 0.00 0.00 WAT1 ATOM 3199 OH2 TIP3 386 37.589 -16.790 -42.705 0.00 0.00 WAT1 ATOM 3200 H1 TIP3 386 36.776 -16.465 -43.093 0.00 0.00 WAT1 ATOM 3201 H2 TIP3 386 37.822 -17.550 -43.238 0.00 0.00 WAT1 ATOM 3202 OH2 TIP3 387 32.922 -0.442 -44.790 0.00 0.00 WAT1 ATOM 3203 H1 TIP3 387 32.018 -0.277 -45.056 0.00 0.00 WAT1 ATOM 3204 H2 TIP3 387 33.351 0.411 -44.856 0.00 0.00 WAT1 ATOM 3205 OH2 TIP3 388 35.527 1.128 -44.495 0.00 0.00 WAT1 ATOM 3206 H1 TIP3 388 35.345 2.044 -44.706 0.00 0.00 WAT1 ATOM 3207 H2 TIP3 388 35.703 0.718 -45.342 0.00 0.00 WAT1 ATOM 3208 OH2 TIP3 389 37.888 -16.095 -49.936 0.00 0.00 WAT1 ATOM 3209 H1 TIP3 389 38.500 -16.609 -50.463 0.00 0.00 WAT1 ATOM 3210 H2 TIP3 389 38.271 -15.217 -49.913 0.00 0.00 WAT1 ATOM 3211 OH2 TIP3 390 33.698 -17.510 -39.325 0.00 0.00 WAT1 ATOM 3212 H1 TIP3 390 33.774 -17.936 -38.471 0.00 0.00 WAT1 ATOM 3213 H2 TIP3 390 34.591 -17.496 -39.667 0.00 0.00 WAT1 ATOM 3214 OH2 TIP3 391 31.357 -8.296 -28.327 0.00 0.00 WAT1 ATOM 3215 H1 TIP3 391 31.319 -8.942 -27.622 0.00 0.00 WAT1 ATOM 3216 H2 TIP3 391 31.034 -8.762 -29.098 0.00 0.00 WAT1 ATOM 3217 OH2 TIP3 392 29.746 -5.863 -27.921 0.00 0.00 WAT1 ATOM 3218 H1 TIP3 392 30.050 -6.549 -28.515 0.00 0.00 WAT1 ATOM 3219 H2 TIP3 392 30.468 -5.745 -27.303 0.00 0.00 WAT1 ATOM 3220 OH2 TIP3 393 32.887 -11.469 -27.593 0.00 0.00 WAT1 ATOM 3221 H1 TIP3 393 33.030 -12.416 -27.573 0.00 0.00 WAT1 ATOM 3222 H2 TIP3 393 32.781 -11.262 -28.522 0.00 0.00 WAT1 ATOM 3223 OH2 TIP3 394 27.818 -9.421 -30.343 0.00 0.00 WAT1 ATOM 3224 H1 TIP3 394 28.434 -9.947 -29.834 0.00 0.00 WAT1 ATOM 3225 H2 TIP3 394 27.232 -10.061 -30.747 0.00 0.00 WAT1 ATOM 3226 OH2 TIP3 395 31.145 -8.307 -34.294 0.00 0.00 WAT1 ATOM 3227 H1 TIP3 395 30.433 -7.772 -34.645 0.00 0.00 WAT1 ATOM 3228 H2 TIP3 395 31.836 -8.251 -34.954 0.00 0.00 WAT1 ATOM 3229 OH2 TIP3 396 34.448 -9.923 -24.274 0.00 0.00 WAT1 ATOM 3230 H1 TIP3 396 34.528 -9.160 -23.702 0.00 0.00 WAT1 ATOM 3231 H2 TIP3 396 33.847 -9.644 -24.965 0.00 0.00 WAT1 ATOM 3232 OH2 TIP3 397 26.196 -7.467 -31.459 0.00 0.00 WAT1 ATOM 3233 H1 TIP3 397 25.866 -7.837 -32.278 0.00 0.00 WAT1 ATOM 3234 H2 TIP3 397 26.784 -8.137 -31.113 0.00 0.00 WAT1 ATOM 3235 OH2 TIP3 398 27.563 -4.039 -28.778 0.00 0.00 WAT1 ATOM 3236 H1 TIP3 398 27.468 -4.617 -29.535 0.00 0.00 WAT1 ATOM 3237 H2 TIP3 398 28.292 -4.410 -28.282 0.00 0.00 WAT1 ATOM 3238 OH2 TIP3 399 24.363 -8.101 -23.880 0.00 0.00 WAT1 ATOM 3239 H1 TIP3 399 24.433 -7.450 -23.182 0.00 0.00 WAT1 ATOM 3240 H2 TIP3 399 23.472 -7.998 -24.215 0.00 0.00 WAT1 ATOM 3241 OH2 TIP3 400 37.120 -17.185 -35.844 0.00 0.00 WAT1 ATOM 3242 H1 TIP3 400 36.221 -17.046 -35.549 0.00 0.00 WAT1 ATOM 3243 H2 TIP3 400 37.372 -16.354 -36.246 0.00 0.00 WAT1 ATOM 3244 OH2 TIP3 401 30.206 -3.014 -23.613 0.00 0.00 WAT1 ATOM 3245 H1 TIP3 401 30.293 -2.188 -23.138 0.00 0.00 WAT1 ATOM 3246 H2 TIP3 401 29.342 -3.344 -23.364 0.00 0.00 WAT1 ATOM 3247 OH2 TIP3 402 30.620 0.758 -33.807 0.00 0.00 WAT1 ATOM 3248 H1 TIP3 402 30.545 0.637 -34.753 0.00 0.00 WAT1 ATOM 3249 H2 TIP3 402 30.653 1.708 -33.688 0.00 0.00 WAT1 ATOM 3250 OH2 TIP3 403 33.722 -0.088 -36.804 0.00 0.00 WAT1 ATOM 3251 H1 TIP3 403 34.097 -0.832 -37.275 0.00 0.00 WAT1 ATOM 3252 H2 TIP3 403 33.726 -0.358 -35.886 0.00 0.00 WAT1 ATOM 3253 OH2 TIP3 404 33.391 -0.162 -34.055 0.00 0.00 WAT1 ATOM 3254 H1 TIP3 404 32.456 -0.062 -33.876 0.00 0.00 WAT1 ATOM 3255 H2 TIP3 404 33.671 -0.871 -33.477 0.00 0.00 WAT1 ATOM 3256 OH2 TIP3 405 36.379 -11.095 -22.009 0.00 0.00 WAT1 ATOM 3257 H1 TIP3 405 35.972 -10.614 -22.729 0.00 0.00 WAT1 ATOM 3258 H2 TIP3 405 36.420 -12.000 -22.316 0.00 0.00 WAT1 ATOM 3259 OH2 TIP3 406 34.136 -12.763 -23.788 0.00 0.00 WAT1 ATOM 3260 H1 TIP3 406 33.622 -12.889 -22.991 0.00 0.00 WAT1 ATOM 3261 H2 TIP3 406 33.981 -11.851 -24.033 0.00 0.00 WAT1 ATOM 3262 OH2 TIP3 407 30.472 -14.026 -37.357 0.00 0.00 WAT1 ATOM 3263 H1 TIP3 407 30.218 -14.007 -36.434 0.00 0.00 WAT1 ATOM 3264 H2 TIP3 407 30.215 -14.898 -37.658 0.00 0.00 WAT1 ATOM 3265 OH2 TIP3 408 31.771 -10.638 -33.192 0.00 0.00 WAT1 ATOM 3266 H1 TIP3 408 31.362 -9.823 -33.484 0.00 0.00 WAT1 ATOM 3267 H2 TIP3 408 32.491 -10.778 -33.807 0.00 0.00 WAT1 ATOM 3268 OH2 TIP3 409 30.873 -10.463 -21.704 0.00 0.00 WAT1 ATOM 3269 H1 TIP3 409 30.310 -11.167 -21.384 0.00 0.00 WAT1 ATOM 3270 H2 TIP3 409 31.699 -10.583 -21.237 0.00 0.00 WAT1 ATOM 3271 OH2 TIP3 410 32.775 -11.192 -30.378 0.00 0.00 WAT1 ATOM 3272 H1 TIP3 410 32.580 -10.587 -31.093 0.00 0.00 WAT1 ATOM 3273 H2 TIP3 410 32.957 -12.026 -30.813 0.00 0.00 WAT1 ATOM 3274 OH2 TIP3 411 23.988 -10.955 -25.054 0.00 0.00 WAT1 ATOM 3275 H1 TIP3 411 23.950 -10.555 -24.186 0.00 0.00 WAT1 ATOM 3276 H2 TIP3 411 23.497 -11.772 -24.964 0.00 0.00 WAT1 ATOM 3277 OH2 TIP3 412 32.039 -9.554 -25.707 0.00 0.00 WAT1 ATOM 3278 H1 TIP3 412 32.363 -10.185 -26.350 0.00 0.00 WAT1 ATOM 3279 H2 TIP3 412 31.599 -10.089 -25.046 0.00 0.00 WAT1 ATOM 3280 OH2 TIP3 413 33.222 -14.392 -27.659 0.00 0.00 WAT1 ATOM 3281 H1 TIP3 413 32.545 -14.261 -26.995 0.00 0.00 WAT1 ATOM 3282 H2 TIP3 413 32.736 -14.547 -28.469 0.00 0.00 WAT1 ATOM 3283 OH2 TIP3 414 24.107 -6.246 -21.774 0.00 0.00 WAT1 ATOM 3284 H1 TIP3 414 24.840 -5.992 -21.213 0.00 0.00 WAT1 ATOM 3285 H2 TIP3 414 23.327 -6.042 -21.259 0.00 0.00 WAT1 ATOM 3286 OH2 TIP3 415 30.137 -10.839 -29.036 0.00 0.00 WAT1 ATOM 3287 H1 TIP3 415 30.701 -11.386 -29.583 0.00 0.00 WAT1 ATOM 3288 H2 TIP3 415 29.989 -11.361 -28.247 0.00 0.00 WAT1 ATOM 3289 OH2 TIP3 416 29.307 -6.238 -34.937 0.00 0.00 WAT1 ATOM 3290 H1 TIP3 416 28.563 -6.745 -35.260 0.00 0.00 WAT1 ATOM 3291 H2 TIP3 416 29.173 -6.189 -33.991 0.00 0.00 WAT1 ATOM 3292 OH2 TIP3 417 33.205 -13.424 -36.738 0.00 0.00 WAT1 ATOM 3293 H1 TIP3 417 32.267 -13.312 -36.889 0.00 0.00 WAT1 ATOM 3294 H2 TIP3 417 33.502 -12.567 -36.432 0.00 0.00 WAT1 ATOM 3295 OH2 TIP3 418 30.827 -6.054 -23.700 0.00 0.00 WAT1 ATOM 3296 H1 TIP3 418 30.481 -6.435 -22.894 0.00 0.00 WAT1 ATOM 3297 H2 TIP3 418 30.627 -5.120 -23.629 0.00 0.00 WAT1 ATOM 3298 OH2 TIP3 419 31.433 -4.779 -35.912 0.00 0.00 WAT1 ATOM 3299 H1 TIP3 419 31.138 -3.953 -35.530 0.00 0.00 WAT1 ATOM 3300 H2 TIP3 419 30.730 -5.399 -35.716 0.00 0.00 WAT1 ATOM 3301 OH2 TIP3 420 21.440 -8.482 -23.853 0.00 0.00 WAT1 ATOM 3302 H1 TIP3 420 21.663 -8.900 -23.021 0.00 0.00 WAT1 ATOM 3303 H2 TIP3 420 20.838 -9.095 -24.275 0.00 0.00 WAT1 ATOM 3304 OH2 TIP3 421 28.457 -8.965 -21.640 0.00 0.00 WAT1 ATOM 3305 H1 TIP3 421 28.161 -9.131 -22.535 0.00 0.00 WAT1 ATOM 3306 H2 TIP3 421 29.388 -9.185 -21.650 0.00 0.00 WAT1 ATOM 3307 OH2 TIP3 422 26.807 -3.425 -31.763 0.00 0.00 WAT1 ATOM 3308 H1 TIP3 422 27.334 -2.652 -31.964 0.00 0.00 WAT1 ATOM 3309 H2 TIP3 422 25.927 -3.200 -32.065 0.00 0.00 WAT1 ATOM 3310 OH2 TIP3 423 28.234 -5.762 -32.187 0.00 0.00 WAT1 ATOM 3311 H1 TIP3 423 27.993 -4.837 -32.145 0.00 0.00 WAT1 ATOM 3312 H2 TIP3 423 27.494 -6.221 -31.791 0.00 0.00 WAT1 ATOM 3313 OH2 TIP3 424 28.749 -1.613 -25.872 0.00 0.00 WAT1 ATOM 3314 H1 TIP3 424 29.112 -0.758 -26.105 0.00 0.00 WAT1 ATOM 3315 H2 TIP3 424 29.281 -1.905 -25.131 0.00 0.00 WAT1 ATOM 3316 OH2 TIP3 425 23.074 -13.729 -24.295 0.00 0.00 WAT1 ATOM 3317 H1 TIP3 425 22.181 -13.390 -24.362 0.00 0.00 WAT1 ATOM 3318 H2 TIP3 425 22.975 -14.584 -23.877 0.00 0.00 WAT1 ATOM 3319 OH2 TIP3 426 28.587 -3.473 -38.650 0.00 0.00 WAT1 ATOM 3320 H1 TIP3 426 28.826 -4.221 -39.198 0.00 0.00 WAT1 ATOM 3321 H2 TIP3 426 28.318 -3.861 -37.818 0.00 0.00 WAT1 ATOM 3322 OH2 TIP3 427 31.809 -13.988 -25.405 0.00 0.00 WAT1 ATOM 3323 H1 TIP3 427 32.507 -13.914 -24.755 0.00 0.00 WAT1 ATOM 3324 H2 TIP3 427 31.428 -14.852 -25.250 0.00 0.00 WAT1 ATOM 3325 OH2 TIP3 428 32.593 -14.336 -34.308 0.00 0.00 WAT1 ATOM 3326 H1 TIP3 428 32.813 -13.864 -35.111 0.00 0.00 WAT1 ATOM 3327 H2 TIP3 428 33.151 -13.941 -33.637 0.00 0.00 WAT1 ATOM 3328 OH2 TIP3 429 30.262 -2.205 -35.445 0.00 0.00 WAT1 ATOM 3329 H1 TIP3 429 29.445 -1.708 -35.392 0.00 0.00 WAT1 ATOM 3330 H2 TIP3 429 30.791 -1.730 -36.085 0.00 0.00 WAT1 ATOM 3331 OH2 TIP3 430 29.793 -12.608 -33.473 0.00 0.00 WAT1 ATOM 3332 H1 TIP3 430 30.605 -12.104 -33.427 0.00 0.00 WAT1 ATOM 3333 H2 TIP3 430 29.548 -12.753 -32.559 0.00 0.00 WAT1 ATOM 3334 OH2 TIP3 431 30.677 -15.527 -32.535 0.00 0.00 WAT1 ATOM 3335 H1 TIP3 431 30.330 -14.909 -31.890 0.00 0.00 WAT1 ATOM 3336 H2 TIP3 431 31.335 -15.026 -33.016 0.00 0.00 WAT1 ATOM 3337 OH2 TIP3 432 36.533 -13.715 -23.453 0.00 0.00 WAT1 ATOM 3338 H1 TIP3 432 35.617 -13.452 -23.541 0.00 0.00 WAT1 ATOM 3339 H2 TIP3 432 36.869 -13.718 -24.350 0.00 0.00 WAT1 ATOM 3340 OH2 TIP3 433 30.625 -1.610 -38.512 0.00 0.00 WAT1 ATOM 3341 H1 TIP3 433 29.981 -2.241 -38.190 0.00 0.00 WAT1 ATOM 3342 H2 TIP3 433 31.387 -2.141 -38.744 0.00 0.00 WAT1 ATOM 3343 OH2 TIP3 434 33.110 -2.738 -21.158 0.00 0.00 WAT1 ATOM 3344 H1 TIP3 434 32.759 -3.594 -20.915 0.00 0.00 WAT1 ATOM 3345 H2 TIP3 434 33.836 -2.595 -20.551 0.00 0.00 WAT1 ATOM 3346 OH2 TIP3 435 21.843 -6.227 -20.553 0.00 0.00 WAT1 ATOM 3347 H1 TIP3 435 21.987 -7.129 -20.839 0.00 0.00 WAT1 ATOM 3348 H2 TIP3 435 21.070 -5.941 -21.041 0.00 0.00 WAT1 ATOM 3349 OH2 TIP3 436 28.498 -6.257 -21.120 0.00 0.00 WAT1 ATOM 3350 H1 TIP3 436 28.170 -5.986 -21.978 0.00 0.00 WAT1 ATOM 3351 H2 TIP3 436 28.650 -7.198 -21.208 0.00 0.00 WAT1 ATOM 3352 OH2 TIP3 437 31.536 -4.836 -38.685 0.00 0.00 WAT1 ATOM 3353 H1 TIP3 437 31.268 -4.656 -37.784 0.00 0.00 WAT1 ATOM 3354 H2 TIP3 437 31.330 -5.762 -38.816 0.00 0.00 WAT1 ATOM 3355 OH2 TIP3 438 22.675 -9.027 -21.133 0.00 0.00 WAT1 ATOM 3356 H1 TIP3 438 23.083 -9.884 -21.254 0.00 0.00 WAT1 ATOM 3357 H2 TIP3 438 22.415 -9.012 -20.212 0.00 0.00 WAT1 ATOM 3358 OH2 TIP3 439 27.333 -7.911 -36.115 0.00 0.00 WAT1 ATOM 3359 H1 TIP3 439 26.874 -8.395 -35.429 0.00 0.00 WAT1 ATOM 3360 H2 TIP3 439 27.588 -8.579 -36.751 0.00 0.00 WAT1 ATOM 3361 OH2 TIP3 440 26.622 -10.018 -23.759 0.00 0.00 WAT1 ATOM 3362 H1 TIP3 440 26.004 -9.343 -23.478 0.00 0.00 WAT1 ATOM 3363 H2 TIP3 440 26.966 -9.697 -24.592 0.00 0.00 WAT1 ATOM 3364 OH2 TIP3 441 28.404 -9.668 -37.852 0.00 0.00 WAT1 ATOM 3365 H1 TIP3 441 28.224 -9.822 -38.780 0.00 0.00 WAT1 ATOM 3366 H2 TIP3 441 29.355 -9.560 -37.808 0.00 0.00 WAT1 ATOM 3367 OH2 TIP3 442 31.642 -7.547 -20.481 0.00 0.00 WAT1 ATOM 3368 H1 TIP3 442 32.595 -7.463 -20.509 0.00 0.00 WAT1 ATOM 3369 H2 TIP3 442 31.482 -8.258 -19.862 0.00 0.00 WAT1 ATOM 3370 OH2 TIP3 443 26.962 -12.663 -22.676 0.00 0.00 WAT1 ATOM 3371 H1 TIP3 443 27.112 -13.392 -23.279 0.00 0.00 WAT1 ATOM 3372 H2 TIP3 443 26.964 -11.886 -23.235 0.00 0.00 WAT1 ATOM 3373 OH2 TIP3 444 28.956 -8.854 -24.944 0.00 0.00 WAT1 ATOM 3374 H1 TIP3 444 29.707 -9.010 -25.517 0.00 0.00 WAT1 ATOM 3375 H2 TIP3 444 28.617 -8.002 -25.220 0.00 0.00 WAT1 ATOM 3376 OH2 TIP3 445 33.372 -11.039 -19.916 0.00 0.00 WAT1 ATOM 3377 H1 TIP3 445 33.564 -11.970 -20.027 0.00 0.00 WAT1 ATOM 3378 H2 TIP3 445 34.229 -10.614 -19.926 0.00 0.00 WAT1 ATOM 3379 OH2 TIP3 446 34.688 -8.250 -21.838 0.00 0.00 WAT1 ATOM 3380 H1 TIP3 446 34.407 -7.541 -22.416 0.00 0.00 WAT1 ATOM 3381 H2 TIP3 446 35.631 -8.323 -21.989 0.00 0.00 WAT1 ATOM 3382 OH2 TIP3 447 29.444 -12.515 -21.189 0.00 0.00 WAT1 ATOM 3383 H1 TIP3 447 29.208 -12.735 -20.287 0.00 0.00 WAT1 ATOM 3384 H2 TIP3 447 28.661 -12.722 -21.698 0.00 0.00 WAT1 ATOM 3385 OH2 TIP3 448 32.160 -13.388 -22.113 0.00 0.00 WAT1 ATOM 3386 H1 TIP3 448 31.212 -13.356 -21.981 0.00 0.00 WAT1 ATOM 3387 H2 TIP3 448 32.472 -14.013 -21.459 0.00 0.00 WAT1 ATOM 3388 OH2 TIP3 449 33.794 -14.754 -20.108 0.00 0.00 WAT1 ATOM 3389 H1 TIP3 449 33.697 -15.706 -20.114 0.00 0.00 WAT1 ATOM 3390 H2 TIP3 449 33.472 -14.485 -19.247 0.00 0.00 WAT1 ATOM 3391 OH2 TIP3 450 23.621 -13.544 -21.060 0.00 0.00 WAT1 ATOM 3392 H1 TIP3 450 23.832 -14.251 -21.671 0.00 0.00 WAT1 ATOM 3393 H2 TIP3 450 23.509 -13.982 -20.216 0.00 0.00 WAT1 ATOM 3394 OH2 TIP3 451 28.402 -17.543 -22.081 0.00 0.00 WAT1 ATOM 3395 H1 TIP3 451 29.114 -18.183 -22.095 0.00 0.00 WAT1 ATOM 3396 H2 TIP3 451 28.301 -17.276 -22.995 0.00 0.00 WAT1 ATOM 3397 OH2 TIP3 452 28.755 -15.860 -20.027 0.00 0.00 WAT1 ATOM 3398 H1 TIP3 452 28.624 -16.336 -20.848 0.00 0.00 WAT1 ATOM 3399 H2 TIP3 452 28.156 -15.116 -20.083 0.00 0.00 WAT1 ATOM 3400 OH2 TIP3 453 21.067 -12.521 -21.894 0.00 0.00 WAT1 ATOM 3401 H1 TIP3 453 21.986 -12.643 -21.658 0.00 0.00 WAT1 ATOM 3402 H2 TIP3 453 20.617 -13.271 -21.505 0.00 0.00 WAT1 ATOM 3403 OH2 TIP3 454 38.624 -14.957 -37.006 0.00 0.00 WAT1 ATOM 3404 H1 TIP3 454 39.037 -15.678 -37.482 0.00 0.00 WAT1 ATOM 3405 H2 TIP3 454 39.306 -14.287 -36.948 0.00 0.00 WAT1 ATOM 3406 OH2 TIP3 455 30.326 -0.665 -22.173 0.00 0.00 WAT1 ATOM 3407 H1 TIP3 455 30.511 -0.999 -21.295 0.00 0.00 WAT1 ATOM 3408 H2 TIP3 455 31.173 -0.356 -22.495 0.00 0.00 WAT1 ATOM 3409 OH2 TIP3 456 37.589 -16.790 -23.849 0.00 0.00 WAT1 ATOM 3410 H1 TIP3 456 36.776 -16.465 -24.237 0.00 0.00 WAT1 ATOM 3411 H2 TIP3 456 37.822 -17.550 -24.382 0.00 0.00 WAT1 ATOM 3412 OH2 TIP3 457 30.595 0.680 -26.879 0.00 0.00 WAT1 ATOM 3413 H1 TIP3 457 30.138 1.209 -27.533 0.00 0.00 WAT1 ATOM 3414 H2 TIP3 457 30.758 1.283 -26.154 0.00 0.00 WAT1 ATOM 3415 OH2 TIP3 458 27.510 -1.005 -28.671 0.00 0.00 WAT1 ATOM 3416 H1 TIP3 458 27.723 -1.893 -28.958 0.00 0.00 WAT1 ATOM 3417 H2 TIP3 458 27.575 -1.039 -27.716 0.00 0.00 WAT1 ATOM 3418 OH2 TIP3 459 31.019 -15.341 -29.526 0.00 0.00 WAT1 ATOM 3419 H1 TIP3 459 30.344 -15.970 -29.271 0.00 0.00 WAT1 ATOM 3420 H2 TIP3 459 31.583 -15.825 -30.129 0.00 0.00 WAT1 ATOM 3421 OH2 TIP3 460 36.161 -17.234 -29.414 0.00 0.00 WAT1 ATOM 3422 H1 TIP3 460 36.765 -16.686 -29.915 0.00 0.00 WAT1 ATOM 3423 H2 TIP3 460 35.292 -16.914 -29.654 0.00 0.00 WAT1 ATOM 3424 OH2 TIP3 461 33.482 -16.750 -30.242 0.00 0.00 WAT1 ATOM 3425 H1 TIP3 461 33.558 -16.655 -31.191 0.00 0.00 WAT1 ATOM 3426 H2 TIP3 461 33.206 -17.658 -30.113 0.00 0.00 WAT1 ATOM 3427 OH2 TIP3 462 34.835 -16.724 -34.549 0.00 0.00 WAT1 ATOM 3428 H1 TIP3 462 34.132 -16.110 -34.759 0.00 0.00 WAT1 ATOM 3429 H2 TIP3 462 34.390 -17.562 -34.418 0.00 0.00 WAT1 ATOM 3430 OH2 TIP3 463 29.069 -14.700 -35.001 0.00 0.00 WAT1 ATOM 3431 H1 TIP3 463 29.247 -15.346 -34.318 0.00 0.00 WAT1 ATOM 3432 H2 TIP3 463 29.015 -13.866 -34.534 0.00 0.00 WAT1 ATOM 3433 OH2 TIP3 464 30.947 0.249 -36.606 0.00 0.00 WAT1 ATOM 3434 H1 TIP3 464 31.813 0.615 -36.784 0.00 0.00 WAT1 ATOM 3435 H2 TIP3 464 30.700 -0.191 -37.419 0.00 0.00 WAT1 ATOM 3436 OH2 TIP3 465 23.303 -16.193 -22.187 0.00 0.00 WAT1 ATOM 3437 H1 TIP3 465 22.937 -16.958 -21.744 0.00 0.00 WAT1 ATOM 3438 H2 TIP3 465 24.216 -16.164 -21.900 0.00 0.00 WAT1 ATOM 3439 OH2 TIP3 466 25.276 -16.842 -20.651 0.00 0.00 WAT1 ATOM 3440 H1 TIP3 466 26.175 -17.116 -20.836 0.00 0.00 WAT1 ATOM 3441 H2 TIP3 466 24.890 -17.585 -20.187 0.00 0.00 WAT1 ATOM 3442 OH2 TIP3 467 33.698 -17.510 -20.469 0.00 0.00 WAT1 ATOM 3443 H1 TIP3 467 33.774 -17.936 -19.615 0.00 0.00 WAT1 ATOM 3444 H2 TIP3 467 34.591 -17.496 -20.811 0.00 0.00 WAT1 ATOM 3445 OH2 TIP3 468 32.424 -7.551 -12.890 0.00 0.00 WAT1 ATOM 3446 H1 TIP3 468 32.513 -6.607 -13.022 0.00 0.00 WAT1 ATOM 3447 H2 TIP3 468 31.785 -7.826 -13.548 0.00 0.00 WAT1 ATOM 3448 OH2 TIP3 469 21.950 -5.139 -15.534 0.00 0.00 WAT1 ATOM 3449 H1 TIP3 469 21.678 -4.910 -16.423 0.00 0.00 WAT1 ATOM 3450 H2 TIP3 469 21.995 -4.301 -15.074 0.00 0.00 WAT1 ATOM 3451 OH2 TIP3 470 35.575 -3.517 -8.821 0.00 0.00 WAT1 ATOM 3452 H1 TIP3 470 34.633 -3.459 -8.660 0.00 0.00 WAT1 ATOM 3453 H2 TIP3 470 35.851 -2.611 -8.958 0.00 0.00 WAT1 ATOM 3454 OH2 TIP3 471 36.672 -5.269 -5.210 0.00 0.00 WAT1 ATOM 3455 H1 TIP3 471 36.812 -5.860 -5.949 0.00 0.00 WAT1 ATOM 3456 H2 TIP3 471 36.840 -4.396 -5.566 0.00 0.00 WAT1 ATOM 3457 OH2 TIP3 472 31.145 -8.307 -15.438 0.00 0.00 WAT1 ATOM 3458 H1 TIP3 472 30.433 -7.772 -15.789 0.00 0.00 WAT1 ATOM 3459 H2 TIP3 472 31.836 -8.251 -16.098 0.00 0.00 WAT1 ATOM 3460 OH2 TIP3 473 31.199 -9.849 -18.399 0.00 0.00 WAT1 ATOM 3461 H1 TIP3 473 31.900 -9.827 -17.748 0.00 0.00 WAT1 ATOM 3462 H2 TIP3 473 31.501 -10.477 -19.055 0.00 0.00 WAT1 ATOM 3463 OH2 TIP3 474 34.551 -8.097 -14.486 0.00 0.00 WAT1 ATOM 3464 H1 TIP3 474 33.819 -7.869 -13.913 0.00 0.00 WAT1 ATOM 3465 H2 TIP3 474 34.998 -8.811 -14.031 0.00 0.00 WAT1 ATOM 3466 OH2 TIP3 475 33.422 -8.935 -16.801 0.00 0.00 WAT1 ATOM 3467 H1 TIP3 475 34.001 -8.785 -16.054 0.00 0.00 WAT1 ATOM 3468 H2 TIP3 475 33.836 -8.464 -17.524 0.00 0.00 WAT1 ATOM 3469 OH2 TIP3 476 24.363 -8.101 -5.024 0.00 0.00 WAT1 ATOM 3470 H1 TIP3 476 24.433 -7.450 -4.326 0.00 0.00 WAT1 ATOM 3471 H2 TIP3 476 23.472 -7.998 -5.359 0.00 0.00 WAT1 ATOM 3472 OH2 TIP3 477 21.279 -6.034 -6.199 0.00 0.00 WAT1 ATOM 3473 H1 TIP3 477 20.778 -6.062 -7.014 0.00 0.00 WAT1 ATOM 3474 H2 TIP3 477 21.285 -6.940 -5.889 0.00 0.00 WAT1 ATOM 3475 OH2 TIP3 478 21.030 -3.254 -9.315 0.00 0.00 WAT1 ATOM 3476 H1 TIP3 478 21.976 -3.398 -9.334 0.00 0.00 WAT1 ATOM 3477 H2 TIP3 478 20.917 -2.470 -8.778 0.00 0.00 WAT1 ATOM 3478 OH2 TIP3 479 39.227 -2.588 -3.633 0.00 0.00 WAT1 ATOM 3479 H1 TIP3 479 39.178 -3.543 -3.670 0.00 0.00 WAT1 ATOM 3480 H2 TIP3 479 38.401 -2.320 -3.231 0.00 0.00 WAT1 ATOM 3481 OH2 TIP3 480 30.620 0.758 -14.951 0.00 0.00 WAT1 ATOM 3482 H1 TIP3 480 30.545 0.637 -15.897 0.00 0.00 WAT1 ATOM 3483 H2 TIP3 480 30.653 1.708 -14.832 0.00 0.00 WAT1 ATOM 3484 OH2 TIP3 481 24.274 -0.453 -13.170 0.00 0.00 WAT1 ATOM 3485 H1 TIP3 481 24.426 -0.801 -12.291 0.00 0.00 WAT1 ATOM 3486 H2 TIP3 481 23.423 -0.809 -13.425 0.00 0.00 WAT1 ATOM 3487 OH2 TIP3 482 23.528 -4.711 -5.156 0.00 0.00 WAT1 ATOM 3488 H1 TIP3 482 23.745 -5.072 -4.296 0.00 0.00 WAT1 ATOM 3489 H2 TIP3 482 22.673 -5.085 -5.366 0.00 0.00 WAT1 ATOM 3490 OH2 TIP3 483 34.899 -7.902 -19.171 0.00 0.00 WAT1 ATOM 3491 H1 TIP3 483 34.941 -8.125 -20.101 0.00 0.00 WAT1 ATOM 3492 H2 TIP3 483 35.748 -7.504 -18.981 0.00 0.00 WAT1 ATOM 3493 OH2 TIP3 484 30.472 -14.026 -18.501 0.00 0.00 WAT1 ATOM 3494 H1 TIP3 484 30.218 -14.007 -17.578 0.00 0.00 WAT1 ATOM 3495 H2 TIP3 484 30.215 -14.898 -18.802 0.00 0.00 WAT1 ATOM 3496 OH2 TIP3 485 36.509 1.280 -2.526 0.00 0.00 WAT1 ATOM 3497 H1 TIP3 485 36.709 1.704 -3.361 0.00 0.00 WAT1 ATOM 3498 H2 TIP3 485 37.165 1.623 -1.919 0.00 0.00 WAT1 ATOM 3499 OH2 TIP3 486 29.307 -6.238 -16.081 0.00 0.00 WAT1 ATOM 3500 H1 TIP3 486 28.563 -6.745 -16.404 0.00 0.00 WAT1 ATOM 3501 H2 TIP3 486 29.173 -6.189 -15.135 0.00 0.00 WAT1 ATOM 3502 OH2 TIP3 487 33.205 -13.424 -17.882 0.00 0.00 WAT1 ATOM 3503 H1 TIP3 487 32.267 -13.312 -18.033 0.00 0.00 WAT1 ATOM 3504 H2 TIP3 487 33.502 -12.567 -17.576 0.00 0.00 WAT1 ATOM 3505 OH2 TIP3 488 33.923 -11.557 -16.221 0.00 0.00 WAT1 ATOM 3506 H1 TIP3 488 34.815 -11.694 -15.902 0.00 0.00 WAT1 ATOM 3507 H2 TIP3 488 33.980 -10.766 -16.758 0.00 0.00 WAT1 ATOM 3508 OH2 TIP3 489 31.433 -4.779 -17.056 0.00 0.00 WAT1 ATOM 3509 H1 TIP3 489 31.138 -3.953 -16.674 0.00 0.00 WAT1 ATOM 3510 H2 TIP3 489 30.730 -5.399 -16.860 0.00 0.00 WAT1 ATOM 3511 OH2 TIP3 490 21.440 -8.482 -4.997 0.00 0.00 WAT1 ATOM 3512 H1 TIP3 490 21.663 -8.900 -4.165 0.00 0.00 WAT1 ATOM 3513 H2 TIP3 490 20.838 -9.095 -5.419 0.00 0.00 WAT1 ATOM 3514 OH2 TIP3 491 38.772 -5.547 -3.690 0.00 0.00 WAT1 ATOM 3515 H1 TIP3 491 37.920 -5.309 -4.057 0.00 0.00 WAT1 ATOM 3516 H2 TIP3 491 39.362 -5.564 -4.443 0.00 0.00 WAT1 ATOM 3517 OH2 TIP3 492 26.807 -3.425 -12.907 0.00 0.00 WAT1 ATOM 3518 H1 TIP3 492 27.334 -2.652 -13.108 0.00 0.00 WAT1 ATOM 3519 H2 TIP3 492 25.927 -3.200 -13.209 0.00 0.00 WAT1 ATOM 3520 OH2 TIP3 493 26.918 -0.740 -13.786 0.00 0.00 WAT1 ATOM 3521 H1 TIP3 493 25.968 -0.635 -13.734 0.00 0.00 WAT1 ATOM 3522 H2 TIP3 493 27.269 0.080 -13.441 0.00 0.00 WAT1 ATOM 3523 OH2 TIP3 494 34.952 -0.962 -4.846 0.00 0.00 WAT1 ATOM 3524 H1 TIP3 494 34.350 -1.517 -5.341 0.00 0.00 WAT1 ATOM 3525 H2 TIP3 494 35.233 -0.295 -5.472 0.00 0.00 WAT1 ATOM 3526 OH2 TIP3 495 35.362 -5.912 -16.015 0.00 0.00 WAT1 ATOM 3527 H1 TIP3 495 35.085 -6.640 -15.459 0.00 0.00 WAT1 ATOM 3528 H2 TIP3 495 36.289 -5.793 -15.809 0.00 0.00 WAT1 ATOM 3529 OH2 TIP3 496 22.725 -1.924 -7.004 0.00 0.00 WAT1 ATOM 3530 H1 TIP3 496 22.942 -2.856 -7.035 0.00 0.00 WAT1 ATOM 3531 H2 TIP3 496 22.972 -1.650 -6.120 0.00 0.00 WAT1 ATOM 3532 OH2 TIP3 497 28.587 -3.473 -19.794 0.00 0.00 WAT1 ATOM 3533 H1 TIP3 497 28.826 -4.221 -20.342 0.00 0.00 WAT1 ATOM 3534 H2 TIP3 497 28.318 -3.861 -18.962 0.00 0.00 WAT1 ATOM 3535 OH2 TIP3 498 27.524 -3.903 -17.338 0.00 0.00 WAT1 ATOM 3536 H1 TIP3 498 27.671 -4.423 -16.548 0.00 0.00 WAT1 ATOM 3537 H2 TIP3 498 27.521 -2.996 -17.032 0.00 0.00 WAT1 ATOM 3538 OH2 TIP3 499 30.262 -2.205 -16.589 0.00 0.00 WAT1 ATOM 3539 H1 TIP3 499 29.445 -1.708 -16.536 0.00 0.00 WAT1 ATOM 3540 H2 TIP3 499 30.791 -1.730 -17.229 0.00 0.00 WAT1 ATOM 3541 OH2 TIP3 500 27.600 -1.162 -16.607 0.00 0.00 WAT1 ATOM 3542 H1 TIP3 500 27.761 -0.362 -17.108 0.00 0.00 WAT1 ATOM 3543 H2 TIP3 500 27.403 -0.855 -15.722 0.00 0.00 WAT1 ATOM 3544 OH2 TIP3 501 24.593 -4.036 -17.931 0.00 0.00 WAT1 ATOM 3545 H1 TIP3 501 25.185 -3.337 -17.655 0.00 0.00 WAT1 ATOM 3546 H2 TIP3 501 25.052 -4.469 -18.650 0.00 0.00 WAT1 ATOM 3547 OH2 TIP3 502 22.647 -2.650 -13.981 0.00 0.00 WAT1 ATOM 3548 H1 TIP3 502 21.815 -2.177 -13.954 0.00 0.00 WAT1 ATOM 3549 H2 TIP3 502 23.193 -2.140 -14.580 0.00 0.00 WAT1 ATOM 3550 OH2 TIP3 503 21.936 -0.037 -2.651 0.00 0.00 WAT1 ATOM 3551 H1 TIP3 503 