REMARK FILENAME="/farm/data/gliu/projects/HR4653B/cns/calc30a/refinedPDB_w/re" REMARK =============================================================== REMARK overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih REMARK energies: -1693.22, 81.8169, 85.4784, 41.3571, 425.799, -261.77, -2066.51, 0.565831, 4.064634E-02 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.331861E-03,0.451423,1.16984,42.3004,2.351254E-03,9.248494E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 12, 1 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:47 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 8.840 -17.644 20.023 1.00 54.35 ATOM 2 CB MET 1 9.392 -16.772 18.143 1.00 74.42 ATOM 3 HB1 MET 1 9.496 -15.770 18.533 1.00 38.28 ATOM 4 HB2 MET 1 8.983 -16.716 17.142 1.00 40.31 ATOM 5 CG MET 1 10.779 -17.398 18.058 1.00 31.03 ATOM 6 HG1 MET 1 11.211 -17.421 19.048 1.00 38.28 ATOM 7 HG2 MET 1 11.396 -16.790 17.411 1.00 42.35 ATOM 8 SD MET 1 10.746 -19.081 17.405 1.00 33.25 ATOM 9 CE MET 1 12.492 -19.487 17.427 1.00 54.10 ATOM 10 HE1 MET 1 13.034 -18.780 16.818 1.00 2.21 ATOM 11 HE2 MET 1 12.636 -20.483 17.036 1.00 51.34 ATOM 12 HE3 MET 1 12.859 -19.443 18.444 1.00 54.34 ATOM 13 C MET 1 7.083 -16.786 19.146 1.00 21.42 ATOM 14 O MET 1 6.057 -17.238 18.638 1.00 74.24 ATOM 15 N MET 1 8.207 -18.920 18.493 1.00 60.33 ATOM 16 HT1 MET 1 7.548 -19.447 19.099 1.00 38.28 ATOM 17 HT2 MET 1 9.110 -19.435 18.460 1.00 38.28 ATOM 18 HT3 MET 1 7.812 -18.875 17.530 1.00 38.28 ATOM 19 CA MET 1 8.413 -17.550 19.034 1.00 53.21 ATOM 20 N GLY 2 7.103 -15.632 19.817 1.00 60.41 ATOM 21 HN GLY 2 7.946 -15.329 20.219 1.00 38.28 ATOM 22 CA GLY 2 5.890 -14.825 19.971 1.00 31.31 ATOM 23 HA1 GLY 2 5.419 -15.085 20.909 1.00 38.28 ATOM 24 HA2 GLY 2 5.205 -15.059 19.168 1.00 61.35 ATOM 25 C GLY 2 6.159 -13.322 19.958 1.00 13.32 ATOM 26 O GLY 2 6.265 -12.691 21.012 1.00 41.55 ATOM 27 N HIS 3 6.273 -12.747 18.764 1.00 61.24 ATOM 28 HN HIS 3 6.195 -13.304 17.963 1.00 38.28 ATOM 29 CA HIS 3 6.537 -11.311 18.614 1.00 1.23 ATOM 30 HA HIS 3 7.308 -11.048 19.326 1.00 52.33 ATOM 31 CB HIS 3 7.063 -11.010 17.199 1.00 1.23 ATOM 32 HB1 HIS 3 7.984 -11.558 17.042 1.00 38.28 ATOM 33 HB2 HIS 3 7.269 -9.952 17.119 1.00 23.02 ATOM 34 CG HIS 3 6.110 -11.381 16.093 1.00 73.21 ATOM 35 ND1 HIS 3 5.564 -10.459 15.223 1.00 14.24 ATOM 36 HD1 HIS 3 5.734 -9.493 15.227 1.00 4.42 ATOM 37 CD2 HIS 3 5.604 -12.582 15.716 1.00 54.40 ATOM 38 HD2 HIS 3 5.816 -13.540 16.173 1.00 72.33 ATOM 39 CE1 HIS 3 4.771 -11.073 14.369 1.00 62.02 ATOM 40 HE1 HIS 3 4.217 -10.602 13.570 1.00 20.33 ATOM 41 NE2 HIS 3 4.778 -12.358 14.645 1.00 1.44 ATOM 42 HE2 HIS 3 4.188 -13.025 14.233 1.00 38.28 ATOM 43 C HIS 3 5.294 -10.449 18.909 1.00 4.12 ATOM 44 O HIS 3 4.391 -10.328 18.080 1.00 3.13 ATOM 45 N HIS 4 5.250 -9.858 20.102 1.00 62.23 ATOM 46 HN HIS 4 5.953 -10.051 20.756 1.00 38.28 ATOM 47 CA HIS 4 4.172 -8.927 20.456 1.00 60.22 ATOM 48 HA HIS 4 3.246 -9.338 20.070 1.00 62.12 ATOM 49 CB HIS 4 4.047 -8.779 21.979 1.00 21.33 ATOM 50 HB1 HIS 4 3.334 -7.996 22.201 1.00 38.28 ATOM 51 HB2 HIS 4 5.008 -8.509 22.390 1.00 63.40 ATOM 52 CG HIS 4 3.582 -10.029 22.667 1.00 73.31 ATOM 53 ND1 HIS 4 4.360 -10.738 23.559 1.00 24.21 ATOM 54 HD1 HIS 4 5.274 -10.502 23.840 1.00 74.11 ATOM 55 CD2 HIS 4 2.405 -10.698 22.593 1.00 3.10 ATOM 56 HD2 HIS 4 1.551 -10.427 21.988 1.00 25.25 ATOM 57 CE1 HIS 4 3.688 -11.780 24.000 1.00 52.12 ATOM 58 HE1 HIS 4 4.048 -12.507 24.711 1.00 61.52 ATOM 59 NE2 HIS 4 2.501 -11.782 23.432 1.00 51.23 ATOM 60 HE2 HIS 4 1.756 -12.365 23.695 1.00 38.28 ATOM 61 C HIS 4 4.405 -7.557 19.801 1.00 10.45 ATOM 62 O HIS 4 5.260 -6.785 20.237 1.00 23.04 ATOM 63 N HIS 5 3.642 -7.268 18.751 1.00 73.30 ATOM 64 HN HIS 5 2.931 -7.897 18.500 1.00 38.28 ATOM 65 CA HIS 5 3.820 -6.046 17.955 1.00 10.51 ATOM 66 HA HIS 5 4.635 -5.475 18.383 1.00 43.35 ATOM 67 CB HIS 5 4.188 -6.446 16.516 1.00 33.00 ATOM 68 HB1 HIS 5 3.347 -6.961 16.070 1.00 