22.476 -0.254 -1.892 0.00 0.00 WAT1 ATOM 3552 H2 TIP3 503 21.455 -0.843 -2.841 0.00 0.00 WAT1 ATOM 3553 OH2 TIP3 504 26.533 -1.118 -1.031 0.00 0.00 WAT1 ATOM 3554 H1 TIP3 504 27.301 -1.577 -0.690 0.00 0.00 WAT1 ATOM 3555 H2 TIP3 504 26.512 -1.344 -1.961 0.00 0.00 WAT1 ATOM 3556 OH2 TIP3 505 30.625 -1.610 -19.656 0.00 0.00 WAT1 ATOM 3557 H1 TIP3 505 29.981 -2.241 -19.334 0.00 0.00 WAT1 ATOM 3558 H2 TIP3 505 31.387 -2.141 -19.888 0.00 0.00 WAT1 ATOM 3559 OH2 TIP3 506 21.843 -6.227 -1.697 0.00 0.00 WAT1 ATOM 3560 H1 TIP3 506 21.987 -7.129 -1.983 0.00 0.00 WAT1 ATOM 3561 H2 TIP3 506 21.070 -5.941 -2.185 0.00 0.00 WAT1 ATOM 3562 OH2 TIP3 507 26.184 -5.883 -19.565 0.00 0.00 WAT1 ATOM 3563 H1 TIP3 507 26.248 -6.677 -19.034 0.00 0.00 WAT1 ATOM 3564 H2 TIP3 507 26.837 -6.002 -20.254 0.00 0.00 WAT1 ATOM 3565 OH2 TIP3 508 31.536 -4.836 -19.829 0.00 0.00 WAT1 ATOM 3566 H1 TIP3 508 31.268 -4.656 -18.928 0.00 0.00 WAT1 ATOM 3567 H2 TIP3 508 31.330 -5.762 -19.960 0.00 0.00 WAT1 ATOM 3568 OH2 TIP3 509 22.675 -9.027 -2.277 0.00 0.00 WAT1 ATOM 3569 H1 TIP3 509 23.083 -9.884 -2.398 0.00 0.00 WAT1 ATOM 3570 H2 TIP3 509 22.415 -9.012 -1.356 0.00 0.00 WAT1 ATOM 3571 OH2 TIP3 510 34.688 -8.250 -2.982 0.00 0.00 WAT1 ATOM 3572 H1 TIP3 510 34.407 -7.541 -3.560 0.00 0.00 WAT1 ATOM 3573 H2 TIP3 510 35.631 -8.323 -3.133 0.00 0.00 WAT1 ATOM 3574 OH2 TIP3 511 33.794 -14.754 -1.252 0.00 0.00 WAT1 ATOM 3575 H1 TIP3 511 33.697 -15.706 -1.258 0.00 0.00 WAT1 ATOM 3576 H2 TIP3 511 33.472 -14.485 -0.391 0.00 0.00 WAT1 ATOM 3577 OH2 TIP3 512 23.621 -13.544 -2.204 0.00 0.00 WAT1 ATOM 3578 H1 TIP3 512 23.832 -14.251 -2.815 0.00 0.00 WAT1 ATOM 3579 H2 TIP3 512 23.509 -13.982 -1.360 0.00 0.00 WAT1 ATOM 3580 OH2 TIP3 513 28.755 -15.860 -1.171 0.00 0.00 WAT1 ATOM 3581 H1 TIP3 513 28.624 -16.336 -1.992 0.00 0.00 WAT1 ATOM 3582 H2 TIP3 513 28.156 -15.116 -1.227 0.00 0.00 WAT1 ATOM 3583 OH2 TIP3 514 21.870 -4.341 -18.512 0.00 0.00 WAT1 ATOM 3584 H1 TIP3 514 22.784 -4.262 -18.239 0.00 0.00 WAT1 ATOM 3585 H2 TIP3 514 21.877 -5.028 -19.179 0.00 0.00 WAT1 ATOM 3586 OH2 TIP3 515 38.501 -0.491 -5.728 0.00 0.00 WAT1 ATOM 3587 H1 TIP3 515 38.014 -1.226 -6.099 0.00 0.00 WAT1 ATOM 3588 H2 TIP3 515 39.050 -0.884 -5.050 0.00 0.00 WAT1 ATOM 3589 OH2 TIP3 516 36.952 -4.701 -1.090 0.00 0.00 WAT1 ATOM 3590 H1 TIP3 516 36.086 -4.806 -0.696 0.00 0.00 WAT1 ATOM 3591 H2 TIP3 516 37.328 -3.942 -0.643 0.00 0.00 WAT1 ATOM 3592 OH2 TIP3 517 36.893 -2.728 -6.497 0.00 0.00 WAT1 ATOM 3593 H1 TIP3 517 36.245 -2.403 -5.872 0.00 0.00 WAT1 ATOM 3594 H2 TIP3 517 36.375 -3.168 -7.172 0.00 0.00 WAT1 ATOM 3595 OH2 TIP3 518 36.144 -12.287 -14.727 0.00 0.00 WAT1 ATOM 3596 H1 TIP3 518 36.424 -13.194 -14.602 0.00 0.00 WAT1 ATOM 3597 H2 TIP3 518 36.903 -11.853 -15.116 0.00 0.00 WAT1 ATOM 3598 OH2 TIP3 519 21.067 -12.521 -3.038 0.00 0.00 WAT1 ATOM 3599 H1 TIP3 519 21.986 -12.643 -2.802 0.00 0.00 WAT1 ATOM 3600 H2 TIP3 519 20.617 -13.271 -2.649 0.00 0.00 WAT1 ATOM 3601 OH2 TIP3 520 23.061 -3.039 -2.535 0.00 0.00 WAT1 ATOM 3602 H1 TIP3 520 22.240 -2.864 -2.995 0.00 0.00 WAT1 ATOM 3603 H2 TIP3 520 22.809 -3.112 -1.614 0.00 0.00 WAT1 ATOM 3604 OH2 TIP3 521 32.671 0.620 -4.073 0.00 0.00 WAT1 ATOM 3605 H1 TIP3 521 33.348 -0.012 -4.313 0.00 0.00 WAT1 ATOM 3606 H2 TIP3 521 32.993 1.022 -3.265 0.00 0.00 WAT1 ATOM 3607 OH2 TIP3 522 23.417 1.192 -6.229 0.00 0.00 WAT1 ATOM 3608 H1 TIP3 522 22.697 1.632 -6.680 0.00 0.00 WAT1 ATOM 3609 H2 TIP3 522 23.051 0.941 -5.380 0.00 0.00 WAT1 ATOM 3610 OH2 TIP3 523 25.884 0.792 -7.199 0.00 0.00 WAT1 ATOM 3611 H1 TIP3 523 25.019 0.864 -6.795 0.00 0.00 WAT1 ATOM 3612 H2 TIP3 523 25.829 1.339 -7.983 0.00 0.00 WAT1 ATOM 3613 OH2 TIP3 524 30.595 0.680 -8.023 0.00 0.00 WAT1 ATOM 3614 H1 TIP3 524 30.138 1.209 -8.677 0.00 0.00 WAT1 ATOM 3615 H2 TIP3 524 30.758 1.283 -7.298 0.00 0.00 WAT1 ATOM 3616 OH2 TIP3 525 32.922 -0.442 -7.078 0.00 0.00 WAT1 ATOM 3617 H1 TIP3 525 32.018 -0.277 -7.344 0.00 0.00 WAT1 ATOM 3618 H2 TIP3 525 33.351 0.411 -7.144 0.00 0.00 WAT1 ATOM 3619 OH2 TIP3 526 35.527 1.128 -6.783 0.00 0.00 WAT1 ATOM 3620 H1 TIP3 526 35.345 2.044 -6.994 0.00 0.00 WAT1 ATOM 3621 H2 TIP3 526 35.703 0.718 -7.630 0.00 0.00 WAT1 ATOM 3622 OH2 TIP3 527 22.832 -0.185 -9.318 0.00 0.00 WAT1 ATOM 3623 H1 TIP3 527 22.813 -0.610 -8.461 0.00 0.00 WAT1 ATOM 3624 H2 TIP3 527 23.637 -0.503 -9.727 0.00 0.00 WAT1 ATOM 3625 OH2 TIP3 528 24.973 -1.475 -10.663 0.00 0.00 WAT1 ATOM 3626 H1 TIP3 528 24.754 -2.391 -10.494 0.00 0.00 WAT1 ATOM 3627 H2 TIP3 528 25.797 -1.335 -10.197 0.00 0.00 WAT1 ATOM 3628 OH2 TIP3 529 27.510 -1.005 -9.815 0.00 0.00 WAT1 ATOM 3629 H1 TIP3 529 27.723 -1.893 -10.102 0.00 0.00 WAT1 ATOM 3630 H2 TIP3 529 27.575 -1.039 -8.860 0.00 0.00 WAT1 ATOM 3631 OH2 TIP3 530 22.182 -16.909 -17.045 0.00 0.00 WAT1 ATOM 3632 H1 TIP3 530 22.621 -16.298 -17.636 0.00 0.00 WAT1 ATOM 3633 H2 TIP3 530 21.548 -16.371 -16.571 0.00 0.00 WAT1 ATOM 3634 OH2 TIP3 531 30.947 0.249 -17.750 0.00 0.00 WAT1 ATOM 3635 H1 TIP3 531 31.813 0.615 -17.928 0.00 0.00 WAT1 ATOM 3636 H2 TIP3 531 30.700 -0.191 -18.563 0.00 0.00 WAT1 ATOM 3637 OH2 TIP3 532 36.874 -1.437 -2.920 0.00 0.00 WAT1 ATOM 3638 H1 TIP3 532 36.092 -1.623 -3.440 0.00 0.00 WAT1 ATOM 3639 H2 TIP3 532 36.802 -0.508 -2.703 0.00 0.00 WAT1 ATOM 3640 OH2 TIP3 533 31.357 -8.296 9.385 0.00 0.00 WAT1 ATOM 3641 H1 TIP3 533 31.319 -8.942 10.090 0.00 0.00 WAT1 ATOM 3642 H2 TIP3 533 31.034 -8.762 8.614 0.00 0.00 WAT1 ATOM 3643 OH2 TIP3 534 35.063 -5.357 7.687 0.00 0.00 WAT1 ATOM 3644 H1 TIP3 534 34.622 -6.077 8.137 0.00 0.00 WAT1 ATOM 3645 H2 TIP3 534 35.050 -4.636 8.317 0.00 0.00 WAT1 ATOM 3646 OH2 TIP3 535 29.746 -5.863 9.791 0.00 0.00 WAT1 ATOM 3647 H1 TIP3 535 30.050 -6.549 9.197 0.00 0.00 WAT1 ATOM 3648 H2 TIP3 535 30.468 -5.745 10.409 0.00 0.00 WAT1 ATOM 3649 OH2 TIP3 536 32.887 -11.469 10.119 0.00 0.00 WAT1 ATOM 3650 H1 TIP3 536 33.030 -12.416 10.139 0.00 0.00 WAT1 ATOM 3651 H2 TIP3 536 32.781 -11.262 9.190 0.00 0.00 WAT1 ATOM 3652 OH2 TIP3 537 33.764 -13.237 5.792 0.00 0.00 WAT1 ATOM 3653 H1 TIP3 537 34.410 -13.566 6.417 0.00 0.00 WAT1 ATOM 3654 H2 TIP3 537 34.274 -12.719 5.169 0.00 0.00 WAT1 ATOM 3655 OH2 TIP3 538 24.852 -14.450 11.465 0.00 0.00 WAT1 ATOM 3656 H1 TIP3 538 24.633 -13.920 10.699 0.00 0.00 WAT1 ATOM 3657 H2 TIP3 538 24.184 -14.223 12.113 0.00 0.00 WAT1 ATOM 3658 OH2 TIP3 539 27.421 -6.774 11.753 0.00 0.00 WAT1 ATOM 3659 H1 TIP3 539 26.681 -6.176 11.856 0.00 0.00 WAT1 ATOM 3660 H2 TIP3 539 28.135 -6.220 11.437 0.00 0.00 WAT1 ATOM 3661 OH2 TIP3 540 25.829 -4.810 12.540 0.00 0.00 WAT1 ATOM 3662 H1 TIP3 540 25.823 -3.931 12.162 0.00 0.00 WAT1 ATOM 3663 H2 TIP3 540 24.975 -4.893 12.965 0.00 0.00 WAT1 ATOM 3664 OH2 TIP3 541 28.878 -17.144 8.918 0.00 0.00 WAT1 ATOM 3665 H1 TIP3 541 28.761 -18.093 8.864 0.00 0.00 WAT1 ATOM 3666 H2 TIP3 541 28.023 -16.812 9.191 0.00 0.00 WAT1 ATOM 3667 OH2 TIP3 542 33.827 -1.736 6.660 0.00 0.00 WAT1 ATOM 3668 H1 TIP3 542 34.252 -2.443 6.175 0.00 0.00 WAT1 ATOM 3669 H2 TIP3 542 34.144 -0.935 6.243 0.00 0.00 WAT1 ATOM 3670 OH2 TIP3 543 34.986 -3.835 5.169 0.00 0.00 WAT1 ATOM 3671 H1 TIP3 543 34.729 -4.525 4.557 0.00 0.00 WAT1 ATOM 3672 H2 TIP3 543 35.057 -4.278 6.014 0.00 0.00 WAT1 ATOM 3673 OH2 TIP3 544 32.872 -3.195 10.620 0.00 0.00 WAT1 ATOM 3674 H1 TIP3 544 32.631 -2.533 11.268 0.00 0.00 WAT1 ATOM 3675 H2 TIP3 544 32.674 -4.029 11.045 0.00 0.00 WAT1 ATOM 3676 OH2 TIP3 545 27.443 -4.299 14.603 0.00 0.00 WAT1 ATOM 3677 H1 TIP3 545 27.131 -3.517 15.059 0.00 0.00 WAT1 ATOM 3678 H2 TIP3 545 26.793 -4.452 13.917 0.00 0.00 WAT1 ATOM 3679 OH2 TIP3 546 24.363 -8.101 13.832 0.00 0.00 WAT1 ATOM 3680 H1 TIP3 546 24.433 -7.450 14.530 0.00 0.00 WAT1 ATOM 3681 H2 TIP3 546 23.472 -7.998 13.497 0.00 0.00 WAT1 ATOM 3682 OH2 TIP3 547 37.120 -17.185 1.868 0.00 0.00 WAT1 ATOM 3683 H1 TIP3 547 36.221 -17.046 2.163 0.00 0.00 WAT1 ATOM 3684 H2 TIP3 547 37.372 -16.354 1.466 0.00 0.00 WAT1 ATOM 3685 OH2 TIP3 548 38.310 -2.819 0.245 0.00 0.00 WAT1 ATOM 3686 H1 TIP3 548 38.383 -1.880 0.415 0.00 0.00 WAT1 ATOM 3687 H2 TIP3 548 39.215 -3.124 0.188 0.00 0.00 WAT1 ATOM 3688 OH2 TIP3 549 21.279 -6.034 12.657 0.00 0.00 WAT1 ATOM 3689 H1 TIP3 549 20.778 -6.062 11.842 0.00 0.00 WAT1 ATOM 3690 H2 TIP3 549 21.285 -6.940 12.967 0.00 0.00 WAT1 ATOM 3691 OH2 TIP3 550 21.030 -3.254 9.541 0.00 0.00 WAT1 ATOM 3692 H1 TIP3 550 21.976 -3.398 9.522 0.00 0.00 WAT1 ATOM 3693 H2 TIP3 550 20.917 -2.470 10.078 0.00 0.00 WAT1 ATOM 3694 OH2 TIP3 551 23.528 -4.711 13.700 0.00 0.00 WAT1 ATOM 3695 H1 TIP3 551 23.745 -5.072 14.560 0.00 0.00 WAT1 ATOM 3696 H2 TIP3 551 22.673 -5.085 13.490 0.00 0.00 WAT1 ATOM 3697 OH2 TIP3 552 26.147 -16.241 9.696 0.00 0.00 WAT1 ATOM 3698 H1 TIP3 552 25.286 -16.328 9.288 0.00 0.00 WAT1 ATOM 3699 H2 TIP3 552 26.125 -15.385 10.123 0.00 0.00 WAT1 ATOM 3700 OH2 TIP3 553 30.472 -14.026 0.355 0.00 0.00 WAT1 ATOM 3701 H1 TIP3 553 30.218 -14.007 1.278 0.00 0.00 WAT1 ATOM 3702 H2 TIP3 553 30.215 -14.898 0.054 0.00 0.00 WAT1 ATOM 3703 OH2 TIP3 554 26.238 -11.275 10.791 0.00 0.00 WAT1 ATOM 3704 H1 TIP3 554 25.596 -11.316 11.500 0.00 0.00 WAT1 ATOM 3705 H2 TIP3 554 26.275 -10.349 10.553 0.00 0.00 WAT1 ATOM 3706 OH2 TIP3 555 32.775 -11.192 7.334 0.00 0.00 WAT1 ATOM 3707 H1 TIP3 555 32.580 -10.587 6.619 0.00 0.00 WAT1 ATOM 3708 H2 TIP3 555 32.957 -12.026 6.899 0.00 0.00 WAT1 ATOM 3709 OH2 TIP3 556 23.988 -10.955 12.658 0.00 0.00 WAT1 ATOM 3710 H1 TIP3 556 23.950 -10.555 13.526 0.00 0.00 WAT1 ATOM 3711 H2 TIP3 556 23.497 -11.772 12.748 0.00 0.00 WAT1 ATOM 3712 OH2 TIP3 557 27.354 -13.581 -0.544 0.00 0.00 WAT1 ATOM 3713 H1 TIP3 557 26.923 -14.026 0.186 0.00 0.00 WAT1 ATOM 3714 H2 TIP3 557 26.636 -13.209 -1.056 0.00 0.00 WAT1 ATOM 3715 OH2 TIP3 558 32.039 -9.554 12.005 0.00 0.00 WAT1 ATOM 3716 H1 TIP3 558 32.363 -10.185 11.362 0.00 0.00 WAT1 ATOM 3717 H2 TIP3 558 31.599 -10.089 12.666 0.00 0.00 WAT1 ATOM 3718 OH2 TIP3 559 28.817 -13.627 6.789 0.00 0.00 WAT1 ATOM 3719 H1 TIP3 559 27.906 -13.570 7.078 0.00 0.00 WAT1 ATOM 3720 H2 TIP3 559 29.322 -13.687 7.600 0.00 0.00 WAT1 ATOM 3721 OH2 TIP3 560 30.137 -10.839 8.676 0.00 0.00 WAT1 ATOM 3722 H1 TIP3 560 30.701 -11.386 8.129 0.00 0.00 WAT1 ATOM 3723 H2 TIP3 560 29.989 -11.361 9.465 0.00 0.00 WAT1 ATOM 3724 OH2 TIP3 561 28.763 -12.451 11.090 0.00 0.00 WAT1 ATOM 3725 H1 TIP3 561 27.928 -11.997 11.200 0.00 0.00 WAT1 ATOM 3726 H2 TIP3 561 29.287 -12.175 11.842 0.00 0.00 WAT1 ATOM 3727 OH2 TIP3 562 33.205 -13.424 0.974 0.00 0.00 WAT1 ATOM 3728 H1 TIP3 562 32.267 -13.312 0.823 0.00 0.00 WAT1 ATOM 3729 H2 TIP3 562 33.502 -12.567 1.280 0.00 0.00 WAT1 ATOM 3730 OH2 TIP3 563 21.440 -8.482 13.859 0.00 0.00 WAT1 ATOM 3731 H1 TIP3 563 21.663 -8.900 14.691 0.00 0.00 WAT1 ATOM 3732 H2 TIP3 563 20.838 -9.095 13.437 0.00 0.00 WAT1 ATOM 3733 OH2 TIP3 564 38.808 -11.347 2.329 0.00 0.00 WAT1 ATOM 3734 H1 TIP3 564 38.254 -11.743 1.657 0.00 0.00 WAT1 ATOM 3735 H2 TIP3 564 38.909 -10.437 2.052 0.00 0.00 WAT1 ATOM 3736 OH2 TIP3 565 37.104 -2.561 2.794 0.00 0.00 WAT1 ATOM 3737 H1 TIP3 565 36.731 -3.387 3.104 0.00 0.00 WAT1 ATOM 3738 H2 TIP3 565 37.381 -2.744 1.897 0.00 0.00 WAT1 ATOM 3739 OH2 TIP3 566 34.264 -7.753 9.816 0.00 0.00 WAT1 ATOM 3740 H1 TIP3 566 33.336 -7.985 9.789 0.00 0.00 WAT1 ATOM 3741 H2 TIP3 566 34.715 -8.530 9.486 0.00 0.00 WAT1 ATOM 3742 OH2 TIP3 567 28.749 -1.613 11.840 0.00 0.00 WAT1 ATOM 3743 H1 TIP3 567 29.112 -0.758 11.607 0.00 0.00 WAT1 ATOM 3744 H2 TIP3 567 29.281 -1.905 12.581 0.00 0.00 WAT1 ATOM 3745 OH2 TIP3 568 32.293 -5.514 11.541 0.00 0.00 WAT1 ATOM 3746 H1 TIP3 568 31.867 -5.741 12.367 0.00 0.00 WAT1 ATOM 3747 H2 TIP3 568 32.874 -6.252 11.358 0.00 0.00 WAT1 ATOM 3748 OH2 TIP3 569 39.000 -0.105 0.816 0.00 0.00 WAT1 ATOM 3749 H1 TIP3 569 39.743 0.481 0.676 0.00 0.00 WAT1 ATOM 3750 H2 TIP3 569 38.305 0.463 1.149 0.00 0.00 WAT1 ATOM 3751 OH2 TIP3 570 23.074 -13.729 13.417 0.00 0.00 WAT1 ATOM 3752 H1 TIP3 570 22.181 -13.390 13.350 0.00 0.00 WAT1 ATOM 3753 H2 TIP3 570 22.975 -14.584 13.835 0.00 0.00 WAT1 ATOM 3754 OH2 TIP3 571 22.725 -1.924 11.852 0.00 0.00 WAT1 ATOM 3755 H1 TIP3 571 22.942 -2.856 11.821 0.00 0.00 WAT1 ATOM 3756 H2 TIP3 571 22.972 -1.650 12.736 0.00 0.00 WAT1 ATOM 3757 OH2 TIP3 572 32.593 -14.336 3.404 0.00 0.00 WAT1 ATOM 3758 H1 TIP3 572 32.813 -13.864 2.601 0.00 0.00 WAT1 ATOM 3759 H2 TIP3 572 33.151 -13.941 4.075 0.00 0.00 WAT1 ATOM 3760 OH2 TIP3 573 30.677 -15.527 5.177 0.00 0.00 WAT1 ATOM 3761 H1 TIP3 573 30.330 -14.909 5.822 0.00 0.00 WAT1 ATOM 3762 H2 TIP3 573 31.335 -15.026 4.696 0.00 0.00 WAT1 ATOM 3763 OH2 TIP3 574 35.135 -9.964 8.355 0.00 0.00 WAT1 ATOM 3764 H1 TIP3 574 34.338 -10.379 8.026 0.00 0.00 WAT1 ATOM 3765 H2 TIP3 574 35.580 -10.655 8.846 0.00 0.00 WAT1 ATOM 3766 OH2 TIP3 575 36.222 -0.708 9.977 0.00 0.00 WAT1 ATOM 3767 H1 TIP3 575 36.066 -0.030 9.320 0.00 0.00 WAT1 ATOM 3768 H2 TIP3 575 37.154 -0.636 10.180 0.00 0.00 WAT1 ATOM 3769 OH2 TIP3 576 35.229 -1.793 -0.566 0.00 0.00 WAT1 ATOM 3770 H1 TIP3 576 35.512 -2.587 -0.113 0.00 0.00 WAT1 ATOM 3771 H2 TIP3 576 35.969 -1.560 -1.127 0.00 0.00 WAT1 ATOM 3772 OH2 TIP3 577 26.622 -10.018 13.953 0.00 0.00 WAT1 ATOM 3773 H1 TIP3 577 26.004 -9.343 14.234 0.00 0.00 WAT1 ATOM 3774 H2 TIP3 577 26.966 -9.697 13.120 0.00 0.00 WAT1 ATOM 3775 OH2 TIP3 578 37.794 -7.313 -0.695 0.00 0.00 WAT1 ATOM 3776 H1 TIP3 578 37.521 -7.738 -1.508 0.00 0.00 WAT1 ATOM 3777 H2 TIP3 578 37.834 -6.382 -0.912 0.00 0.00 WAT1 ATOM 3778 OH2 TIP3 579 27.374 -14.293 12.528 0.00 0.00 WAT1 ATOM 3779 H1 TIP3 579 27.910 -13.842 11.876 0.00 0.00 WAT1 ATOM 3780 H2 TIP3 579 26.522 -14.401 12.106 0.00 0.00 WAT1 ATOM 3781 OH2 TIP3 580 28.956 -8.854 12.768 0.00 0.00 WAT1 ATOM 3782 H1 TIP3 580 29.707 -9.010 12.195 0.00 0.00 WAT1 ATOM 3783 H2 TIP3 580 28.617 -8.002 12.492 0.00 0.00 WAT1 ATOM 3784 OH2 TIP3 581 38.253 -6.444 3.280 0.00 0.00 WAT1 ATOM 3785 H1 TIP3 581 39.103 -6.023 3.408 0.00 0.00 WAT1 ATOM 3786 H2 TIP3 581 38.258 -7.184 3.888 0.00 0.00 WAT1 ATOM 3787 OH2 TIP3 582 38.647 -8.391 5.104 0.00 0.00 WAT1 ATOM 3788 H1 TIP3 582 37.921 -8.870 5.502 0.00 0.00 WAT1 ATOM 3789 H2 TIP3 582 39.228 -8.185 5.836 0.00 0.00 WAT1 ATOM 3790 OH2 TIP3 583 38.915 -8.490 1.495 0.00 0.00 WAT1 ATOM 3791 H1 TIP3 583 38.394 -8.133 0.776 0.00 0.00 WAT1 ATOM 3792 H2 TIP3 583 38.882 -7.815 2.173 0.00 0.00 WAT1 ATOM 3793 OH2 TIP3 584 37.264 -11.250 0.046 0.00 0.00 WAT1 ATOM 3794 H1 TIP3 584 37.361 -10.583 -0.634 0.00 0.00 WAT1 ATOM 3795 H2 TIP3 584 37.124 -12.066 -0.436 0.00 0.00 WAT1 ATOM 3796 OH2 TIP3 585 36.434 -9.870 5.667 0.00 0.00 WAT1 ATOM 3797 H1 TIP3 585 36.284 -10.815 5.647 0.00 0.00 WAT1 ATOM 3798 H2 TIP3 585 36.080 -9.589 6.511 0.00 0.00 WAT1 ATOM 3799 OH2 TIP3 586 36.512 -13.842 -0.837 0.00 0.00 WAT1 ATOM 3800 H1 TIP3 586 37.122 -14.214 -0.200 0.00 0.00 WAT1 ATOM 3801 H2 TIP3 586 35.675 -14.264 -0.641 0.00 0.00 WAT1 ATOM 3802 OH2 TIP3 587 36.144 -12.287 4.129 0.00 0.00 WAT1 ATOM 3803 H1 TIP3 587 36.424 -13.194 4.254 0.00 0.00 WAT1 ATOM 3804 H2 TIP3 587 36.903 -11.853 3.740 0.00 0.00 WAT1 ATOM 3805 OH2 TIP3 588 38.624 -14.957 0.706 0.00 0.00 WAT1 ATOM 3806 H1 TIP3 588 39.037 -15.678 0.230 0.00 0.00 WAT1 ATOM 3807 H2 TIP3 588 39.306 -14.287 0.764 0.00 0.00 WAT1 ATOM 3808 OH2 TIP3 589 35.676 0.032 5.778 0.00 0.00 WAT1 ATOM 3809 H1 TIP3 589 36.329 -0.315 5.170 0.00 0.00 WAT1 ATOM 3810 H2 TIP3 589 36.187 0.521 6.424 0.00 0.00 WAT1 ATOM 3811 OH2 TIP3 590 20.869 -16.214 12.177 0.00 0.00 WAT1 ATOM 3812 H1 TIP3 590 20.204 -16.460 12.820 0.00 0.00 WAT1 ATOM 3813 H2 TIP3 590 20.426 -15.592 11.600 0.00 0.00 WAT1 ATOM 3814 OH2 TIP3 591 26.015 -2.064 12.580 0.00 0.00 WAT1 ATOM 3815 H1 TIP3 591 25.590 -1.255 12.297 0.00 0.00 WAT1 ATOM 3816 H2 TIP3 591 26.920 -1.979 12.278 0.00 0.00 WAT1 ATOM 3817 OH2 TIP3 592 25.884 0.792 11.657 0.00 0.00 WAT1 ATOM 3818 H1 TIP3 592 25.019 0.864 12.061 0.00 0.00 WAT1 ATOM 3819 H2 TIP3 592 25.829 1.339 10.873 0.00 0.00 WAT1 ATOM 3820 OH2 TIP3 593 30.595 0.680 10.833 0.00 0.00 WAT1 ATOM 3821 H1 TIP3 593 30.138 1.209 10.179 0.00 0.00 WAT1 ATOM 3822 H2 TIP3 593 30.758 1.283 11.558 0.00 0.00 WAT1 ATOM 3823 OH2 TIP3 594 32.922 -0.442 11.778 0.00 0.00 WAT1 ATOM 3824 H1 TIP3 594 32.018 -0.277 11.512 0.00 0.00 WAT1 ATOM 3825 H2 TIP3 594 33.351 0.411 11.712 0.00 0.00 WAT1 ATOM 3826 OH2 TIP3 595 22.832 -0.185 9.538 0.00 0.00 WAT1 ATOM 3827 H1 TIP3 595 22.813 -0.610 10.395 0.00 0.00 WAT1 ATOM 3828 H2 TIP3 595 23.637 -0.503 9.129 0.00 0.00 WAT1 ATOM 3829 OH2 TIP3 596 27.510 -1.005 9.041 0.00 0.00 WAT1 ATOM 3830 H1 TIP3 596 27.723 -1.893 8.754 0.00 0.00 WAT1 ATOM 3831 H2 TIP3 596 27.575 -1.039 9.996 0.00 0.00 WAT1 ATOM 3832 OH2 TIP3 597 31.019 -15.341 8.186 0.00 0.00 WAT1 ATOM 3833 H1 TIP3 597 30.344 -15.970 8.441 0.00 0.00 WAT1 ATOM 3834 H2 TIP3 597 31.583 -15.825 7.583 0.00 0.00 WAT1 ATOM 3835 OH2 TIP3 598 34.835 -16.724 3.163 0.00 0.00 WAT1 ATOM 3836 H1 TIP3 598 34.132 -16.110 2.953 0.00 0.00 WAT1 ATOM 3837 H2 TIP3 598 34.390 -17.562 3.294 0.00 0.00 WAT1 ATOM 3838 OH2 TIP3 599 24.043 -14.993 0.254 0.00 0.00 WAT1 ATOM 3839 H1 TIP3 599 24.534 -15.623 -0.274 0.00 0.00 WAT1 ATOM 3840 H2 TIP3 599 24.666 -14.697 0.917 0.00 0.00 WAT1 ATOM 3841 OH2 TIP3 600 29.069 -14.700 2.711 0.00 0.00 WAT1 ATOM 3842 H1 TIP3 600 29.247 -15.346 3.394 0.00 0.00 WAT1 ATOM 3843 H2 TIP3 600 29.015 -13.866 3.178 0.00 0.00 WAT1 ATOM 3844 OH2 TIP3 601 37.656 -0.188 3.786 0.00 0.00 WAT1 ATOM 3845 H1 TIP3 601 37.462 -0.936 3.221 0.00 0.00 WAT1 ATOM 3846 H2 TIP3 601 37.617 0.570 3.202 0.00 0.00 WAT1 ATOM 3847 OH2 TIP3 602 23.901 -0.041 -0.266 0.00 0.00 WAT1 ATOM 3848 H1 TIP3 602 23.633 0.246 0.607 0.00 0.00 WAT1 ATOM 3849 H2 TIP3 602 24.672 -0.587 -0.114 0.00 0.00 WAT1 ATOM 3850 OH2 TIP3 603 38.409 4.594 -45.916 0.00 0.00 WAT1 ATOM 3851 H1 TIP3 603 38.458 5.204 -45.180 0.00 0.00 WAT1 ATOM 3852 H2 TIP3 603 38.835 5.055 -46.639 0.00 0.00 WAT1 ATOM 3853 OH2 TIP3 604 38.801 6.072 -43.680 0.00 0.00 WAT1 ATOM 3854 H1 TIP3 604 38.112 6.730 -43.775 0.00 0.00 WAT1 ATOM 3855 H2 TIP3 604 38.816 5.875 -42.743 0.00 0.00 WAT1 ATOM 3856 OH2 TIP3 605 36.533 5.141 -42.309 0.00 0.00 WAT1 ATOM 3857 H1 TIP3 605 35.617 5.404 -42.397 0.00 0.00 WAT1 ATOM 3858 H2 TIP3 605 36.869 5.138 -43.206 0.00 0.00 WAT1 ATOM 3859 OH2 TIP3 606 39.068 1.867 -38.873 0.00 0.00 WAT1 ATOM 3860 H1 TIP3 606 39.418 1.213 -39.479 0.00 0.00 WAT1 ATOM 3861 H2 TIP3 606 39.215 2.704 -39.313 0.00 0.00 WAT1 ATOM 3862 OH2 TIP3 607 38.588 3.976 -40.524 0.00 0.00 WAT1 ATOM 3863 H1 TIP3 607 37.671 4.247 -40.560 0.00 0.00 WAT1 ATOM 3864 H2 TIP3 607 38.711 3.441 -41.308 0.00 0.00 WAT1 ATOM 3865 OH2 TIP3 608 37.589 2.066 -42.705 0.00 0.00 WAT1 ATOM 3866 H1 TIP3 608 36.776 2.391 -43.093 0.00 0.00 WAT1 ATOM 3867 H2 TIP3 608 37.822 1.306 -43.238 0.00 0.00 WAT1 ATOM 3868 OH2 TIP3 609 33.698 1.346 -39.325 0.00 0.00 WAT1 ATOM 3869 H1 TIP3 609 33.774 0.920 -38.471 0.00 0.00 WAT1 ATOM 3870 H2 TIP3 609 34.591 1.360 -39.667 0.00 0.00 WAT1 ATOM 3871 OH2 TIP3 610 32.887 7.387 -27.593 0.00 0.00 WAT1 ATOM 3872 H1 TIP3 610 33.030 6.440 -27.573 0.00 0.00 WAT1 ATOM 3873 H2 TIP3 610 32.781 7.594 -28.522 0.00 0.00 WAT1 ATOM 3874 OH2 TIP3 611 33.764 5.619 -31.920 0.00 0.00 WAT1 ATOM 3875 H1 TIP3 611 34.410 5.290 -31.295 0.00 0.00 WAT1 ATOM 3876 H2 TIP3 611 34.274 6.137 -32.543 0.00 0.00 WAT1 ATOM 3877 OH2 TIP3 612 35.528 4.910 -29.939 0.00 0.00 WAT1 ATOM 3878 H1 TIP3 612 35.313 4.144 -29.407 0.00 0.00 WAT1 ATOM 3879 H2 TIP3 612 36.184 5.382 -29.426 0.00 0.00 WAT1 ATOM 3880 OH2 TIP3 613 28.878 1.712 -28.794 0.00 0.00 WAT1 ATOM 3881 H1 TIP3 613 28.761 0.763 -28.848 0.00 0.00 WAT1 ATOM 3882 H2 TIP3 613 28.023 2.044 -28.521 0.00 0.00 WAT1 ATOM 3883 OH2 TIP3 614 38.514 9.927 -26.000 0.00 0.00 WAT1 ATOM 3884 H1 TIP3 614 37.862 10.622 -25.911 0.00 0.00 WAT1 ATOM 3885 H2 TIP3 614 38.979 10.137 -26.810 0.00 0.00 WAT1 ATOM 3886 OH2 TIP3 615 34.448 8.933 -24.274 0.00 0.00 WAT1 ATOM 3887 H1 TIP3 615 34.528 9.696 -23.702 0.00 0.00 WAT1 ATOM 3888 H2 TIP3 615 33.847 9.212 -24.965 0.00 0.00 WAT1 ATOM 3889 OH2 TIP3 616 36.379 7.761 -22.009 0.00 0.00 WAT1 ATOM 3890 H1 TIP3 616 35.972 8.242 -22.729 0.00 0.00 WAT1 ATOM 3891 H2 TIP3 616 36.420 6.856 -22.316 0.00 0.00 WAT1 ATOM 3892 OH2 TIP3 617 30.810 2.337 -24.642 0.00 0.00 WAT1 ATOM 3893 H1 TIP3 617 31.230 1.922 -23.889 0.00 0.00 WAT1 ATOM 3894 H2 TIP3 617 29.877 2.159 -24.525 0.00 0.00 WAT1 ATOM 3895 OH2 TIP3 618 34.136 6.093 -23.788 0.00 0.00 WAT1 ATOM 3896 H1 TIP3 618 33.622 5.967 -22.991 0.00 0.00 WAT1 ATOM 3897 H2 TIP3 618 33.981 7.005 -24.033 0.00 0.00 WAT1 ATOM 3898 OH2 TIP3 619 33.222 4.464 -27.659 0.00 0.00 WAT1 ATOM 3899 H1 TIP3 619 32.545 4.595 -26.995 0.00 0.00 WAT1 ATOM 3900 H2 TIP3 619 32.736 4.309 -28.469 0.00 0.00 WAT1 ATOM 3901 OH2 TIP3 620 36.457 11.751 -26.151 0.00 0.00 WAT1 ATOM 3902 H1 TIP3 620 37.099 12.208 -26.694 0.00 0.00 WAT1 ATOM 3903 H2 TIP3 620 35.627 11.864 -26.613 0.00 0.00 WAT1 ATOM 3904 OH2 TIP3 621 38.808 7.509 -35.383 0.00 0.00 WAT1 ATOM 3905 H1 TIP3 621 38.254 7.113 -36.055 0.00 0.00 WAT1 ATOM 3906 H2 TIP3 621 38.909 8.419 -35.660 0.00 0.00 WAT1 ATOM 3907 OH2 TIP3 622 38.772 13.309 -22.546 0.00 0.00 WAT1 ATOM 3908 H1 TIP3 622 37.920 13.547 -22.913 0.00 0.00 WAT1 ATOM 3909 H2 TIP3 622 39.362 13.292 -23.299 0.00 0.00 WAT1 ATOM 3910 OH2 TIP3 623 31.809 4.868 -25.405 0.00 0.00 WAT1 ATOM 3911 H1 TIP3 623 32.507 4.942 -24.755 0.00 0.00 WAT1 ATOM 3912 H2 TIP3 623 31.428 4.004 -25.250 0.00 0.00 WAT1 ATOM 3913 OH2 TIP3 624 32.593 4.520 -34.308 0.00 0.00 WAT1 ATOM 3914 H1 TIP3 624 32.813 4.992 -35.111 0.00 0.00 WAT1 ATOM 3915 H2 TIP3 624 33.151 4.915 -33.637 0.00 0.00 WAT1 ATOM 3916 OH2 TIP3 625 30.677 3.329 -32.535 0.00 0.00 WAT1 ATOM 3917 H1 TIP3 625 30.330 3.947 -31.890 0.00 0.00 WAT1 ATOM 3918 H2 TIP3 625 31.335 3.830 -33.016 0.00 0.00 WAT1 ATOM 3919 OH2 TIP3 626 36.533 5.141 -23.453 0.00 0.00 WAT1 ATOM 3920 H1 TIP3 626 35.617 5.404 -23.541 0.00 0.00 WAT1 ATOM 3921 H2 TIP3 626 36.869 5.138 -24.350 0.00 0.00 WAT1 ATOM 3922 OH2 TIP3 627 35.135 8.892 -29.357 0.00 0.00 WAT1 ATOM 3923 H1 TIP3 627 34.338 8.477 -29.686 0.00 0.00 WAT1 ATOM 3924 H2 TIP3 627 35.580 8.201 -28.866 0.00 0.00 WAT1 ATOM 3925 OH2 TIP3 628 33.372 7.817 -19.916 0.00 0.00 WAT1 ATOM 3926 H1 TIP3 628 33.564 6.886 -20.027 0.00 0.00 WAT1 ATOM 3927 H2 TIP3 628 34.229 8.242 -19.926 0.00 0.00 WAT1 ATOM 3928 OH2 TIP3 629 34.688 10.606 -21.838 0.00 0.00 WAT1 ATOM 3929 H1 TIP3 629 34.407 11.315 -22.416 0.00 0.00 WAT1 ATOM 3930 H2 TIP3 629 35.631 10.533 -21.989 0.00 0.00 WAT1 ATOM 3931 OH2 TIP3 630 32.160 5.468 -22.113 0.00 0.00 WAT1 ATOM 3932 H1 TIP3 630 31.212 5.500 -21.981 0.00 0.00 WAT1 ATOM 3933 H2 TIP3 630 32.472 4.843 -21.459 0.00 0.00 WAT1 ATOM 3934 OH2 TIP3 631 33.794 4.102 -20.108 0.00 0.00 WAT1 ATOM 3935 H1 TIP3 631 33.697 3.150 -20.114 0.00 0.00 WAT1 ATOM 3936 H2 TIP3 631 33.472 4.371 -19.247 0.00 0.00 WAT1 ATOM 3937 OH2 TIP3 632 36.952 14.155 -19.946 0.00 0.00 WAT1 ATOM 3938 H1 TIP3 632 36.086 14.050 -19.552 0.00 0.00 WAT1 ATOM 3939 H2 TIP3 632 37.328 14.914 -19.499 0.00 0.00 WAT1 ATOM 3940 OH2 TIP3 633 38.647 10.465 -32.608 0.00 0.00 WAT1 ATOM 3941 H1 TIP3 633 37.921 9.986 -32.210 0.00 0.00 WAT1 ATOM 3942 H2 TIP3 633 39.228 10.671 -31.876 0.00 0.00 WAT1 ATOM 3943 OH2 TIP3 634 36.434 8.986 -32.045 0.00 0.00 WAT1 ATOM 3944 H1 TIP3 634 36.284 8.041 -32.065 0.00 0.00 WAT1 ATOM 3945 H2 TIP3 634 36.080 9.267 -31.201 0.00 0.00 WAT1 ATOM 3946 OH2 TIP3 635 37.290 10.956 -22.406 0.00 0.00 WAT1 ATOM 3947 H1 TIP3 635 37.873 10.222 -22.215 0.00 0.00 WAT1 ATOM 3948 H2 TIP3 635 37.854 11.728 -22.360 0.00 0.00 WAT1 ATOM 3949 OH2 TIP3 636 38.787 8.859 -21.722 0.00 0.00 WAT1 ATOM 3950 H1 TIP3 636 37.924 8.480 -21.887 0.00 0.00 WAT1 ATOM 3951 H2 TIP3 636 39.391 8.120 -21.796 0.00 0.00 WAT1 ATOM 3952 OH2 TIP3 637 36.512 5.014 -38.549 0.00 0.00 WAT1 ATOM 3953 H1 TIP3 637 37.122 4.642 -37.912 0.00 0.00 WAT1 ATOM 3954 H2 TIP3 637 35.675 4.592 -38.353 0.00 0.00 WAT1 ATOM 3955 OH2 TIP3 638 36.756 7.150 -28.147 0.00 0.00 WAT1 ATOM 3956 H1 TIP3 638 37.689 7.362 -28.181 0.00 0.00 WAT1 ATOM 3957 H2 TIP3 638 36.521 7.252 -27.224 0.00 0.00 WAT1 ATOM 3958 OH2 TIP3 639 36.785 7.887 -25.371 0.00 0.00 WAT1 ATOM 3959 H1 TIP3 639 35.942 8.155 -25.005 0.00 0.00 WAT1 ATOM 3960 H2 TIP3 639 37.228 8.709 -25.582 0.00 0.00 WAT1 ATOM 3961 OH2 TIP3 640 36.758 3.832 -33.534 0.00 0.00 WAT1 ATOM 3962 H1 TIP3 640 36.940 3.383 -32.709 0.00 0.00 WAT1 ATOM 3963 H2 TIP3 640 36.158 3.247 -33.998 0.00 0.00 WAT1 ATOM 3964 OH2 TIP3 641 38.624 3.899 -37.006 0.00 0.00 WAT1 ATOM 3965 H1 TIP3 641 39.037 3.178 -37.482 0.00 0.00 WAT1 ATOM 3966 H2 TIP3 641 39.306 4.569 -36.948 0.00 0.00 WAT1 ATOM 3967 OH2 TIP3 642 31.019 3.515 -29.526 0.00 0.00 WAT1 ATOM 3968 H1 TIP3 642 30.344 2.886 -29.271 0.00 0.00 WAT1 ATOM 3969 H2 TIP3 642 31.583 3.031 -30.129 0.00 0.00 WAT1 ATOM 3970 OH2 TIP3 643 37.888 2.761 -31.080 0.00 0.00 WAT1 ATOM 3971 H1 TIP3 643 38.500 2.247 -31.607 0.00 0.00 WAT1 ATOM 3972 H2 TIP3 643 38.271 3.639 -31.057 0.00 0.00 WAT1 ATOM 3973 OH2 TIP3 644 33.482 2.106 -30.242 0.00 0.00 WAT1 ATOM 3974 H1 TIP3 644 33.558 2.201 -31.191 0.00 0.00 WAT1 ATOM 3975 H2 TIP3 644 33.206 1.198 -30.113 0.00 0.00 WAT1 ATOM 3976 OH2 TIP3 645 34.835 2.132 -34.549 0.00 0.00 WAT1 ATOM 3977 H1 TIP3 645 34.132 2.746 -34.759 0.00 0.00 WAT1 ATOM 3978 H2 TIP3 645 34.390 1.294 -34.418 0.00 0.00 WAT1 ATOM 3979 OH2 TIP3 646 33.698 1.346 -20.469 0.00 0.00 WAT1 ATOM 3980 H1 TIP3 646 33.774 0.920 -19.615 0.00 0.00 WAT1 ATOM 3981 H2 TIP3 646 34.591 1.360 -20.811 0.00 0.00 WAT1 ATOM 3982 OH2 TIP3 647 32.424 11.305 -12.890 0.00 0.00 WAT1 ATOM 3983 H1 TIP3 647 32.513 12.249 -13.022 0.00 0.00 WAT1 ATOM 3984 H2 TIP3 647 31.785 11.030 -13.548 0.00 0.00 WAT1 ATOM 3985 OH2 TIP3 648 35.063 13.499 -11.169 0.00 0.00 WAT1 ATOM 3986 H1 TIP3 648 34.622 12.779 -10.719 0.00 0.00 WAT1 ATOM 3987 H2 TIP3 648 35.050 14.220 -10.539 0.00 0.00 WAT1 ATOM 3988 OH2 TIP3 649 32.887 7.387 -8.737 0.00 0.00 WAT1 ATOM 3989 H1 TIP3 649 33.030 6.440 -8.717 0.00 0.00 WAT1 ATOM 3990 H2 TIP3 649 32.781 7.594 -9.666 0.00 0.00 WAT1 ATOM 3991 OH2 TIP3 650 33.764 5.619 -13.064 0.00 0.00 WAT1 ATOM 3992 H1 TIP3 650 34.410 5.290 -12.439 0.00 0.00 WAT1 ATOM 3993 H2 TIP3 650 34.274 6.137 -13.687 0.00 0.00 WAT1 ATOM 3994 OH2 TIP3 651 35.528 4.910 -11.083 0.00 0.00 WAT1 ATOM 3995 H1 TIP3 651 35.313 4.144 -10.551 0.00 0.00 WAT1 ATOM 3996 H2 TIP3 651 36.184 5.382 -10.570 0.00 0.00 WAT1 ATOM 3997 OH2 TIP3 652 35.875 3.625 -7.404 0.00 0.00 WAT1 ATOM 3998 H1 TIP3 652 35.139 4.236 -7.442 0.00 0.00 WAT1 ATOM 3999 H2 TIP3 652 36.559 4.040 -7.930 0.00 0.00 WAT1 ATOM 4000 OH2 TIP3 653 28.878 1.712 -9.938 0.00 0.00 WAT1 ATOM 4001 H1 TIP3 653 28.761 0.763 -9.992 0.00 0.00 WAT1 ATOM 4002 H2 TIP3 653 28.023 2.044 -9.665 0.00 0.00 WAT1 ATOM 4003 OH2 TIP3 654 31.145 10.549 -15.438 0.00 0.00 WAT1 ATOM 4004 H1 TIP3 654 30.433 11.084 -15.789 0.00 0.00 WAT1 ATOM 4005 H2 TIP3 654 31.836 10.605 -16.098 0.00 0.00 WAT1 ATOM 4006 OH2 TIP3 655 31.199 9.007 -18.399 0.00 0.00 WAT1 ATOM 4007 H1 TIP3 655 31.900 9.029 -17.748 0.00 0.00 WAT1 ATOM 4008 H2 TIP3 655 31.501 8.379 -19.055 0.00 0.00 WAT1 ATOM 4009 OH2 TIP3 656 38.514 9.927 -7.144 0.00 0.00 WAT1 ATOM 4010 H1 TIP3 656 37.862 10.622 -7.055 0.00 0.00 WAT1 ATOM 4011 H2 TIP3 656 38.979 10.137 -7.954 0.00 0.00 WAT1 ATOM 4012 OH2 TIP3 657 34.551 10.759 -14.486 0.00 0.00 WAT1 ATOM 4013 H1 TIP3 657 33.819 10.987 -13.913 0.00 0.00 WAT1 ATOM 4014 H2 TIP3 657 34.998 10.045 -14.031 0.00 0.00 WAT1 ATOM 4015 OH2 TIP3 658 34.448 8.933 -5.418 0.00 0.00 WAT1 ATOM 4016 H1 TIP3 658 34.528 9.696 -4.846 0.00 0.00 WAT1 ATOM 4017 H2 TIP3 658 33.847 9.212 -6.109 0.00 0.00 WAT1 ATOM 4018 OH2 TIP3 659 33.422 9.921 -16.801 0.00 0.00 WAT1 ATOM 4019 H1 TIP3 659 34.001 10.071 -16.054 0.00 0.00 WAT1 ATOM 4020 H2 TIP3 659 33.836 10.392 -17.524 0.00 0.00 WAT1 ATOM 4021 OH2 TIP3 660 36.379 7.761 -3.153 0.00 0.00 WAT1 ATOM 4022 H1 TIP3 660 35.972 8.242 -3.873 0.00 0.00 WAT1 ATOM 4023 H2 TIP3 660 36.420 6.856 -3.460 0.00 0.00 WAT1 ATOM 4024 OH2 TIP3 661 26.147 2.615 -9.160 0.00 0.00 WAT1 ATOM 4025 H1 TIP3 661 25.286 2.528 -9.568 0.00 0.00 WAT1 ATOM 4026 H2 TIP3 661 26.125 3.471 -8.733 0.00 0.00 WAT1 ATOM 4027 OH2 TIP3 662 30.810 2.337 -5.786 0.00 0.00 WAT1 ATOM 4028 H1 TIP3 662 31.230 1.922 -5.033 0.00 0.00 WAT1 ATOM 4029 H2 TIP3 662 29.877 2.159 -5.669 0.00 0.00 WAT1 ATOM 4030 OH2 TIP3 663 34.136 6.093 -4.932 0.00 0.00 WAT1 ATOM 4031 H1 TIP3 663 33.622 5.967 -4.135 0.00 0.00 WAT1 ATOM 4032 H2 TIP3 663 33.981 7.005 -5.177 0.00 0.00 WAT1 ATOM 4033 OH2 TIP3 664 34.899 10.954 -19.171 0.00 0.00 WAT1 ATOM 4034 H1 TIP3 664 34.941 10.731 -20.101 0.00 0.00 WAT1 ATOM 4035 H2 TIP3 664 35.748 11.352 -18.981 0.00 0.00 WAT1 ATOM 4036 OH2 TIP3 665 31.771 8.218 -14.336 0.00 0.00 WAT1 ATOM 4037 H1 TIP3 665 31.362 9.033 -14.628 0.00 0.00 WAT1 ATOM 4038 H2 TIP3 665 32.491 8.078 -14.951 0.00 0.00 WAT1 ATOM 4039 OH2 TIP3 666 32.775 7.664 -11.522 0.00 0.00 WAT1 ATOM 4040 H1 TIP3 666 32.580 8.269 -12.237 0.00 0.00 WAT1 ATOM 4041 H2 TIP3 666 32.957 6.830 -11.957 0.00 0.00 WAT1 ATOM 4042 OH2 TIP3 667 33.222 4.464 -8.803 0.00 0.00 WAT1 ATOM 4043 H1 TIP3 667 32.545 4.595 -8.139 0.00 0.00 WAT1 ATOM 4044 H2 TIP3 667 32.736 4.309 -9.613 0.00 0.00 WAT1 ATOM 4045 OH2 TIP3 668 36.457 11.751 -7.295 0.00 0.00 WAT1 ATOM 4046 H1 TIP3 668 37.099 12.208 -7.838 0.00 0.00 WAT1 ATOM 4047 H2 TIP3 668 35.627 11.864 -7.757 0.00 0.00 WAT1 ATOM 4048 OH2 TIP3 669 33.205 5.432 -17.882 0.00 0.00 WAT1 ATOM 4049 H1 TIP3 669 32.267 5.544 -18.033 0.00 0.00 WAT1 ATOM 4050 H2 TIP3 669 33.502 6.289 -17.576 0.00 0.00 WAT1 ATOM 4051 OH2 TIP3 670 38.772 13.309 -3.690 0.00 0.00 WAT1 ATOM 4052 H1 TIP3 670 37.920 13.547 -4.057 0.00 0.00 WAT1 ATOM 4053 H2 TIP3 670 39.362 13.292 -4.443 0.00 0.00 WAT1 ATOM 4054 OH2 TIP3 671 34.496 14.271 -18.241 0.00 0.00 WAT1 ATOM 4055 H1 TIP3 671 34.849 13.891 -17.437 0.00 0.00 WAT1 ATOM 4056 H2 TIP3 671 33.547 14.178 -18.155 0.00 0.00 WAT1 ATOM 4057 OH2 TIP3 672 35.362 12.944 -16.015 0.00 0.00 WAT1 ATOM 4058 H1 TIP3 672 35.085 12.216 -15.459 0.00 0.00 WAT1 ATOM 4059 H2 TIP3 672 36.289 13.063 -15.809 0.00 0.00 WAT1 ATOM 4060 OH2 TIP3 673 32.593 4.520 -15.452 0.00 0.00 WAT1 ATOM 4061 H1 TIP3 673 32.813 4.992 -16.255 0.00 0.00 WAT1 ATOM 4062 H2 TIP3 673 33.151 4.915 -14.781 0.00 0.00 WAT1 ATOM 4063 OH2 TIP3 674 29.793 6.248 -14.617 0.00 0.00 WAT1 ATOM 4064 H1 TIP3 674 30.605 6.752 -14.571 0.00 0.00 WAT1 ATOM 4065 H2 TIP3 674 29.548 6.103 -13.703 0.00 0.00 WAT1 ATOM 4066 OH2 TIP3 675 30.677 3.329 -13.679 0.00 0.00 WAT1 ATOM 4067 H1 TIP3 675 30.330 3.947 -13.034 0.00 0.00 WAT1 ATOM 4068 H2 TIP3 675 31.335 3.830 -14.160 0.00 0.00 WAT1 ATOM 4069 OH2 TIP3 676 36.533 5.141 -4.597 0.00 0.00 WAT1 ATOM 4070 H1 TIP3 676 35.617 5.404 -4.685 0.00 0.00 WAT1 ATOM 4071 H2 TIP3 676 36.869 5.138 -5.494 0.00 0.00 WAT1 ATOM 4072 OH2 TIP3 677 35.135 8.892 -10.501 0.00 0.00 WAT1 ATOM 4073 H1 TIP3 677 34.338 8.477 -10.830 0.00 0.00 WAT1 ATOM 4074 H2 TIP3 677 35.580 8.201 -10.010 0.00 0.00 WAT1 ATOM 4075 OH2 TIP3 678 37.794 11.543 -19.551 0.00 0.00 WAT1 ATOM 4076 H1 TIP3 678 37.521 11.118 -20.364 0.00 0.00 WAT1 ATOM 4077 H2 TIP3 678 37.834 12.474 -19.768 0.00 0.00 WAT1 ATOM 4078 OH2 TIP3 679 28.180 2.019 -5.896 0.00 0.00 WAT1 ATOM 4079 H1 TIP3 679 28.082 2.966 -6.002 0.00 0.00 WAT1 ATOM 4080 H2 TIP3 679 27.437 1.647 -6.372 0.00 0.00 WAT1 ATOM 4081 OH2 TIP3 680 33.794 4.102 -1.252 0.00 0.00 WAT1 ATOM 4082 H1 TIP3 680 33.697 3.150 -1.258 0.00 0.00 WAT1 ATOM 4083 H2 TIP3 680 33.472 4.371 -0.391 0.00 0.00 WAT1 ATOM 4084 OH2 TIP3 681 28.402 1.313 -3.225 0.00 0.00 WAT1 ATOM 4085 H1 TIP3 681 29.114 0.673 -3.239 0.00 0.00 WAT1 ATOM 4086 H2 TIP3 681 28.301 1.580 -4.139 0.00 0.00 WAT1 ATOM 4087 OH2 TIP3 682 28.755 2.996 -1.171 0.00 0.00 WAT1 ATOM 4088 H1 TIP3 682 28.624 2.520 -1.992 0.00 0.00 WAT1 ATOM 4089 H2 TIP3 682 28.156 3.740 -1.227 0.00 0.00 WAT1 ATOM 4090 OH2 TIP3 683 38.938 18.798 -8.650 0.00 0.00 WAT1 ATOM 4091 H1 TIP3 683 38.916 18.983 -7.711 0.00 0.00 WAT1 ATOM 4092 H2 TIP3 683 39.628 19.367 -8.991 0.00 0.00 WAT1 ATOM 4093 OH2 TIP3 684 38.253 12.412 -15.576 0.00 0.00 WAT1 ATOM 4094 H1 TIP3 684 39.103 12.833 -15.448 0.00 0.00 WAT1 ATOM 4095 H2 TIP3 684 38.258 11.672 -14.968 0.00 0.00 WAT1 ATOM 4096 OH2 TIP3 685 38.406 13.250 -8.804 0.00 0.00 WAT1 ATOM 4097 H1 TIP3 685 39.240 12.872 -9.085 0.00 0.00 WAT1 ATOM 4098 H2 TIP3 685 38.518 14.193 -8.923 0.00 0.00 WAT1 ATOM 4099 OH2 TIP3 686 38.787 8.859 -2.866 0.00 0.00 WAT1 ATOM 4100 H1 TIP3 686 37.924 8.480 -3.031 0.00 0.00 WAT1 ATOM 4101 H2 TIP3 686 39.391 8.120 -2.940 0.00 0.00 WAT1 ATOM 4102 OH2 TIP3 687 36.512 5.014 -19.693 0.00 0.00 WAT1 ATOM 4103 H1 TIP3 687 37.122 4.642 -19.056 0.00 0.00 WAT1 ATOM 4104 H2 TIP3 687 35.675 4.592 -19.497 0.00 0.00 WAT1 ATOM 4105 OH2 TIP3 688 36.785 7.887 -6.515 0.00 0.00 WAT1 ATOM 4106 H1 TIP3 688 35.942 8.155 -6.149 0.00 0.00 WAT1 ATOM 4107 H2 TIP3 688 37.228 8.709 -6.726 0.00 0.00 WAT1 ATOM 4108 OH2 TIP3 689 39.068 1.867 -1.161 0.00 0.00 WAT1 ATOM 4109 H1 TIP3 689 39.418 1.213 -1.767 0.00 0.00 WAT1 ATOM 4110 H2 TIP3 689 39.215 2.704 -1.601 0.00 0.00 WAT1 ATOM 4111 OH2 TIP3 690 38.588 3.976 -2.812 0.00 0.00 WAT1 ATOM 4112 H1 TIP3 690 37.671 4.247 -2.848 0.00 0.00 WAT1 ATOM 4113 H2 TIP3 690 38.711 3.441 -3.596 0.00 0.00 WAT1 ATOM 4114 OH2 TIP3 691 37.589 2.066 -4.993 0.00 0.00 WAT1 ATOM 4115 H1 TIP3 691 36.776 2.391 -5.381 0.00 0.00 WAT1 ATOM 4116 H2 TIP3 691 37.822 1.306 -5.526 0.00 0.00 WAT1 ATOM 4117 OH2 TIP3 692 31.019 3.515 -10.670 0.00 0.00 WAT1 ATOM 4118 H1 TIP3 692 30.344 2.886 -10.415 0.00 0.00 WAT1 ATOM 4119 H2 TIP3 692 31.583 3.031 -11.273 0.00 0.00 WAT1 ATOM 4120 OH2 TIP3 693 27.925 2.076 -13.035 0.00 0.00 WAT1 ATOM 4121 H1 TIP3 693 28.799 2.464 -13.065 0.00 0.00 WAT1 ATOM 4122 H2 TIP3 693 27.789 1.861 -12.112 0.00 0.00 WAT1 ATOM 4123 OH2 TIP3 694 33.482 2.106 -11.386 0.00 0.00 WAT1 ATOM 4124 H1 TIP3 694 33.558 2.201 -12.335 0.00 0.00 WAT1 ATOM 4125 H2 TIP3 694 33.206 1.198 -11.257 0.00 0.00 WAT1 ATOM 4126 OH2 TIP3 695 34.835 2.132 -15.693 0.00 0.00 WAT1 ATOM 4127 H1 TIP3 695 34.132 2.746 -15.903 0.00 0.00 WAT1 ATOM 4128 H2 TIP3 695 34.390 1.294 -15.562 0.00 0.00 WAT1 ATOM 4129 OH2 TIP3 696 25.276 2.014 -1.795 0.00 0.00 WAT1 ATOM 4130 H1 TIP3 696 26.175 1.740 -1.980 0.00 0.00 WAT1 ATOM 4131 H2 TIP3 696 24.890 1.271 -1.331 0.00 0.00 WAT1 ATOM 4132 OH2 TIP3 697 33.698 1.346 -1.613 0.00 0.00 WAT1 ATOM 4133 H1 TIP3 697 33.774 0.920 -0.759 0.00 0.00 WAT1 ATOM 4134 H2 TIP3 697 34.591 1.360 -1.955 0.00 0.00 WAT1 ATOM 4135 OH2 TIP3 698 26.042 5.488 7.391 0.00 0.00 WAT1 ATOM 4136 H1 TIP3 698 26.085 6.348 6.973 0.00 0.00 WAT1 ATOM 4137 H2 TIP3 698 25.584 4.936 6.758 0.00 0.00 WAT1 ATOM 4138 OH2 TIP3 699 33.764 5.619 5.792 0.00 0.00 WAT1 ATOM 4139 H1 TIP3 699 34.410 5.290 6.417 0.00 0.00 WAT1 ATOM 4140 H2 TIP3 699 34.274 6.137 5.169 0.00 0.00 WAT1 ATOM 4141 OH2 TIP3 700 35.528 4.910 7.773 0.00 0.00 WAT1 ATOM 4142 H1 TIP3 700 35.313 4.144 8.305 0.00 0.00 WAT1 ATOM 4143 H2 TIP3 700 36.184 5.382 8.286 0.00 0.00 WAT1 ATOM 4144 OH2 TIP3 701 28.878 1.712 8.918 0.00 0.00 WAT1 ATOM 4145 H1 TIP3 701 28.761 0.763 8.864 0.00 0.00 WAT1 ATOM 4146 H2 TIP3 701 28.023 2.044 9.191 0.00 0.00 WAT1 ATOM 4147 OH2 TIP3 702 37.120 1.671 1.868 0.00 0.00 WAT1 ATOM 4148 H1 TIP3 702 36.221 1.810 2.163 0.00 0.00 WAT1 ATOM 4149 H2 TIP3 702 37.372 2.502 1.466 0.00 0.00 WAT1 ATOM 4150 OH2 TIP3 703 26.147 2.615 9.696 0.00 0.00 WAT1 ATOM 4151 H1 TIP3 703 25.286 2.528 9.288 0.00 0.00 WAT1 ATOM 4152 H2 TIP3 703 26.125 3.471 10.123 0.00 0.00 WAT1 ATOM 4153 OH2 TIP3 704 30.472 4.830 0.355 0.00 0.00 WAT1 ATOM 4154 H1 TIP3 704 30.218 4.849 1.278 0.00 0.00 WAT1 ATOM 4155 H2 TIP3 704 30.215 3.958 0.054 0.00 0.00 WAT1 ATOM 4156 OH2 TIP3 705 26.235 7.802 5.703 0.00 0.00 WAT1 ATOM 4157 H1 TIP3 705 25.342 7.461 5.644 0.00 0.00 WAT1 ATOM 4158 H2 TIP3 705 26.686 7.425 4.947 0.00 0.00 WAT1 ATOM 4159 OH2 TIP3 706 31.771 8.218 4.520 0.00 0.00 WAT1 ATOM 4160 H1 TIP3 706 31.362 9.033 4.228 0.00 0.00 WAT1 ATOM 4161 H2 TIP3 706 32.491 8.078 3.905 0.00 0.00 WAT1 ATOM 4162 OH2 TIP3 707 32.775 7.664 7.334 0.00 0.00 WAT1 ATOM 4163 H1 TIP3 707 32.580 8.269 6.619 0.00 0.00 WAT1 ATOM 4164 H2 TIP3 707 32.957 6.830 6.899 0.00 0.00 WAT1 ATOM 4165 OH2 TIP3 708 27.354 5.275 -0.544 0.00 0.00 WAT1 ATOM 4166 H1 TIP3 708 26.923 4.830 0.186 0.00 0.00 WAT1 ATOM 4167 H2 TIP3 708 26.636 5.647 -1.056 0.00 0.00 WAT1 ATOM 4168 OH2 TIP3 709 20.596 5.017 6.508 0.00 0.00 WAT1 ATOM 4169 H1 TIP3 709 21.227 4.988 7.228 0.00 0.00 WAT1 ATOM 4170 H2 TIP3 709 21.046 4.592 5.778 0.00 0.00 WAT1 ATOM 4171 OH2 TIP3 710 28.817 5.229 6.789 0.00 0.00 WAT1 ATOM 4172 H1 TIP3 710 27.906 5.286 7.078 0.00 0.00 WAT1 ATOM 4173 H2 TIP3 710 29.322 5.169 7.600 0.00 0.00 WAT1 ATOM 4174 OH2 TIP3 711 27.298 6.858 3.272 0.00 0.00 WAT1 ATOM 4175 H1 TIP3 711 28.230 6.987 3.450 0.00 0.00 WAT1 ATOM 4176 H2 TIP3 711 27.083 7.528 2.623 0.00 0.00 WAT1 ATOM 4177 OH2 TIP3 712 33.222 4.464 10.053 0.00 0.00 WAT1 ATOM 4178 H1 TIP3 712 32.545 4.595 10.717 0.00 0.00 WAT1 ATOM 4179 H2 TIP3 712 32.736 4.309 9.243 0.00 0.00 WAT1 ATOM 4180 OH2 TIP3 713 25.139 4.153 5.094 0.00 0.00 WAT1 ATOM 4181 H1 TIP3 713 24.822 3.251 5.059 0.00 0.00 WAT1 ATOM 4182 H2 TIP3 713 25.920 4.155 4.542 0.00 0.00 WAT1 ATOM 4183 OH2 TIP3 714 33.205 5.432 0.974 0.00 0.00 WAT1 ATOM 4184 H1 TIP3 714 32.267 5.544 0.823 0.00 0.00 WAT1 ATOM 4185 H2 TIP3 714 33.502 6.289 1.280 0.00 0.00 WAT1 ATOM 4186 OH2 TIP3 715 33.923 7.299 2.635 0.00 0.00 WAT1 ATOM 4187 H1 TIP3 715 34.815 7.162 2.954 0.00 0.00 WAT1 ATOM 4188 H2 TIP3 715 33.980 8.090 2.098 0.00 0.00 WAT1 ATOM 4189 OH2 TIP3 716 32.593 4.520 3.404 0.00 0.00 WAT1 ATOM 4190 H1 TIP3 716 32.813 4.992 2.601 0.00 0.00 WAT1 ATOM 4191 H2 TIP3 716 33.151 4.915 4.075 0.00 0.00 WAT1 ATOM 4192 OH2 TIP3 717 29.793 6.248 4.239 0.00 0.00 WAT1 ATOM 4193 H1 TIP3 717 30.605 6.752 4.285 0.00 0.00 WAT1 ATOM 4194 H2 TIP3 717 29.548 6.103 5.153 0.00 0.00 WAT1 ATOM 4195 OH2 TIP3 718 26.334 4.392 1.865 0.00 0.00 WAT1 ATOM 4196 H1 TIP3 718 26.251 5.281 2.211 0.00 0.00 WAT1 ATOM 4197 H2 TIP3 718 27.224 4.127 2.096 0.00 0.00 WAT1 ATOM 4198 OH2 TIP3 719 23.717 2.266 8.714 0.00 0.00 WAT1 ATOM 4199 H1 TIP3 719 23.488 2.325 7.787 0.00 0.00 WAT1 ATOM 4200 H2 TIP3 719 23.274 1.474 9.021 0.00 0.00 WAT1 ATOM 4201 OH2 TIP3 720 36.512 5.014 -0.837 0.00 0.00 WAT1 ATOM 4202 H1 TIP3 720 37.122 4.642 -0.200 0.00 0.00 WAT1 ATOM 4203 H2 TIP3 720 35.675 4.592 -0.641 0.00 0.00 WAT1 ATOM 4204 OH2 TIP3 721 36.144 6.569 4.129 0.00 0.00 WAT1 ATOM 4205 H1 TIP3 721 36.424 5.662 4.254 0.00 0.00 WAT1 ATOM 4206 H2 TIP3 721 36.903 7.003 3.740 0.00 0.00 WAT1 ATOM 4207 OH2 TIP3 722 36.758 3.832 4.178 0.00 0.00 WAT1 ATOM 4208 H1 TIP3 722 36.940 3.383 5.003 0.00 0.00 WAT1 ATOM 4209 H2 TIP3 722 36.158 3.247 3.714 0.00 0.00 WAT1 ATOM 4210 OH2 TIP3 723 22.288 4.647 8.709 0.00 0.00 WAT1 ATOM 4211 H1 TIP3 723 22.733 3.855 9.011 0.00 0.00 WAT1 ATOM 4212 H2 TIP3 723 22.754 5.363 9.140 0.00 0.00 WAT1 ATOM 4213 OH2 TIP3 724 20.905 3.904 3.833 0.00 0.00 WAT1 ATOM 4214 H1 TIP3 724 19.980 4.113 3.703 0.00 0.00 WAT1 ATOM 4215 H2 TIP3 724 21.359 4.388 3.143 0.00 0.00 WAT1 ATOM 4216 OH2 TIP3 725 31.019 3.515 8.186 0.00 0.00 WAT1 ATOM 4217 H1 TIP3 725 30.344 2.886 8.441 0.00 0.00 WAT1 ATOM 4218 H2 TIP3 725 31.583 3.031 7.583 0.00 0.00 WAT1 ATOM 4219 OH2 TIP3 726 36.161 1.622 8.298 0.00 0.00 WAT1 ATOM 4220 H1 TIP3 726 36.765 2.170 7.797 0.00 0.00 WAT1 ATOM 4221 H2 TIP3 726 35.292 1.942 8.058 0.00 0.00 WAT1 ATOM 4222 OH2 TIP3 727 37.888 2.761 6.632 0.00 0.00 WAT1 ATOM 4223 H1 TIP3 727 38.500 2.247 6.105 0.00 0.00 WAT1 ATOM 4224 H2 TIP3 727 38.271 3.639 6.655 0.00 0.00 WAT1 ATOM 4225 OH2 TIP3 728 23.345 2.149 6.008 0.00 0.00 WAT1 ATOM 4226 H1 TIP3 728 22.568 1.915 5.500 0.00 0.00 WAT1 ATOM 4227 H2 TIP3 728 23.876 1.352 6.016 0.00 0.00 WAT1 ATOM 4228 OH2 TIP3 729 22.182 1.947 1.811 0.00 0.00 WAT1 ATOM 4229 H1 TIP3 729 22.621 2.558 1.220 0.00 0.00 WAT1 ATOM 4230 H2 TIP3 729 21.548 2.485 2.285 0.00 0.00 WAT1 ATOM 4231 OH2 TIP3 730 33.482 2.106 7.470 0.00 0.00 WAT1 ATOM 4232 H1 TIP3 730 33.558 2.201 6.521 0.00 0.00 WAT1 ATOM 4233 H2 TIP3 730 33.206 1.198 7.599 0.00 0.00 WAT1 ATOM 4234 OH2 TIP3 731 34.835 2.132 3.163 0.00 0.00 WAT1 ATOM 4235 H1 TIP3 731 34.132 2.746 2.953 0.00 0.00 WAT1 ATOM 4236 H2 TIP3 731 34.390 1.294 3.294 0.00 0.00 WAT1 ATOM 4237 OH2 TIP3 732 24.043 3.863 0.254 0.00 0.00 WAT1 ATOM 4238 H1 TIP3 732 24.534 3.233 -0.274 0.00 0.00 WAT1 ATOM 4239 H2 TIP3 732 24.666 4.159 0.917 0.00 0.00 WAT1 ATOM 4240 OH2 TIP3 733 46.299 -23.155 -41.965 0.00 0.00 WAT1 ATOM 4241 H1 TIP3 733 45.987 -22.373 -41.509 0.00 0.00 WAT1 ATOM 4242 H2 TIP3 733 45.649 -23.308 -42.651 0.00 0.00 WAT1 ATOM 4243 OH2 TIP3 734 44.538 -21.083 -41.201 0.00 0.00 WAT1 ATOM 4244 H1 TIP3 734 44.546 -21.219 -42.149 0.00 0.00 WAT1 ATOM 4245 H2 TIP3 734 43.622 -21.201 -40.949 0.00 0.00 WAT1 ATOM 4246 OH2 TIP3 735 49.062 -21.870 -42.469 0.00 0.00 WAT1 ATOM 4247 H1 TIP3 735 49.149 -21.044 -41.994 0.00 0.00 WAT1 ATOM 4248 H2 TIP3 735 48.198 -22.200 -42.220 0.00 0.00 WAT1 ATOM 4249 OH2 TIP3 736 43.130 -19.309 -50.882 0.00 0.00 WAT1 ATOM 4250 H1 TIP3 736 43.282 -19.657 -50.003 0.00 0.00 WAT1 ATOM 4251 H2 TIP3 736 42.279 -19.665 -51.137 0.00 0.00 WAT1 ATOM 4252 OH2 TIP3 737 55.365 -17.576 -40.238 0.00 0.00 WAT1 ATOM 4253 H1 TIP3 737 55.565 -17.152 -41.073 0.00 0.00 WAT1 ATOM 4254 H2 TIP3 737 56.021 -17.233 -39.631 0.00 0.00 WAT1 ATOM 4255 OH2 TIP3 738 47.605 -20.469 -44.728 0.00 0.00 WAT1 ATOM 4256 H1 TIP3 738 47.968 -19.614 -44.961 0.00 0.00 WAT1 ATOM 4257 H2 TIP3 738 48.137 -20.761 -43.987 0.00 0.00 WAT1 ATOM 4258 OH2 TIP3 739 45.774 -19.596 -51.498 0.00 0.00 WAT1 ATOM 4259 H1 TIP3 739 44.824 -19.491 -51.446 0.00 0.00 WAT1 ATOM 4260 H2 TIP3 739 46.125 -18.776 -51.153 0.00 0.00 WAT1 ATOM 4261 OH2 TIP3 740 53.808 -19.818 -42.558 0.00 0.00 WAT1 ATOM 4262 H1 TIP3 740 53.206 -20.373 -43.053 0.00 0.00 WAT1 ATOM 4263 H2 TIP3 740 54.089 -19.151 -43.184 0.00 0.00 WAT1 ATOM 4264 OH2 TIP3 741 41.581 -20.780 -44.716 0.00 0.00 WAT1 ATOM 4265 H1 TIP3 741 41.798 -21.712 -44.747 0.00 0.00 WAT1 ATOM 4266 H2 TIP3 741 41.828 -20.506 -43.832 0.00 0.00 WAT1 ATOM 4267 OH2 TIP3 742 40.792 -18.893 -40.363 0.00 0.00 WAT1 ATOM 4268 H1 TIP3 742 41.332 -19.110 -39.604 0.00 0.00 WAT1 ATOM 4269 H2 TIP3 742 40.311 -19.699 -40.553 0.00 0.00 WAT1 ATOM 4270 OH2 TIP3 743 51.966 -21.594 -40.014 0.00 0.00 WAT1 ATOM 4271 H1 TIP3 743 51.615 -22.450 -39.771 0.00 0.00 WAT1 ATOM 4272 H2 TIP3 743 52.692 -21.451 -39.407 0.00 0.00 WAT1 ATOM 4273 OH2 TIP3 744 40.245 -19.723 -49.342 0.00 0.00 WAT1 