38.28 ATOM 69 HB2 HIS 5 5.031 -7.121 16.547 1.00 34.02 ATOM 70 CG HIS 5 4.559 -5.305 15.616 1.00 42.11 ATOM 71 ND1 HIS 5 3.772 -4.887 14.562 1.00 50.30 ATOM 72 HD1 HIS 5 2.902 -5.269 14.308 1.00 71.02 ATOM 73 CD2 HIS 5 5.660 -4.518 15.589 1.00 53.44 ATOM 74 HD2 HIS 5 6.497 -4.561 16.273 1.00 13.55 ATOM 75 CE1 HIS 5 4.371 -3.898 13.931 1.00 41.12 ATOM 76 HE1 HIS 5 3.986 -3.374 13.068 1.00 71.31 ATOM 77 NE2 HIS 5 5.516 -3.654 14.533 1.00 10.22 ATOM 78 HE2 HIS 5 6.077 -2.866 14.368 1.00 38.28 ATOM 79 C HIS 5 2.541 -5.186 17.974 1.00 41.34 ATOM 80 O HIS 5 1.531 -5.551 17.373 1.00 42.02 ATOM 81 N HIS 6 2.583 -4.046 18.670 1.00 32.12 ATOM 82 HN HIS 6 3.425 -3.778 19.100 1.00 38.28 ATOM 83 CA HIS 6 1.394 -3.185 18.806 1.00 24.24 ATOM 84 HA HIS 6 0.689 -3.469 18.037 1.00 63.41 ATOM 85 CB HIS 6 0.736 -3.400 20.181 1.00 33.34 ATOM 86 HB1 HIS 6 0.646 -4.462 20.367 1.00 38.28 ATOM 87 HB2 HIS 6 -0.251 -2.960 20.174 1.00 5.21 ATOM 88 CG HIS 6 1.501 -2.795 21.327 1.00 50.21 ATOM 89 ND1 HIS 6 2.583 -3.407 21.924 1.00 11.51 ATOM 90 HD1 HIS 6 2.956 -4.282 21.681 1.00 62.33 ATOM 91 CD2 HIS 6 1.344 -1.613 21.977 1.00 41.31 ATOM 92 HD2 HIS 6 0.587 -0.867 21.778 1.00 34.33 ATOM 93 CE1 HIS 6 3.052 -2.636 22.883 1.00 15.14 ATOM 94 HE1 HIS 6 3.892 -2.863 23.522 1.00 54.24 ATOM 95 NE2 HIS 6 2.321 -1.545 22.934 1.00 34.10 ATOM 96 HE2 HIS 6 2.479 -0.788 23.540 1.00 38.28 ATOM 97 C HIS 6 1.735 -1.693 18.630 1.00 52.40 ATOM 98 O HIS 6 2.867 -1.273 18.874 1.00 0.32 ATOM 99 N HIS 7 0.749 -0.908 18.188 1.00 24.42 ATOM 100 HN HIS 7 -0.075 -1.328 17.856 1.00 38.28 ATOM 101 CA HIS 7 0.855 0.561 18.163 1.00 60.42 ATOM 102 HA HIS 7 1.288 0.865 19.107 1.00 11.54 ATOM 103 CB HIS 7 1.779 1.050 17.022 1.00 62.02 ATOM 104 HB1 HIS 7 2.774 0.656 17.188 1.00 38.28 ATOM 105 HB2 HIS 7 1.826 2.128 17.052 1.00 11.25 ATOM 106 CG HIS 7 1.356 0.656 15.634 1.00 10.42 ATOM 107 ND1 HIS 7 2.144 -0.102 14.800 1.00 10.22 ATOM 108 HD1 HIS 7 3.031 -0.461 15.022 1.00 1.14 ATOM 109 CD2 HIS 7 0.242 0.951 14.918 1.00 35.30 ATOM 110 HD2 HIS 7 -0.602 1.536 15.258 1.00 71.54 ATOM 111 CE1 HIS 7 1.539 -0.261 13.643 1.00 22.00 ATOM 112 HE1 HIS 7 1.926 -0.811 12.798 1.00 51.33 ATOM 113 NE2 HIS 7 0.381 0.364 13.686 1.00 12.22 ATOM 114 HE2 HIS 7 -0.349 0.228 13.042 1.00 38.28 ATOM 115 C HIS 7 -0.536 1.212 18.050 1.00 41.43 ATOM 116 O HIS 7 -1.387 0.754 17.286 1.00 34.24 ATOM 117 N HIS 8 -0.768 2.266 18.830 1.00 2.02 ATOM 118 HN HIS 8 -0.072 2.548 19.466 1.00 38.28 ATOM 119 CA HIS 8 -2.033 3.015 18.779 1.00 35.24 ATOM 120 HA HIS 8 -2.583 2.677 17.911 1.00 24.32 ATOM 121 CB HIS 8 -2.882 2.741 20.030 1.00 72.25 ATOM 122 HB1 HIS 8 -3.694 3.455 20.074 1.00 38.28 ATOM 123 HB2 HIS 8 -2.263 2.860 20.908 1.00 61.31 ATOM 124 CG HIS 8 -3.476 1.363 20.068 1.00 75.03 ATOM 125 ND1 HIS 8 -4.661 1.042 19.440 1.00 54.41 ATOM 126 HD1 HIS 8 -5.216 1.655 18.910 1.00 14.14 ATOM 127 CD2 HIS 8 -3.052 0.221 20.662 1.00 13.15 ATOM 128 HD2 HIS 8 -2.147 0.095 21.240 1.00 62.10 ATOM 129 CE1 HIS 8 -4.943 -0.226 19.652 1.00 5.41 ATOM 130 HE1 HIS 8 -5.814 -0.749 19.287 1.00 22.30 ATOM 131 NE2 HIS 8 -3.984 -0.749 20.387 1.00 42.01 ATOM 132 HE2 HIS 8 -4.038 -1.620 20.833 1.00 38.28 ATOM 133 C HIS 8 -1.785 4.522 18.634 1.00 10.44 ATOM 134 O HIS 8 -1.428 5.201 19.600 1.00 53.11 ATOM 135 N SER 9 -1.969 5.035 17.420 1.00 52.12 ATOM 136 HN SER 9 -2.217 4.434 16.684 1.00 38.28 ATOM 137 CA SER 9 -1.823 6.470 17.146 1.00 1.14 ATOM 138 HA SER 9 -1.018 6.848 17.760 1.00 25.25 ATOM 139 CB SER 9 -1.474 6.698 15.669 1.00 33.11 ATOM 140 HB1 SER 9 -1.365 7.758 15.485 1.00 38.28 ATOM 141 HB2 SER 9 -2.266 6.307 15.047 1.00 11.01 ATOM 142 OG SER 9 -0.260 6.050 15.319 1.00 44.13 ATOM 143 HG SER 9 -0.145 6.078 14.362 1.00 24.44 ATOM 144 C SER 9 -3.111 7.225 17.496 1.00 22.42 ATOM 145 O SER 9 -4.187 6.630 17.582 1.00 61.33 ATOM 146 N HIS 10 -3.002 8.534 17.704 1.00 11.02 ATOM 147 HN HIS 10 -2.121 8.961 17.610 1.00 38.28 ATOM 148 CA HIS 10 -4.167 9.357 18.061 1.00 