ATOM 4274 H1 TIP3 744 39.911 -20.604 -49.170 0.00 0.00 WAT1 ATOM 4275 H2 TIP3 744 40.467 -19.378 -48.478 0.00 0.00 WAT1 ATOM 4276 OH2 TIP3 745 41.917 -21.895 -40.247 0.00 0.00 WAT1 ATOM 4277 H1 TIP3 745 41.096 -21.720 -40.707 0.00 0.00 WAT1 ATOM 4278 H2 TIP3 745 41.665 -21.968 -39.326 0.00 0.00 WAT1 ATOM 4279 OH2 TIP3 746 44.871 -20.920 -43.988 0.00 0.00 WAT1 ATOM 4280 H1 TIP3 746 44.446 -20.111 -44.271 0.00 0.00 WAT1 ATOM 4281 H2 TIP3 746 45.776 -20.835 -44.290 0.00 0.00 WAT1 ATOM 4282 OH2 TIP3 747 49.182 -19.521 -41.029 0.00 0.00 WAT1 ATOM 4283 H1 TIP3 747 49.367 -19.855 -40.151 0.00 0.00 WAT1 ATOM 4284 H2 TIP3 747 50.029 -19.212 -41.351 0.00 0.00 WAT1 ATOM 4285 OH2 TIP3 748 51.527 -18.236 -41.785 0.00 0.00 WAT1 ATOM 4286 H1 TIP3 748 52.204 -18.868 -42.025 0.00 0.00 WAT1 ATOM 4287 H2 TIP3 748 51.849 -17.834 -40.977 0.00 0.00 WAT1 ATOM 4288 OH2 TIP3 749 42.273 -17.664 -43.941 0.00 0.00 WAT1 ATOM 4289 H1 TIP3 749 41.553 -17.224 -44.392 0.00 0.00 WAT1 ATOM 4290 H2 TIP3 749 41.907 -17.915 -43.092 0.00 0.00 WAT1 ATOM 4291 OH2 TIP3 750 49.451 -18.176 -45.735 0.00 0.00 WAT1 ATOM 4292 H1 TIP3 750 48.994 -17.647 -46.389 0.00 0.00 WAT1 ATOM 4293 H2 TIP3 750 49.614 -17.573 -45.010 0.00 0.00 WAT1 ATOM 4294 OH2 TIP3 751 51.778 -19.298 -44.790 0.00 0.00 WAT1 ATOM 4295 H1 TIP3 751 50.874 -19.133 -45.056 0.00 0.00 WAT1 ATOM 4296 H2 TIP3 751 52.207 -18.445 -44.856 0.00 0.00 WAT1 ATOM 4297 OH2 TIP3 752 54.383 -17.728 -44.495 0.00 0.00 WAT1 ATOM 4298 H1 TIP3 752 54.201 -16.812 -44.706 0.00 0.00 WAT1 ATOM 4299 H2 TIP3 752 54.559 -18.138 -45.342 0.00 0.00 WAT1 ATOM 4300 OH2 TIP3 753 41.688 -19.041 -47.030 0.00 0.00 WAT1 ATOM 4301 H1 TIP3 753 41.669 -19.466 -46.173 0.00 0.00 WAT1 ATOM 4302 H2 TIP3 753 42.493 -19.359 -47.439 0.00 0.00 WAT1 ATOM 4303 OH2 TIP3 754 43.829 -20.331 -48.375 0.00 0.00 WAT1 ATOM 4304 H1 TIP3 754 43.610 -21.247 -48.206 0.00 0.00 WAT1 ATOM 4305 H2 TIP3 754 44.653 -20.191 -47.909 0.00 0.00 WAT1 ATOM 4306 OH2 TIP3 755 46.366 -19.861 -47.527 0.00 0.00 WAT1 ATOM 4307 H1 TIP3 755 46.579 -20.749 -47.814 0.00 0.00 WAT1 ATOM 4308 H2 TIP3 755 46.431 -19.895 -46.572 0.00 0.00 WAT1 ATOM 4309 OH2 TIP3 756 55.730 -20.293 -40.632 0.00 0.00 WAT1 ATOM 4310 H1 TIP3 756 54.948 -20.479 -41.152 0.00 0.00 WAT1 ATOM 4311 H2 TIP3 756 55.658 -19.364 -40.415 0.00 0.00 WAT1 ATOM 4312 OH2 TIP3 757 43.505 -23.087 -28.199 0.00 0.00 WAT1 ATOM 4313 H1 TIP3 757 43.135 -23.889 -28.568 0.00 0.00 WAT1 ATOM 4314 H2 TIP3 757 44.446 -23.256 -28.152 0.00 0.00 WAT1 ATOM 4315 OH2 TIP3 758 51.030 -19.108 -29.813 0.00 0.00 WAT1 ATOM 4316 H1 TIP3 758 51.650 -19.785 -30.086 0.00 0.00 WAT1 ATOM 4317 H2 TIP3 758 50.822 -19.326 -28.905 0.00 0.00 WAT1 ATOM 4318 OH2 TIP3 759 48.602 -24.719 -27.921 0.00 0.00 WAT1 ATOM 4319 H1 TIP3 759 48.906 -25.405 -28.515 0.00 0.00 WAT1 ATOM 4320 H2 TIP3 759 49.324 -24.601 -27.303 0.00 0.00 WAT1 ATOM 4321 OH2 TIP3 760 51.077 -23.806 -32.703 0.00 0.00 WAT1 ATOM 4322 H1 TIP3 760 50.781 -24.128 -33.554 0.00 0.00 WAT1 ATOM 4323 H2 TIP3 760 50.753 -22.906 -32.661 0.00 0.00 WAT1 ATOM 4324 OH2 TIP3 761 44.685 -23.666 -25.172 0.00 0.00 WAT1 ATOM 4325 H1 TIP3 761 44.679 -22.787 -25.550 0.00 0.00 WAT1 ATOM 4326 H2 TIP3 761 43.831 -23.749 -24.747 0.00 0.00 WAT1 ATOM 4327 OH2 TIP3 762 52.683 -20.592 -31.052 0.00 0.00 WAT1 ATOM 4328 H1 TIP3 762 53.108 -21.299 -31.537 0.00 0.00 WAT1 ATOM 4329 H2 TIP3 762 53.000 -19.791 -31.469 0.00 0.00 WAT1 ATOM 4330 OH2 TIP3 763 53.842 -22.691 -32.543 0.00 0.00 WAT1 ATOM 4331 H1 TIP3 763 53.585 -23.381 -33.155 0.00 0.00 WAT1 ATOM 4332 H2 TIP3 763 53.913 -23.134 -31.698 0.00 0.00 WAT1 ATOM 4333 OH2 TIP3 764 46.419 -22.895 -28.778 0.00 0.00 WAT1 ATOM 4334 H1 TIP3 764 46.324 -23.473 -29.535 0.00 0.00 WAT1 ATOM 4335 H2 TIP3 764 47.148 -23.266 -28.282 0.00 0.00 WAT1 ATOM 4336 OH2 TIP3 765 51.728 -22.051 -27.092 0.00 0.00 WAT1 ATOM 4337 H1 TIP3 765 51.487 -21.389 -26.444 0.00 0.00 WAT1 ATOM 4338 H2 TIP3 765 51.530 -22.885 -26.667 0.00 0.00 WAT1 ATOM 4339 OH2 TIP3 766 46.299 -23.155 -23.109 0.00 0.00 WAT1 ATOM 4340 H1 TIP3 766 45.987 -22.373 -22.653 0.00 0.00 WAT1 ATOM 4341 H2 TIP3 766 45.649 -23.308 -23.795 0.00 0.00 WAT1 ATOM 4342 OH2 TIP3 767 50.004 -21.054 -32.222 0.00 0.00 WAT1 ATOM 4343 H1 TIP3 767 50.478 -20.759 -31.444 0.00 0.00 WAT1 ATOM 4344 H2 TIP3 767 49.441 -20.316 -32.455 0.00 0.00 WAT1 ATOM 4345 OH2 TIP3 768 44.538 -21.083 -22.345 0.00 0.00 WAT1 ATOM 4346 H1 TIP3 768 44.546 -21.219 -23.293 0.00 0.00 WAT1 ATOM 4347 H2 TIP3 768 43.622 -21.201 -22.093 0.00 0.00 WAT1 ATOM 4348 OH2 TIP3 769 57.166 -21.675 -37.467 0.00 0.00 WAT1 ATOM 4349 H1 TIP3 769 57.239 -20.736 -37.297 0.00 0.00 WAT1 ATOM 4350 H2 TIP3 769 58.071 -21.980 -37.524 0.00 0.00 WAT1 ATOM 4351 OH2 TIP3 770 39.886 -22.110 -28.171 0.00 0.00 WAT1 ATOM 4352 H1 TIP3 770 40.832 -22.254 -28.190 0.00 0.00 WAT1 ATOM 4353 H2 TIP3 770 39.773 -21.326 -27.634 0.00 0.00 WAT1 ATOM 4354 OH2 TIP3 771 58.083 -21.444 -22.489 0.00 0.00 WAT1 ATOM 4355 H1 TIP3 771 58.034 -22.399 -22.526 0.00 0.00 WAT1 ATOM 4356 H2 TIP3 771 57.257 -21.176 -22.087 0.00 0.00 WAT1 ATOM 4357 OH2 TIP3 772 49.062 -21.870 -23.613 0.00 0.00 WAT1 ATOM 4358 H1 TIP3 772 49.149 -21.044 -23.138 0.00 0.00 WAT1 ATOM 4359 H2 TIP3 772 48.198 -22.200 -23.364 0.00 0.00 WAT1 ATOM 4360 OH2 TIP3 773 43.288 -25.799 -29.168 0.00 0.00 WAT1 ATOM 4361 H1 TIP3 773 44.033 -25.801 -29.769 0.00 0.00 WAT1 ATOM 4362 H2 TIP3 773 43.366 -26.623 -28.686 0.00 0.00 WAT1 ATOM 4363 OH2 TIP3 774 50.289 -23.635 -35.912 0.00 0.00 WAT1 ATOM 4364 H1 TIP3 774 49.994 -22.809 -35.530 0.00 0.00 WAT1 ATOM 4365 H2 TIP3 774 49.586 -24.255 -35.716 0.00 0.00 WAT1 ATOM 4366 OH2 TIP3 775 51.933 -22.448 -23.750 0.00 0.00 WAT1 ATOM 4367 H1 TIP3 775 51.032 -22.265 -24.018 0.00 0.00 WAT1 ATOM 4368 H2 TIP3 775 51.967 -22.189 -22.829 0.00 0.00 WAT1 ATOM 4369 OH2 TIP3 776 55.960 -21.417 -34.918 0.00 0.00 WAT1 ATOM 4370 H1 TIP3 776 55.587 -22.243 -34.608 0.00 0.00 WAT1 ATOM 4371 H2 TIP3 776 56.237 -21.600 -35.815 0.00 0.00 WAT1 ATOM 4372 OH2 TIP3 777 45.663 -22.281 -31.763 0.00 0.00 WAT1 ATOM 4373 H1 TIP3 777 46.190 -21.508 -31.964 0.00 0.00 WAT1 ATOM 4374 H2 TIP3 777 44.783 -22.056 -32.065 0.00 0.00 WAT1 ATOM 4375 OH2 TIP3 778 47.090 -24.618 -32.187 0.00 0.00 WAT1 ATOM 4376 H1 TIP3 778 46.849 -23.693 -32.145 0.00 0.00 WAT1 ATOM 4377 H2 TIP3 778 46.350 -25.077 -31.791 0.00 0.00 WAT1 ATOM 4378 OH2 TIP3 779 47.605 -20.469 -25.872 0.00 0.00 WAT1 ATOM 4379 H1 TIP3 779 47.968 -19.614 -26.105 0.00 0.00 WAT1 ATOM 4380 H2 TIP3 779 48.137 -20.761 -25.131 0.00 0.00 WAT1 ATOM 4381 OH2 TIP3 780 53.352 -23.441 -37.097 0.00 0.00 WAT1 ATOM 4382 H1 TIP3 780 53.705 -23.821 -36.293 0.00 0.00 WAT1 ATOM 4383 H2 TIP3 780 52.403 -23.534 -37.011 0.00 0.00 WAT1 ATOM 4384 OH2 TIP3 781 53.808 -19.818 -23.702 0.00 0.00 WAT1 ATOM 4385 H1 TIP3 781 53.206 -20.373 -24.197 0.00 0.00 WAT1 ATOM 4386 H2 TIP3 781 54.089 -19.151 -24.328 0.00 0.00 WAT1 ATOM 4387 OH2 TIP3 782 57.856 -18.961 -36.896 0.00 0.00 WAT1 ATOM 4388 H1 TIP3 782 58.599 -18.375 -37.036 0.00 0.00 WAT1 ATOM 4389 H2 TIP3 782 57.161 -18.393 -36.563 0.00 0.00 WAT1 ATOM 4390 OH2 TIP3 783 41.581 -20.780 -25.860 0.00 0.00 WAT1 ATOM 4391 H1 TIP3 783 41.798 -21.712 -25.891 0.00 0.00 WAT1 ATOM 4392 H2 TIP3 783 41.828 -20.506 -24.976 0.00 0.00 WAT1 ATOM 4393 OH2 TIP3 784 47.443 -22.329 -38.650 0.00 0.00 WAT1 ATOM 4394 H1 TIP3 784 47.682 -23.077 -39.198 0.00 0.00 WAT1 ATOM 4395 H2 TIP3 784 47.174 -22.717 -37.818 0.00 0.00 WAT1 ATOM 4396 OH2 TIP3 785 46.380 -22.759 -36.194 0.00 0.00 WAT1 ATOM 4397 H1 TIP3 785 46.527 -23.279 -35.404 0.00 0.00 WAT1 ATOM 4398 H2 TIP3 785 46.377 -21.852 -35.888 0.00 0.00 WAT1 ATOM 4399 OH2 TIP3 786 49.118 -21.061 -35.445 0.00 0.00 WAT1 ATOM 4400 H1 TIP3 786 48.301 -20.564 -35.392 0.00 0.00 WAT1 ATOM 4401 H2 TIP3 786 49.647 -20.586 -36.085 0.00 0.00 WAT1 ATOM 4402 OH2 TIP3 787 46.456 -20.018 -35.463 0.00 0.00 WAT1 ATOM 4403 H1 TIP3 787 46.617 -19.218 -35.964 0.00 0.00 WAT1 ATOM 4404 H2 TIP3 787 46.259 -19.711 -34.578 0.00 0.00 WAT1 ATOM 4405 OH2 TIP3 788 43.449 -22.892 -36.787 0.00 0.00 WAT1 ATOM 4406 H1 TIP3 788 44.041 -22.193 -36.511 0.00 0.00 WAT1 ATOM 4407 H2 TIP3 788 43.908 -23.325 -37.506 0.00 0.00 WAT1 ATOM 4408 OH2 TIP3 789 55.078 -19.564 -27.735 0.00 0.00 WAT1 ATOM 4409 H1 TIP3 789 54.922 -18.886 -28.392 0.00 0.00 WAT1 ATOM 4410 H2 TIP3 789 56.010 -19.492 -27.532 0.00 0.00 WAT1 ATOM 4411 OH2 TIP3 790 41.503 -21.506 -32.837 0.00 0.00 WAT1 ATOM 4412 H1 TIP3 790 40.671 -21.033 -32.810 0.00 0.00 WAT1 ATOM 4413 H2 TIP3 790 42.049 -20.996 -33.436 0.00 0.00 WAT1 ATOM 4414 OH2 TIP3 791 40.792 -18.893 -21.507 0.00 0.00 WAT1 ATOM 4415 H1 TIP3 791 41.332 -19.110 -20.748 0.00 0.00 WAT1 ATOM 4416 H2 TIP3 791 40.311 -19.699 -21.697 0.00 0.00 WAT1 ATOM 4417 OH2 TIP3 792 45.389 -19.974 -19.887 0.00 0.00 WAT1 ATOM 4418 H1 TIP3 792 46.157 -20.433 -19.546 0.00 0.00 WAT1 ATOM 4419 H2 TIP3 792 45.368 -20.200 -20.817 0.00 0.00 WAT1 ATOM 4420 OH2 TIP3 793 49.481 -20.466 -38.512 0.00 0.00 WAT1 ATOM 4421 H1 TIP3 793 48.837 -21.097 -38.190 0.00 0.00 WAT1 ATOM 4422 H2 TIP3 793 50.243 -20.997 -38.744 0.00 0.00 WAT1 ATOM 4423 OH2 TIP3 794 51.966 -21.594 -21.158 0.00 0.00 WAT1 ATOM 4424 H1 TIP3 794 51.615 -22.450 -20.915 0.00 0.00 WAT1 ATOM 4425 H2 TIP3 794 52.692 -21.451 -20.551 0.00 0.00 WAT1 ATOM 4426 OH2 TIP3 795 54.085 -20.649 -38.278 0.00 0.00 WAT1 ATOM 4427 H1 TIP3 795 54.368 -21.443 -37.825 0.00 0.00 WAT1 ATOM 4428 H2 TIP3 795 54.825 -20.416 -38.839 0.00 0.00 WAT1 ATOM 4429 OH2 TIP3 796 45.040 -24.739 -38.421 0.00 0.00 WAT1 ATOM 4430 H1 TIP3 796 45.104 -25.533 -37.890 0.00 0.00 WAT1 ATOM 4431 H2 TIP3 796 45.693 -24.858 -39.110 0.00 0.00 WAT1 ATOM 4432 OH2 TIP3 797 50.392 -23.692 -38.685 0.00 0.00 WAT1 ATOM 4433 H1 TIP3 797 50.124 -23.512 -37.784 0.00 0.00 WAT1 ATOM 4434 H2 TIP3 797 50.186 -24.618 -38.816 0.00 0.00 WAT1 ATOM 4435 OH2 TIP3 798 40.726 -23.197 -37.368 0.00 0.00 WAT1 ATOM 4436 H1 TIP3 798 41.640 -23.118 -37.095 0.00 0.00 WAT1 ATOM 4437 H2 TIP3 798 40.733 -23.884 -38.035 0.00 0.00 WAT1 ATOM 4438 OH2 TIP3 799 39.375 -17.804 -32.291 0.00 0.00 WAT1 ATOM 4439 H1 TIP3 799 38.728 -18.266 -32.824 0.00 0.00 WAT1 ATOM 4440 H2 TIP3 799 39.730 -18.476 -31.708 0.00 0.00 WAT1 ATOM 4441 OH2 TIP3 800 40.245 -19.723 -30.486 0.00 0.00 WAT1 ATOM 4442 H1 TIP3 800 39.911 -20.604 -30.314 0.00 0.00 WAT1 ATOM 4443 H2 TIP3 800 40.467 -19.378 -29.622 0.00 0.00 WAT1 ATOM 4444 OH2 TIP3 801 57.794 -18.914 -27.506 0.00 0.00 WAT1 ATOM 4445 H1 TIP3 801 57.772 -18.729 -26.567 0.00 0.00 WAT1 ATOM 4446 H2 TIP3 801 58.484 -18.345 -27.847 0.00 0.00 WAT1 ATOM 4447 OH2 TIP3 802 57.357 -19.347 -24.584 0.00 0.00 WAT1 ATOM 4448 H1 TIP3 802 56.870 -20.082 -24.955 0.00 0.00 WAT1 ATOM 4449 H2 TIP3 802 57.906 -19.740 -23.906 0.00 0.00 WAT1 ATOM 4450 OH2 TIP3 803 55.749 -21.584 -25.353 0.00 0.00 WAT1 ATOM 4451 H1 TIP3 803 55.101 -21.259 -24.728 0.00 0.00 WAT1 ATOM 4452 H2 TIP3 803 55.231 -22.024 -26.028 0.00 0.00 WAT1 ATOM 4453 OH2 TIP3 804 54.532 -18.824 -31.934 0.00 0.00 WAT1 ATOM 4454 H1 TIP3 804 55.185 -19.171 -32.542 0.00 0.00 WAT1 ATOM 4455 H2 TIP3 804 55.043 -18.335 -31.288 0.00 0.00 WAT1 ATOM 4456 OH2 TIP3 805 41.917 -21.895 -21.391 0.00 0.00 WAT1 ATOM 4457 H1 TIP3 805 41.096 -21.720 -21.851 0.00 0.00 WAT1 ATOM 4458 H2 TIP3 805 41.665 -21.968 -20.470 0.00 0.00 WAT1 ATOM 4459 OH2 TIP3 806 44.871 -20.920 -25.132 0.00 0.00 WAT1 ATOM 4460 H1 TIP3 806 44.446 -20.111 -25.415 0.00 0.00 WAT1 ATOM 4461 H2 TIP3 806 45.776 -20.835 -25.434 0.00 0.00 WAT1 ATOM 4462 OH2 TIP3 807 49.182 -19.521 -22.173 0.00 0.00 WAT1 ATOM 4463 H1 TIP3 807 49.367 -19.855 -21.295 0.00 0.00 WAT1 ATOM 4464 H2 TIP3 807 50.029 -19.212 -22.495 0.00 0.00 WAT1 ATOM 4465 OH2 TIP3 808 51.527 -18.236 -22.929 0.00 0.00 WAT1 ATOM 4466 H1 TIP3 808 52.204 -18.868 -23.169 0.00 0.00 WAT1 ATOM 4467 H2 TIP3 808 51.849 -17.834 -22.121 0.00 0.00 WAT1 ATOM 4468 OH2 TIP3 809 42.273 -17.664 -25.085 0.00 0.00 WAT1 ATOM 4469 H1 TIP3 809 41.553 -17.224 -25.536 0.00 0.00 WAT1 ATOM 4470 H2 TIP3 809 41.907 -17.915 -24.236 0.00 0.00 WAT1 ATOM 4471 OH2 TIP3 810 51.778 -19.298 -25.934 0.00 0.00 WAT1 ATOM 4472 H1 TIP3 810 50.874 -19.133 -26.200 0.00 0.00 WAT1 ATOM 4473 H2 TIP3 810 52.207 -18.445 -26.000 0.00 0.00 WAT1 ATOM 4474 OH2 TIP3 811 40.939 -19.817 -35.003 0.00 0.00 WAT1 ATOM 4475 H1 TIP3 811 40.254 -19.855 -35.671 0.00 0.00 WAT1 ATOM 4476 H2 TIP3 811 40.942 -18.904 -34.715 0.00 0.00 WAT1 ATOM 4477 OH2 TIP3 812 56.512 -19.044 -33.926 0.00 0.00 WAT1 ATOM 4478 H1 TIP3 812 56.318 -19.792 -34.491 0.00 0.00 WAT1 ATOM 4479 H2 TIP3 812 56.473 -18.286 -34.510 0.00 0.00 WAT1 ATOM 4480 OH2 TIP3 813 55.730 -20.293 -21.776 0.00 0.00 WAT1 ATOM 4481 H1 TIP3 813 54.948 -20.479 -22.296 0.00 0.00 WAT1 ATOM 4482 H2 TIP3 813 55.658 -19.364 -21.559 0.00 0.00 WAT1 ATOM 4483 OH2 TIP3 814 42.581 -27.537 -7.878 0.00 0.00 WAT1 ATOM 4484 H1 TIP3 814 42.623 -28.163 -7.154 0.00 0.00 WAT1 ATOM 4485 H2 TIP3 814 43.284 -26.914 -7.696 0.00 0.00 WAT1 ATOM 4486 OH2 TIP3 815 40.115 -29.427 -13.950 0.00 0.00 WAT1 ATOM 4487 H1 TIP3 815 39.667 -28.581 -13.968 0.00 0.00 WAT1 ATOM 4488 H2 TIP3 815 39.554 -30.007 -14.465 0.00 0.00 WAT1 ATOM 4489 OH2 TIP3 816 40.825 -27.265 -11.824 0.00 0.00 WAT1 ATOM 4490 H1 TIP3 816 41.039 -28.035 -11.297 0.00 0.00 WAT1 ATOM 4491 H2 TIP3 816 41.563 -27.176 -12.427 0.00 0.00 WAT1 ATOM 4492 OH2 TIP3 817 51.030 -19.108 -10.957 0.00 0.00 WAT1 ATOM 4493 H1 TIP3 817 51.650 -19.785 -11.230 0.00 0.00 WAT1 ATOM 4494 H2 TIP3 817 50.822 -19.326 -10.049 0.00 0.00 WAT1 ATOM 4495 OH2 TIP3 818 48.602 -24.719 -9.065 0.00 0.00 WAT1 ATOM 4496 H1 TIP3 818 48.906 -25.405 -9.659 0.00 0.00 WAT1 ATOM 4497 H2 TIP3 818 49.324 -24.601 -8.447 0.00 0.00 WAT1 ATOM 4498 OH2 TIP3 819 41.518 -29.827 -10.703 0.00 0.00 WAT1 ATOM 4499 H1 TIP3 819 42.172 -30.377 -10.271 0.00 0.00 WAT1 ATOM 4500 H2 TIP3 819 41.542 -30.101 -11.619 0.00 0.00 WAT1 ATOM 4501 OH2 TIP3 820 51.077 -23.806 -13.847 0.00 0.00 WAT1 ATOM 4502 H1 TIP3 820 50.781 -24.128 -14.698 0.00 0.00 WAT1 ATOM 4503 H2 TIP3 820 50.753 -22.906 -13.805 0.00 0.00 WAT1 ATOM 4504 OH2 TIP3 821 46.277 -25.630 -7.103 0.00 0.00 WAT1 ATOM 4505 H1 TIP3 821 45.537 -25.032 -7.000 0.00 0.00 WAT1 ATOM 4506 H2 TIP3 821 46.991 -25.076 -7.419 0.00 0.00 WAT1 ATOM 4507 OH2 TIP3 822 40.806 -23.995 -15.534 0.00 0.00 WAT1 ATOM 4508 H1 TIP3 822 40.534 -23.766 -16.423 0.00 0.00 WAT1 ATOM 4509 H2 TIP3 822 40.851 -23.157 -15.074 0.00 0.00 WAT1 ATOM 4510 OH2 TIP3 823 52.683 -20.592 -12.196 0.00 0.00 WAT1 ATOM 4511 H1 TIP3 823 53.108 -21.299 -12.681 0.00 0.00 WAT1 ATOM 4512 H2 TIP3 823 53.000 -19.791 -12.613 0.00 0.00 WAT1 ATOM 4513 OH2 TIP3 824 53.842 -22.691 -13.687 0.00 0.00 WAT1 ATOM 4514 H1 TIP3 824 53.585 -23.381 -14.299 0.00 0.00 WAT1 ATOM 4515 H2 TIP3 824 53.913 -23.134 -12.842 0.00 0.00 WAT1 ATOM 4516 OH2 TIP3 825 45.052 -26.323 -12.603 0.00 0.00 WAT1 ATOM 4517 H1 TIP3 825 44.722 -26.693 -13.422 0.00 0.00 WAT1 ATOM 4518 H2 TIP3 825 45.640 -26.993 -12.257 0.00 0.00 WAT1 ATOM 4519 OH2 TIP3 826 46.419 -22.895 -9.922 0.00 0.00 WAT1 ATOM 4520 H1 TIP3 826 46.324 -23.473 -10.679 0.00 0.00 WAT1 ATOM 4521 H2 TIP3 826 47.148 -23.266 -9.426 0.00 0.00 WAT1 ATOM 4522 OH2 TIP3 827 45.419 -27.554 -8.970 0.00 0.00 WAT1 ATOM 4523 H1 TIP3 827 45.984 -27.433 -9.733 0.00 0.00 WAT1 ATOM 4524 H2 TIP3 827 45.738 -26.917 -8.331 0.00 0.00 WAT1 ATOM 4525 OH2 TIP3 828 51.728 -22.051 -8.236 0.00 0.00 WAT1 ATOM 4526 H1 TIP3 828 51.487 -21.389 -7.588 0.00 0.00 WAT1 ATOM 4527 H2 TIP3 828 51.530 -22.885 -7.811 0.00 0.00 WAT1 ATOM 4528 OH2 TIP3 829 46.299 -23.155 -4.253 0.00 0.00 WAT1 ATOM 4529 H1 TIP3 829 45.987 -22.373 -3.797 0.00 0.00 WAT1 ATOM 4530 H2 TIP3 829 45.649 -23.308 -4.939 0.00 0.00 WAT1 ATOM 4531 OH2 TIP3 830 43.219 -26.957 -5.024 0.00 0.00 WAT1 ATOM 4532 H1 TIP3 830 43.289 -26.306 -4.326 0.00 0.00 WAT1 ATOM 4533 H2 TIP3 830 42.328 -26.854 -5.359 0.00 0.00 WAT1 ATOM 4534 OH2 TIP3 831 44.538 -21.083 -3.489 0.00 0.00 WAT1 ATOM 4535 H1 TIP3 831 44.546 -21.219 -4.437 0.00 0.00 WAT1 ATOM 4536 H2 TIP3 831 43.622 -21.201 -3.237 0.00 0.00 WAT1 ATOM 4537 OH2 TIP3 832 57.166 -21.675 -18.611 0.00 0.00 WAT1 ATOM 4538 H1 TIP3 832 57.239 -20.736 -18.441 0.00 0.00 WAT1 ATOM 4539 H2 TIP3 832 58.071 -21.980 -18.668 0.00 0.00 WAT1 ATOM 4540 OH2 TIP3 833 49.062 -21.870 -4.757 0.00 0.00 WAT1 ATOM 4541 H1 TIP3 833 49.149 -21.044 -4.282 0.00 0.00 WAT1 ATOM 4542 H2 TIP3 833 48.198 -22.200 -4.508 0.00 0.00 WAT1 ATOM 4543 OH2 TIP3 834 52.247 -19.018 -15.199 0.00 0.00 WAT1 ATOM 4544 H1 TIP3 834 51.312 -18.918 -15.020 0.00 0.00 WAT1 ATOM 4545 H2 TIP3 834 52.527 -19.727 -14.621 0.00 0.00 WAT1 ATOM 4546 OH2 TIP3 835 42.844 -29.811 -6.198 0.00 0.00 WAT1 ATOM 4547 H1 TIP3 835 42.806 -29.411 -5.330 0.00 0.00 WAT1 ATOM 4548 H2 TIP3 835 42.353 -30.628 -6.108 0.00 0.00 WAT1 ATOM 4549 OH2 TIP3 836 42.963 -25.102 -2.918 0.00 0.00 WAT1 ATOM 4550 H1 TIP3 836 43.696 -24.848 -2.357 0.00 0.00 WAT1 ATOM 4551 H2 TIP3 836 42.183 -24.898 -2.403 0.00 0.00 WAT1 ATOM 4552 OH2 TIP3 837 48.163 -25.094 -16.081 0.00 0.00 WAT1 ATOM 4553 H1 TIP3 837 47.419 -25.601 -16.404 0.00 0.00 WAT1 ATOM 4554 H2 TIP3 837 48.029 -25.045 -15.135 0.00 0.00 WAT1 ATOM 4555 OH2 TIP3 838 43.288 -25.799 -10.312 0.00 0.00 WAT1 ATOM 4556 H1 TIP3 838 44.033 -25.801 -10.913 0.00 0.00 WAT1 ATOM 4557 H2 TIP3 838 43.366 -26.623 -9.830 0.00 0.00 WAT1 ATOM 4558 OH2 TIP3 839 50.289 -23.635 -17.056 0.00 0.00 WAT1 ATOM 4559 H1 TIP3 839 49.994 -22.809 -16.674 0.00 0.00 WAT1 ATOM 4560 H2 TIP3 839 49.586 -24.255 -16.860 0.00 0.00 WAT1 ATOM 4561 OH2 TIP3 840 40.296 -27.338 -4.997 0.00 0.00 WAT1 ATOM 4562 H1 TIP3 840 40.519 -27.756 -4.165 0.00 0.00 WAT1 ATOM 4563 H2 TIP3 840 39.694 -27.951 -5.419 0.00 0.00 WAT1 ATOM 4564 OH2 TIP3 841 55.960 -21.417 -16.062 0.00 0.00 WAT1 ATOM 4565 H1 TIP3 841 55.587 -22.243 -15.752 0.00 0.00 WAT1 ATOM 4566 H2 TIP3 841 56.237 -21.600 -16.959 0.00 0.00 WAT1 ATOM 4567 OH2 TIP3 842 47.090 -24.618 -13.331 0.00 0.00 WAT1 ATOM 4568 H1 TIP3 842 46.849 -23.693 -13.289 0.00 0.00 WAT1 ATOM 4569 H2 TIP3 842 46.350 -25.077 -12.935 0.00 0.00 WAT1 ATOM 4570 OH2 TIP3 843 47.605 -20.469 -7.016 0.00 0.00 WAT1 ATOM 4571 H1 TIP3 843 47.968 -19.614 -7.249 0.00 0.00 WAT1 ATOM 4572 H2 TIP3 843 48.137 -20.761 -6.275 0.00 0.00 WAT1 ATOM 4573 OH2 TIP3 844 53.352 -23.441 -18.241 0.00 0.00 WAT1 ATOM 4574 H1 TIP3 844 53.705 -23.821 -17.437 0.00 0.00 WAT1 ATOM 4575 H2 TIP3 844 52.403 -23.534 -18.155 0.00 0.00 WAT1 ATOM 4576 OH2 TIP3 845 57.856 -18.961 -18.040 0.00 0.00 WAT1 ATOM 4577 H1 TIP3 845 58.599 -18.375 -18.180 0.00 0.00 WAT1 ATOM 4578 H2 TIP3 845 57.161 -18.393 -17.707 0.00 0.00 WAT1 ATOM 4579 OH2 TIP3 846 47.443 -22.329 -19.794 0.00 0.00 WAT1 ATOM 4580 H1 TIP3 846 47.682 -23.077 -20.342 0.00 0.00 WAT1 ATOM 4581 H2 TIP3 846 47.174 -22.717 -18.962 0.00 0.00 WAT1 ATOM 4582 OH2 TIP3 847 46.380 -22.759 -17.338 0.00 0.00 WAT1 ATOM 4583 H1 TIP3 847 46.527 -23.279 -16.548 0.00 0.00 WAT1 ATOM 4584 H2 TIP3 847 46.377 -21.852 -17.032 0.00 0.00 WAT1 ATOM 4585 OH2 TIP3 848 42.833 -25.506 -16.828 0.00 0.00 WAT1 ATOM 4586 H1 TIP3 848 42.147 -25.154 -16.261 0.00 0.00 WAT1 ATOM 4587 H2 TIP3 848 43.356 -24.743 -17.074 0.00 0.00 WAT1 ATOM 4588 OH2 TIP3 849 43.449 -22.892 -17.931 0.00 0.00 WAT1 ATOM 4589 H1 TIP3 849 44.041 -22.193 -17.655 0.00 0.00 WAT1 ATOM 4590 H2 TIP3 849 43.908 -23.325 -18.650 0.00 0.00 WAT1 ATOM 4591 OH2 TIP3 850 55.078 -19.564 -8.879 0.00 0.00 WAT1 ATOM 4592 H1 TIP3 850 54.922 -18.886 -9.536 0.00 0.00 WAT1 ATOM 4593 H2 TIP3 850 56.010 -19.492 -8.676 0.00 0.00 WAT1 ATOM 4594 OH2 TIP3 851 45.389 -19.974 -1.031 0.00 0.00 WAT1 ATOM 4595 H1 TIP3 851 46.157 -20.433 -0.690 0.00 0.00 WAT1 ATOM 4596 H2 TIP3 851 45.368 -20.200 -1.961 0.00 0.00 WAT1 ATOM 4597 OH2 TIP3 852 49.481 -20.466 -19.656 0.00 0.00 WAT1 ATOM 4598 H1 TIP3 852 48.837 -21.097 -19.334 0.00 0.00 WAT1 ATOM 4599 H2 TIP3 852 50.243 -20.997 -19.888 0.00 0.00 WAT1 ATOM 4600 OH2 TIP3 853 54.085 -20.649 -19.422 0.00 0.00 WAT1 ATOM 4601 H1 TIP3 853 54.368 -21.443 -18.969 0.00 0.00 WAT1 ATOM 4602 H2 TIP3 853 54.825 -20.416 -19.983 0.00 0.00 WAT1 ATOM 4603 OH2 TIP3 854 47.354 -25.113 -2.264 0.00 0.00 WAT1 ATOM 4604 H1 TIP3 854 47.026 -24.842 -3.122 0.00 0.00 WAT1 ATOM 4605 H2 TIP3 854 47.506 -26.054 -2.352 0.00 0.00 WAT1 ATOM 4606 OH2 TIP3 855 50.392 -23.692 -19.829 0.00 0.00 WAT1 ATOM 4607 H1 TIP3 855 50.124 -23.512 -18.928 0.00 0.00 WAT1 ATOM 4608 H2 TIP3 855 50.186 -24.618 -19.960 0.00 0.00 WAT1 ATOM 4609 OH2 TIP3 856 41.531 -27.883 -2.277 0.00 0.00 WAT1 ATOM 4610 H1 TIP3 856 41.939 -28.740 -2.398 0.00 0.00 WAT1 ATOM 4611 H2 TIP3 856 41.271 -27.868 -1.356 0.00 0.00 WAT1 ATOM 4612 OH2 TIP3 857 40.726 -23.197 -18.512 0.00 0.00 WAT1 ATOM 4613 H1 TIP3 857 41.640 -23.118 -18.239 0.00 0.00 WAT1 ATOM 4614 H2 TIP3 857 40.733 -23.884 -19.179 0.00 0.00 WAT1 ATOM 4615 OH2 TIP3 858 57.794 -18.914 -8.650 0.00 0.00 WAT1 ATOM 4616 H1 TIP3 858 57.772 -18.729 -7.711 0.00 0.00 WAT1 ATOM 4617 H2 TIP3 858 58.484 -18.345 -8.991 0.00 0.00 WAT1 ATOM 4618 OH2 TIP3 859 40.325 -26.648 -9.179 0.00 0.00 WAT1 ATOM 4619 H1 TIP3 859 40.509 -26.730 -10.114 0.00 0.00 WAT1 ATOM 4620 H2 TIP3 859 41.174 -26.772 -8.755 0.00 0.00 WAT1 ATOM 4621 OH2 TIP3 860 39.923 -31.377 -3.038 0.00 0.00 WAT1 ATOM 4622 H1 TIP3 860 40.842 -31.499 -2.802 0.00 0.00 WAT1 ATOM 4623 H2 TIP3 860 39.473 -32.127 -2.649 0.00 0.00 WAT1 ATOM 4624 OH2 TIP3 861 39.448 -30.066 -9.078 0.00 0.00 WAT1 ATOM 4625 H1 TIP3 861 39.940 -30.287 -9.868 0.00 0.00 WAT1 ATOM 4626 H2 TIP3 861 39.810 -29.225 -8.797 0.00 0.00 WAT1 ATOM 4627 OH2 TIP3 862 54.532 -18.824 -13.078 0.00 0.00 WAT1 ATOM 4628 H1 TIP3 862 55.185 -19.171 -13.686 0.00 0.00 WAT1 ATOM 4629 H2 TIP3 862 55.043 -18.335 -12.432 0.00 0.00 WAT1 ATOM 4630 OH2 TIP3 863 49.182 -19.521 -3.317 0.00 0.00 WAT1 ATOM 4631 H1 TIP3 863 49.367 -19.855 -2.439 0.00 0.00 WAT1 ATOM 4632 H2 TIP3 863 50.029 -19.212 -3.639 0.00 0.00 WAT1 ATOM 4633 OH2 TIP3 864 51.527 -18.236 -4.073 0.00 0.00 WAT1 ATOM 4634 H1 TIP3 864 52.204 -18.868 -4.313 0.00 0.00 WAT1 ATOM 4635 H2 TIP3 864 51.849 -17.834 -3.265 0.00 0.00 WAT1 ATOM 4636 OH2 TIP3 865 49.451 -18.176 -8.023 0.00 0.00 WAT1 ATOM 4637 H1 TIP3 865 48.994 -17.647 -8.677 0.00 0.00 WAT1 ATOM 4638 H2 TIP3 865 49.614 -17.573 -7.298 0.00 0.00 WAT1 ATOM 4639 OH2 TIP3 866 51.778 -19.298 -7.078 0.00 0.00 WAT1 ATOM 4640 H1 TIP3 866 50.874 -19.133 -7.344 0.00 0.00 WAT1 ATOM 4641 H2 TIP3 866 52.207 -18.445 -7.144 0.00 0.00 WAT1 ATOM 4642 OH2 TIP3 867 54.383 -17.728 -6.783 0.00 0.00 WAT1 ATOM 4643 H1 TIP3 867 54.201 -16.812 -6.994 0.00 0.00 WAT1 ATOM 4644 H2 TIP3 867 54.559 -18.138 -7.630 0.00 0.00 WAT1 ATOM 4645 OH2 TIP3 868 56.512 -19.044 -15.070 0.00 0.00 WAT1 ATOM 4646 H1 TIP3 868 56.318 -19.792 -15.635 0.00 0.00 WAT1 ATOM 4647 H2 TIP3 868 56.473 -18.286 -15.654 0.00 0.00 WAT1 ATOM 4648 OH2 TIP3 869 42.757 -18.897 -19.122 0.00 0.00 WAT1 ATOM 4649 H1 TIP3 869 42.489 -18.610 -18.249 0.00 0.00 WAT1 ATOM 4650 H2 TIP3 869 43.528 -19.443 -18.970 0.00 0.00 WAT1 ATOM 4651 OH2 TIP3 870 40.806 -23.995 3.322 0.00 0.00 WAT1 ATOM 4652 H1 TIP3 870 40.534 -23.766 2.433 0.00 0.00 WAT1 ATOM 4653 H2 TIP3 870 40.851 -23.157 3.782 0.00 0.00 WAT1 ATOM 4654 OH2 TIP3 871 41.418 -27.419 0.536 0.00 0.00 WAT1 ATOM 4655 H1 TIP3 871 42.034 -26.792 0.915 0.00 0.00 WAT1 ATOM 4656 H2 TIP3 871 40.556 -27.103 0.807 0.00 0.00 WAT1 ATOM 4657 OH2 TIP3 872 42.833 -25.506 2.028 0.00 0.00 WAT1 ATOM 4658 H1 TIP3 872 42.147 -25.154 2.595 0.00 0.00 WAT1 ATOM 4659 H2 TIP3 872 43.356 -24.743 1.782 0.00 0.00 WAT1 ATOM 4660 OH2 TIP3 873 43.449 -22.892 0.925 0.00 0.00 WAT1 ATOM 4661 H1 TIP3 873 44.041 -22.193 1.201 0.00 0.00 WAT1 ATOM 4662 H2 TIP3 873 43.908 -23.325 0.206 0.00 0.00 WAT1 ATOM 4663 OH2 TIP3 874 45.040 -24.739 -0.709 0.00 0.00 WAT1 ATOM 4664 H1 TIP3 874 45.104 -25.533 -0.178 0.00 0.00 WAT1 ATOM 4665 H2 TIP3 874 45.693 -24.858 -1.398 0.00 0.00 WAT1 ATOM 4666 OH2 TIP3 875 47.158 -17.833 0.861 0.00 0.00 WAT1 ATOM 4667 H1 TIP3 875 48.091 -17.675 1.005 0.00 0.00 WAT1 ATOM 4668 H2 TIP3 875 46.894 -17.158 0.236 0.00 0.00 WAT1 ATOM 4669 OH2 TIP3 876 40.939 -19.817 2.709 0.00 0.00 WAT1 ATOM 4670 H1 TIP3 876 40.254 -19.855 2.041 0.00 0.00 WAT1 ATOM 4671 H2 TIP3 876 40.942 -18.904 2.997 0.00 0.00 WAT1 ATOM 4672 OH2 TIP3 877 42.757 -18.897 -0.266 0.00 0.00 WAT1 ATOM 4673 H1 TIP3 877 42.489 -18.610 0.607 0.00 0.00 WAT1 ATOM 4674 H2 TIP3 877 43.528 -19.443 -0.114 0.00 0.00 WAT1 ATOM 4675 OH2 TIP3 878 51.280 -7.551 -50.602 0.00 0.00 WAT1 ATOM 4676 H1 TIP3 878 51.369 -6.607 -50.734 0.00 0.00 WAT1 ATOM 4677 H2 TIP3 878 50.641 -7.826 -51.260 0.00 0.00 WAT1 ATOM 4678 OH2 TIP3 879 53.919 -5.357 -48.881 0.00 0.00 WAT1 ATOM 4679 H1 TIP3 879 53.478 -6.077 -48.431 0.00 0.00 WAT1 ATOM 4680 H2 TIP3 879 53.906 -4.636 -48.251 0.00 0.00 WAT1 ATOM 4681 OH2 TIP3 880 40.115 -10.571 -51.662 0.00 0.00 WAT1 ATOM 4682 H1 TIP3 880 39.667 -9.725 -51.680 0.00 0.00 WAT1 ATOM 4683 H2 TIP3 880 39.554 -11.151 -52.177 0.00 0.00 WAT1 ATOM 4684 OH2 TIP3 881 51.030 -0.252 -48.669 0.00 0.00 WAT1 ATOM 4685 H1 TIP3 881 51.650 -0.929 -48.942 0.00 0.00 WAT1 ATOM 4686 H2 TIP3 881 50.822 -0.470 -47.761 0.00 0.00 WAT1 ATOM 4687 OH2 TIP3 882 57.265 -14.262 -45.916 0.00 0.00 WAT1 ATOM 4688 H1 TIP3 882 57.314 -13.652 -45.180 0.00 0.00 WAT1 ATOM 4689 H2 TIP3 882 57.691 -13.801 -46.639 0.00 0.00 WAT1 ATOM 4690 OH2 TIP3 883 52.620 -13.237 -50.776 0.00 0.00 WAT1 ATOM 4691 H1 TIP3 883 53.266 -13.566 -50.151 0.00 0.00 WAT1 ATOM 4692 H2 TIP3 883 53.130 -12.719 -51.399 0.00 0.00 WAT1 ATOM 4693 OH2 TIP3 884 51.077 -4.950 -51.559 0.00 0.00 WAT1 ATOM 4694 H1 TIP3 884 50.781 -5.272 -52.410 0.00 0.00 WAT1 ATOM 4695 H2 TIP3 884 50.753 -4.050 -51.517 0.00 0.00 WAT1 ATOM 4696 OH2 TIP3 885 54.384 -13.946 -48.795 0.00 0.00 WAT1 ATOM 4697 H1 TIP3 885 54.169 -14.712 -48.263 0.00 0.00 WAT1 ATOM 4698 H2 TIP3 885 55.040 -13.474 -48.282 0.00 0.00 WAT1 ATOM 4699 OH2 TIP3 886 40.806 -5.139 -53.246 0.00 0.00 WAT1 ATOM 4700 H1 TIP3 886 40.534 -4.910 -54.135 0.00 0.00 WAT1 ATOM 4701 H2 TIP3 886 40.851 -4.301 -52.786 0.00 0.00 WAT1 ATOM 4702 OH2 TIP3 887 54.731 -15.231 -45.116 0.00 0.00 WAT1 ATOM 4703 H1 TIP3 887 53.995 -14.620 -45.154 0.00 0.00 WAT1 ATOM 4704 H2 TIP3 887 55.415 -14.816 -45.642 0.00 0.00 WAT1 ATOM 4705 OH2 TIP3 888 47.734 -17.144 -47.650 0.00 0.00 WAT1 ATOM 4706 H1 TIP3 888 47.617 -18.093 -47.704 0.00 0.00 WAT1 ATOM 4707 H2 TIP3 888 46.879 -16.812 -47.377 0.00 0.00 WAT1 ATOM 4708 OH2 TIP3 889 52.683 -1.736 -49.908 0.00 0.00 WAT1 ATOM 4709 H1 TIP3 889 53.108 -2.443 -50.393 0.00 0.00 WAT1 ATOM 4710 H2 TIP3 889 53.000 -0.935 -50.325 0.00 0.00 WAT1 ATOM 4711 OH2 TIP3 890 53.842 -3.835 -51.399 0.00 0.00 WAT1 ATOM 4712 H1 TIP3 890 53.585 -4.525 -52.011 0.00 0.00 WAT1 ATOM 4713 H2 TIP3 890 53.913 -4.278 -50.554 0.00 0.00 WAT1 ATOM 4714 OH2 TIP3 891 50.001 -8.307 -53.150 0.00 0.00 WAT1 ATOM 4715 H1 TIP3 891 49.289 -7.772 -53.501 0.00 0.00 WAT1 ATOM 4716 H2 TIP3 891 50.692 -8.251 -53.810 0.00 0.00 WAT1 ATOM 4717 OH2 TIP3 892 53.407 -8.097 -52.198 0.00 0.00 WAT1 ATOM 4718 H1 TIP3 892 52.675 -7.869 -51.625 0.00 0.00 WAT1 ATOM 4719 H2 TIP3 892 53.854 -8.811 -51.743 0.00 0.00 WAT1 ATOM 4720 OH2 TIP3 893 45.052 -7.467 -50.315 0.00 0.00 WAT1 ATOM 4721 H1 TIP3 893 44.722 -7.837 -51.134 0.00 0.00 WAT1 ATOM 4722 H2 TIP3 893 45.640 -8.137 -49.969 0.00 0.00 WAT1 ATOM 4723 OH2 TIP3 894 50.004 -2.198 -51.078 0.00 0.00 WAT1 ATOM 4724 H1 TIP3 894 50.478 -1.903 -50.300 0.00 0.00 WAT1 ATOM 4725 H2 TIP3 894 49.441 -1.460 -51.311 0.00 0.00 WAT1 ATOM 4726 OH2 TIP3 895 44.042 -8.397 -52.726 0.00 0.00 WAT1 ATOM 4727 H1 TIP3 895 43.750 -7.629 -53.217 0.00 0.00 WAT1 ATOM 4728 H2 TIP3 895 43.368 -9.057 -52.889 0.00 0.00 WAT1 ATOM 4729 OH2 TIP3 896 39.886 -3.254 -47.027 0.00 0.00 WAT1 ATOM 4730 H1 TIP3 896 40.832 -3.398 -47.046 0.00 0.00 WAT1 ATOM 4731 H2 TIP3 896 39.773 -2.470 -46.490 0.00 0.00 WAT1 ATOM 4732 OH2 TIP3 897 58.083 -2.588 -41.345 0.00 0.00 WAT1 ATOM 4733 H1 TIP3 897 58.034 -3.543 -41.382 0.00 0.00 WAT1 ATOM 4734 H2 TIP3 897 57.257 -2.320 -40.943 0.00 0.00 WAT1 ATOM 4735 OH2 TIP3 898 43.130 -0.453 -50.882 0.00 0.00 WAT1 ATOM 4736 H1 TIP3 898 43.282 -0.801 -50.003 0.00 0.00 WAT1 ATOM 4737 H2 TIP3 898 42.279 -0.809 -51.137 0.00 0.00 WAT1 ATOM 4738 OH2 TIP3 899 45.091 -11.054 -50.865 0.00 0.00 WAT1 ATOM 4739 H1 TIP3 899 44.198 -11.395 -50.924 0.00 0.00 WAT1 ATOM 4740 H2 TIP3 899 45.542 -11.431 -51.621 0.00 0.00 WAT1 ATOM 4741 OH2 TIP3 900 50.627 -10.638 -52.048 0.00 0.00 WAT1 ATOM 4742 H1 TIP3 900 50.218 -9.823 -52.340 0.00 0.00 WAT1 ATOM 4743 H2 TIP3 900 51.347 -10.778 -52.663 0.00 0.00 WAT1 ATOM 4744 OH2 TIP3 901 51.631 -11.192 -49.234 0.00 0.00 WAT1 ATOM 4745 H1 TIP3 901 51.436 -10.587 -49.949 0.00 0.00 WAT1 ATOM 4746 H2 TIP3 901 51.813 -12.026 -49.669 0.00 0.00 WAT1 ATOM 4747 OH2 TIP3 902 39.452 -13.839 -50.060 0.00 0.00 WAT1 ATOM 4748 H1 TIP3 902 40.083 -13.868 -49.340 0.00 0.00 WAT1 ATOM 4749 H2 TIP3 902 39.902 -14.264 -50.790 0.00 0.00 WAT1 ATOM 4750 OH2 TIP3 903 47.673 -13.627 -49.779 0.00 0.00 WAT1 ATOM 4751 H1 TIP3 903 46.762 -13.570 -49.490 0.00 0.00 WAT1 ATOM 4752 H2 TIP3 903 48.178 -13.687 -48.968 0.00 0.00 WAT1 ATOM 4753 OH2 TIP3 904 42.501 -11.998 -50.952 0.00 0.00 WAT1 ATOM 4754 H1 TIP3 904 41.612 -11.898 -51.292 0.00 0.00 WAT1 ATOM 4755 H2 TIP3 904 42.797 -12.840 -51.298 0.00 0.00 WAT1 ATOM 4756 OH2 TIP3 905 46.154 -11.998 -53.296 0.00 0.00 WAT1 ATOM 4757 H1 TIP3 905 47.086 -11.869 -53.118 0.00 0.00 WAT1 ATOM 4758 H2 TIP3 905 45.939 -11.328 -53.945 0.00 0.00 WAT1 ATOM 4759 OH2 TIP3 906 52.078 -14.392 -46.515 0.00 0.00 WAT1 ATOM 4760 H1 TIP3 906 51.401 -14.261 -45.851 0.00 0.00 WAT1 ATOM 4761 H2 TIP3 906 51.592 -14.547 -47.325 0.00 0.00 WAT1 ATOM 4762 OH2 TIP3 907 55.365 1.280 -40.238 0.00 0.00 WAT1 ATOM 4763 H1 TIP3 907 55.565 1.704 -41.073 0.00 0.00 WAT1 ATOM 4764 H2 TIP3 907 56.021 1.623 -39.631 0.00 0.00 WAT1 ATOM 4765 OH2 TIP3 908 43.995 -14.703 -51.474 0.00 0.00 WAT1 ATOM 4766 H1 TIP3 908 43.678 -15.605 -51.509 0.00 0.00 WAT1 ATOM 4767 H2 TIP3 908 44.776 -14.701 -52.026 0.00 0.00 WAT1 ATOM 4768 OH2 TIP3 909 48.163 -6.238 -53.793 0.00 0.00 WAT1 ATOM 4769 H1 TIP3 909 47.419 -6.745 -54.116 0.00 0.00 WAT1 ATOM 4770 H2 TIP3 909 48.029 -6.189 -52.847 0.00 0.00 WAT1 ATOM 4771 OH2 TIP3 910 45.663 -3.425 -50.619 0.00 0.00 WAT1 ATOM 4772 H1 TIP3 910 46.190 -2.652 -50.820 0.00 0.00 WAT1 ATOM 4773 H2 TIP3 910 44.783 -3.200 -50.921 0.00 0.00 WAT1 ATOM 4774 OH2 TIP3 911 47.090 -5.762 -51.043 0.00 0.00 WAT1 ATOM 4775 H1 TIP3 911 46.849 -4.837 -51.001 0.00 0.00 WAT1 ATOM 4776 H2 TIP3 911 46.350 -6.221 -50.647 0.00 0.00 WAT1 ATOM 4777 OH2 TIP3 912 45.774 -0.740 -51.498 0.00 0.00 WAT1 ATOM 4778 H1 TIP3 912 44.824 -0.635 -51.446 0.00 0.00 WAT1 ATOM 4779 H2 TIP3 912 46.125 0.080 -51.153 0.00 0.00 WAT1 ATOM 4780 OH2 TIP3 913 48.649 -12.608 -52.329 0.00 0.00 WAT1 ATOM 4781 H1 TIP3 913 49.461 -12.104 -52.283 0.00 0.00 WAT1 ATOM 4782 H2 TIP3 913 48.404 -12.753 -51.415 0.00 0.00 WAT1 ATOM 4783 OH2 TIP3 914 49.533 -15.527 -51.391 0.00 0.00 WAT1 ATOM 4784 H1 TIP3 914 49.186 -14.909 -50.746 0.00 0.00 WAT1 ATOM 4785 H2 TIP3 914 50.191 -15.026 -51.872 0.00 0.00 WAT1 ATOM 4786 OH2 TIP3 915 53.991 -9.964 -48.213 0.00 0.00 WAT1 ATOM 4787 H1 TIP3 915 53.194 -10.379 -48.542 0.00 0.00 WAT1 ATOM 4788 H2 TIP3 915 54.436 -10.655 -47.722 0.00 0.00 WAT1 ATOM 4789 OH2 TIP3 916 55.078 -0.708 -46.591 0.00 0.00 WAT1 ATOM 4790 H1 TIP3 916 54.922 -0.030 -47.248 0.00 0.00 WAT1 ATOM 4791 H2 TIP3 916 56.010 -0.636 -46.388 0.00 0.00 WAT1 ATOM 4792 OH2 TIP3 917 41.503 -2.650 -51.693 0.00 0.00 WAT1 ATOM 4793 H1 TIP3 917 40.671 -2.177 -51.666 0.00 0.00 WAT1 ATOM 4794 H2 TIP3 917 42.049 -2.140 -52.292 0.00 0.00 WAT1 ATOM 4795 OH2 TIP3 918 40.245 -0.867 -49.342 0.00 0.00 WAT1 ATOM 4796 H1 TIP3 918 39.911 -1.748 -49.170 0.00 0.00 WAT1 ATOM 4797 H2 TIP3 918 40.467 -0.522 -48.478 0.00 0.00 WAT1 ATOM 4798 OH2 TIP3 919 57.794 -0.058 -46.362 0.00 0.00 WAT1 ATOM 4799 H1 TIP3 919 57.772 0.127 -45.423 0.00 0.00 WAT1 ATOM 4800 H2 TIP3 919 58.484 0.511 -46.703 0.00 0.00 WAT1 ATOM 4801 OH2 TIP3 920 57.357 -0.491 -43.440 0.00 0.00 WAT1 ATOM 4802 H1 TIP3 920 56.870 -1.226 -43.811 0.00 0.00 WAT1 ATOM 4803 H2 TIP3 920 57.906 -0.884 -42.762 0.00 0.00 WAT1 ATOM 4804 OH2 TIP3 921 57.262 -5.606 -46.516 0.00 0.00 WAT1 ATOM 4805 H1 TIP3 921 58.096 -5.984 -46.797 0.00 0.00 WAT1 ATOM 4806 H2 TIP3 921 57.374 -4.663 -46.635 0.00 0.00 WAT1 ATOM 4807 OH2 TIP3 922 55.749 -2.728 -44.209 0.00 0.00 WAT1 ATOM 4808 H1 TIP3 922 55.101 -2.403 -43.584 0.00 0.00 WAT1 ATOM 4809 H2 TIP3 922 55.231 -3.168 -44.884 0.00 0.00 WAT1 ATOM 4810 OH2 TIP3 923 55.290 -9.870 -50.901 0.00 0.00 WAT1 ATOM 4811 H1 TIP3 923 55.140 -10.815 -50.921 0.00 0.00 WAT1 ATOM 4812 H2 TIP3 923 54.936 -9.589 -50.057 0.00 0.00 WAT1 ATOM 4813 OH2 TIP3 924 55.612 -11.706 -47.003 0.00 0.00 WAT1 ATOM 4814 H1 TIP3 924 56.545 -11.494 -47.037 0.00 0.00 WAT1 ATOM 4815 H2 TIP3 924 55.377 -11.604 -46.080 0.00 0.00 WAT1 ATOM 4816 OH2 TIP3 925 57.924 -16.989 -38.873 0.00 0.00 WAT1 ATOM 4817 H1 TIP3 925 58.274 -17.643 -39.479 0.00 0.00 WAT1 ATOM 4818 H2 TIP3 925 58.071 -16.152 -39.313 0.00 0.00 WAT1 ATOM 4819 OH2 TIP3 926 41.144 -14.209 -47.859 0.00 0.00 WAT1 ATOM 4820 H1 TIP3 926 41.589 -15.001 -47.557 0.00 0.00 WAT1 ATOM 4821 H2 TIP3 926 41.610 -13.493 -47.428 0.00 0.00 WAT1 ATOM 4822 OH2 TIP3 927 39.761 -14.952 -52.735 0.00 0.00 WAT1 ATOM 4823 H1 TIP3 927 38.836 -14.743 -52.865 0.00 0.00 WAT1 ATOM 4824 H2 TIP3 927 40.215 -14.468 -53.425 0.00 0.00 WAT1 ATOM 4825 OH2 TIP3 928 54.532 0.032 -50.790 0.00 0.00 WAT1 ATOM 4826 H1 TIP3 928 55.185 -0.315 -51.398 0.00 0.00 WAT1 ATOM 4827 H2 TIP3 928 55.043 0.521 -50.144 0.00 0.00 WAT1 ATOM 4828 OH2 TIP3 929 39.725 -16.214 -44.391 0.00 0.00 WAT1 ATOM 4829 H1 TIP3 929 39.060 -16.460 -43.748 0.00 0.00 WAT1 ATOM 4830 H2 TIP3 929 39.282 -15.592 -44.968 0.00 0.00 WAT1 ATOM 4831 OH2 TIP3 930 56.445 -16.790 -42.705 0.00 0.00 WAT1 ATOM 4832 H1 TIP3 930 55.632 -16.465 -43.093 0.00 0.00 WAT1 ATOM 4833 H2 TIP3 930 56.678 -17.550 -43.238 0.00 0.00 WAT1 ATOM 4834 OH2 TIP3 931 54.383 1.128 -44.495 0.00 0.00 WAT1 ATOM 4835 H1 TIP3 931 54.201 2.044 -44.706 0.00 0.00 WAT1 ATOM 4836 H2 TIP3 931 54.559 0.718 -45.342 0.00 0.00 WAT1 ATOM 4837 OH2 TIP3 932 43.829 -1.475 -48.375 0.00 0.00 WAT1 ATOM 4838 H1 TIP3 932 43.610 -2.391 -48.206 0.00 0.00 WAT1 ATOM 4839 H2 TIP3 932 44.653 -1.335 -47.909 0.00 0.00 WAT1 ATOM 4840 OH2 TIP3 933 49.875 -15.341 -48.382 0.00 0.00 WAT1 ATOM 4841 H1 TIP3 933 49.200 -15.970 -48.127 0.00 0.00 WAT1 ATOM 4842 H2 TIP3 933 50.439 -15.825 -48.985 0.00 0.00 WAT1 ATOM 4843 OH2 TIP3 934 42.201 -16.707 -50.560 0.00 0.00 WAT1 ATOM 4844 H1 TIP3 934 41.424 -16.941 -51.068 0.00 0.00 WAT1 ATOM 4845 H2 TIP3 934 42.732 -17.504 -50.552 0.00 0.00 WAT1 ATOM 4846 OH2 TIP3 935 46.781 -16.780 -50.747 0.00 0.00 WAT1 ATOM 4847 H1 TIP3 935 47.655 -16.392 -50.777 0.00 0.00 WAT1 ATOM 4848 H2 TIP3 935 46.645 -16.995 -49.824 0.00 0.00 WAT1 ATOM 4849 OH2 TIP3 936 52.338 -16.750 -49.098 0.00 0.00 WAT1 ATOM 4850 H1 TIP3 936 52.414 -16.655 -50.047 0.00 0.00 WAT1 ATOM 4851 H2 TIP3 936 52.062 -17.658 -48.969 0.00 0.00 WAT1 ATOM 4852 OH2 TIP3 937 55.730 -1.437 -40.632 0.00 0.00 WAT1 ATOM 4853 H1 TIP3 937 54.948 -1.623 -41.152 0.00 0.00 WAT1 ATOM 4854 H2 TIP3 937 55.658 -0.508 -40.415 0.00 0.00 WAT1 ATOM 4855 OH2 TIP3 938 55.976 -17.185 -35.844 0.00 0.00 WAT1 ATOM 4856 H1 TIP3 938 55.077 -17.046 -35.549 0.00 0.00 WAT1 ATOM 4857 H2 TIP3 938 56.228 -16.354 -36.246 0.00 0.00 WAT1 ATOM 4858 OH2 TIP3 939 57.856 -0.105 -36.896 0.00 0.00 WAT1 ATOM 4859 H1 TIP3 939 58.599 0.481 -37.036 0.00 0.00 WAT1 ATOM 4860 H2 TIP3 939 57.161 0.463 -36.563 0.00 0.00 WAT1 ATOM 4861 OH2 TIP3 940 57.357 -0.491 -24.584 0.00 0.00 WAT1 ATOM 4862 H1 TIP3 940 56.870 -1.226 -24.955 0.00 0.00 WAT1 ATOM 4863 H2 TIP3 940 57.906 -0.884 -23.906 0.00 0.00 WAT1 ATOM 4864 OH2 TIP3 941 56.445 -16.790 -23.849 0.00 0.00 WAT1 ATOM 4865 H1 TIP3 941 55.632 -16.465 -24.237 0.00 0.00 WAT1 ATOM 4866 H2 TIP3 941 56.678 -17.550 -24.382 0.00 0.00 WAT1 ATOM 4867 OH2 TIP3 942 55.017 -17.234 -29.414 0.00 0.00 WAT1 ATOM 4868 H1 TIP3 942 55.621 -16.686 -29.915 0.00 0.00 WAT1 ATOM 4869 H2 TIP3 942 54.148 -16.914 -29.654 0.00 0.00 WAT1 ATOM 4870 OH2 TIP3 943 56.744 -16.095 -31.080 0.00 0.00 WAT1 ATOM 4871 H1 TIP3 943 57.356 -16.609 -31.607 0.00 0.00 WAT1 ATOM 4872 H2 TIP3 943 57.127 -15.217 -31.057 0.00 0.00 WAT1 ATOM 4873 OH2 TIP3 944 52.338 -16.750 -30.242 0.00 0.00 WAT1 ATOM 4874 H1 TIP3 944 52.414 -16.655 -31.191 0.00 0.00 WAT1 ATOM 4875 H2 TIP3 944 52.062 -17.658 -30.113 0.00 0.00 WAT1 ATOM 4876 OH2 TIP3 945 57.265 -14.262 -8.204 0.00 0.00 WAT1 ATOM 4877 H1 TIP3 945 57.314 -13.652 -7.468 0.00 0.00 WAT1 ATOM 4878 H2 TIP3 945 57.691 -13.801 -8.927 0.00 0.00 WAT1 ATOM 4879 OH2 TIP3 946 57.657 -12.784 -5.968 0.00 0.00 WAT1 ATOM 4880 H1 TIP3 946 56.968 -12.126 -6.063 0.00 0.00 WAT1 ATOM 4881 H2 TIP3 946 57.672 -12.981 -5.031 0.00 0.00 WAT1 ATOM 4882 OH2 TIP3 947 54.731 -15.231 -7.404 0.00 0.00 WAT1 ATOM 4883 H1 TIP3 947 53.995 -14.620 -7.442 0.00 0.00 WAT1 ATOM 4884 H2 TIP3 947 55.415 -14.816 -7.930 0.00 0.00 WAT1 ATOM 4885 OH2 TIP3 948 55.528 -5.269 -5.210 0.00 0.00 WAT1 ATOM 4886 H1 TIP3 948 55.668 -5.860 -5.949 0.00 0.00 WAT1 ATOM 4887 H2 TIP3 948 55.696 -4.396 -5.566 0.00 0.00 WAT1 ATOM 4888 OH2 TIP3 949 57.370 -8.929 -7.144 0.00 0.00 WAT1 ATOM 4889 H1 TIP3 949 56.718 -8.234 -7.055 0.00 0.00 WAT1 ATOM 4890 H2 TIP3 949 57.835 -8.719 -7.954 0.00 0.00 WAT1 ATOM 4891 OH2 TIP3 950 53.304 -9.923 -5.418 0.00 0.00 WAT1 ATOM 4892 H1 TIP3 950 53.384 -9.160 -4.846 0.00 0.00 WAT1 ATOM 4893 H2 TIP3 950 52.703 -9.644 -6.109 0.00 0.00 WAT1 ATOM 4894 OH2 TIP3 951 51.728 -3.195 -8.236 0.00 0.00 WAT1 ATOM 4895 H1 TIP3 951 51.487 -2.533 -7.588 0.00 0.00 WAT1 ATOM 4896 H2 TIP3 951 51.530 -4.029 -7.811 0.00 0.00 WAT1 ATOM 4897 OH2 TIP3 952 49.666 -16.519 -5.786 0.00 0.00 WAT1 ATOM 4898 H1 TIP3 952 50.086 -16.934 -5.033 0.00 0.00 WAT1 ATOM 4899 H2 TIP3 952 48.733 -16.697 -5.669 0.00 0.00 WAT1 ATOM 4900 OH2 TIP3 953 52.992 -12.763 -4.932 0.00 0.00 WAT1 ATOM 4901 H1 TIP3 953 52.478 -12.889 -4.135 0.00 0.00 WAT1 ATOM 4902 H2 TIP3 953 52.837 -11.851 -5.177 0.00 0.00 WAT1 ATOM 4903 OH2 TIP3 954 49.729 -10.463 -2.848 0.00 0.00 WAT1 ATOM 4904 H1 TIP3 954 49.166 -11.167 -2.528 0.00 0.00 WAT1 ATOM 4905 H2 TIP3 954 50.555 -10.583 -2.381 0.00 0.00 WAT1 ATOM 4906 OH2 TIP3 955 50.895 -9.554 -6.851 0.00 0.00 WAT1 ATOM 4907 H1 TIP3 955 51.219 -10.185 -7.494 0.00 0.00 WAT1 ATOM 4908 H2 TIP3 955 50.455 -10.089 -6.190 0.00 0.00 WAT1 ATOM 4909 OH2 TIP3 956 55.365 1.280 -2.526 0.00 0.00 WAT1 ATOM 4910 H1 TIP3 956 55.565 1.704 -3.361 0.00 0.00 WAT1 ATOM 4911 H2 TIP3 956 56.021 1.623 -1.919 0.00 0.00 WAT1 ATOM 4912 OH2 TIP3 957 42.963 -6.246 -2.918 0.00 0.00 WAT1 ATOM 4913 H1 TIP3 957 43.696 -5.992 -2.357 0.00 0.00 WAT1 ATOM 4914 H2 TIP3 957 42.183 -6.042 -2.403 0.00 0.00 WAT1 ATOM 4915 OH2 TIP3 958 55.313 -7.105 -7.295 0.00 0.00 WAT1 ATOM 4916 H1 TIP3 958 55.955 -6.648 -7.838 0.00 0.00 WAT1 ATOM 4917 H2 TIP3 958 54.483 -6.992 -7.757 0.00 0.00 WAT1 ATOM 4918 OH2 TIP3 959 49.683 -6.054 -4.844 0.00 0.00 WAT1 ATOM 4919 H1 TIP3 959 49.337 -6.435 -4.038 0.00 0.00 WAT1 ATOM 4920 H2 TIP3 959 49.483 -5.120 -4.773 0.00 0.00 WAT1 ATOM 4921 OH2 TIP3 960 40.296 -8.482 -4.997 0.00 0.00 WAT1 ATOM 4922 H1 TIP3 960 40.519 -8.900 -4.165 0.00 0.00 WAT1 ATOM 4923 H2 TIP3 960 39.694 -9.095 -5.419 0.00 0.00 WAT1 ATOM 4924 OH2 TIP3 961 47.313 -8.965 -2.784 0.00 0.00 WAT1 ATOM 4925 H1 TIP3 961 47.017 -9.131 -3.679 0.00 0.00 WAT1 ATOM 4926 H2 TIP3 961 48.244 -9.185 -2.794 0.00 0.00 WAT1 ATOM 4927 OH2 TIP3 962 51.933 -3.592 -4.894 0.00 0.00 WAT1 ATOM 4928 H1 TIP3 962 51.032 -3.409 -5.162 0.00 0.00 WAT1 ATOM 4929 H2 TIP3 962 51.967 -3.333 -3.973 0.00 0.00 WAT1 ATOM 4930 OH2 TIP3 963 51.149 -5.514 -7.315 0.00 0.00 WAT1 ATOM 4931 H1 TIP3 963 50.723 -5.741 -6.489 0.00 0.00 WAT1 ATOM 4932 H2 TIP3 963 51.730 -6.252 -7.498 0.00 0.00 WAT1 ATOM 4933 OH2 TIP3 964 53.808 -0.962 -4.846 0.00 0.00 WAT1 ATOM 4934 H1 TIP3 964 53.206 -1.517 -5.341 0.00 0.00 WAT1 ATOM 4935 H2 TIP3 964 54.089 -0.295 -5.472 0.00 0.00 WAT1 ATOM 4936 OH2 TIP3 965 50.665 -13.988 -6.549 0.00 0.00 WAT1 ATOM 4937 H1 TIP3 965 51.363 -13.914 -5.899 0.00 0.00 WAT1 ATOM 4938 H2 TIP3 965 50.284 -14.852 -6.394 0.00 0.00 WAT1 ATOM 4939 OH2 TIP3 966 49.185 -11.622 -5.432 0.00 0.00 WAT1 ATOM 4940 H1 TIP3 966 49.304 -11.048 -4.675 0.00 0.00 WAT1 ATOM 4941 H2 TIP3 966 49.840 -12.310 -5.317 0.00 0.00 WAT1 ATOM 4942 OH2 TIP3 967 55.389 -13.715 -4.597 0.00 0.00 WAT1 ATOM 4943 H1 TIP3 967 54.473 -13.452 -4.685 0.00 0.00 WAT1 ATOM 4944 H2 TIP3 967 55.725 -13.718 -5.494 0.00 0.00 WAT1 ATOM 4945 OH2 TIP3 968 55.078 -0.708 -8.879 0.00 0.00 WAT1 ATOM 4946 H1 TIP3 968 54.922 -0.030 -9.536 0.00 0.00 WAT1 ATOM 4947 H2 TIP3 968 56.010 -0.636 -8.676 0.00 0.00 WAT1 ATOM 4948 OH2 TIP3 969 40.792 -0.037 -2.651 0.00 0.00 WAT1 ATOM 4949 H1 TIP3 969 41.332 -0.254 -1.892 0.00 0.00 WAT1 ATOM 4950 H2 TIP3 969 40.311 -0.843 -2.841 0.00 0.00 WAT1 ATOM 4951 OH2 TIP3 970 51.966 -2.738 -2.302 0.00 0.00 WAT1 ATOM 4952 H1 TIP3 970 51.615 -3.594 -2.059 0.00 0.00 WAT1 ATOM 4953 H2 TIP3 970 52.692 -2.595 -1.695 0.00 0.00 WAT1 ATOM 4954 OH2 TIP3 971 40.699 -6.227 -1.697 0.00 0.00 WAT1 ATOM 4955 H1 TIP3 971 40.843 -7.129 -1.983 0.00 0.00 WAT1 ATOM 4956 H2 TIP3 971 39.926 -5.941 -2.185 0.00 0.00 WAT1 ATOM 4957 OH2 TIP3 972 47.354 -6.257 -2.264 0.00 0.00 WAT1 ATOM 4958 H1 TIP3 972 47.026 -5.986 -3.122 0.00 0.00 WAT1 ATOM 4959 H2 TIP3 972 47.506 -7.198 -2.352 0.00 0.00 WAT1 ATOM 4960 OH2 TIP3 973 53.089 -6.341 -4.881 0.00 0.00 WAT1 ATOM 4961 H1 TIP3 973 53.834 -5.753 -5.001 0.00 0.00 WAT1 ATOM 4962 H2 TIP3 973 52.332 -5.759 -4.818 0.00 0.00 WAT1 ATOM 4963 OH2 TIP3 974 41.531 -9.027 -2.277 0.00 0.00 WAT1 ATOM 4964 H1 TIP3 974 41.939 -9.884 -2.398 0.00 0.00 WAT1 ATOM 4965 H2 TIP3 974 41.271 -9.012 -1.356 0.00 0.00 WAT1 ATOM 4966 OH2 TIP3 975 47.812 -8.854 -6.088 0.00 0.00 WAT1 ATOM 4967 H1 TIP3 975 48.563 -9.010 -6.661 0.00 0.00 WAT1 ATOM 4968 H2 TIP3 975 47.473 -8.002 -6.364 0.00 0.00 WAT1 ATOM 4969 OH2 TIP3 976 48.300 -12.515 -2.333 0.00 0.00 WAT1 ATOM 4970 H1 TIP3 976 48.064 -12.735 -1.431 0.00 0.00 WAT1 ATOM 4971 H2 TIP3 976 47.517 -12.722 -2.842 0.00 0.00 WAT1 ATOM 4972 OH2 TIP3 977 51.016 -13.388 -3.257 0.00 0.00 WAT1 ATOM 4973 H1 TIP3 977 50.068 -13.356 -3.125 0.00 0.00 WAT1 ATOM 4974 H2 TIP3 977 51.328 -14.013 -2.603 0.00 0.00 WAT1 ATOM 4975 OH2 TIP3 978 47.258 -17.543 -3.225 0.00 0.00 WAT1 ATOM 4976 H1 TIP3 978 47.970 -18.183 -3.239 0.00 0.00 