14.33 ATOM 149 HA HIS 10 -5.046 8.726 18.006 1.00 12.12 ATOM 150 CB HIS 10 -4.025 9.875 19.497 1.00 14.33 ATOM 151 HB1 HIS 10 -4.875 10.498 19.738 1.00 38.28 ATOM 152 HB2 HIS 10 -3.122 10.463 19.573 1.00 62.12 ATOM 153 CG HIS 10 -3.949 8.779 20.519 1.00 32.34 ATOM 154 ND1 HIS 10 -5.060 8.210 21.104 1.00 12.21 ATOM 155 HD1 HIS 10 -5.991 8.470 20.941 1.00 44.13 ATOM 156 CD2 HIS 10 -2.883 8.126 21.041 1.00 65.24 ATOM 157 HD2 HIS 10 -1.843 8.311 20.814 1.00 72.24 ATOM 158 CE1 HIS 10 -4.683 7.262 21.937 1.00 53.31 ATOM 159 HE1 HIS 10 -5.341 6.646 22.530 1.00 5.35 ATOM 160 NE2 HIS 10 -3.371 7.190 21.918 1.00 74.31 ATOM 161 HE2 HIS 10 -2.844 6.475 22.333 1.00 38.28 ATOM 162 C HIS 10 -4.351 10.526 17.077 1.00 74.41 ATOM 163 O HIS 10 -3.634 11.528 17.137 1.00 31.34 ATOM 164 N MET 11 -5.319 10.381 16.173 1.00 72.31 ATOM 165 HN MET 11 -5.874 9.571 16.205 1.00 38.28 ATOM 166 CA MET 11 -5.593 11.383 15.136 1.00 72.33 ATOM 167 HA MET 11 -5.090 12.301 15.413 1.00 20.23 ATOM 168 CB MET 11 -5.034 10.891 13.789 1.00 61.11 ATOM 169 HB1 MET 11 -5.497 9.943 13.547 1.00 38.28 ATOM 170 HB2 MET 11 -3.968 10.742 13.890 1.00 25.25 ATOM 171 CG MET 11 -5.267 11.846 12.625 1.00 71.12 ATOM 172 HG1 MET 11 -4.852 12.812 12.878 1.00 38.28 ATOM 173 HG2 MET 11 -6.331 11.945 12.465 1.00 30.13 ATOM 174 SD MET 11 -4.506 11.273 11.092 1.00 72.01 ATOM 175 CE MET 11 -5.070 12.526 9.941 1.00 1.22 ATOM 176 HE1 MET 11 -4.728 13.497 10.268 1.00 54.33 ATOM 177 HE2 MET 11 -6.149 12.519 9.901 1.00 14.52 ATOM 178 HE3 MET 11 -4.673 12.318 8.957 1.00 64.55 ATOM 179 C MET 11 -7.106 11.660 15.025 1.00 60.45 ATOM 180 O MET 11 -7.922 10.835 15.444 1.00 60.20 ATOM 181 N ALA 12 -7.465 12.823 14.468 1.00 74.15 ATOM 182 HN ALA 12 -6.762 13.438 14.173 1.00 38.28 ATOM 183 CA ALA 12 -8.873 13.224 14.289 1.00 71.21 ATOM 184 HA ALA 12 -8.872 14.136 13.707 1.00 54.44 ATOM 185 CB ALA 12 -9.655 12.173 13.497 1.00 42.11 ATOM 186 HB1 ALA 12 -9.165 11.997 12.550 1.00 43.15 ATOM 187 HB2 ALA 12 -10.661 12.526 13.322 1.00 42.34 ATOM 188 HB3 ALA 12 -9.691 11.251 14.059 1.00 41.23 ATOM 189 C ALA 12 -9.558 13.524 15.633 1.00 52.01 ATOM 190 O ALA 12 -10.237 12.672 16.215 1.00 54.44 ATOM 191 N LYS 13 -9.367 14.746 16.120 1.00 34.33 ATOM 192 HN LYS 13 -8.823 15.378 15.604 1.00 38.28 ATOM 193 CA LYS 13 -9.939 15.185 17.399 1.00 14.24 ATOM 194 HA LYS 13 -10.277 14.309 17.934 1.00 15.43 ATOM 195 CB LYS 13 -8.859 15.892 18.234 1.00 21.11 ATOM 196 HB1 LYS 13 -9.295 16.208 19.171 1.00 38.28 ATOM 197 HB2 LYS 13 -8.517 16.764 17.695 1.00 41.20 ATOM 198 CG LYS 13 -7.648 15.013 18.541 1.00 43.03 ATOM 199 HG1 LYS 13 -7.225 14.666 17.608 1.00 38.28 ATOM 200 HG2 LYS 13 -7.972 14.163 19.126 1.00 54.45 ATOM 201 CD LYS 13 -6.571 15.765 19.325 1.00 25.12 ATOM 202 HD1 LYS 13 -5.782 15.073 19.587 1.00 38.28 ATOM 203 HD2 LYS 13 -7.011 16.164 20.229 1.00 64.33 ATOM 204 CE LYS 13 -5.973 16.917 18.521 1.00 0.14 ATOM 205 HE1 LYS 13 -6.758 17.617 18.276 1.00 38.28 ATOM 206 HE2 LYS 13 -5.547 16.523 17.608 1.00 22.12 ATOM 207 NZ LYS 13 -4.910 17.630 19.280 1.00 71.35 ATOM 208 HZ1 LYS 13 -4.178 16.956 19.585 1.00 14.31 ATOM 209 HZ2 LYS 13 -5.314 18.091 20.121 1.00 41.30 ATOM 210 HZ3 LYS 13 -4.465 18.357 18.683 1.00 61.22 ATOM 211 C LYS 13 -11.137 16.130 17.181 1.00 34.33 ATOM 212 O LYS 13 -11.112 16.970 16.275 1.00 1.52 ATOM 213 N PRO 14 -12.196 16.018 18.012 1.00 45.42 ATOM 214 CA PRO 14 -13.396 16.869 17.888 1.00 40.44 ATOM 215 HA PRO 14 -13.885 16.711 16.936 1.00 75.24 ATOM 216 CB PRO 14 -14.314 16.376 19.023 1.00 73.34 ATOM 217 HB1 PRO 14 -15.057 15.701 18.620 1.00 38.28 ATOM 218 HB2 PRO 14 -14.806 17.217 19.492 1.00 31.24 ATOM 219 CG PRO 14 -13.406 15.672 19.978 1.00 43.33 ATOM 220 HG1 PRO 14 -13.951 14.897 20.501 1.00 38.28 ATOM 221 HG2 PRO 14 -12.991 16.379 20.684 1.00 10.51 ATOM 222 CD PRO 14 -12.315 15.067 19.135 1.00 13.44 ATOM 223 HD1 PRO 14 -12.606 14.087 18.782 1.00 38.28 ATOM 224 HD2 PRO 14 -11.391 15.009 19.694 1.00 54.52 ATOM 