WAT1 ATOM 4977 H2 TIP3 978 47.157 -17.276 -4.139 0.00 0.00 WAT1 ATOM 4978 OH2 TIP3 979 47.611 -15.860 -1.171 0.00 0.00 WAT1 ATOM 4979 H1 TIP3 979 47.480 -16.336 -1.992 0.00 0.00 WAT1 ATOM 4980 H2 TIP3 979 47.012 -15.116 -1.227 0.00 0.00 WAT1 ATOM 4981 OH2 TIP3 980 57.794 -0.058 -8.650 0.00 0.00 WAT1 ATOM 4982 H1 TIP3 980 57.772 0.127 -7.711 0.00 0.00 WAT1 ATOM 4983 H2 TIP3 980 58.484 0.511 -8.991 0.00 0.00 WAT1 ATOM 4984 OH2 TIP3 981 57.357 -0.491 -5.728 0.00 0.00 WAT1 ATOM 4985 H1 TIP3 981 56.870 -1.226 -6.099 0.00 0.00 WAT1 ATOM 4986 H2 TIP3 981 57.906 -0.884 -5.050 0.00 0.00 WAT1 ATOM 4987 OH2 TIP3 982 57.262 -5.606 -8.804 0.00 0.00 WAT1 ATOM 4988 H1 TIP3 982 58.096 -5.984 -9.085 0.00 0.00 WAT1 ATOM 4989 H2 TIP3 982 57.374 -4.663 -8.923 0.00 0.00 WAT1 ATOM 4990 OH2 TIP3 983 55.749 -2.728 -6.497 0.00 0.00 WAT1 ATOM 4991 H1 TIP3 983 55.101 -2.403 -5.872 0.00 0.00 WAT1 ATOM 4992 H2 TIP3 983 55.231 -3.168 -7.172 0.00 0.00 WAT1 ATOM 4993 OH2 TIP3 984 55.641 -10.969 -6.515 0.00 0.00 WAT1 ATOM 4994 H1 TIP3 984 54.798 -10.701 -6.149 0.00 0.00 WAT1 ATOM 4995 H2 TIP3 984 56.084 -10.147 -6.726 0.00 0.00 WAT1 ATOM 4996 OH2 TIP3 985 41.917 -3.039 -2.535 0.00 0.00 WAT1 ATOM 4997 H1 TIP3 985 41.096 -2.864 -2.995 0.00 0.00 WAT1 ATOM 4998 H2 TIP3 985 41.665 -3.112 -1.614 0.00 0.00 WAT1 ATOM 4999 OH2 TIP3 986 54.383 1.128 -6.783 0.00 0.00 WAT1 ATOM 5000 H1 TIP3 986 54.201 2.044 -6.994 0.00 0.00 WAT1 ATOM 5001 H2 TIP3 986 54.559 0.718 -7.630 0.00 0.00 WAT1 ATOM 5002 OH2 TIP3 987 55.017 -17.234 -10.558 0.00 0.00 WAT1 ATOM 5003 H1 TIP3 987 55.621 -16.686 -11.059 0.00 0.00 WAT1 ATOM 5004 H2 TIP3 987 54.148 -16.914 -10.798 0.00 0.00 WAT1 ATOM 5005 OH2 TIP3 988 49.328 -14.026 0.355 0.00 0.00 WAT1 ATOM 5006 H1 TIP3 988 49.074 -14.007 1.278 0.00 0.00 WAT1 ATOM 5007 H2 TIP3 988 49.071 -14.898 0.054 0.00 0.00 WAT1 ATOM 5008 OH2 TIP3 989 46.210 -13.581 -0.544 0.00 0.00 WAT1 ATOM 5009 H1 TIP3 989 45.779 -14.026 0.186 0.00 0.00 WAT1 ATOM 5010 H2 TIP3 989 45.492 -13.209 -1.056 0.00 0.00 WAT1 ATOM 5011 OH2 TIP3 990 40.727 -13.093 1.932 0.00 0.00 WAT1 ATOM 5012 H1 TIP3 990 41.201 -12.502 1.347 0.00 0.00 WAT1 ATOM 5013 H2 TIP3 990 40.009 -12.562 2.279 0.00 0.00 WAT1 ATOM 5014 OH2 TIP3 991 44.828 -10.803 0.839 0.00 0.00 WAT1 ATOM 5015 H1 TIP3 991 44.286 -11.183 0.148 0.00 0.00 WAT1 ATOM 5016 H2 TIP3 991 45.662 -10.609 0.410 0.00 0.00 WAT1 ATOM 5017 OH2 TIP3 992 41.418 -8.563 0.536 0.00 0.00 WAT1 ATOM 5018 H1 TIP3 992 42.034 -7.936 0.915 0.00 0.00 WAT1 ATOM 5019 H2 TIP3 992 40.556 -8.247 0.807 0.00 0.00 WAT1 ATOM 5020 OH2 TIP3 993 47.443 -3.473 -0.938 0.00 0.00 WAT1 ATOM 5021 H1 TIP3 993 47.682 -4.221 -1.486 0.00 0.00 WAT1 ATOM 5022 H2 TIP3 993 47.174 -3.861 -0.106 0.00 0.00 WAT1 ATOM 5023 OH2 TIP3 994 46.380 -3.903 1.518 0.00 0.00 WAT1 ATOM 5024 H1 TIP3 994 46.527 -4.423 2.308 0.00 0.00 WAT1 ATOM 5025 H2 TIP3 994 46.377 -2.996 1.824 0.00 0.00 WAT1 ATOM 5026 OH2 TIP3 995 46.456 -1.162 2.249 0.00 0.00 WAT1 ATOM 5027 H1 TIP3 995 46.617 -0.362 1.748 0.00 0.00 WAT1 ATOM 5028 H2 TIP3 995 46.259 -0.855 3.134 0.00 0.00 WAT1 ATOM 5029 OH2 TIP3 996 45.190 -14.464 1.865 0.00 0.00 WAT1 ATOM 5030 H1 TIP3 996 45.107 -13.575 2.211 0.00 0.00 WAT1 ATOM 5031 H2 TIP3 996 46.080 -14.729 2.096 0.00 0.00 WAT1 ATOM 5032 OH2 TIP3 997 43.449 -4.036 0.925 0.00 0.00 WAT1 ATOM 5033 H1 TIP3 997 44.041 -3.337 1.201 0.00 0.00 WAT1 ATOM 5034 H2 TIP3 997 43.908 -4.469 0.206 0.00 0.00 WAT1 ATOM 5035 OH2 TIP3 998 41.765 -11.372 0.041 0.00 0.00 WAT1 ATOM 5036 H1 TIP3 998 41.720 -10.433 0.220 0.00 0.00 WAT1 ATOM 5037 H2 TIP3 998 40.877 -11.608 -0.229 0.00 0.00 WAT1 ATOM 5038 OH2 TIP3 999 49.481 -1.610 -0.800 0.00 0.00 WAT1 ATOM 5039 H1 TIP3 999 48.837 -2.241 -0.478 0.00 0.00 WAT1 ATOM 5040 H2 TIP3 999 50.243 -2.141 -1.032 0.00 0.00 WAT1 ATOM 5041 OH2 TIP3 1000 45.040 -5.883 -0.709 0.00 0.00 WAT1 ATOM 5042 H1 TIP3 1000 45.104 -6.677 -0.178 0.00 0.00 WAT1 ATOM 5043 H2 TIP3 1000 45.693 -6.002 -1.398 0.00 0.00 WAT1 ATOM 5044 OH2 TIP3 1001 50.392 -4.836 -0.973 0.00 0.00 WAT1 ATOM 5045 H1 TIP3 1001 50.124 -4.656 -0.072 0.00 0.00 WAT1 ATOM 5046 H2 TIP3 1001 50.186 -5.762 -1.104 0.00 0.00 WAT1 ATOM 5047 OH2 TIP3 1002 47.260 -9.668 -0.140 0.00 0.00 WAT1 ATOM 5048 H1 TIP3 1002 47.080 -9.822 -1.068 0.00 0.00 WAT1 ATOM 5049 H2 TIP3 1002 48.211 -9.560 -0.096 0.00 0.00 WAT1 ATOM 5050 OH2 TIP3 1003 47.158 1.023 0.861 0.00 0.00 WAT1 ATOM 5051 H1 TIP3 1003 48.091 1.181 1.005 0.00 0.00 WAT1 ATOM 5052 H2 TIP3 1003 46.894 1.698 0.236 0.00 0.00 WAT1 ATOM 5053 OH2 TIP3 1004 41.038 -16.909 1.811 0.00 0.00 WAT1 ATOM 5054 H1 TIP3 1004 41.477 -16.298 1.220 0.00 0.00 WAT1 ATOM 5055 H2 TIP3 1004 40.404 -16.371 2.285 0.00 0.00 WAT1 ATOM 5056 OH2 TIP3 1005 42.899 -14.993 0.254 0.00 0.00 WAT1 ATOM 5057 H1 TIP3 1005 43.390 -15.623 -0.274 0.00 0.00 WAT1 ATOM 5058 H2 TIP3 1005 43.522 -14.697 0.917 0.00 0.00 WAT1 ATOM 5059 OH2 TIP3 1006 49.803 0.249 1.106 0.00 0.00 WAT1 ATOM 5060 H1 TIP3 1006 50.669 0.615 0.928 0.00 0.00 WAT1 ATOM 5061 H2 TIP3 1006 49.556 -0.191 0.293 0.00 0.00 WAT1 ATOM 5062 OH2 TIP3 1007 42.757 -0.041 -0.266 0.00 0.00 WAT1 ATOM 5063 H1 TIP3 1007 42.489 0.246 0.607 0.00 0.00 WAT1 ATOM 5064 H2 TIP3 1007 43.528 -0.587 -0.114 0.00 0.00 WAT1 ATOM 5065 OH2 TIP3 1008 43.708 4.406 -45.103 0.00 0.00 WAT1 ATOM 5066 H1 TIP3 1008 43.489 4.936 -45.869 0.00 0.00 WAT1 ATOM 5067 H2 TIP3 1008 43.040 4.633 -44.455 0.00 0.00 WAT1 ATOM 5068 OH2 TIP3 1009 54.731 3.625 -45.116 0.00 0.00 WAT1 ATOM 5069 H1 TIP3 1009 53.995 4.236 -45.154 0.00 0.00 WAT1 ATOM 5070 H2 TIP3 1009 55.415 4.040 -45.642 0.00 0.00 WAT1 ATOM 5071 OH2 TIP3 1010 47.734 1.712 -47.650 0.00 0.00 WAT1 ATOM 5072 H1 TIP3 1010 47.617 0.763 -47.704 0.00 0.00 WAT1 ATOM 5073 H2 TIP3 1010 46.879 2.044 -47.377 0.00 0.00 WAT1 ATOM 5074 OH2 TIP3 1011 45.003 2.615 -46.872 0.00 0.00 WAT1 ATOM 5075 H1 TIP3 1011 44.142 2.528 -47.280 0.00 0.00 WAT1 ATOM 5076 H2 TIP3 1011 44.981 3.471 -46.445 0.00 0.00 WAT1 ATOM 5077 OH2 TIP3 1012 49.666 2.337 -43.498 0.00 0.00 WAT1 ATOM 5078 H1 TIP3 1012 50.086 1.922 -42.745 0.00 0.00 WAT1 ATOM 5079 H2 TIP3 1012 48.733 2.159 -43.381 0.00 0.00 WAT1 ATOM 5080 OH2 TIP3 1013 52.992 6.093 -42.644 0.00 0.00 WAT1 ATOM 5081 H1 TIP3 1013 52.478 5.967 -41.847 0.00 0.00 WAT1 ATOM 5082 H2 TIP3 1013 52.837 7.005 -42.889 0.00 0.00 WAT1 ATOM 5083 OH2 TIP3 1014 49.729 8.393 -40.560 0.00 0.00 WAT1 ATOM 5084 H1 TIP3 1014 49.166 7.689 -40.240 0.00 0.00 WAT1 ATOM 5085 H2 TIP3 1014 50.555 8.273 -40.093 0.00 0.00 WAT1 ATOM 5086 OH2 TIP3 1015 42.844 7.901 -43.910 0.00 0.00 WAT1 ATOM 5087 H1 TIP3 1015 42.806 8.301 -43.042 0.00 0.00 WAT1 ATOM 5088 H2 TIP3 1015 42.353 7.084 -43.820 0.00 0.00 WAT1 ATOM 5089 OH2 TIP3 1016 52.078 4.464 -46.515 0.00 0.00 WAT1 ATOM 5090 H1 TIP3 1016 51.401 4.595 -45.851 0.00 0.00 WAT1 ATOM 5091 H2 TIP3 1016 51.592 4.309 -47.325 0.00 0.00 WAT1 ATOM 5092 OH2 TIP3 1017 47.619 6.405 -45.478 0.00 0.00 WAT1 ATOM 5093 H1 TIP3 1017 46.784 6.859 -45.368 0.00 0.00 WAT1 ATOM 5094 H2 TIP3 1017 48.143 6.681 -44.726 0.00 0.00 WAT1 ATOM 5095 OH2 TIP3 1018 41.930 5.127 -43.151 0.00 0.00 WAT1 ATOM 5096 H1 TIP3 1018 41.037 5.466 -43.218 0.00 0.00 WAT1 ATOM 5097 H2 TIP3 1018 41.831 4.272 -42.733 0.00 0.00 WAT1 ATOM 5098 OH2 TIP3 1019 50.665 4.868 -44.261 0.00 0.00 WAT1 ATOM 5099 H1 TIP3 1019 51.363 4.942 -43.611 0.00 0.00 WAT1 ATOM 5100 H2 TIP3 1019 50.284 4.004 -44.106 0.00 0.00 WAT1 ATOM 5101 OH2 TIP3 1020 49.185 7.234 -43.144 0.00 0.00 WAT1 ATOM 5102 H1 TIP3 1020 49.304 7.808 -42.387 0.00 0.00 WAT1 ATOM 5103 H2 TIP3 1020 49.840 6.546 -43.029 0.00 0.00 WAT1 ATOM 5104 OH2 TIP3 1021 42.573 2.266 -47.854 0.00 0.00 WAT1 ATOM 5105 H1 TIP3 1021 42.344 2.325 -48.781 0.00 0.00 WAT1 ATOM 5106 H2 TIP3 1021 42.130 1.474 -47.547 0.00 0.00 WAT1 ATOM 5107 OH2 TIP3 1022 45.478 8.838 -42.615 0.00 0.00 WAT1 ATOM 5108 H1 TIP3 1022 44.860 9.513 -42.334 0.00 0.00 WAT1 ATOM 5109 H2 TIP3 1022 45.822 9.159 -43.448 0.00 0.00 WAT1 ATOM 5110 OH2 TIP3 1023 45.818 6.193 -41.532 0.00 0.00 WAT1 ATOM 5111 H1 TIP3 1023 45.968 5.464 -42.135 0.00 0.00 WAT1 ATOM 5112 H2 TIP3 1023 45.820 6.970 -42.091 0.00 0.00 WAT1 ATOM 5113 OH2 TIP3 1024 46.230 4.563 -44.040 0.00 0.00 WAT1 ATOM 5114 H1 TIP3 1024 46.766 5.014 -44.692 0.00 0.00 WAT1 ATOM 5115 H2 TIP3 1024 45.378 4.455 -44.462 0.00 0.00 WAT1 ATOM 5116 OH2 TIP3 1025 52.228 7.817 -38.772 0.00 0.00 WAT1 ATOM 5117 H1 TIP3 1025 52.420 6.886 -38.883 0.00 0.00 WAT1 ATOM 5118 H2 TIP3 1025 53.085 8.242 -38.782 0.00 0.00 WAT1 ATOM 5119 OH2 TIP3 1026 44.296 7.391 -39.621 0.00 0.00 WAT1 ATOM 5120 H1 TIP3 1026 43.529 6.859 -39.831 0.00 0.00 WAT1 ATOM 5121 H2 TIP3 1026 44.975 7.081 -40.220 0.00 0.00 WAT1 ATOM 5122 OH2 TIP3 1027 47.036 2.019 -43.608 0.00 0.00 WAT1 ATOM 5123 H1 TIP3 1027 46.938 2.966 -43.714 0.00 0.00 WAT1 ATOM 5124 H2 TIP3 1027 46.293 1.647 -44.084 0.00 0.00 WAT1 ATOM 5125 OH2 TIP3 1028 48.300 6.341 -40.045 0.00 0.00 WAT1 ATOM 5126 H1 TIP3 1028 48.064 6.121 -39.143 0.00 0.00 WAT1 ATOM 5127 H2 TIP3 1028 47.517 6.134 -40.554 0.00 0.00 WAT1 ATOM 5128 OH2 TIP3 1029 51.016 5.468 -40.969 0.00 0.00 WAT1 ATOM 5129 H1 TIP3 1029 50.068 5.500 -40.837 0.00 0.00 WAT1 ATOM 5130 H2 TIP3 1029 51.328 4.843 -40.315 0.00 0.00 WAT1 ATOM 5131 OH2 TIP3 1030 52.650 4.102 -38.964 0.00 0.00 WAT1 ATOM 5132 H1 TIP3 1030 52.553 3.150 -38.970 0.00 0.00 WAT1 ATOM 5133 H2 TIP3 1030 52.328 4.371 -38.103 0.00 0.00 WAT1 ATOM 5134 OH2 TIP3 1031 39.923 6.335 -40.750 0.00 0.00 WAT1 ATOM 5135 H1 TIP3 1031 40.842 6.213 -40.514 0.00 0.00 WAT1 ATOM 5136 H2 TIP3 1031 39.473 5.585 -40.361 0.00 0.00 WAT1 ATOM 5137 OH2 TIP3 1032 57.924 1.867 -38.873 0.00 0.00 WAT1 ATOM 5138 H1 TIP3 1032 58.274 1.213 -39.479 0.00 0.00 WAT1 ATOM 5139 H2 TIP3 1032 58.071 2.704 -39.313 0.00 0.00 WAT1 ATOM 5140 OH2 TIP3 1033 39.725 2.642 -44.391 0.00 0.00 WAT1 ATOM 5141 H1 TIP3 1033 39.060 2.396 -43.748 0.00 0.00 WAT1 ATOM 5142 H2 TIP3 1033 39.282 3.264 -44.968 0.00 0.00 WAT1 ATOM 5143 OH2 TIP3 1034 56.445 2.066 -42.705 0.00 0.00 WAT1 ATOM 5144 H1 TIP3 1034 55.632 2.391 -43.093 0.00 0.00 WAT1 ATOM 5145 H2 TIP3 1034 56.678 1.306 -43.238 0.00 0.00 WAT1 ATOM 5146 OH2 TIP3 1035 49.875 3.515 -48.382 0.00 0.00 WAT1 ATOM 5147 H1 TIP3 1035 49.200 2.886 -48.127 0.00 0.00 WAT1 ATOM 5148 H2 TIP3 1035 50.439 3.031 -48.985 0.00 0.00 WAT1 ATOM 5149 OH2 TIP3 1036 55.017 1.622 -48.270 0.00 0.00 WAT1 ATOM 5150 H1 TIP3 1036 55.621 2.170 -48.771 0.00 0.00 WAT1 ATOM 5151 H2 TIP3 1036 54.148 1.942 -48.510 0.00 0.00 WAT1 ATOM 5152 OH2 TIP3 1037 46.781 2.076 -50.747 0.00 0.00 WAT1 ATOM 5153 H1 TIP3 1037 47.655 2.464 -50.777 0.00 0.00 WAT1 ATOM 5154 H2 TIP3 1037 46.645 1.861 -49.824 0.00 0.00 WAT1 ATOM 5155 OH2 TIP3 1038 52.338 2.106 -49.098 0.00 0.00 WAT1 ATOM 5156 H1 TIP3 1038 52.414 2.201 -50.047 0.00 0.00 WAT1 ATOM 5157 H2 TIP3 1038 52.062 1.198 -48.969 0.00 0.00 WAT1 ATOM 5158 OH2 TIP3 1039 51.280 11.305 -31.746 0.00 0.00 WAT1 ATOM 5159 H1 TIP3 1039 51.369 12.249 -31.878 0.00 0.00 WAT1 ATOM 5160 H2 TIP3 1039 50.641 11.030 -32.404 0.00 0.00 WAT1 ATOM 5161 OH2 TIP3 1040 50.213 10.560 -28.327 0.00 0.00 WAT1 ATOM 5162 H1 TIP3 1040 50.175 9.914 -27.622 0.00 0.00 WAT1 ATOM 5163 H2 TIP3 1040 49.890 10.094 -29.098 0.00 0.00 WAT1 ATOM 5164 OH2 TIP3 1041 42.581 10.175 -26.734 0.00 0.00 WAT1 ATOM 5165 H1 TIP3 1041 42.623 9.549 -26.010 0.00 0.00 WAT1 ATOM 5166 H2 TIP3 1041 43.284 10.798 -26.552 0.00 0.00 WAT1 ATOM 5167 OH2 TIP3 1042 40.115 8.285 -32.806 0.00 0.00 WAT1 ATOM 5168 H1 TIP3 1042 39.667 9.131 -32.824 0.00 0.00 WAT1 ATOM 5169 H2 TIP3 1042 39.554 7.705 -33.321 0.00 0.00 WAT1 ATOM 5170 OH2 TIP3 1043 40.825 10.447 -30.680 0.00 0.00 WAT1 ATOM 5171 H1 TIP3 1043 41.039 9.677 -30.153 0.00 0.00 WAT1 ATOM 5172 H2 TIP3 1043 41.563 10.536 -31.283 0.00 0.00 WAT1 ATOM 5173 OH2 TIP3 1044 57.265 4.594 -27.060 0.00 0.00 WAT1 ATOM 5174 H1 TIP3 1044 57.314 5.204 -26.324 0.00 0.00 WAT1 ATOM 5175 H2 TIP3 1044 57.691 5.055 -27.783 0.00 0.00 WAT1 ATOM 5176 OH2 TIP3 1045 51.743 7.387 -27.593 0.00 0.00 WAT1 ATOM 5177 H1 TIP3 1045 51.886 6.440 -27.573 0.00 0.00 WAT1 ATOM 5178 H2 TIP3 1045 51.637 7.594 -28.522 0.00 0.00 WAT1 ATOM 5179 OH2 TIP3 1046 44.898 5.488 -30.321 0.00 0.00 WAT1 ATOM 5180 H1 TIP3 1046 44.941 6.348 -30.739 0.00 0.00 WAT1 ATOM 5181 H2 TIP3 1046 44.440 4.936 -30.954 0.00 0.00 WAT1 ATOM 5182 OH2 TIP3 1047 52.620 5.619 -31.920 0.00 0.00 WAT1 ATOM 5183 H1 TIP3 1047 53.266 5.290 -31.295 0.00 0.00 WAT1 ATOM 5184 H2 TIP3 1047 53.130 6.137 -32.543 0.00 0.00 WAT1 ATOM 5185 OH2 TIP3 1048 46.674 9.435 -30.343 0.00 0.00 WAT1 ATOM 5186 H1 TIP3 1048 47.290 8.909 -29.834 0.00 0.00 WAT1 ATOM 5187 H2 TIP3 1048 46.088 8.795 -30.747 0.00 0.00 WAT1 ATOM 5188 OH2 TIP3 1049 57.657 6.072 -24.824 0.00 0.00 WAT1 ATOM 5189 H1 TIP3 1049 56.968 6.730 -24.919 0.00 0.00 WAT1 ATOM 5190 H2 TIP3 1049 57.672 5.875 -23.887 0.00 0.00 WAT1 ATOM 5191 OH2 TIP3 1050 46.277 12.082 -25.959 0.00 0.00 WAT1 ATOM 5192 H1 TIP3 1050 45.537 12.680 -25.856 0.00 0.00 WAT1 ATOM 5193 H2 TIP3 1050 46.991 12.636 -26.275 0.00 0.00 WAT1 ATOM 5194 OH2 TIP3 1051 50.055 9.007 -37.255 0.00 0.00 WAT1 ATOM 5195 H1 TIP3 1051 50.756 9.029 -36.604 0.00 0.00 WAT1 ATOM 5196 H2 TIP3 1051 50.357 8.379 -37.911 0.00 0.00 WAT1 ATOM 5197 OH2 TIP3 1052 53.304 8.933 -24.274 0.00 0.00 WAT1 ATOM 5198 H1 TIP3 1052 53.384 9.696 -23.702 0.00 0.00 WAT1 ATOM 5199 H2 TIP3 1052 52.703 9.212 -24.965 0.00 0.00 WAT1 ATOM 5200 OH2 TIP3 1053 45.419 10.158 -27.826 0.00 0.00 WAT1 ATOM 5201 H1 TIP3 1053 45.984 10.279 -28.589 0.00 0.00 WAT1 ATOM 5202 H2 TIP3 1053 45.738 10.795 -27.187 0.00 0.00 WAT1 ATOM 5203 OH2 TIP3 1054 43.219 10.755 -23.880 0.00 0.00 WAT1 ATOM 5204 H1 TIP3 1054 43.289 11.406 -23.182 0.00 0.00 WAT1 ATOM 5205 H2 TIP3 1054 42.328 10.858 -24.215 0.00 0.00 WAT1 ATOM 5206 OH2 TIP3 1055 55.976 1.671 -35.844 0.00 0.00 WAT1 ATOM 5207 H1 TIP3 1055 55.077 1.810 -35.549 0.00 0.00 WAT1 ATOM 5208 H2 TIP3 1055 56.228 2.502 -36.246 0.00 0.00 WAT1 ATOM 5209 OH2 TIP3 1056 44.042 10.459 -33.870 0.00 0.00 WAT1 ATOM 5210 H1 TIP3 1056 43.750 11.227 -34.361 0.00 0.00 WAT1 ATOM 5211 H2 TIP3 1056 43.368 9.799 -34.033 0.00 0.00 WAT1 ATOM 5212 OH2 TIP3 1057 40.135 12.822 -25.055 0.00 0.00 WAT1 ATOM 5213 H1 TIP3 1057 39.634 12.794 -25.870 0.00 0.00 WAT1 ATOM 5214 H2 TIP3 1057 40.141 11.916 -24.745 0.00 0.00 WAT1 ATOM 5215 OH2 TIP3 1058 49.328 4.830 -37.357 0.00 0.00 WAT1 ATOM 5216 H1 TIP3 1058 49.074 4.849 -36.434 0.00 0.00 WAT1 ATOM 5217 H2 TIP3 1058 49.071 3.958 -37.658 0.00 0.00 WAT1 ATOM 5218 OH2 TIP3 1059 45.094 7.581 -26.921 0.00 0.00 WAT1 ATOM 5219 H1 TIP3 1059 44.452 7.540 -26.212 0.00 0.00 WAT1 ATOM 5220 H2 TIP3 1059 45.131 8.507 -27.159 0.00 0.00 WAT1 ATOM 5221 OH2 TIP3 1060 45.091 7.802 -32.009 0.00 0.00 WAT1 ATOM 5222 H1 TIP3 1060 44.198 7.461 -32.068 0.00 0.00 WAT1 ATOM 5223 H2 TIP3 1060 45.542 7.425 -32.765 0.00 0.00 WAT1 ATOM 5224 OH2 TIP3 1061 50.627 8.218 -33.192 0.00 0.00 WAT1 ATOM 5225 H1 TIP3 1061 50.218 9.033 -33.484 0.00 0.00 WAT1 ATOM 5226 H2 TIP3 1061 51.347 8.078 -33.807 0.00 0.00 WAT1 ATOM 5227 OH2 TIP3 1062 51.631 7.664 -30.378 0.00 0.00 WAT1 ATOM 5228 H1 TIP3 1062 51.436 8.269 -31.093 0.00 0.00 WAT1 ATOM 5229 H2 TIP3 1062 51.813 6.830 -30.813 0.00 0.00 WAT1 ATOM 5230 OH2 TIP3 1063 39.452 5.017 -31.204 0.00 0.00 WAT1 ATOM 5231 H1 TIP3 1063 40.083 4.988 -30.484 0.00 0.00 WAT1 ATOM 5232 H2 TIP3 1063 39.902 4.592 -31.934 0.00 0.00 WAT1 ATOM 5233 OH2 TIP3 1064 40.727 5.763 -35.780 0.00 0.00 WAT1 ATOM 5234 H1 TIP3 1064 41.201 6.354 -36.365 0.00 0.00 WAT1 ATOM 5235 H2 TIP3 1064 40.009 6.294 -35.433 0.00 0.00 WAT1 ATOM 5236 OH2 TIP3 1065 50.895 9.302 -25.707 0.00 0.00 WAT1 ATOM 5237 H1 TIP3 1065 51.219 8.671 -26.350 0.00 0.00 WAT1 ATOM 5238 H2 TIP3 1065 50.455 8.767 -25.046 0.00 0.00 WAT1 ATOM 5239 OH2 TIP3 1066 42.501 6.858 -32.096 0.00 0.00 WAT1 ATOM 5240 H1 TIP3 1066 41.612 6.958 -32.436 0.00 0.00 WAT1 ATOM 5241 H2 TIP3 1066 42.797 6.016 -32.442 0.00 0.00 WAT1 ATOM 5242 OH2 TIP3 1067 44.828 8.053 -36.873 0.00 0.00 WAT1 ATOM 5243 H1 TIP3 1067 44.286 7.673 -37.564 0.00 0.00 WAT1 ATOM 5244 H2 TIP3 1067 45.662 8.247 -37.302 0.00 0.00 WAT1 ATOM 5245 OH2 TIP3 1068 42.963 12.610 -21.774 0.00 0.00 WAT1 ATOM 5246 H1 TIP3 1068 43.696 12.864 -21.213 0.00 0.00 WAT1 ATOM 5247 H2 TIP3 1068 42.183 12.814 -21.259 0.00 0.00 WAT1 ATOM 5248 OH2 TIP3 1069 52.061 5.432 -36.738 0.00 0.00 WAT1 ATOM 5249 H1 TIP3 1069 51.123 5.544 -36.889 0.00 0.00 WAT1 ATOM 5250 H2 TIP3 1069 52.358 6.289 -36.432 0.00 0.00 WAT1 ATOM 5251 OH2 TIP3 1070 49.683 12.802 -23.700 0.00 0.00 WAT1 ATOM 5252 H1 TIP3 1070 49.337 12.421 -22.894 0.00 0.00 WAT1 ATOM 5253 H2 TIP3 1070 49.483 13.736 -23.629 0.00 0.00 WAT1 ATOM 5254 OH2 TIP3 1071 52.779 7.299 -35.077 0.00 0.00 WAT1 ATOM 5255 H1 TIP3 1071 53.671 7.162 -34.758 0.00 0.00 WAT1 ATOM 5256 H2 TIP3 1071 52.836 8.090 -35.614 0.00 0.00 WAT1 ATOM 5257 OH2 TIP3 1072 43.288 11.913 -29.168 0.00 0.00 WAT1 ATOM 5258 H1 TIP3 1072 44.033 11.911 -29.769 0.00 0.00 WAT1 ATOM 5259 H2 TIP3 1072 43.366 11.089 -28.686 0.00 0.00 WAT1 ATOM 5260 OH2 TIP3 1073 40.296 10.374 -23.853 0.00 0.00 WAT1 ATOM 5261 H1 TIP3 1073 40.519 9.956 -23.021 0.00 0.00 WAT1 ATOM 5262 H2 TIP3 1073 39.694 9.761 -24.275 0.00 0.00 WAT1 ATOM 5263 OH2 TIP3 1074 47.313 9.891 -21.640 0.00 0.00 WAT1 ATOM 5264 H1 TIP3 1074 47.017 9.725 -22.535 0.00 0.00 WAT1 ATOM 5265 H2 TIP3 1074 48.244 9.671 -21.650 0.00 0.00 WAT1 ATOM 5266 OH2 TIP3 1075 51.449 4.520 -34.308 0.00 0.00 WAT1 ATOM 5267 H1 TIP3 1075 51.669 4.992 -35.111 0.00 0.00 WAT1 ATOM 5268 H2 TIP3 1075 52.007 4.915 -33.637 0.00 0.00 WAT1 ATOM 5269 OH2 TIP3 1076 48.649 6.248 -33.473 0.00 0.00 WAT1 ATOM 5270 H1 TIP3 1076 49.461 6.752 -33.427 0.00 0.00 WAT1 ATOM 5271 H2 TIP3 1076 48.404 6.103 -32.559 0.00 0.00 WAT1 ATOM 5272 OH2 TIP3 1077 53.991 8.892 -29.357 0.00 0.00 WAT1 ATOM 5273 H1 TIP3 1077 53.194 8.477 -29.686 0.00 0.00 WAT1 ATOM 5274 H2 TIP3 1077 54.436 8.201 -28.866 0.00 0.00 WAT1 ATOM 5275 OH2 TIP3 1078 41.765 7.484 -37.671 0.00 0.00 WAT1 ATOM 5276 H1 TIP3 1078 41.720 8.423 -37.492 0.00 0.00 WAT1 ATOM 5277 H2 TIP3 1078 40.877 7.248 -37.941 0.00 0.00 WAT1 ATOM 5278 OH2 TIP3 1079 40.699 12.629 -20.553 0.00 0.00 WAT1 ATOM 5279 H1 TIP3 1079 40.843 11.727 -20.839 0.00 0.00 WAT1 ATOM 5280 H2 TIP3 1079 39.926 12.915 -21.041 0.00 0.00 WAT1 ATOM 5281 OH2 TIP3 1080 47.354 12.599 -21.120 0.00 0.00 WAT1 ATOM 5282 H1 TIP3 1080 47.026 12.870 -21.978 0.00 0.00 WAT1 ATOM 5283 H2 TIP3 1080 47.506 11.658 -21.208 0.00 0.00 WAT1 ATOM 5284 OH2 TIP3 1081 46.189 10.945 -36.115 0.00 0.00 WAT1 ATOM 5285 H1 TIP3 1081 45.730 10.461 -35.429 0.00 0.00 WAT1 ATOM 5286 H2 TIP3 1081 46.444 10.277 -36.751 0.00 0.00 WAT1 ATOM 5287 OH2 TIP3 1082 45.478 8.838 -23.759 0.00 0.00 WAT1 ATOM 5288 H1 TIP3 1082 44.860 9.513 -23.478 0.00 0.00 WAT1 ATOM 5289 H2 TIP3 1082 45.822 9.159 -24.592 0.00 0.00 WAT1 ATOM 5290 OH2 TIP3 1083 47.260 9.188 -37.852 0.00 0.00 WAT1 ATOM 5291 H1 TIP3 1083 47.080 9.034 -38.780 0.00 0.00 WAT1 ATOM 5292 H2 TIP3 1083 48.211 9.296 -37.808 0.00 0.00 WAT1 ATOM 5293 OH2 TIP3 1084 50.498 11.309 -20.481 0.00 0.00 WAT1 ATOM 5294 H1 TIP3 1084 51.451 11.393 -20.509 0.00 0.00 WAT1 ATOM 5295 H2 TIP3 1084 50.338 10.598 -19.862 0.00 0.00 WAT1 ATOM 5296 OH2 TIP3 1085 47.812 10.002 -24.944 0.00 0.00 WAT1 ATOM 5297 H1 TIP3 1085 48.563 9.846 -25.517 0.00 0.00 WAT1 ATOM 5298 H2 TIP3 1085 47.473 10.854 -25.220 0.00 0.00 WAT1 ATOM 5299 OH2 TIP3 1086 53.544 10.606 -21.838 0.00 0.00 WAT1 ATOM 5300 H1 TIP3 1086 53.263 11.315 -22.416 0.00 0.00 WAT1 ATOM 5301 H2 TIP3 1086 54.487 10.533 -21.989 0.00 0.00 WAT1 ATOM 5302 OH2 TIP3 1087 40.325 11.064 -28.035 0.00 0.00 WAT1 ATOM 5303 H1 TIP3 1087 40.509 10.982 -28.970 0.00 0.00 WAT1 ATOM 5304 H2 TIP3 1087 41.174 10.940 -27.611 0.00 0.00 WAT1 ATOM 5305 OH2 TIP3 1088 56.146 10.956 -22.406 0.00 0.00 WAT1 ATOM 5306 H1 TIP3 1088 56.729 10.222 -22.215 0.00 0.00 WAT1 ATOM 5307 H2 TIP3 1088 56.710 11.728 -22.360 0.00 0.00 WAT1 ATOM 5308 OH2 TIP3 1089 57.643 8.859 -21.722 0.00 0.00 WAT1 ATOM 5309 H1 TIP3 1089 56.780 8.480 -21.887 0.00 0.00 WAT1 ATOM 5310 H2 TIP3 1089 58.247 8.120 -21.796 0.00 0.00 WAT1 ATOM 5311 OH2 TIP3 1090 55.368 5.014 -38.549 0.00 0.00 WAT1 ATOM 5312 H1 TIP3 1090 55.978 4.642 -37.912 0.00 0.00 WAT1 ATOM 5313 H2 TIP3 1090 54.531 4.592 -38.353 0.00 0.00 WAT1 ATOM 5314 OH2 TIP3 1091 55.000 6.569 -33.583 0.00 0.00 WAT1 ATOM 5315 H1 TIP3 1091 55.280 5.662 -33.458 0.00 0.00 WAT1 ATOM 5316 H2 TIP3 1091 55.759 7.003 -33.972 0.00 0.00 WAT1 ATOM 5317 OH2 TIP3 1092 55.612 7.150 -28.147 0.00 0.00 WAT1 ATOM 5318 H1 TIP3 1092 56.545 7.362 -28.181 0.00 0.00 WAT1 ATOM 5319 H2 TIP3 1092 55.377 7.252 -27.224 0.00 0.00 WAT1 ATOM 5320 OH2 TIP3 1093 55.641 7.887 -25.371 0.00 0.00 WAT1 ATOM 5321 H1 TIP3 1093 54.798 8.155 -25.005 0.00 0.00 WAT1 ATOM 5322 H2 TIP3 1093 56.084 8.709 -25.582 0.00 0.00 WAT1 ATOM 5323 OH2 TIP3 1094 55.614 3.832 -33.534 0.00 0.00 WAT1 ATOM 5324 H1 TIP3 1094 55.796 3.383 -32.709 0.00 0.00 WAT1 ATOM 5325 H2 TIP3 1094 55.014 3.247 -33.998 0.00 0.00 WAT1 ATOM 5326 OH2 TIP3 1095 57.480 3.899 -37.006 0.00 0.00 WAT1 ATOM 5327 H1 TIP3 1095 57.893 3.178 -37.482 0.00 0.00 WAT1 ATOM 5328 H2 TIP3 1095 58.162 4.569 -36.948 0.00 0.00 WAT1 ATOM 5329 OH2 TIP3 1096 39.761 3.904 -33.879 0.00 0.00 WAT1 ATOM 5330 H1 TIP3 1096 38.836 4.113 -34.009 0.00 0.00 WAT1 ATOM 5331 H2 TIP3 1096 40.215 4.388 -34.569 0.00 0.00 WAT1 ATOM 5332 OH2 TIP3 1097 56.445 2.066 -23.849 0.00 0.00 WAT1 ATOM 5333 H1 TIP3 1097 55.632 2.391 -24.237 0.00 0.00 WAT1 ATOM 5334 H2 TIP3 1097 56.678 1.306 -24.382 0.00 0.00 WAT1 ATOM 5335 OH2 TIP3 1098 51.280 11.305 -12.890 0.00 0.00 WAT1 ATOM 5336 H1 TIP3 1098 51.369 12.249 -13.022 0.00 0.00 WAT1 ATOM 5337 H2 TIP3 1098 50.641 11.030 -13.548 0.00 0.00 WAT1 ATOM 5338 OH2 TIP3 1099 50.213 10.560 -9.471 0.00 0.00 WAT1 ATOM 5339 H1 TIP3 1099 50.175 9.914 -8.766 0.00 0.00 WAT1 ATOM 5340 H2 TIP3 1099 49.890 10.094 -10.242 0.00 0.00 WAT1 ATOM 5341 OH2 TIP3 1100 48.602 12.993 -9.065 0.00 0.00 WAT1 ATOM 5342 H1 TIP3 1100 48.906 12.307 -9.659 0.00 0.00 WAT1 ATOM 5343 H2 TIP3 1100 49.324 13.111 -8.447 0.00 0.00 WAT1 ATOM 5344 OH2 TIP3 1101 57.265 4.594 -8.204 0.00 0.00 WAT1 ATOM 5345 H1 TIP3 1101 57.314 5.204 -7.468 0.00 0.00 WAT1 ATOM 5346 H2 TIP3 1101 57.691 5.055 -8.927 0.00 0.00 WAT1 ATOM 5347 OH2 TIP3 1102 51.743 7.387 -8.737 0.00 0.00 WAT1 ATOM 5348 H1 TIP3 1102 51.886 6.440 -8.717 0.00 0.00 WAT1 ATOM 5349 H2 TIP3 1102 51.637 7.594 -9.666 0.00 0.00 WAT1 ATOM 5350 OH2 TIP3 1103 57.657 6.072 -5.968 0.00 0.00 WAT1 ATOM 5351 H1 TIP3 1103 56.968 6.730 -6.063 0.00 0.00 WAT1 ATOM 5352 H2 TIP3 1103 57.672 5.875 -5.031 0.00 0.00 WAT1 ATOM 5353 OH2 TIP3 1104 51.077 13.906 -13.847 0.00 0.00 WAT1 ATOM 5354 H1 TIP3 1104 50.781 13.584 -14.698 0.00 0.00 WAT1 ATOM 5355 H2 TIP3 1104 50.753 14.806 -13.805 0.00 0.00 WAT1 ATOM 5356 OH2 TIP3 1105 46.277 12.082 -7.103 0.00 0.00 WAT1 ATOM 5357 H1 TIP3 1105 45.537 12.680 -7.000 0.00 0.00 WAT1 ATOM 5358 H2 TIP3 1105 46.991 12.636 -7.419 0.00 0.00 WAT1 ATOM 5359 OH2 TIP3 1106 44.685 14.046 -6.316 0.00 0.00 WAT1 ATOM 5360 H1 TIP3 1106 44.679 14.925 -6.694 0.00 0.00 WAT1 ATOM 5361 H2 TIP3 1106 43.831 13.963 -5.891 0.00 0.00 WAT1 ATOM 5362 OH2 TIP3 1107 40.806 13.717 -15.534 0.00 0.00 WAT1 ATOM 5363 H1 TIP3 1107 40.534 13.946 -16.423 0.00 0.00 WAT1 ATOM 5364 H2 TIP3 1107 40.851 14.555 -15.074 0.00 0.00 WAT1 ATOM 5365 OH2 TIP3 1108 54.731 3.625 -7.404 0.00 0.00 WAT1 ATOM 5366 H1 TIP3 1108 53.995 4.236 -7.442 0.00 0.00 WAT1 ATOM 5367 H2 TIP3 1108 55.415 4.040 -7.930 0.00 0.00 WAT1 ATOM 5368 OH2 TIP3 1109 50.001 10.549 -15.438 0.00 0.00 WAT1 ATOM 5369 H1 TIP3 1109 49.289 11.084 -15.789 0.00 0.00 WAT1 ATOM 5370 H2 TIP3 1109 50.692 10.605 -16.098 0.00 0.00 WAT1 ATOM 5371 OH2 TIP3 1110 53.407 10.759 -14.486 0.00 0.00 WAT1 ATOM 5372 H1 TIP3 1110 52.675 10.987 -13.913 0.00 0.00 WAT1 ATOM 5373 H2 TIP3 1110 53.854 10.045 -14.031 0.00 0.00 WAT1 ATOM 5374 OH2 TIP3 1111 53.304 8.933 -5.418 0.00 0.00 WAT1 ATOM 5375 H1 TIP3 1111 53.384 9.696 -4.846 0.00 0.00 WAT1 ATOM 5376 H2 TIP3 1111 52.703 9.212 -6.109 0.00 0.00 WAT1 ATOM 5377 OH2 TIP3 1112 46.419 14.817 -9.922 0.00 0.00 WAT1 ATOM 5378 H1 TIP3 1112 46.324 14.239 -10.679 0.00 0.00 WAT1 ATOM 5379 H2 TIP3 1112 47.148 14.446 -9.426 0.00 0.00 WAT1 ATOM 5380 OH2 TIP3 1113 46.299 14.557 -4.253 0.00 0.00 WAT1 ATOM 5381 H1 TIP3 1113 45.987 15.339 -3.797 0.00 0.00 WAT1 ATOM 5382 H2 TIP3 1113 45.649 14.404 -4.939 0.00 0.00 WAT1 ATOM 5383 OH2 TIP3 1114 52.278 9.921 -16.801 0.00 0.00 WAT1 ATOM 5384 H1 TIP3 1114 52.857 10.071 -16.054 0.00 0.00 WAT1 ATOM 5385 H2 TIP3 1114 52.692 10.392 -17.524 0.00 0.00 WAT1 ATOM 5386 OH2 TIP3 1115 43.219 10.755 -5.024 0.00 0.00 WAT1 ATOM 5387 H1 TIP3 1115 43.289 11.406 -4.326 0.00 0.00 WAT1 ATOM 5388 H2 TIP3 1115 42.328 10.858 -5.359 0.00 0.00 WAT1 ATOM 5389 OH2 TIP3 1116 40.135 12.822 -6.199 0.00 0.00 WAT1 ATOM 5390 H1 TIP3 1116 39.634 12.794 -7.014 0.00 0.00 WAT1 ATOM 5391 H2 TIP3 1116 40.141 11.916 -5.889 0.00 0.00 WAT1 ATOM 5392 OH2 TIP3 1117 39.886 15.602 -9.315 0.00 0.00 WAT1 ATOM 5393 H1 TIP3 1117 40.832 15.458 -9.334 0.00 0.00 WAT1 ATOM 5394 H2 TIP3 1117 39.773 16.386 -8.778 0.00 0.00 WAT1 ATOM 5395 OH2 TIP3 1118 43.130 18.403 -13.170 0.00 0.00 WAT1 ATOM 5396 H1 TIP3 1118 43.282 18.055 -12.291 0.00 0.00 WAT1 ATOM 5397 H2 TIP3 1118 42.279 18.047 -13.425 0.00 0.00 WAT1 ATOM 5398 OH2 TIP3 1119 55.235 7.761 -3.153 0.00 0.00 WAT1 ATOM 5399 H1 TIP3 1119 54.828 8.242 -3.873 0.00 0.00 WAT1 ATOM 5400 H2 TIP3 1119 55.276 6.856 -3.460 0.00 0.00 WAT1 ATOM 5401 OH2 TIP3 1120 42.384 14.145 -5.156 0.00 0.00 WAT1 ATOM 5402 H1 TIP3 1120 42.601 13.784 -4.296 0.00 0.00 WAT1 ATOM 5403 H2 TIP3 1120 41.529 13.771 -5.366 0.00 0.00 WAT1 ATOM 5404 OH2 TIP3 1121 52.992 6.093 -4.932 0.00 0.00 WAT1 ATOM 5405 H1 TIP3 1121 52.478 5.967 -4.135 0.00 0.00 WAT1 ATOM 5406 H2 TIP3 1121 52.837 7.005 -5.177 0.00 0.00 WAT1 ATOM 5407 OH2 TIP3 1122 53.755 10.954 -19.171 0.00 0.00 WAT1 ATOM 5408 H1 TIP3 1122 53.797 10.731 -20.101 0.00 0.00 WAT1 ATOM 5409 H2 TIP3 1122 54.604 11.352 -18.981 0.00 0.00 WAT1 ATOM 5410 OH2 TIP3 1123 49.729 8.393 -2.848 0.00 0.00 WAT1 ATOM 5411 H1 TIP3 1123 49.166 7.689 -2.528 0.00 0.00 WAT1 ATOM 5412 H2 TIP3 1123 50.555 8.273 -2.381 0.00 0.00 WAT1 ATOM 5413 OH2 TIP3 1124 51.631 7.664 -11.522 0.00 0.00 WAT1 ATOM 5414 H1 TIP3 1124 51.436 8.269 -12.237 0.00 0.00 WAT1 ATOM 5415 H2 TIP3 1124 51.813 6.830 -11.957 0.00 0.00 WAT1 ATOM 5416 OH2 TIP3 1125 42.844 7.901 -6.198 0.00 0.00 WAT1 ATOM 5417 H1 TIP3 1125 42.806 8.301 -5.330 0.00 0.00 WAT1 ATOM 5418 H2 TIP3 1125 42.353 7.084 -6.108 0.00 0.00 WAT1 ATOM 5419 OH2 TIP3 1126 50.895 9.302 -6.851 0.00 0.00 WAT1 ATOM 5420 H1 TIP3 1126 51.219 8.671 -7.494 0.00 0.00 WAT1 ATOM 5421 H2 TIP3 1126 50.455 8.767 -6.190 0.00 0.00 WAT1 ATOM 5422 OH2 TIP3 1127 42.963 12.610 -2.918 0.00 0.00 WAT1 ATOM 5423 H1 TIP3 1127 43.696 12.864 -2.357 0.00 0.00 WAT1 ATOM 5424 H2 TIP3 1127 42.183 12.814 -2.403 0.00 0.00 WAT1 ATOM 5425 OH2 TIP3 1128 48.163 12.618 -16.081 0.00 0.00 WAT1 ATOM 5426 H1 TIP3 1128 47.419 12.111 -16.404 0.00 0.00 WAT1 ATOM 5427 H2 TIP3 1128 48.029 12.667 -15.135 0.00 0.00 WAT1 ATOM 5428 OH2 TIP3 1129 50.289 14.077 -17.056 0.00 0.00 WAT1 ATOM 5429 H1 TIP3 1129 49.994 14.903 -16.674 0.00 0.00 WAT1 ATOM 5430 H2 TIP3 1129 49.586 13.457 -16.860 0.00 0.00 WAT1 ATOM 5431 OH2 TIP3 1130 40.296 10.374 -4.997 0.00 0.00 WAT1 ATOM 5432 H1 TIP3 1130 40.519 9.956 -4.165 0.00 0.00 WAT1 ATOM 5433 H2 TIP3 1130 39.694 9.761 -5.419 0.00 0.00 WAT1 ATOM 5434 OH2 TIP3 1131 47.313 9.891 -2.784 0.00 0.00 WAT1 ATOM 5435 H1 TIP3 1131 47.017 9.725 -3.679 0.00 0.00 WAT1 ATOM 5436 H2 TIP3 1131 48.244 9.671 -2.794 0.00 0.00 WAT1 ATOM 5437 OH2 TIP3 1132 57.664 7.509 -16.527 0.00 0.00 WAT1 ATOM 5438 H1 TIP3 1132 57.110 7.113 -17.199 0.00 0.00 WAT1 ATOM 5439 H2 TIP3 1132 57.765 8.419 -16.804 0.00 0.00 WAT1 ATOM 5440 OH2 TIP3 1133 53.120 11.103 -9.040 0.00 0.00 WAT1 ATOM 5441 H1 TIP3 1133 52.192 10.871 -9.067 0.00 0.00 WAT1 ATOM 5442 H2 TIP3 1133 53.571 10.326 -9.370 0.00 0.00 WAT1 ATOM 5443 OH2 TIP3 1134 45.663 15.431 -12.907 0.00 0.00 WAT1 ATOM 5444 H1 TIP3 1134 46.190 16.204 -13.108 0.00 0.00 WAT1 ATOM 5445 H2 TIP3 1134 44.783 15.656 -13.209 0.00 0.00 WAT1 ATOM 5446 OH2 TIP3 1135 47.605 17.243 -7.016 0.00 0.00 WAT1 ATOM 5447 H1 TIP3 1135 47.968 18.098 -7.249 0.00 0.00 WAT1 ATOM 5448 H2 TIP3 1135 48.137 16.951 -6.275 0.00 0.00 WAT1 ATOM 5449 OH2 TIP3 1136 45.774 18.116 -13.786 0.00 0.00 WAT1 ATOM 5450 H1 TIP3 1136 44.824 18.221 -13.734 0.00 0.00 WAT1 ATOM 5451 H2 TIP3 1136 46.125 18.936 -13.441 0.00 0.00 WAT1 ATOM 5452 OH2 TIP3 1137 41.581 16.932 -7.004 0.00 0.00 WAT1 ATOM 5453 H1 TIP3 1137 41.798 16.000 -7.035 0.00 0.00 WAT1 ATOM 5454 H2 TIP3 1137 41.828 17.206 -6.120 0.00 0.00 WAT1 ATOM 5455 OH2 TIP3 1138 46.380 14.953 -17.338 0.00 0.00 WAT1 ATOM 5456 H1 TIP3 1138 46.527 14.433 -16.548 0.00 0.00 WAT1 ATOM 5457 H2 TIP3 1138 46.377 15.860 -17.032 0.00 0.00 WAT1 ATOM 5458 OH2 TIP3 1139 42.833 12.206 -16.828 0.00 0.00 WAT1 ATOM 5459 H1 TIP3 1139 42.147 12.558 -16.261 0.00 0.00 WAT1 ATOM 5460 H2 TIP3 1139 43.356 12.969 -17.074 0.00 0.00 WAT1 ATOM 5461 OH2 TIP3 1140 55.389 5.141 -4.597 0.00 0.00 WAT1 ATOM 5462 H1 TIP3 1140 54.473 5.404 -4.685 0.00 0.00 WAT1 ATOM 5463 H2 TIP3 1140 55.725 5.138 -5.494 0.00 0.00 WAT1 ATOM 5464 OH2 TIP3 1141 53.991 8.892 -10.501 0.00 0.00 WAT1 ATOM 5465 H1 TIP3 1141 53.194 8.477 -10.830 0.00 0.00 WAT1 ATOM 5466 H2 TIP3 1141 54.436 8.201 -10.010 0.00 0.00 WAT1 ATOM 5467 OH2 TIP3 1142 43.449 14.820 -17.931 0.00 0.00 WAT1 ATOM 5468 H1 TIP3 1142 44.041 15.519 -17.655 0.00 0.00 WAT1 ATOM 5469 H2 TIP3 1142 43.908 14.387 -18.650 0.00 0.00 WAT1 ATOM 5470 OH2 TIP3 1143 41.503 16.206 -13.981 0.00 0.00 WAT1 ATOM 5471 H1 TIP3 1143 40.671 16.679 -13.954 0.00 0.00 WAT1 ATOM 5472 H2 TIP3 1143 42.049 16.716 -14.580 0.00 0.00 WAT1 ATOM 5473 OH2 TIP3 1144 45.040 12.973 -19.565 0.00 0.00 WAT1 ATOM 5474 H1 TIP3 1144 45.104 12.179 -19.034 0.00 0.00 WAT1 ATOM 5475 H2 TIP3 1144 45.693 12.854 -20.254 0.00 0.00 WAT1 ATOM 5476 OH2 TIP3 1145 50.392 14.020 -19.829 0.00 0.00 WAT1 ATOM 5477 H1 TIP3 1145 50.124 14.200 -18.928 0.00 0.00 WAT1 ATOM 5478 H2 TIP3 1145 50.186 13.094 -19.960 0.00 0.00 WAT1 ATOM 5479 OH2 TIP3 1146 41.531 9.829 -2.277 0.00 0.00 WAT1 ATOM 5480 H1 TIP3 1146 41.939 8.972 -2.398 0.00 0.00 WAT1 ATOM 5481 H2 TIP3 1146 41.271 9.844 -1.356 0.00 0.00 WAT1 ATOM 5482 OH2 TIP3 1147 46.189 10.945 -17.259 0.00 0.00 WAT1 ATOM 5483 H1 TIP3 1147 45.730 10.461 -16.573 0.00 0.00 WAT1 ATOM 5484 H2 TIP3 1147 46.444 10.277 -17.895 0.00 0.00 WAT1 ATOM 5485 OH2 TIP3 1148 45.478 8.838 -4.903 0.00 0.00 WAT1 ATOM 5486 H1 TIP3 1148 44.860 9.513 -4.622 0.00 0.00 WAT1 ATOM 5487 H2 TIP3 1148 45.822 9.159 -5.736 0.00 0.00 WAT1 ATOM 5488 OH2 TIP3 1149 56.650 11.543 -19.551 0.00 0.00 WAT1 ATOM 5489 H1 TIP3 1149 56.377 11.118 -20.364 0.00 0.00 WAT1 ATOM 5490 H2 TIP3 1149 56.690 12.474 -19.768 0.00 0.00 WAT1 ATOM 5491 OH2 TIP3 1150 47.812 10.002 -6.088 0.00 0.00 WAT1 ATOM 5492 H1 TIP3 1150 48.563 9.846 -6.661 0.00 0.00 WAT1 ATOM 5493 H2 TIP3 1150 47.473 10.854 -6.364 0.00 0.00 WAT1 ATOM 5494 OH2 TIP3 1151 52.228 7.817 -1.060 0.00 0.00 WAT1 ATOM 5495 H1 TIP3 1151 52.420 6.886 -1.171 0.00 0.00 WAT1 ATOM 5496 H2 TIP3 1151 53.085 8.242 -1.070 0.00 0.00 WAT1 ATOM 5497 OH2 TIP3 1152 44.296 7.391 -1.909 0.00 0.00 WAT1 ATOM 5498 H1 TIP3 1152 43.529 6.859 -2.119 0.00 0.00 WAT1 ATOM 5499 H2 TIP3 1152 44.975 7.081 -2.508 0.00 0.00 WAT1 ATOM 5500 OH2 TIP3 1153 48.300 6.341 -2.333 0.00 0.00 WAT1 ATOM 5501 H1 TIP3 1153 48.064 6.121 -1.431 0.00 0.00 WAT1 ATOM 5502 H2 TIP3 1153 47.517 6.134 -2.842 0.00 0.00 WAT1 ATOM 5503 OH2 TIP3 1154 51.016 5.468 -3.257 0.00 0.00 WAT1 ATOM 5504 H1 TIP3 1154 50.068 5.500 -3.125 0.00 0.00 WAT1 ATOM 5505 H2 TIP3 1154 51.328 4.843 -2.603 0.00 0.00 WAT1 ATOM 5506 OH2 TIP3 1155 52.650 4.102 -1.252 0.00 0.00 WAT1 ATOM 5507 H1 TIP3 1155 52.553 3.150 -1.258 0.00 0.00 WAT1 ATOM 5508 H2 TIP3 1155 52.328 4.371 -0.391 0.00 0.00 WAT1 ATOM 5509 OH2 TIP3 1156 42.477 5.312 -2.204 0.00 0.00 WAT1 ATOM 5510 H1 TIP3 1156 42.688 4.605 -2.815 0.00 0.00 WAT1 ATOM 5511 H2 TIP3 1156 42.365 4.874 -1.360 0.00 0.00 WAT1 ATOM 5512 OH2 TIP3 1157 47.611 2.996 -1.171 0.00 0.00 WAT1 ATOM 5513 H1 TIP3 1157 47.480 2.520 -1.992 0.00 0.00 WAT1 ATOM 5514 H2 TIP3 1157 47.012 3.740 -1.227 0.00 0.00 WAT1 ATOM 5515 OH2 TIP3 1158 40.726 14.515 -18.512 0.00 0.00 WAT1 ATOM 5516 H1 TIP3 1158 41.640 14.594 -18.239 0.00 0.00 WAT1 ATOM 5517 H2 TIP3 1158 40.733 13.828 -19.179 0.00 0.00 WAT1 ATOM 5518 OH2 TIP3 1159 40.245 17.989 -11.630 0.00 0.00 WAT1 ATOM 5519 H1 TIP3 1159 39.911 17.108 -11.458 0.00 0.00 WAT1 ATOM 5520 H2 TIP3 1159 40.467 18.334 -10.766 0.00 0.00 WAT1 ATOM 5521 OH2 TIP3 1160 57.503 10.465 -13.752 0.00 0.00 WAT1 ATOM 5522 H1 TIP3 1160 56.777 9.986 -13.354 0.00 0.00 WAT1 ATOM 5523 H2 TIP3 1160 58.084 10.671 -13.020 0.00 0.00 WAT1 ATOM 5524 OH2 TIP3 1161 57.771 10.366 -17.361 0.00 0.00 WAT1 ATOM 5525 H1 TIP3 1161 57.250 10.723 -18.080 0.00 0.00 WAT1 ATOM 5526 H2 TIP3 1161 57.738 11.041 -16.683 0.00 0.00 WAT1 ATOM 5527 OH2 TIP3 1162 56.120 7.606 -18.810 0.00 0.00 WAT1 ATOM 5528 H1 TIP3 1162 56.217 8.273 -19.490 0.00 0.00 WAT1 ATOM 5529 H2 TIP3 1162 55.980 6.790 -19.292 0.00 0.00 WAT1 ATOM 5530 OH2 TIP3 1163 55.290 8.986 -13.189 0.00 0.00 WAT1 ATOM 5531 H1 TIP3 1163 55.140 8.041 -13.209 0.00 0.00 WAT1 ATOM 5532 H2 TIP3 1163 54.936 9.267 -12.345 0.00 0.00 WAT1 ATOM 5533 OH2 TIP3 1164 55.612 7.150 -9.291 0.00 0.00 WAT1 ATOM 5534 H1 TIP3 1164 56.545 7.362 -9.325 0.00 0.00 WAT1 ATOM 5535 H2 TIP3 1164 55.377 7.252 -8.368 0.00 0.00 WAT1 ATOM 5536 OH2 TIP3 1165 55.641 7.887 -6.515 0.00 0.00 WAT1 ATOM 5537 H1 TIP3 1165 54.798 8.155 -6.149 0.00 0.00 WAT1 ATOM 5538 H2 TIP3 1165 56.084 8.709 -6.726 0.00 0.00 WAT1 ATOM 5539 OH2 TIP3 1166 39.923 6.335 -3.038 0.00 0.00 WAT1 ATOM 5540 H1 TIP3 1166 40.842 6.213 -2.802 0.00 0.00 WAT1 ATOM 5541 H2 TIP3 1166 39.473 5.585 -2.649 0.00 0.00 WAT1 ATOM 5542 OH2 TIP3 1167 44.871 16.792 -6.276 0.00 0.00 WAT1 ATOM 5543 H1 TIP3 1167 44.446 17.601 -6.559 0.00 0.00 WAT1 ATOM 5544 H2 TIP3 1167 45.776 16.877 -6.578 0.00 0.00 WAT1 ATOM 5545 OH2 TIP3 1168 56.445 2.066 -4.993 0.00 0.00 WAT1 ATOM 5546 H1 TIP3 1168 55.632 2.391 -5.381 0.00 0.00 WAT1 ATOM 5547 H2 TIP3 1168 56.678 1.306 -5.526 0.00 0.00 WAT1 ATOM 5548 OH2 TIP3 1169 44.740 19.648 -7.199 0.00 0.00 WAT1 ATOM 5549 H1 TIP3 1169 43.875 19.720 -6.795 0.00 0.00 WAT1 ATOM 5550 H2 TIP3 1169 44.685 20.195 -7.983 0.00 0.00 WAT1 ATOM 5551 OH2 TIP3 1170 41.688 18.671 -9.318 0.00 0.00 WAT1 ATOM 5552 H1 TIP3 1170 41.669 18.246 -8.461 0.00 0.00 WAT1 ATOM 5553 H2 TIP3 1170 42.493 18.353 -9.727 0.00 0.00 WAT1 ATOM 5554 OH2 TIP3 1171 43.829 17.381 -10.663 0.00 0.00 WAT1 ATOM 5555 H1 TIP3 1171 43.610 16.465 -10.494 0.00 0.00 WAT1 ATOM 5556 H2 TIP3 1171 44.653 17.521 -10.197 0.00 0.00 WAT1 ATOM 5557 OH2 TIP3 1172 46.366 17.851 -9.815 0.00 0.00 WAT1 ATOM 5558 H1 TIP3 1172 46.579 16.963 -10.102 0.00 0.00 WAT1 ATOM 5559 H2 TIP3 1172 46.431 17.817 -8.860 0.00 0.00 WAT1 ATOM 5560 OH2 TIP3 1173 40.939 17.895 -16.147 0.00 0.00 WAT1 ATOM 5561 H1 TIP3 1173 40.254 17.857 -16.815 0.00 0.00 WAT1 ATOM 5562 H2 TIP3 1173 40.942 18.808 -15.859 0.00 0.00 WAT1 ATOM 5563 OH2 TIP3 1174 44.132 2.014 -1.795 0.00 0.00 WAT1 ATOM 5564 H1 TIP3 1174 45.031 1.740 -1.980 0.00 0.00 WAT1 ATOM 5565 H2 TIP3 1174 43.746 1.271 -1.331 0.00 0.00 WAT1 ATOM 5566 OH2 TIP3 1175 52.554 1.346 -1.613 0.00 0.00 WAT1 ATOM 5567 H1 TIP3 1175 52.630 0.920 -0.759 0.00 0.00 WAT1 ATOM 5568 H2 TIP3 1175 53.447 1.360 -1.955 0.00 0.00 WAT1 ATOM 5569 OH2 TIP3 1176 49.328 4.830 0.355 0.00 0.00 WAT1 ATOM 5570 H1 TIP3 1176 49.074 4.849 1.278 0.00 0.00 WAT1 ATOM 5571 H2 TIP3 1176 49.071 3.958 0.054 0.00 0.00 WAT1 ATOM 5572 OH2 TIP3 1177 46.210 5.275 -0.544 0.00 0.00 WAT1 ATOM 5573 H1 TIP3 1177 45.779 4.830 0.186 0.00 0.00 WAT1 ATOM 5574 H2 TIP3 1177 45.492 5.647 -1.056 0.00 0.00 WAT1 ATOM 5575 OH2 TIP3 1178 41.038 1.947 1.811 0.00 0.00 WAT1 ATOM 5576 H1 TIP3 1178 41.477 2.558 1.220 0.00 0.00 WAT1 ATOM 5577 H2 TIP3 1178 40.404 2.485 2.285 0.00 0.00 WAT1 ATOM 5578 OH2 TIP3 1179 42.899 3.863 0.254 0.00 0.00 WAT1 ATOM 5579 H1 TIP3 1179 43.390 3.233 -0.274 0.00 0.00 WAT1 ATOM 5580 H2 TIP3 1179 43.522 4.159 0.917 0.00 0.00 WAT1 ATOM 5581 OH2 TIP3 1180 59.648 -18.893 -21.507 0.00 0.00 WAT1 ATOM 5582 H1 TIP3 1180 60.188 -19.110 -20.748 0.00 0.00 WAT1 ATOM 5583 H2 TIP3 1180 59.167 -19.699 -21.697 0.00 0.00 WAT1 ATOM 5584 OH2 TIP3 1181 58.231 -17.804 -32.291 0.00 0.00 WAT1 ATOM 5585 H1 TIP3 1181 57.584 -18.266 -32.824 0.00 0.00 WAT1 ATOM 5586 H2 TIP3 1181 58.586 -18.476 -31.708 0.00 0.00 WAT1 ATOM 5587 OH2 TIP3 1182 59.101 -19.723 -30.486 0.00 0.00 WAT1 ATOM 5588 H1 TIP3 1182 58.767 -20.604 -30.314 0.00 0.00 WAT1 ATOM 5589 H2 TIP3 1182 59.323 -19.378 -29.622 0.00 0.00 WAT1 ATOM 5590 OH2 TIP3 1183 61.129 -17.664 -25.085 0.00 0.00 WAT1 ATOM 5591 H1 TIP3 1183 60.409 -17.224 -25.536 0.00 0.00 WAT1 ATOM 5592 H2 TIP3 1183 60.763 -17.915 -24.236 0.00 0.00 WAT1 ATOM 5593 OH2 TIP3 1184 60.544 -19.041 -28.174 0.00 0.00 WAT1 ATOM 5594 H1 TIP3 1184 60.525 -19.466 -27.317 0.00 0.00 WAT1 ATOM 5595 H2 TIP3 1184 61.349 -19.359 -28.583 0.00 0.00 WAT1 ATOM 5596 OH2 TIP3 1185 59.795 -19.817 -35.003 0.00 0.00 WAT1 ATOM 5597 H1 TIP3 1185 59.110 -19.855 -35.671 0.00 0.00 WAT1 ATOM 5598 H2 TIP3 1185 59.798 -18.904 -34.715 0.00 0.00 WAT1 ATOM 5599 OH2 TIP3 1186 61.613 -18.897 -37.978 0.00 0.00 WAT1 ATOM 5600 H1 TIP3 1186 61.345 -18.610 -37.105 0.00 0.00 WAT1 ATOM 5601 H2 TIP3 1186 62.384 -19.443 -37.826 0.00 0.00 WAT1 ATOM 5602 OH2 TIP3 1187 61.986 -19.309 -13.170 0.00 0.00 WAT1 ATOM 5603 H1 TIP3 1187 62.138 -19.657 -12.291 0.00 0.00 WAT1 ATOM 5604 H2 TIP3 1187 61.135 -19.665 -13.425 0.00 0.00 WAT1 ATOM 5605 OH2 TIP3 1188 60.359 -21.506 -13.981 0.00 0.00 WAT1 ATOM 5606 H1 TIP3 1188 59.527 -21.033 -13.954 0.00 0.00 WAT1 ATOM 5607 H2 TIP3 1188 60.905 -20.996 -14.580 0.00 0.00 WAT1 ATOM 5608 OH2 TIP3 1189 59.101 -19.723 -11.630 0.00 0.00 WAT1 ATOM 5609 H1 TIP3 1189 58.767 -20.604 -11.458 0.00 0.00 WAT1 ATOM 5610 H2 TIP3 1189 59.323 -19.378 -10.766 0.00 0.00 WAT1 ATOM 5611 OH2 TIP3 1190 60.544 -19.041 -9.318 0.00 0.00 WAT1 ATOM 5612 H1 TIP3 1190 60.525 -19.466 -8.461 0.00 0.00 WAT1 ATOM 5613 H2 TIP3 1190 61.349 -19.359 -9.727 0.00 0.00 WAT1 ATOM 5614 OH2 TIP3 1191 59.795 -19.817 -16.147 0.00 0.00 WAT1 ATOM 5615 H1 TIP3 1191 59.110 -19.855 -16.815 0.00 0.00 WAT1 ATOM 5616 H2 TIP3 1191 59.798 -18.904 -15.859 0.00 0.00 WAT1 ATOM 5617 OH2 TIP3 1192 61.613 -18.897 -19.122 0.00 0.00 WAT1 ATOM 5618 H1 TIP3 1192 61.345 -18.610 -18.249 0.00 0.00 WAT1 ATOM 5619 H2 TIP3 1192 62.384 -19.443 -18.970 0.00 0.00 WAT1 ATOM 5620 OH2 TIP3 1193 61.437 -8.681 -45.590 0.00 0.00 WAT1 ATOM 5621 H1 TIP3 1193 61.479 -9.307 -44.866 0.00 0.00 WAT1 ATOM 5622 H2 TIP3 1193 62.140 -8.058 -45.408 0.00 0.00 WAT1 ATOM 5623 OH2 TIP3 1194 60.374 -10.971 -48.415 0.00 0.00 WAT1 ATOM 5624 H1 TIP3 1194 61.028 -11.521 -47.983 0.00 0.00 WAT1 ATOM 5625 H2 TIP3 1194 60.398 -11.245 -49.331 0.00 0.00 WAT1 ATOM 5626 OH2 TIP3 1195 62.075 -8.101 -42.736 0.00 0.00 WAT1 ATOM 5627 H1 TIP3 1195 62.145 -7.450 -42.038 0.00 0.00 WAT1 ATOM 5628 H2 TIP3 1195 61.184 -7.998 -43.071 0.00 0.00 WAT1 ATOM 5629 OH2 TIP3 1196 63.394 -2.227 -41.201 0.00 0.00 WAT1 ATOM 5630 H1 TIP3 1196 63.402 -2.363 -42.149 0.00 0.00 WAT1 ATOM 5631 H2 TIP3 1196 62.478 -2.345 -40.949 0.00 0.00 WAT1 ATOM 5632 OH2 TIP3 1197 58.991 -6.034 -43.911 0.00 0.00 WAT1 ATOM 5633 H1 TIP3 1197 58.490 -6.062 -44.726 0.00 0.00 WAT1 ATOM 5634 H2 TIP3 1197 58.997 -6.940 -43.601 0.00 0.00 WAT1 ATOM 5635 OH2 TIP3 1198 58.742 -3.254 -47.027 0.00 0.00 WAT1 ATOM 5636 H1 TIP3 1198 59.688 -3.398 -47.046 0.00 0.00 WAT1 ATOM 5637 H2 TIP3 1198 58.629 -2.470 -46.490 0.00 0.00 WAT1 ATOM 5638 OH2 TIP3 1199 61.240 -4.711 -42.868 0.00 0.00 WAT1 ATOM 5639 H1 TIP3 1199 61.457 -5.072 -42.008 0.00 0.00 WAT1 ATOM 5640 H2 TIP3 1199 60.385 -5.085 -43.078 0.00 0.00 WAT1 ATOM 5641 OH2 TIP3 1200 61.700 -10.955 -43.910 0.00 0.00 WAT1 ATOM 5642 H1 TIP3 1200 61.662 -10.555 -43.042 0.00 0.00 WAT1 ATOM 5643 H2 TIP3 1200 61.209 -11.772 -43.820 0.00 0.00 WAT1 ATOM 5644 OH2 TIP3 1201 61.819 -6.246 -40.630 0.00 0.00 WAT1 ATOM 5645 H1 TIP3 1201 62.552 -5.992 -40.069 0.00 0.00 WAT1 ATOM 5646 H2 TIP3 1201 61.039 -6.042 -40.115 0.00 0.00 WAT1 ATOM 5647 OH2 TIP3 1202 60.786 -13.729 -43.151 0.00 0.00 WAT1 ATOM 5648 H1 TIP3 1202 59.893 -13.390 -43.218 0.00 0.00 WAT1 ATOM 5649 H2 TIP3 1202 60.687 -14.584 -42.733 0.00 0.00 WAT1 ATOM 5650 OH2 TIP3 1203 59.648 -0.037 -40.363 0.00 0.00 WAT1 ATOM 5651 H1 TIP3 1203 60.188 -0.254 -39.604 0.00 0.00 WAT1 ATOM 5652 H2 TIP3 1203 59.167 -0.843 -40.553 0.00 0.00 WAT1 ATOM 5653 OH2 TIP3 1204 64.334 -10.018 -42.615 0.00 0.00 WAT1 ATOM 5654 H1 TIP3 1204 63.716 -9.343 -42.334 0.00 0.00 WAT1 ATOM 5655 H2 TIP3 1204 64.678 -9.697 -43.448 0.00 0.00 WAT1 ATOM 5656 OH2 TIP3 1205 63.152 -11.465 -39.621 0.00 0.00 WAT1 ATOM 5657 H1 TIP3 1205 62.385 -11.997 -39.831 0.00 0.00 WAT1 ATOM 5658 H2 TIP3 1205 63.831 -11.775 -40.220 0.00 0.00 WAT1 ATOM 5659 OH2 TIP3 1206 61.333 -13.544 -39.916 0.00 0.00 WAT1 ATOM 5660 H1 TIP3 1206 61.544 -14.251 -40.527 0.00 0.00 WAT1 ATOM 5661 H2 TIP3 1206 61.221 -13.982 -39.072 0.00 0.00 WAT1 ATOM 5662 OH2 TIP3 1207 59.181 -7.792 -46.891 0.00 0.00 WAT1 ATOM 5663 H1 TIP3 1207 59.365 -7.874 -47.826 0.00 0.00 WAT1 ATOM 5664 H2 TIP3 1207 60.030 -7.916 -46.467 0.00 0.00 WAT1 ATOM 5665 OH2 TIP3 1208 58.304 -11.210 -46.790 0.00 0.00 WAT1 ATOM 5666 H1 TIP3 1208 58.796 -11.431 -47.580 0.00 0.00 WAT1 ATOM 5667 H2 TIP3 1208 58.666 -10.369 -46.509 0.00 0.00 WAT1 ATOM 5668 OH2 TIP3 1209 58.581 -16.214 -44.391 0.00 0.00 WAT1 ATOM 5669 H1 TIP3 1209 57.916 -16.460 -43.748 0.00 0.00 WAT1 ATOM 5670 H2 TIP3 1209 58.138 -15.592 -44.968 0.00 0.00 WAT1 ATOM 5671 OH2 TIP3 1210 60.773 -3.039 -40.247 0.00 0.00 WAT1 ATOM 5672 H1 TIP3 1210 59.952 -2.864 -40.707 0.00 0.00 WAT1 ATOM 5673 H2 TIP3 1210 60.521 -3.112 -39.326 0.00 0.00 WAT1 ATOM 5674 OH2 TIP3 1211 61.015 -16.193 -41.043 0.00 0.00 WAT1 ATOM 5675 H1 TIP3 1211 60.649 -16.958 -40.600 0.00 0.00 WAT1 ATOM 5676 H2 TIP3 1211 61.928 -16.164 -40.756 0.00 0.00 WAT1 ATOM 5677 OH2 TIP3 1212 62.361 -4.231 -28.199 0.00 0.00 WAT1 ATOM 5678 H1 TIP3 1212 61.991 -5.033 -28.568 0.00 0.00 WAT1 ATOM 5679 H2 TIP3 1212 63.302 -4.400 -28.152 0.00 0.00 WAT1 ATOM 5680 OH2 TIP3 1213 63.754 -13.368 -30.321 0.00 0.00 WAT1 ATOM 5681 H1 TIP3 1213 63.797 -12.508 -30.739 0.00 0.00 WAT1 ATOM 5682 H2 TIP3 1213 63.296 -13.920 -30.954 