225 C PRO 14 -13.074 18.367 18.043 1.00 2.31 ATOM 226 O PRO 14 -12.834 18.858 19.150 1.00 34.01 ATOM 227 N THR 15 -13.059 19.085 16.922 1.00 20.20 ATOM 228 HN THR 15 -13.314 18.653 16.079 1.00 38.28 ATOM 229 CA THR 15 -12.692 20.506 16.910 1.00 73.04 ATOM 230 HA THR 15 -12.135 20.716 17.815 1.00 33.35 ATOM 231 CB THR 15 -11.785 20.841 15.697 1.00 55.10 ATOM 232 HB THR 15 -12.351 20.678 14.788 1.00 22.25 ATOM 233 OG1 THR 15 -10.634 19.974 15.689 1.00 1.25 ATOM 234 HG1 THR 15 -10.886 19.110 16.039 1.00 51.52 ATOM 235 CG2 THR 15 -11.323 22.296 15.733 1.00 44.52 ATOM 236 HG21 THR 15 -12.183 22.950 15.727 1.00 35.15 ATOM 237 HG22 THR 15 -10.710 22.501 14.866 1.00 52.15 ATOM 238 HG23 THR 15 -10.745 22.470 16.630 1.00 32.53 ATOM 239 C THR 15 -13.937 21.403 16.876 1.00 41.11 ATOM 240 O THR 15 -14.631 21.480 15.862 1.00 31.22 ATOM 241 N ALA 16 -14.214 22.077 17.993 1.00 54.44 ATOM 242 HN ALA 16 -13.612 21.987 18.763 1.00 38.28 ATOM 243 CA ALA 16 -15.390 22.950 18.103 1.00 22.45 ATOM 244 HA ALA 16 -16.239 22.411 17.706 1.00 21.11 ATOM 245 CB ALA 16 -15.681 23.268 19.569 1.00 32.30 ATOM 246 HB1 ALA 16 -16.592 23.846 19.639 1.00 24.55 ATOM 247 HB2 ALA 16 -14.863 23.837 19.986 1.00 11.42 ATOM 248 HB3 ALA 16 -15.797 22.347 20.123 1.00 1.24 ATOM 249 C ALA 16 -15.209 24.251 17.300 1.00 25.54 ATOM 250 O ALA 16 -14.265 25.010 17.535 1.00 1.44 ATOM 251 N ARG 17 -16.119 24.498 16.359 1.00 22.51 ATOM 252 HN ARG 17 -16.847 23.856 16.229 1.00 38.28 ATOM 253 CA ARG 17 -16.068 25.697 15.510 1.00 34.13 ATOM 254 HA ARG 17 -15.062 26.092 15.547 1.00 2.15 ATOM 255 CB ARG 17 -16.398 25.318 14.054 1.00 64.32 ATOM 256 HB1 ARG 17 -17.390 24.885 14.023 1.00 38.28 ATOM 257 HB2 ARG 17 -15.685 24.579 13.717 1.00 33.34 ATOM 258 CG ARG 17 -16.360 26.497 13.085 1.00 54.25 ATOM 259 HG1 ARG 17 -15.340 26.849 13.004 1.00 38.28 ATOM 260 HG2 ARG 17 -16.980 27.289 13.479 1.00 51.21 ATOM 261 CD ARG 17 -16.866 26.128 11.696 1.00 60.33 ATOM 262 HD1 ARG 17 -17.850 25.687 11.788 1.00 38.28 ATOM 263 HD2 ARG 17 -16.190 25.408 11.255 1.00 55.04 ATOM 264 NE ARG 17 -16.945 27.302 10.830 1.00 34.24 ATOM 265 HE ARG 17 -16.327 28.035 11.010 1.00 71.20 ATOM 266 CZ ARG 17 -17.794 27.444 9.850 1.00 74.22 ATOM 267 NH1 ARG 17 -18.619 26.498 9.543 1.00 71.13 ATOM 268 HH11 ARG 17 -18.618 25.649 10.054 1.00 12.22 ATOM 269 HH12 ARG 17 -19.260 26.631 8.782 1.00 60.21 ATOM 270 NH2 ARG 17 -17.815 28.538 9.168 1.00 4.44 ATOM 271 HH21 ARG 17 -17.187 29.275 9.389 1.00 55.35 ATOM 272 HH22 ARG 17 -18.468 28.639 8.415 1.00 13.45 ATOM 273 C ARG 17 -17.043 26.785 16.007 1.00 61.14 ATOM 274 O ARG 17 -17.982 26.500 16.756 1.00 5.24 ATOM 275 N GLY 18 -16.809 28.030 15.590 1.00 32.42 ATOM 276 HN GLY 18 -16.014 28.210 15.042 1.00 38.28 ATOM 277 CA GLY 18 -17.703 29.130 15.939 1.00 74.32 ATOM 278 HA1 GLY 18 -17.306 30.044 15.519 1.00 38.28 ATOM 279 HA2 GLY 18 -17.729 29.228 17.014 1.00 14.11 ATOM 280 C GLY 18 -19.132 28.936 15.428 1.00 71.31 ATOM 281 O GLY 18 -19.392 28.097 14.561 1.00 13.15 ATOM 282 N GLU 19 -20.058 29.722 15.962 1.00 24.42 ATOM 283 HN GLU 19 -19.779 30.413 16.600 1.00 38.28 ATOM 284 CA GLU 19 -21.482 29.594 15.634 1.00 43.44 ATOM 285 HA GLU 19 -21.706 28.543 15.515 1.00 73.01 ATOM 286 CB GLU 19 -22.314 30.150 16.795 1.00 60.21 ATOM 287 HB1 GLU 19 -23.363 30.029 16.563 1.00 38.28 ATOM 288 HB2 GLU 19 -22.099 31.204 16.904 1.00 21.20 ATOM 289 CG GLU 19 -22.036 29.459 18.129 1.00 3.21 ATOM 290 HG1 GLU 19 -20.982 29.220 18.189 1.00 38.28 ATOM 291 HG2 GLU 19 -22.610 28.543 18.170 1.00 21.31 ATOM 292 CD GLU 19 -22.411 30.320 19.323 1.00 30.41 ATOM 293 OE1 GLU 19 -23.603 30.347 19.694 1.00 12.51 ATOM 294 OE2 GLU 19 -21.513 30.985 19.885 1.00 52.40 ATOM 295 C GLU 19 -21.835 30.333 14.330 1.00 10.33 ATOM 296 O GLU 19 -21.709 31.555 14.241 1.00 73.41 ATOM 297 N ALA 20 -22.277 29.585 13.322 1.00 21.01 ATOM 298 HN ALA 20 -22.322 28.612 13.436 1.00 38.28 ATOM 299 CA ALA 20 -22.690 30.167 12.042 1.00 2.34 ATOM 300 