0.00 0.00 WAT1 ATOM 5683 OH2 TIP3 1214 65.530 -9.421 -30.343 0.00 0.00 WAT1 ATOM 5684 H1 TIP3 1214 66.146 -9.947 -29.834 0.00 0.00 WAT1 ATOM 5685 H2 TIP3 1214 64.944 -10.061 -30.747 0.00 0.00 WAT1 ATOM 5686 OH2 TIP3 1215 62.564 -14.450 -26.247 0.00 0.00 WAT1 ATOM 5687 H1 TIP3 1215 62.345 -13.920 -27.013 0.00 0.00 WAT1 ATOM 5688 H2 TIP3 1215 61.896 -14.223 -25.599 0.00 0.00 WAT1 ATOM 5689 OH2 TIP3 1216 65.133 -6.774 -25.959 0.00 0.00 WAT1 ATOM 5690 H1 TIP3 1216 64.393 -6.176 -25.856 0.00 0.00 WAT1 ATOM 5691 H2 TIP3 1216 65.847 -6.220 -26.275 0.00 0.00 WAT1 ATOM 5692 OH2 TIP3 1217 62.158 -12.558 -28.294 0.00 0.00 WAT1 ATOM 5693 H1 TIP3 1217 62.771 -11.925 -27.921 0.00 0.00 WAT1 ATOM 5694 H2 TIP3 1217 62.670 -13.030 -28.951 0.00 0.00 WAT1 ATOM 5695 OH2 TIP3 1218 63.541 -4.810 -25.172 0.00 0.00 WAT1 ATOM 5696 H1 TIP3 1218 63.535 -3.931 -25.550 0.00 0.00 WAT1 ATOM 5697 H2 TIP3 1218 62.687 -4.893 -24.747 0.00 0.00 WAT1 ATOM 5698 OH2 TIP3 1219 63.908 -7.467 -31.459 0.00 0.00 WAT1 ATOM 5699 H1 TIP3 1219 63.578 -7.837 -32.278 0.00 0.00 WAT1 ATOM 5700 H2 TIP3 1219 64.496 -8.137 -31.113 0.00 0.00 WAT1 ATOM 5701 OH2 TIP3 1220 64.275 -8.698 -27.826 0.00 0.00 WAT1 ATOM 5702 H1 TIP3 1220 64.840 -8.577 -28.589 0.00 0.00 WAT1 ATOM 5703 H2 TIP3 1220 64.594 -8.061 -27.187 0.00 0.00 WAT1 ATOM 5704 OH2 TIP3 1221 65.155 -4.299 -23.109 0.00 0.00 WAT1 ATOM 5705 H1 TIP3 1221 64.843 -3.517 -22.653 0.00 0.00 WAT1 ATOM 5706 H2 TIP3 1221 64.505 -4.452 -23.795 0.00 0.00 WAT1 ATOM 5707 OH2 TIP3 1222 63.394 -2.227 -22.345 0.00 0.00 WAT1 ATOM 5708 H1 TIP3 1222 63.402 -2.363 -23.293 0.00 0.00 WAT1 ATOM 5709 H2 TIP3 1222 62.478 -2.345 -22.093 0.00 0.00 WAT1 ATOM 5710 OH2 TIP3 1223 62.898 -8.397 -33.870 0.00 0.00 WAT1 ATOM 5711 H1 TIP3 1223 62.606 -7.629 -34.361 0.00 0.00 WAT1 ATOM 5712 H2 TIP3 1223 62.224 -9.057 -34.033 0.00 0.00 WAT1 ATOM 5713 OH2 TIP3 1224 61.986 -0.453 -32.026 0.00 0.00 WAT1 ATOM 5714 H1 TIP3 1224 62.138 -0.801 -31.147 0.00 0.00 WAT1 ATOM 5715 H2 TIP3 1224 61.135 -0.809 -32.281 0.00 0.00 WAT1 ATOM 5716 OH2 TIP3 1225 61.240 -4.711 -24.012 0.00 0.00 WAT1 ATOM 5717 H1 TIP3 1225 61.457 -5.072 -23.152 0.00 0.00 WAT1 ATOM 5718 H2 TIP3 1225 60.385 -5.085 -24.222 0.00 0.00 WAT1 ATOM 5719 OH2 TIP3 1226 63.950 -11.275 -26.921 0.00 0.00 WAT1 ATOM 5720 H1 TIP3 1226 63.308 -11.316 -26.212 0.00 0.00 WAT1 ATOM 5721 H2 TIP3 1226 63.987 -10.349 -27.159 0.00 0.00 WAT1 ATOM 5722 OH2 TIP3 1227 63.947 -11.054 -32.009 0.00 0.00 WAT1 ATOM 5723 H1 TIP3 1227 63.054 -11.395 -32.068 0.00 0.00 WAT1 ATOM 5724 H2 TIP3 1227 64.398 -11.431 -32.765 0.00 0.00 WAT1 ATOM 5725 OH2 TIP3 1228 61.700 -10.955 -25.054 0.00 0.00 WAT1 ATOM 5726 H1 TIP3 1228 61.662 -10.555 -24.186 0.00 0.00 WAT1 ATOM 5727 H2 TIP3 1228 61.209 -11.772 -24.964 0.00 0.00 WAT1 ATOM 5728 OH2 TIP3 1229 65.066 -13.581 -38.256 0.00 0.00 WAT1 ATOM 5729 H1 TIP3 1229 64.635 -14.026 -37.526 0.00 0.00 WAT1 ATOM 5730 H2 TIP3 1229 64.348 -13.209 -38.768 0.00 0.00 WAT1 ATOM 5731 OH2 TIP3 1230 58.308 -13.839 -31.204 0.00 0.00 WAT1 ATOM 5732 H1 TIP3 1230 58.939 -13.868 -30.484 0.00 0.00 WAT1 ATOM 5733 H2 TIP3 1230 58.758 -14.264 -31.934 0.00 0.00 WAT1 ATOM 5734 OH2 TIP3 1231 65.010 -11.998 -34.440 0.00 0.00 WAT1 ATOM 5735 H1 TIP3 1231 65.942 -11.869 -34.262 0.00 0.00 WAT1 ATOM 5736 H2 TIP3 1231 64.795 -11.328 -35.089 0.00 0.00 WAT1 ATOM 5737 OH2 TIP3 1232 63.684 -10.803 -36.873 0.00 0.00 WAT1 ATOM 5738 H1 TIP3 1232 63.142 -11.183 -37.564 0.00 0.00 WAT1 ATOM 5739 H2 TIP3 1232 64.518 -10.609 -37.302 0.00 0.00 WAT1 ATOM 5740 OH2 TIP3 1233 61.819 -6.246 -21.774 0.00 0.00 WAT1 ATOM 5741 H1 TIP3 1233 62.552 -5.992 -21.213 0.00 0.00 WAT1 ATOM 5742 H2 TIP3 1233 61.039 -6.042 -21.259 0.00 0.00 WAT1 ATOM 5743 OH2 TIP3 1234 62.851 -14.703 -32.618 0.00 0.00 WAT1 ATOM 5744 H1 TIP3 1234 62.534 -15.605 -32.653 0.00 0.00 WAT1 ATOM 5745 H2 TIP3 1234 63.632 -14.701 -33.170 0.00 0.00 WAT1 ATOM 5746 OH2 TIP3 1235 64.519 -3.425 -31.763 0.00 0.00 WAT1 ATOM 5747 H1 TIP3 1235 65.046 -2.652 -31.964 0.00 0.00 WAT1 ATOM 5748 H2 TIP3 1235 63.639 -3.200 -32.065 0.00 0.00 WAT1 ATOM 5749 OH2 TIP3 1236 65.946 -5.762 -32.187 0.00 0.00 WAT1 ATOM 5750 H1 TIP3 1236 65.705 -4.837 -32.145 0.00 0.00 WAT1 ATOM 5751 H2 TIP3 1236 65.206 -6.221 -31.791 0.00 0.00 WAT1 ATOM 5752 OH2 TIP3 1237 64.630 -0.740 -32.642 0.00 0.00 WAT1 ATOM 5753 H1 TIP3 1237 63.680 -0.635 -32.590 0.00 0.00 WAT1 ATOM 5754 H2 TIP3 1237 64.981 0.080 -32.297 0.00 0.00 WAT1 ATOM 5755 OH2 TIP3 1238 60.786 -13.729 -24.295 0.00 0.00 WAT1 ATOM 5756 H1 TIP3 1238 59.893 -13.390 -24.362 0.00 0.00 WAT1 ATOM 5757 H2 TIP3 1238 60.687 -14.584 -23.877 0.00 0.00 WAT1 ATOM 5758 OH2 TIP3 1239 60.437 -1.924 -25.860 0.00 0.00 WAT1 ATOM 5759 H1 TIP3 1239 60.654 -2.856 -25.891 0.00 0.00 WAT1 ATOM 5760 H2 TIP3 1239 60.684 -1.650 -24.976 0.00 0.00 WAT1 ATOM 5761 OH2 TIP3 1240 65.236 -3.903 -36.194 0.00 0.00 WAT1 ATOM 5762 H1 TIP3 1240 65.383 -4.423 -35.404 0.00 0.00 WAT1 ATOM 5763 H2 TIP3 1240 65.233 -2.996 -35.888 0.00 0.00 WAT1 ATOM 5764 OH2 TIP3 1241 64.046 -14.464 -35.847 0.00 0.00 WAT1 ATOM 5765 H1 TIP3 1241 63.963 -13.575 -35.501 0.00 0.00 WAT1 ATOM 5766 H2 TIP3 1241 64.936 -14.729 -35.616 0.00 0.00 WAT1 ATOM 5767 OH2 TIP3 1242 62.305 -4.036 -36.787 0.00 0.00 WAT1 ATOM 5768 H1 TIP3 1242 62.897 -3.337 -36.511 0.00 0.00 WAT1 ATOM 5769 H2 TIP3 1242 62.764 -4.469 -37.506 0.00 0.00 WAT1 ATOM 5770 OH2 TIP3 1243 61.429 -16.590 -28.998 0.00 0.00 WAT1 ATOM 5771 H1 TIP3 1243 61.200 -16.531 -29.925 0.00 0.00 WAT1 ATOM 5772 H2 TIP3 1243 60.986 -17.382 -28.691 0.00 0.00 WAT1 ATOM 5773 OH2 TIP3 1244 64.245 -1.118 -19.887 0.00 0.00 WAT1 ATOM 5774 H1 TIP3 1244 65.013 -1.577 -19.546 0.00 0.00 WAT1 ATOM 5775 H2 TIP3 1244 64.224 -1.344 -20.817 0.00 0.00 WAT1 ATOM 5776 OH2 TIP3 1245 59.555 -6.227 -20.553 0.00 0.00 WAT1 ATOM 5777 H1 TIP3 1245 59.699 -7.129 -20.839 0.00 0.00 WAT1 ATOM 5778 H2 TIP3 1245 58.782 -5.941 -21.041 0.00 0.00 WAT1 ATOM 5779 OH2 TIP3 1246 63.896 -5.883 -38.421 0.00 0.00 WAT1 ATOM 5780 H1 TIP3 1246 63.960 -6.677 -37.890 0.00 0.00 WAT1 ATOM 5781 H2 TIP3 1246 64.549 -6.002 -39.110 0.00 0.00 WAT1 ATOM 5782 OH2 TIP3 1247 60.387 -9.027 -21.133 0.00 0.00 WAT1 ATOM 5783 H1 TIP3 1247 60.795 -9.884 -21.254 0.00 0.00 WAT1 ATOM 5784 H2 TIP3 1247 60.127 -9.012 -20.212 0.00 0.00 WAT1 ATOM 5785 OH2 TIP3 1248 65.045 -7.911 -36.115 0.00 0.00 WAT1 ATOM 5786 H1 TIP3 1248 64.586 -8.395 -35.429 0.00 0.00 WAT1 ATOM 5787 H2 TIP3 1248 65.300 -8.579 -36.751 0.00 0.00 WAT1 ATOM 5788 OH2 TIP3 1249 64.334 -10.018 -23.759 0.00 0.00 WAT1 ATOM 5789 H1 TIP3 1249 63.716 -9.343 -23.478 0.00 0.00 WAT1 ATOM 5790 H2 TIP3 1249 64.678 -9.697 -24.592 0.00 0.00 WAT1 ATOM 5791 OH2 TIP3 1250 66.116 -9.668 -37.852 0.00 0.00 WAT1 ATOM 5792 H1 TIP3 1250 65.936 -9.822 -38.780 0.00 0.00 WAT1 ATOM 5793 H2 TIP3 1250 67.067 -9.560 -37.808 0.00 0.00 WAT1 ATOM 5794 OH2 TIP3 1251 63.152 -11.465 -20.765 0.00 0.00 WAT1 ATOM 5795 H1 TIP3 1251 62.385 -11.997 -20.975 0.00 0.00 WAT1 ATOM 5796 H2 TIP3 1251 63.831 -11.775 -21.364 0.00 0.00 WAT1 ATOM 5797 OH2 TIP3 1252 61.333 -13.544 -21.060 0.00 0.00 WAT1 ATOM 5798 H1 TIP3 1252 61.544 -14.251 -21.671 0.00 0.00 WAT1 ATOM 5799 H2 TIP3 1252 61.221 -13.982 -20.216 0.00 0.00 WAT1 ATOM 5800 OH2 TIP3 1253 58.231 1.052 -32.291 0.00 0.00 WAT1 ATOM 5801 H1 TIP3 1253 57.584 0.590 -32.824 0.00 0.00 WAT1 ATOM 5802 H2 TIP3 1253 58.586 0.380 -31.708 0.00 0.00 WAT1 ATOM 5803 OH2 TIP3 1254 59.101 -0.867 -30.486 0.00 0.00 WAT1 ATOM 5804 H1 TIP3 1254 58.767 -1.748 -30.314 0.00 0.00 WAT1 ATOM 5805 H2 TIP3 1254 59.323 -0.522 -29.622 0.00 0.00 WAT1 ATOM 5806 OH2 TIP3 1255 60.000 -14.209 -29.003 0.00 0.00 WAT1 ATOM 5807 H1 TIP3 1255 60.445 -15.001 -28.701 0.00 0.00 WAT1 ATOM 5808 H2 TIP3 1255 60.466 -13.493 -28.572 0.00 0.00 WAT1 ATOM 5809 OH2 TIP3 1256 58.581 -16.214 -25.535 0.00 0.00 WAT1 ATOM 5810 H1 TIP3 1256 57.916 -16.460 -24.892 0.00 0.00 WAT1 ATOM 5811 H2 TIP3 1256 58.138 -15.592 -26.112 0.00 0.00 WAT1 ATOM 5812 OH2 TIP3 1257 60.773 -3.039 -21.391 0.00 0.00 WAT1 ATOM 5813 H1 TIP3 1257 59.952 -2.864 -21.851 0.00 0.00 WAT1 ATOM 5814 H2 TIP3 1257 60.521 -3.112 -20.470 0.00 0.00 WAT1 ATOM 5815 OH2 TIP3 1258 63.727 -2.064 -25.132 0.00 0.00 WAT1 ATOM 5816 H1 TIP3 1258 63.302 -1.255 -25.415 0.00 0.00 WAT1 ATOM 5817 H2 TIP3 1258 64.632 -1.979 -25.434 0.00 0.00 WAT1 ATOM 5818 OH2 TIP3 1259 61.129 1.192 -25.085 0.00 0.00 WAT1 ATOM 5819 H1 TIP3 1259 60.409 1.632 -25.536 0.00 0.00 WAT1 ATOM 5820 H2 TIP3 1259 60.763 0.941 -24.236 0.00 0.00 WAT1 ATOM 5821 OH2 TIP3 1260 60.544 -0.185 -28.174 0.00 0.00 WAT1 ATOM 5822 H1 TIP3 1260 60.525 -0.610 -27.317 0.00 0.00 WAT1 ATOM 5823 H2 TIP3 1260 61.349 -0.503 -28.583 0.00 0.00 WAT1 ATOM 5824 OH2 TIP3 1261 62.685 -1.475 -29.519 0.00 0.00 WAT1 ATOM 5825 H1 TIP3 1261 62.466 -2.391 -29.350 0.00 0.00 WAT1 ATOM 5826 H2 TIP3 1261 63.509 -1.335 -29.053 0.00 0.00 WAT1 ATOM 5827 OH2 TIP3 1262 61.057 -16.707 -31.704 0.00 0.00 WAT1 ATOM 5828 H1 TIP3 1262 60.280 -16.941 -32.212 0.00 0.00 WAT1 ATOM 5829 H2 TIP3 1262 61.588 -17.504 -31.696 0.00 0.00 WAT1 ATOM 5830 OH2 TIP3 1263 59.894 -16.909 -35.901 0.00 0.00 WAT1 ATOM 5831 H1 TIP3 1263 60.333 -16.298 -36.492 0.00 0.00 WAT1 ATOM 5832 H2 TIP3 1263 59.260 -16.371 -35.427 0.00 0.00 WAT1 ATOM 5833 OH2 TIP3 1264 59.795 -0.961 -35.003 0.00 0.00 WAT1 ATOM 5834 H1 TIP3 1264 59.110 -0.999 -35.671 0.00 0.00 WAT1 ATOM 5835 H2 TIP3 1264 59.798 -0.048 -34.715 0.00 0.00 WAT1 ATOM 5836 OH2 TIP3 1265 61.755 -14.993 -37.458 0.00 0.00 WAT1 ATOM 5837 H1 TIP3 1265 62.246 -15.623 -37.986 0.00 0.00 WAT1 ATOM 5838 H2 TIP3 1265 62.378 -14.697 -36.795 0.00 0.00 WAT1 ATOM 5839 OH2 TIP3 1266 61.015 -16.193 -22.187 0.00 0.00 WAT1 ATOM 5840 H1 TIP3 1266 60.649 -16.958 -21.744 0.00 0.00 WAT1 ATOM 5841 H2 TIP3 1266 61.928 -16.164 -21.900 0.00 0.00 WAT1 ATOM 5842 OH2 TIP3 1267 62.988 -16.842 -20.651 0.00 0.00 WAT1 ATOM 5843 H1 TIP3 1267 63.887 -17.116 -20.836 0.00 0.00 WAT1 ATOM 5844 H2 TIP3 1267 62.602 -17.585 -20.187 0.00 0.00 WAT1 ATOM 5845 OH2 TIP3 1268 61.613 -0.041 -37.978 0.00 0.00 WAT1 ATOM 5846 H1 TIP3 1268 61.345 0.246 -37.105 0.00 0.00 WAT1 ATOM 5847 H2 TIP3 1268 62.384 -0.587 -37.826 0.00 0.00 WAT1 ATOM 5848 OH2 TIP3 1269 61.437 -8.681 -7.878 0.00 0.00 WAT1 ATOM 5849 H1 TIP3 1269 61.479 -9.307 -7.154 0.00 0.00 WAT1 ATOM 5850 H2 TIP3 1269 62.140 -8.058 -7.696 0.00 0.00 WAT1 ATOM 5851 OH2 TIP3 1270 59.681 -8.409 -11.824 0.00 0.00 WAT1 ATOM 5852 H1 TIP3 1270 59.895 -9.179 -11.297 0.00 0.00 WAT1 ATOM 5853 H2 TIP3 1270 60.419 -8.320 -12.427 0.00 0.00 WAT1 ATOM 5854 OH2 TIP3 1271 63.754 -13.368 -11.465 0.00 0.00 WAT1 ATOM 5855 H1 TIP3 1271 63.797 -12.508 -11.883 0.00 0.00 WAT1 ATOM 5856 H2 TIP3 1271 63.296 -13.920 -12.098 0.00 0.00 WAT1 ATOM 5857 OH2 TIP3 1272 60.374 -10.971 -10.703 0.00 0.00 WAT1 ATOM 5858 H1 TIP3 1272 61.028 -11.521 -10.271 0.00 0.00 WAT1 ATOM 5859 H2 TIP3 1272 60.398 -11.245 -11.619 0.00 0.00 WAT1 ATOM 5860 OH2 TIP3 1273 62.564 -14.450 -7.391 0.00 0.00 WAT1 ATOM 5861 H1 TIP3 1273 62.345 -13.920 -8.157 0.00 0.00 WAT1 ATOM 5862 H2 TIP3 1273 61.896 -14.223 -6.743 0.00 0.00 WAT1 ATOM 5863 OH2 TIP3 1274 62.158 -12.558 -9.438 0.00 0.00 WAT1 ATOM 5864 H1 TIP3 1274 62.771 -11.925 -9.065 0.00 0.00 WAT1 ATOM 5865 H2 TIP3 1274 62.670 -13.030 -10.095 0.00 0.00 WAT1 ATOM 5866 OH2 TIP3 1275 59.662 -5.139 -15.534 0.00 0.00 WAT1 ATOM 5867 H1 TIP3 1275 59.390 -4.910 -16.423 0.00 0.00 WAT1 ATOM 5868 H2 TIP3 1275 59.707 -4.301 -15.074 0.00 0.00 WAT1 ATOM 5869 OH2 TIP3 1276 62.898 -8.397 -15.014 0.00 0.00 WAT1 ATOM 5870 H1 TIP3 1276 62.606 -7.629 -15.505 0.00 0.00 WAT1 ATOM 5871 H2 TIP3 1276 62.224 -9.057 -15.177 0.00 0.00 WAT1 ATOM 5872 OH2 TIP3 1277 58.991 -6.034 -6.199 0.00 0.00 WAT1 ATOM 5873 H1 TIP3 1277 58.490 -6.062 -7.014 0.00 0.00 WAT1 ATOM 5874 H2 TIP3 1277 58.997 -6.940 -5.889 0.00 0.00 WAT1 ATOM 5875 OH2 TIP3 1278 58.742 -3.254 -9.315 0.00 0.00 WAT1 ATOM 5876 H1 TIP3 1278 59.688 -3.398 -9.334 0.00 0.00 WAT1 ATOM 5877 H2 TIP3 1278 58.629 -2.470 -8.778 0.00 0.00 WAT1 ATOM 5878 OH2 TIP3 1279 61.986 -0.453 -13.170 0.00 0.00 WAT1 ATOM 5879 H1 TIP3 1279 62.138 -0.801 -12.291 0.00 0.00 WAT1 ATOM 5880 H2 TIP3 1279 61.135 -0.809 -13.425 0.00 0.00 WAT1 ATOM 5881 OH2 TIP3 1280 63.947 -11.054 -13.153 0.00 0.00 WAT1 ATOM 5882 H1 TIP3 1280 63.054 -11.395 -13.212 0.00 0.00 WAT1 ATOM 5883 H2 TIP3 1280 64.398 -11.431 -13.909 0.00 0.00 WAT1 ATOM 5884 OH2 TIP3 1281 59.583 -13.093 -16.924 0.00 0.00 WAT1 ATOM 5885 H1 TIP3 1281 60.057 -12.502 -17.509 0.00 0.00 WAT1 ATOM 5886 H2 TIP3 1281 58.865 -12.562 -16.577 0.00 0.00 WAT1 ATOM 5887 OH2 TIP3 1282 61.357 -11.998 -13.240 0.00 0.00 WAT1 ATOM 5888 H1 TIP3 1282 60.468 -11.898 -13.580 0.00 0.00 WAT1 ATOM 5889 H2 TIP3 1282 61.653 -12.840 -13.586 0.00 0.00 WAT1 ATOM 5890 OH2 TIP3 1283 62.851 -14.703 -13.762 0.00 0.00 WAT1 ATOM 5891 H1 TIP3 1283 62.534 -15.605 -13.797 0.00 0.00 WAT1 ATOM 5892 H2 TIP3 1283 63.632 -14.701 -14.314 0.00 0.00 WAT1 ATOM 5893 OH2 TIP3 1284 62.144 -6.943 -10.312 0.00 0.00 WAT1 ATOM 5894 H1 TIP3 1284 62.889 -6.945 -10.913 0.00 0.00 WAT1 ATOM 5895 H2 TIP3 1284 62.222 -7.767 -9.830 0.00 0.00 WAT1 ATOM 5896 OH2 TIP3 1285 60.274 -8.563 -18.320 0.00 0.00 WAT1 ATOM 5897 H1 TIP3 1285 60.890 -7.936 -17.941 0.00 0.00 WAT1 ATOM 5898 H2 TIP3 1285 59.412 -8.247 -18.049 0.00 0.00 WAT1 ATOM 5899 OH2 TIP3 1286 60.786 -13.729 -5.439 0.00 0.00 WAT1 ATOM 5900 H1 TIP3 1286 59.893 -13.390 -5.506 0.00 0.00 WAT1 ATOM 5901 H2 TIP3 1286 60.687 -14.584 -5.021 0.00 0.00 WAT1 ATOM 5902 OH2 TIP3 1287 60.437 -1.924 -7.004 0.00 0.00 WAT1 ATOM 5903 H1 TIP3 1287 60.654 -2.856 -7.035 0.00 0.00 WAT1 ATOM 5904 H2 TIP3 1287 60.684 -1.650 -6.120 0.00 0.00 WAT1 ATOM 5905 OH2 TIP3 1288 61.689 -6.650 -16.828 0.00 0.00 WAT1 ATOM 5906 H1 TIP3 1288 61.003 -6.298 -16.261 0.00 0.00 WAT1 ATOM 5907 H2 TIP3 1288 62.212 -5.887 -17.074 0.00 0.00 WAT1 ATOM 5908 OH2 TIP3 1289 65.312 -1.162 -16.607 0.00 0.00 WAT1 ATOM 5909 H1 TIP3 1289 65.473 -0.362 -17.108 0.00 0.00 WAT1 ATOM 5910 H2 TIP3 1289 65.115 -0.855 -15.722 0.00 0.00 WAT1 ATOM 5911 OH2 TIP3 1290 62.305 -4.036 -17.931 0.00 0.00 WAT1 ATOM 5912 H1 TIP3 1290 62.897 -3.337 -17.655 0.00 0.00 WAT1 ATOM 5913 H2 TIP3 1290 62.764 -4.469 -18.650 0.00 0.00 WAT1 ATOM 5914 OH2 TIP3 1291 60.621 -11.372 -18.815 0.00 0.00 WAT1 ATOM 5915 H1 TIP3 1291 60.576 -10.433 -18.636 0.00 0.00 WAT1 ATOM 5916 H2 TIP3 1291 59.733 -11.608 -19.085 0.00 0.00 WAT1 ATOM 5917 OH2 TIP3 1292 61.429 -16.590 -10.142 0.00 0.00 WAT1 ATOM 5918 H1 TIP3 1292 61.200 -16.531 -11.069 0.00 0.00 WAT1 ATOM 5919 H2 TIP3 1292 60.986 -17.382 -9.835 0.00 0.00 WAT1 ATOM 5920 OH2 TIP3 1293 60.359 -2.650 -13.981 0.00 0.00 WAT1 ATOM 5921 H1 TIP3 1293 59.527 -2.177 -13.954 0.00 0.00 WAT1 ATOM 5922 H2 TIP3 1293 60.905 -2.140 -14.580 0.00 0.00 WAT1 ATOM 5923 OH2 TIP3 1294 63.896 -5.883 -19.565 0.00 0.00 WAT1 ATOM 5924 H1 TIP3 1294 63.960 -6.677 -19.034 0.00 0.00 WAT1 ATOM 5925 H2 TIP3 1294 64.549 -6.002 -20.254 0.00 0.00 WAT1 ATOM 5926 OH2 TIP3 1295 59.101 -0.867 -11.630 0.00 0.00 WAT1 ATOM 5927 H1 TIP3 1295 58.767 -1.748 -11.458 0.00 0.00 WAT1 ATOM 5928 H2 TIP3 1295 59.323 -0.522 -10.766 0.00 0.00 WAT1 ATOM 5929 OH2 TIP3 1296 59.181 -7.792 -9.179 0.00 0.00 WAT1 ATOM 5930 H1 TIP3 1296 59.365 -7.874 -10.114 0.00 0.00 WAT1 ATOM 5931 H2 TIP3 1296 60.030 -7.916 -8.755 0.00 0.00 WAT1 ATOM 5932 OH2 TIP3 1297 58.304 -11.210 -9.078 0.00 0.00 WAT1 ATOM 5933 H1 TIP3 1297 58.796 -11.431 -9.868 0.00 0.00 WAT1 ATOM 5934 H2 TIP3 1297 58.666 -10.369 -8.797 0.00 0.00 WAT1 ATOM 5935 OH2 TIP3 1298 58.581 -16.214 -6.679 0.00 0.00 WAT1 ATOM 5936 H1 TIP3 1298 57.916 -16.460 -6.036 0.00 0.00 WAT1 ATOM 5937 H2 TIP3 1298 58.138 -15.592 -7.256 0.00 0.00 WAT1 ATOM 5938 OH2 TIP3 1299 60.544 -0.185 -9.318 0.00 0.00 WAT1 ATOM 5939 H1 TIP3 1299 60.525 -0.610 -8.461 0.00 0.00 WAT1 ATOM 5940 H2 TIP3 1299 61.349 -0.503 -9.727 0.00 0.00 WAT1 ATOM 5941 OH2 TIP3 1300 61.057 -16.707 -12.848 0.00 0.00 WAT1 ATOM 5942 H1 TIP3 1300 60.280 -16.941 -13.356 0.00 0.00 WAT1 ATOM 5943 H2 TIP3 1300 61.588 -17.504 -12.840 0.00 0.00 WAT1 ATOM 5944 OH2 TIP3 1301 59.894 -16.909 -17.045 0.00 0.00 WAT1 ATOM 5945 H1 TIP3 1301 60.333 -16.298 -17.636 0.00 0.00 WAT1 ATOM 5946 H2 TIP3 1301 59.260 -16.371 -16.571 0.00 0.00 WAT1 ATOM 5947 OH2 TIP3 1302 61.755 -14.993 -18.602 0.00 0.00 WAT1 ATOM 5948 H1 TIP3 1302 62.246 -15.623 -19.130 0.00 0.00 WAT1 ATOM 5949 H2 TIP3 1302 62.378 -14.697 -17.939 0.00 0.00 WAT1 ATOM 5950 OH2 TIP3 1303 61.613 -0.041 -19.122 0.00 0.00 WAT1 ATOM 5951 H1 TIP3 1303 61.345 0.246 -18.249 0.00 0.00 WAT1 ATOM 5952 H2 TIP3 1303 62.384 -0.587 -18.970 0.00 0.00 WAT1 ATOM 5953 OH2 TIP3 1304 58.308 5.017 -31.204 0.00 0.00 WAT1 ATOM 5954 H1 TIP3 1304 58.939 4.988 -30.484 0.00 0.00 WAT1 ATOM 5955 H2 TIP3 1304 58.758 4.592 -31.934 0.00 0.00 WAT1 ATOM 5956 OH2 TIP3 1305 60.786 5.127 -24.295 0.00 0.00 WAT1 ATOM 5957 H1 TIP3 1305 59.893 5.466 -24.362 0.00 0.00 WAT1 ATOM 5958 H2 TIP3 1305 60.687 4.272 -23.877 0.00 0.00 WAT1 ATOM 5959 OH2 TIP3 1306 61.429 2.266 -28.998 0.00 0.00 WAT1 ATOM 5960 H1 TIP3 1306 61.200 2.325 -29.925 0.00 0.00 WAT1 ATOM 5961 H2 TIP3 1306 60.986 1.474 -28.691 0.00 0.00 WAT1 ATOM 5962 OH2 TIP3 1307 61.333 5.312 -21.060 0.00 0.00 WAT1 ATOM 5963 H1 TIP3 1307 61.544 4.605 -21.671 0.00 0.00 WAT1 ATOM 5964 H2 TIP3 1307 61.221 4.874 -20.216 0.00 0.00 WAT1 ATOM 5965 OH2 TIP3 1308 58.779 6.335 -21.894 0.00 0.00 WAT1 ATOM 5966 H1 TIP3 1308 59.698 6.213 -21.658 0.00 0.00 WAT1 ATOM 5967 H2 TIP3 1308 58.329 5.585 -21.505 0.00 0.00 WAT1 ATOM 5968 OH2 TIP3 1309 60.000 4.647 -29.003 0.00 0.00 WAT1 ATOM 5969 H1 TIP3 1309 60.445 3.855 -28.701 0.00 0.00 WAT1 ATOM 5970 H2 TIP3 1309 60.466 5.363 -28.572 0.00 0.00 WAT1 ATOM 5971 OH2 TIP3 1310 58.304 7.646 -27.934 0.00 0.00 WAT1 ATOM 5972 H1 TIP3 1310 58.796 7.425 -28.724 0.00 0.00 WAT1 ATOM 5973 H2 TIP3 1310 58.666 8.487 -27.653 0.00 0.00 WAT1 ATOM 5974 OH2 TIP3 1311 58.617 3.904 -33.879 0.00 0.00 WAT1 ATOM 5975 H1 TIP3 1311 57.692 4.113 -34.009 0.00 0.00 WAT1 ATOM 5976 H2 TIP3 1311 59.071 4.388 -34.569 0.00 0.00 WAT1 ATOM 5977 OH2 TIP3 1312 58.581 2.642 -25.535 0.00 0.00 WAT1 ATOM 5978 H1 TIP3 1312 57.916 2.396 -24.892 0.00 0.00 WAT1 ATOM 5979 H2 TIP3 1312 58.138 3.264 -26.112 0.00 0.00 WAT1 ATOM 5980 OH2 TIP3 1313 61.057 2.149 -31.704 0.00 0.00 WAT1 ATOM 5981 H1 TIP3 1313 60.280 1.915 -32.212 0.00 0.00 WAT1 ATOM 5982 H2 TIP3 1313 61.588 1.352 -31.696 0.00 0.00 WAT1 ATOM 5983 OH2 TIP3 1314 59.894 1.947 -35.901 0.00 0.00 WAT1 ATOM 5984 H1 TIP3 1314 60.333 2.558 -36.492 0.00 0.00 WAT1 ATOM 5985 H2 TIP3 1314 59.260 2.485 -35.427 0.00 0.00 WAT1 ATOM 5986 OH2 TIP3 1315 61.015 2.663 -22.187 0.00 0.00 WAT1 ATOM 5987 H1 TIP3 1315 60.649 1.898 -21.744 0.00 0.00 WAT1 ATOM 5988 H2 TIP3 1315 61.928 2.692 -21.900 0.00 0.00 WAT1 ATOM 5989 OH2 TIP3 1316 62.988 2.014 -20.651 0.00 0.00 WAT1 ATOM 5990 H1 TIP3 1316 63.887 1.740 -20.836 0.00 0.00 WAT1 ATOM 5991 H2 TIP3 1316 62.602 1.271 -20.187 0.00 0.00 WAT1 ATOM 5992 OH2 TIP3 1317 58.971 8.285 -13.950 0.00 0.00 WAT1 ATOM 5993 H1 TIP3 1317 58.523 9.131 -13.968 0.00 0.00 WAT1 ATOM 5994 H2 TIP3 1317 58.410 7.705 -14.465 0.00 0.00 WAT1 ATOM 5995 OH2 TIP3 1318 60.374 7.885 -10.703 0.00 0.00 WAT1 ATOM 5996 H1 TIP3 1318 61.028 7.335 -10.271 0.00 0.00 WAT1 ATOM 5997 H2 TIP3 1318 60.398 7.611 -11.619 0.00 0.00 WAT1 ATOM 5998 OH2 TIP3 1319 59.583 5.763 -16.924 0.00 0.00 WAT1 ATOM 5999 H1 TIP3 1319 60.057 6.354 -17.509 0.00 0.00 WAT1 ATOM 6000 H2 TIP3 1319 58.865 6.294 -16.577 0.00 0.00 WAT1 ATOM 6001 OH2 TIP3 1320 61.357 6.858 -13.240 0.00 0.00 WAT1 ATOM 6002 H1 TIP3 1320 60.468 6.958 -13.580 0.00 0.00 WAT1 ATOM 6003 H2 TIP3 1320 61.653 6.016 -13.586 0.00 0.00 WAT1 ATOM 6004 OH2 TIP3 1321 62.851 4.153 -13.762 0.00 0.00 WAT1 ATOM 6005 H1 TIP3 1321 62.534 3.251 -13.797 0.00 0.00 WAT1 ATOM 6006 H2 TIP3 1321 63.632 4.155 -14.314 0.00 0.00 WAT1 ATOM 6007 OH2 TIP3 1322 64.046 4.392 -16.991 0.00 0.00 WAT1 ATOM 6008 H1 TIP3 1322 63.963 5.281 -16.645 0.00 0.00 WAT1 ATOM 6009 H2 TIP3 1322 64.936 4.127 -16.760 0.00 0.00 WAT1 ATOM 6010 OH2 TIP3 1323 60.621 7.484 -18.815 0.00 0.00 WAT1 ATOM 6011 H1 TIP3 1323 60.576 8.423 -18.636 0.00 0.00 WAT1 ATOM 6012 H2 TIP3 1323 59.733 7.248 -19.085 0.00 0.00 WAT1 ATOM 6013 OH2 TIP3 1324 61.429 2.266 -10.142 0.00 0.00 WAT1 ATOM 6014 H1 TIP3 1324 61.200 2.325 -11.069 0.00 0.00 WAT1 ATOM 6015 H2 TIP3 1324 60.986 1.474 -9.835 0.00 0.00 WAT1 ATOM 6016 OH2 TIP3 1325 60.000 4.647 -10.147 0.00 0.00 WAT1 ATOM 6017 H1 TIP3 1325 60.445 3.855 -9.845 0.00 0.00 WAT1 ATOM 6018 H2 TIP3 1325 60.466 5.363 -9.716 0.00 0.00 WAT1 ATOM 6019 OH2 TIP3 1326 58.304 7.646 -9.078 0.00 0.00 WAT1 ATOM 6020 H1 TIP3 1326 58.796 7.425 -9.868 0.00 0.00 WAT1 ATOM 6021 H2 TIP3 1326 58.666 8.487 -8.797 0.00 0.00 WAT1 ATOM 6022 OH2 TIP3 1327 58.581 2.642 -6.679 0.00 0.00 WAT1 ATOM 6023 H1 TIP3 1327 57.916 2.396 -6.036 0.00 0.00 WAT1 ATOM 6024 H2 TIP3 1327 58.138 3.264 -7.256 0.00 0.00 WAT1 ATOM 6025 OH2 TIP3 1328 61.057 2.149 -12.848 0.00 0.00 WAT1 ATOM 6026 H1 TIP3 1328 60.280 1.915 -13.356 0.00 0.00 WAT1 ATOM 6027 H2 TIP3 1328 61.588 1.352 -12.840 0.00 0.00 WAT1 ATOM 6028 OH2 TIP3 1329 61.755 3.863 -18.602 0.00 0.00 WAT1 ATOM 6029 H1 TIP3 1329 62.246 3.233 -19.130 0.00 0.00 WAT1 ATOM 6030 H2 TIP3 1329 62.378 4.159 -17.939 0.00 0.00 WAT1 END