HA ALA 20 -22.907 31.218 12.203 1.00 21.24 ATOM 301 CB ALA 20 -21.554 30.069 11.029 1.00 23.20 ATOM 302 HB1 ALA 20 -21.853 30.539 10.103 1.00 44.23 ATOM 303 HB2 ALA 20 -21.323 29.029 10.846 1.00 64.33 ATOM 304 HB3 ALA 20 -20.680 30.567 11.420 1.00 42.22 ATOM 305 C ALA 20 -23.953 29.477 11.504 1.00 12.03 ATOM 306 O ALA 20 -23.907 28.324 11.070 1.00 51.34 ATOM 307 N GLY 21 -25.082 30.187 11.541 1.00 14.31 ATOM 308 HN GLY 21 -25.052 31.114 11.866 1.00 38.28 ATOM 309 CA GLY 21 -26.354 29.615 11.101 1.00 1.41 ATOM 310 HA1 GLY 21 -27.122 29.911 11.800 1.00 38.28 ATOM 311 HA2 GLY 21 -26.279 28.536 11.108 1.00 41.11 ATOM 312 C GLY 21 -26.767 30.068 9.703 1.00 12.14 ATOM 313 O GLY 21 -27.957 30.219 9.415 1.00 52.15 ATOM 314 N SER 22 -25.788 30.283 8.833 1.00 1.33 ATOM 315 HN SER 22 -24.863 30.136 9.117 1.00 38.28 ATOM 316 CA SER 22 -26.051 30.736 7.459 1.00 64.20 ATOM 317 HA SER 22 -26.888 31.420 7.491 1.00 41.01 ATOM 318 CB SER 22 -24.831 31.478 6.893 1.00 62.01 ATOM 319 HB1 SER 22 -25.021 31.751 5.865 1.00 38.28 ATOM 320 HB2 SER 22 -23.967 30.831 6.937 1.00 44.12 ATOM 321 OG SER 22 -24.550 32.656 7.633 1.00 5.12 ATOM 322 HG SER 22 -24.527 33.411 7.030 1.00 23.01 ATOM 323 C SER 22 -26.408 29.567 6.530 1.00 52.23 ATOM 324 O SER 22 -25.893 28.457 6.684 1.00 4.31 ATOM 325 N ARG 23 -27.288 29.836 5.563 1.00 75.22 ATOM 326 HN ARG 23 -27.683 30.736 5.526 1.00 38.28 ATOM 327 CA ARG 23 -27.707 28.838 4.564 1.00 12.54 ATOM 328 HA ARG 23 -28.352 28.127 5.060 1.00 45.53 ATOM 329 CB ARG 23 -28.505 29.536 3.450 1.00 12.21 ATOM 330 HB1 ARG 23 -28.709 28.819 2.667 1.00 38.28 ATOM 331 HB2 ARG 23 -27.905 30.339 3.042 1.00 74.14 ATOM 332 CG ARG 23 -29.836 30.118 3.924 1.00 42.32 ATOM 333 HG1 ARG 23 -29.682 30.617 4.871 1.00 38.28 ATOM 334 HG2 ARG 23 -30.543 29.311 4.058 1.00 21.31 ATOM 335 CD ARG 23 -30.419 31.119 2.927 1.00 1.41 ATOM 336 HD1 ARG 23 -29.775 31.988 2.893 1.00 38.28 ATOM 337 HD2 ARG 23 -31.399 31.418 3.271 1.00 52.44 ATOM 338 NE ARG 23 -30.534 30.563 1.579 1.00 71.30 ATOM 339 HE ARG 23 -29.795 30.014 1.252 1.00 75.12 ATOM 340 CZ ARG 23 -31.539 30.783 0.774 1.00 11.14 ATOM 341 NH1 ARG 23 -32.544 31.502 1.157 1.00 62.33 ATOM 342 HH11 ARG 23 -32.555 31.895 2.075 1.00 13.22 ATOM 343 HH12 ARG 23 -33.304 31.666 0.534 1.00 51.21 ATOM 344 NH2 ARG 23 -31.532 30.280 -0.419 1.00 53.23 ATOM 345 HH21 ARG 23 -30.758 29.726 -0.722 1.00 71.41 ATOM 346 HH22 ARG 23 -32.300 30.445 -1.035 1.00 41.32 ATOM 347 C ARG 23 -26.508 28.080 3.958 1.00 50.43 ATOM 348 O ARG 23 -26.480 26.847 3.946 1.00 52.53 ATOM 349 N ASP 24 -25.527 28.827 3.463 1.00 64.24 ATOM 350 HN ASP 24 -25.623 29.803 3.473 1.00 38.28 ATOM 351 CA ASP 24 -24.314 28.244 2.881 1.00 35.11 ATOM 352 HA ASP 24 -24.612 27.617 2.052 1.00 41.34 ATOM 353 CB ASP 24 -23.413 29.366 2.357 1.00 23.51 ATOM 354 HB1 ASP 24 -22.565 28.933 1.842 1.00 38.28 ATOM 355 HB2 ASP 24 -23.058 29.955 3.193 1.00 11.44 ATOM 356 CG ASP 24 -24.150 30.286 1.399 1.00 14.33 ATOM 357 OD1 ASP 24 -23.977 30.148 0.173 1.00 64.05 ATOM 358 OD2 ASP 24 -24.934 31.135 1.875 1.00 72.22 ATOM 359 C ASP 24 -23.549 27.382 3.908 1.00 50.23 ATOM 360 O ASP 24 -23.080 26.284 3.593 1.00 31.32 ATOM 361 N GLU 25 -23.438 27.884 5.139 1.00 0.04 ATOM 362 HN GLU 25 -23.832 28.759 5.329 1.00 38.28 ATOM 363 CA GLU 25 -22.739 27.169 6.218 1.00 41.33 ATOM 364 HA GLU 25 -21.711 27.038 5.907 1.00 43.42 ATOM 365 CB GLU 25 -22.757 28.004 7.508 1.00 65.24 ATOM 366 HB1 GLU 25 -22.409 27.390 8.328 1.00 38.28 ATOM 367 HB2 GLU 25 -23.775 28.307 7.709 1.00 71.03 ATOM 368 CG GLU 25 -21.889 29.261 7.451 1.00 4.43 ATOM 369 HG1 GLU 25 -22.063 29.842 8.346 1.00 38.28 ATOM 370 HG2 GLU 25 -22.181 29.841 6.588 1.00 14.43 ATOM 371 CD GLU 25 -20.396 28.965 7.350 1.00 42.10 ATOM 372 OE1 GLU 25 -19.623 29.881 6.996 1.00 75.34 ATOM 373 OE2 GLU 25 -19.983 27.823 7.629 1.00 2.42 ATOM 374 C GLU 25 -23.345 25.781 6.480 1.00 44.24 ATOM 375 O GLU 25 -22.621 24.825 6.762 1.00 4.04 ATOM 376 N ARG 26 -24.668 25.673 6.369 1.00 24.31 ATOM 377 HN ARG 26 -25.192 26.473 6.148 1.00 38.28 ATOM 378 CA ARG 26 -25.360 24.391 6.571 1.00 75.01 ATOM 379 HA ARG 26 -25.131 24.052 7.570 1.00 52.32 ATOM 380 CB ARG 26 -26.881 24.570 6.444 1.00 25.20 ATOM 381 HB1 ARG 26 -27.363 23.631 6.676 1.00 38.28 ATOM 382 HB2 ARG 26 -27.115 24.842 5.424 1.00 74.22 ATOM 383 CG ARG 26 -27.456 25.643 7.366 1.00 30.31 ATOM 384 HG1 ARG 26 -27.079 26.608 7.055 1.00 38.28 ATOM 385 HG2 ARG 26 -27.137 25.443 8.379 1.00 21.34 ATOM 386 CD ARG 26 -28.983 25.671 7.323 1.00 42.52 ATOM 387 HD1 ARG 26 -29.329 26.527 7.885 1.00 38.28 ATOM 388 HD2 ARG 26 -29.360 24.768 7.781 1.00 11.52 ATOM 389 NE ARG 26 -29.499 25.757 5.956 1.00 3.12 ATOM 390 HE ARG 26 -29.092 25.176 5.283 1.00 34.41 ATOM 391 CZ ARG 26 -30.487 26.525 5.586 1.00 42.42 ATOM 392 NH1 ARG 26 -31.022 27.364 6.411 1.00 22.21 ATOM 393 HH11 ARG 26 -30.678 27.438 7.345 1.00 53.11 ATOM 394 HH12 ARG 26 -31.785 27.932 6.111 1.00 13.13 ATOM 395 NH2 ARG 26 -30.918 26.470 4.372 1.00 52.44 ATOM 396 HH21 ARG 26 -30.493 25.838 3.723 1.00 33.13 ATOM 397 HH22 ARG 26 -31.675 27.052 4.085 1.00 33.15 ATOM 398 C ARG 26 -24.866 23.331 5.569 1.00 51.43 ATOM 399 O ARG 26 -24.877 22.132 5.854 1.00 55.54 ATOM 400 N ARG 27 -24.434 23.788 4.395 1.00 42.41 ATOM 401 HN ARG 27 -24.505 24.748 4.207 1.00 38.28 ATOM 402 CA ARG 27 -23.849 22.906 3.379 1.00 11.21 ATOM 403 HA ARG 27 -24.423 21.990 3.352 1.00 23.14 ATOM 404 CB ARG 27 -23.906 23.581 2.001 1.00 65.44 ATOM 405 HB1 ARG 27 -23.495 22.904 1.265 1.00 38.28 ATOM 406 HB2 ARG 27 -23.298 24.476 2.030 1.00 14.40 ATOM 407 CG ARG 27 -25.313 23.976 1.560 1.00 22.15 ATOM 408 HG1 ARG 27 -25.239 24.568 0.659 1.00 38.28 ATOM 409 HG2 ARG 27 -25.772 24.568 2.340 1.00 15.35 ATOM 410 CD ARG 27 -26.195 22.761 1.282 1.00 45.34 ATOM 411 HD1 ARG 27 -27.209 23.100 1.109 1.00 38.28 ATOM 412 HD2 ARG 27 -26.182 22.112 2.146 1.00 64.22 ATOM 413 NE ARG 27 -25.741 22.004 0.116 1.00 2.22 ATOM 414 HE ARG 27 -24.864 21.572 0.168 1.00 51.41 ATOM 415 CZ ARG 27 -26.432 21.869 -0.983 1.00 64.10 ATOM 416 NH1 ARG 27 -27.610 22.397 -1.089 1.00 61.30 ATOM 417 HH11 ARG 27 -27.996 22.911 -0.329 1.00 1.45 ATOM 418 HH12 ARG 27 -28.128 22.284 -1.935 1.00 14.43 ATOM 419 NH2 ARG 27 -25.958 21.192 -1.973 1.00 52.20 ATOM 420 HH21 ARG 27 -25.059 20.765 -1.904 1.00 12.11 ATOM 421 HH22 ARG 27 -26.493 21.102 -2.810 1.00 13.30 ATOM 422 C ARG 27 -22.391 22.574 3.730 1.00 51.11 ATOM 423 O ARG 27 -21.947 21.429 3.607 1.00 31.24 ATOM 424 N ALA 28 -21.658 23.593 4.177 1.00 54.04 ATOM 425 HN ALA 28 -22.077 24.477 4.253 1.00 38.28 ATOM 426 CA ALA 28 -20.249 23.446 4.555 1.00 63.14 ATOM 427 HA ALA 28 -19.694 23.164 3.670 1.00 44.30 ATOM 428 CB ALA 28 -19.704 24.783 5.046 1.00 3.41 ATOM 429 HB1 ALA 28 -20.225 25.074 5.949 1.00 20.41 ATOM 430 HB2 ALA 28 -19.856 25.535 4.286 1.00 73.44 ATOM 431 HB3 ALA 28 -18.648 24.690 5.254 1.00 31.42 ATOM 432 C ALA 28 -20.052 22.365 5.630 1.00 22.34 ATOM 433 O ALA 28 -19.275 21.425 5.449 1.00 2.23 ATOM 434 N LEU 29 -20.763 22.501 6.747 1.00 34.33 ATOM 435 HN LEU 29 -21.371 23.270 6.836 1.00 38.28 ATOM 436 CA LEU 29 -20.656 21.543 7.855 1.00 23.33 ATOM 437 HA LEU 29 -19.607 21.462 8.102 1.00 23.45 ATOM 438 CB LEU 29 -21.405 22.078 9.094 1.00 54.13 ATOM 439 HB1 LEU 29 -20.881 22.959 9.438 1.00 38.28 ATOM 440 HB2 LEU 29 -21.348 21.329 9.872 1.00 63.22 ATOM 441 CG LEU 29 -22.889 22.455 8.893 1.00 71.54 ATOM 442 HG LEU 29 -23.004 22.887 7.911 1.00 23.01 ATOM 443 CD1 LEU 29 -23.801 21.229 8.963 1.00 23.43 ATOM 444 HD11 LEU 29 -24.830 21.538 8.849 1.00 30.44 ATOM 445 HD12 LEU 29 -23.678 20.737 9.917 1.00 63.54 ATOM 446 HD13 LEU 29 -23.544 20.542 8.169 1.00 61.24 ATOM 447 CD2 LEU 29 -23.318 23.511 9.911 1.00 11.32 ATOM 448 HD21 LEU 29 -24.363 23.744 9.768 1.00 62.52 ATOM 449 HD22 LEU 29 -22.729 24.407 9.770 1.00 70.21 ATOM 450 HD23 LEU 29 -23.167 23.134 10.912 1.00 42.54 ATOM 451 C LEU 29 -21.155 20.141 7.455 1.00 64.13 ATOM 452 O LEU 29 -20.751 19.139 8.046 1.00 53.12 ATOM 453 N ALA 30 -22.017 20.076 6.438 1.00 43.44 ATOM 454 HN ALA 30 -22.307 20.908 6.011 1.00 38.28 ATOM 455 CA ALA 30 -22.543 18.796 5.944 1.00 51.24 ATOM 456 HA ALA 30 -22.875 18.222 6.799 1.00 4.53 ATOM 457 CB ALA 30 -23.748 19.042 5.039 1.00 71.22 ATOM 458 HB1 ALA 30 -24.498 19.604 5.579 1.00 20.01 ATOM 459 HB2 ALA 30 -24.167 18.095 4.728 1.00 52.43 ATOM 460 HB3 ALA 30 -23.440 19.602 4.167 1.00 35.21 ATOM 461 C ALA 30 -21.463 17.995 5.194 1.00 73.15 ATOM 462 O ALA 30 -21.246 16.813 5.469 1.00 32.21 ATOM 463 N MET 31 -20.776 18.654 4.261 1.00 12.02 ATOM 464 HN MET 31 -20.993 19.596 4.092 1.00 38.28 ATOM 465 CA MET 31 -19.706 18.014 3.477 1.00 53.35 ATOM 466 HA MET 31 -19.976 16.977 3.333 1.00 73.04 ATOM 467 CB MET 31 -19.587 18.688 2.102 1.00 75.31 ATOM 468 HB1 MET 31 -18.726 18.282 1.589 1.00 38.28 ATOM 469 HB2 MET 31 -19.438 19.750 2.243 1.00 31.30 ATOM 470 CG MET 31 -20.807 18.492 1.208 1.00 22.31 ATOM 471 HG1 MET 31 -20.675 19.077 0.308 1.00 38.28 ATOM 472 HG2 MET 31 -21.686 18.837 1.733 1.00 74.42 ATOM 473 SD MET 31 -21.059 16.769 0.741 1.00 43.21 ATOM 474 CE MET 31 -19.527 16.413 -0.131 1.00 73.51 ATOM 475 HE1 MET 31 -19.528 15.383 -0.461 1.00 62.01 ATOM 476 HE2 MET 31 -18.687 16.572 0.529 1.00 13.25 ATOM 477 HE3 MET 31 -19.441 17.065 -0.989 1.00 4.43 ATOM 478 C MET 31 -18.351 18.068 4.208 1.00 24.21 ATOM 479 O MET 31 -17.321 17.688 3.650 1.00 1.55 ATOM 480 N LYS 32 -18.373 18.537 5.458 1.00 1.33 ATOM 481 HN LYS 32 -19.232 18.805 5.841 1.00 38.28 ATOM 482 CA LYS 32 -17.165 18.676 6.287 1.00 71.13 ATOM 483 HA LYS 32 -17.488 19.045 7.252 1.00 3.42 ATOM 484 CB LYS 32 -16.473 17.315 6.501 1.00 54.23 ATOM 485 HB1 LYS 32 -15.583 17.467 7.097 1.00 38.28 ATOM 486 HB2 LYS 32 -16.183 16.917 5.537 1.00 53.21 ATOM 487 CG LYS 32 -17.348 16.276 7.203 1.00 73.24 ATOM 488 HG1 LYS 32 -18.189 16.038 6.566 1.00 38.28 ATOM 489 HG2 LYS 32 -17.708 16.690 8.134 1.00 4.02 ATOM 490 CD LYS 32 -16.572 14.992 7.501 1.00 42.30 ATOM 491 HD1 LYS 32 -16.212 14.576 6.570 1.00 38.28 ATOM 492 HD2 LYS 32 -17.235 14.285 7.978 1.00 13.32 ATOM 493 CE LYS 32 -15.384 15.254 8.421 1.00 12.10 ATOM 494 HE1 LYS 32 -15.747 15.691 9.342 1.00 38.28 ATOM 495 HE2 LYS 32 -14.715 15.950 7.935 1.00 60.42 ATOM 496 NZ LYS 32 -14.629 14.013 8.743 1.00 25.11 ATOM 497 HZ1 LYS 32 -14.294 13.556 7.868 1.00 72.42 ATOM 498 HZ2 LYS 32 -15.233 13.345 9.263 1.00 43.33 ATOM 499 HZ3 LYS 32 -13.807 14.242 9.334 1.00 35.04 ATOM 500 C LYS 32 -16.173 19.696 5.695 1.00 60.04 ATOM 501 O LYS 32 -15.131 19.327 5.149 1.00 72.31 ATOM 502 N ILE 33 -16.520 20.980 5.780 1.00 32.40 ATOM 503 HN ILE 33 -17.400 21.210 6.142 1.00 38.28 ATOM 504 CA ILE 33 -15.632 22.060 5.334 1.00 0.15 ATOM 505 HA ILE 33 -14.811 21.617 4.785 1.00 73.45 ATOM 506 CB ILE 33 -16.374 23.043 4.392 1.00 41.42 ATOM 507 HB ILE 33 -17.185 23.489 4.949 1.00 71.53 ATOM 508 CG1 ILE 33 -16.956 22.296 3.175 1.00 41.21 ATOM 509 HG11 ILE 33 -17.457 23.009 2.533 1.00 38.28 ATOM 510 HG12 ILE 33 -17.675 21.568 3.518 1.00 53.44 ATOM 511 CG2 ILE 33 -15.445 24.168 3.940 1.00 53.11 ATOM 512 HG21 ILE 33 -15.102 24.724 4.801 1.00 41.44 ATOM 513 HG22 ILE 33 -15.979 24.830 3.275 1.00 24.32 ATOM 514 HG23 ILE 33 -14.593 23.749 3.422 1.00 10.43 ATOM 515 CD1 ILE 33 -15.925 21.563 2.338 1.00 34.20 ATOM 516 HD11 ILE 33 -16.420 21.057 1.522 1.00 12.51 ATOM 517 HD12 ILE 33 -15.413 20.838 2.952 1.00 14.12 ATOM 518 HD13 ILE 33 -15.208 22.269 1.942 1.00 4.04 ATOM 519 C ILE 33 -15.068 22.833 6.543 1.00 63.34 ATOM 520 O ILE 33 -15.820 23.451 7.297 1.00 44.42 ATOM 521 N PRO 34 -13.734 22.796 6.752 1.00 1.43 ATOM 522 CA PRO 34 -13.089 23.428 7.924 1.00 21.34 ATOM 523 HA PRO 34 -13.576 23.130 8.843 1.00 41.33 ATOM 524 CB PRO 34 -11.670 22.841 7.890 1.00 35.30 ATOM 525 HB1 PRO 34 -11.633 21.943 8.492 1.00 38.28 ATOM 526 HB2 PRO 34 -10.960 23.563 8.273 1.00 64.22 ATOM 527 CG PRO 34 -11.421 22.538 6.449 1.00 50.43 ATOM 528 HG1 PRO 34 -10.704 21.733 6.358 1.00 38.28 ATOM 529 HG2 PRO 34 -11.056 23.422 5.945 1.00 14.03 ATOM 530 CD PRO 34 -12.752 22.119 5.879 1.00 12.04 ATOM 531 HD1 PRO 34 -12.867 21.046 5.937 1.00 38.28 ATOM 532 HD2 PRO 34 -12.848 22.455 4.857 1.00 73.32 ATOM 533 C PRO 34 -13.041 24.967 7.862 1.00 15.24 ATOM 534 O PRO 34 -12.953 25.634 8.896 1.00 64.24 ATOM 535 N PHE 35 -13.090 25.529 6.657 1.00 74.20 ATOM 536 HN PHE 35 -13.199 24.958 5.870 1.00 38.28 ATOM 537 CA PHE 35 -13.011 26.986 6.477 1.00 1.04 ATOM 538 HA PHE 35 -12.647 27.401 7.407 1.00 24.00 ATOM 539 CB PHE 35 -12.004 27.338 5.366 1.00 73.15 ATOM 540 HB1 PHE 35 -11.002 27.225 5.757 1.00 38.28 ATOM 541 HB2 PHE 35 -12.149 28.368 5.072 1.00 73.14 ATOM 542 CG PHE 35 -12.118 26.486 4.125 1.00 64.35 ATOM 543 CD1 PHE 35 -11.298 25.380 3.952 1.00 4.53 ATOM 544 HD1 PHE 35 -10.579 25.128 4.720 1.00 11.45 ATOM 545 CD2 PHE 35 -13.035 26.794 3.128 1.00 3.04 ATOM 546 HD2 PHE 35 -13.682 27.651 3.247 1.00 32.35 ATOM 547 CE1 PHE 35 -11.392 24.599 2.817 1.00 13.25 ATOM 548 HE1 PHE 35 -10.746 23.741 2.697 1.00 2.35 ATOM 549 CE2 PHE 35 -13.131 26.013 1.991 1.00 72.30 ATOM 550 HE2 PHE 35 -13.849 26.263 1.223 1.00 45.51 ATOM 551 CZ PHE 35 -12.309 24.918 1.834 1.00 45.15 ATOM 552 HZ PHE 35 -12.386 24.308 0.945 1.00 24.02 ATOM 553 C PHE 35 -14.393 27.605 6.188 1.00 52.24 ATOM 554 O PHE 35 -15.203 27.029 5.462 1.00 32.51 ATOM 555 N PRO 36 -14.673 28.798 6.758 1.00 31.03 ATOM 556 CA PRO 36 -15.994 29.453 6.643 1.00 10.32 ATOM 557 HA PRO 36 -16.775 28.817 7.036 1.00 72.05 ATOM 558 CB PRO 36 -15.853 30.692 7.541 1.00 11.42 ATOM 559 HB1 PRO 36 -16.254 30.478 8.521 1.00 38.28 ATOM 560 HB2 PRO 36 -16.388 31.526 7.105 1.00 63.33 ATOM 561 CG PRO 36 -14.386 30.955 7.603 1.00 11.24 ATOM 562 HG1 PRO 36 -14.140 31.466 8.523 1.00 38.28 ATOM 563 HG2 PRO 36 -14.080 31.546 6.751 1.00 4.00 ATOM 564 CD PRO 36 -13.732 29.601 7.565 1.00 23.30 ATOM 565 HD1 PRO 36 -13.639 29.197 8.563 1.00 38.28 ATOM 566 HD2 PRO 36 -12.763 29.661 7.088 1.00 50.34 ATOM 567 C PRO 36 -16.366 29.865 5.206 1.00 63.31 ATOM 568 O PRO 36 -15.516 30.309 4.428 1.00 30.11 ATOM 569 N THR 37 -17.656 29.747 4.877 1.00 61.22 ATOM 570 HN THR 37 -18.288 29.411 5.552 1.00 38.28 ATOM 571 CA THR 37 -18.162 30.101 3.540 1.00 22.41 ATOM 572 HA THR 37 -17.663 29.465 2.821 1.00 43.03 ATOM 573 CB THR 37 -19.686 29.861 3.421 1.00 64.51 ATOM 574 HB THR 37 -19.993 30.090 2.410 1.00 12.24 ATOM 575 OG1 THR 37 -20.397 30.717 4.329 1.00 2.23 ATOM 576 HG1 THR 37 -20.221 30.441 5.239 1.00 72.24 ATOM 577 CG2 THR 37 -20.035 28.404 3.715 1.00 32.13 ATOM 578 HG21 THR 37 -21.103 28.264 3.626 1.00 1.32 ATOM 579 HG22 THR 37 -19.722 28.152 4.718 1.00 23.22 ATOM 580 HG23 THR 37 -19.529 27.762 3.008 1.00 21.44 ATOM 581 C THR 37 -17.864 31.565 3.190 1.00 44.53 ATOM 582 O THR 37 -17.500 31.883 2.057 1.00 40.22 ATOM 583 N ASP 38 -18.012 32.450 4.172 1.00 21.33 ATOM 584 HN ASP 38 -18.379 32.147 5.032 1.00 38.28 ATOM 585 CA ASP 38 -17.676 33.867 4.003 1.00 23.03 ATOM 586 HA ASP 38 -18.372 34.289 3.290 1.00 4.44 ATOM 587 CB ASP 38 -17.830 34.598 5.337 1.00 72.04 ATOM 588 HB1 ASP 38 -17.492 35.619 5.225 1.00 38.28 ATOM 589 HB2 ASP 38 -17.225 34.104 6.085 1.00 74.14 ATOM 590 CG ASP 38 -19.270 34.611 5.813 1.00 72.23 ATOM 591 OD1 ASP 38 -19.771 33.555 6.246 1.00 35.12 ATOM 592 OD2 ASP 38 -19.906 35.683 5.758 1.00 51.42 ATOM 593 C ASP 38 -16.247 34.045 3.465 1.00 60.05 ATOM 594 O ASP 38 -16.019 34.796 2.517 1.00 33.21 ATOM 595 N LYS 39 -15.288 33.343 4.068 1.00 11.50 ATOM 596 HN LYS 39 -15.522 32.774 4.830 1.00 38.28 ATOM 597 CA LYS 39 -13.895 33.398 3.611 1.00 21.02 ATOM 598 HA LYS 39 -13.578 34.430 3.660 1.00 10.20 ATOM 599 CB LYS 39 -12.994 32.558 4.528 1.00 40.12 ATOM 600 HB1 LYS 39 -13.352 31.538 4.526 1.00 38.28 ATOM 601 HB2 LYS 39 -13.061 32.950 5.533 1.00 53.13 ATOM 602 CG LYS 39 -11.522 32.552 4.112 1.00 71.25 ATOM 603 HG1 LYS 39 -11.173 33.574 4.047 1.00 38.28 ATOM 604 HG2 LYS 39 -11.438 32.083 3.143 1.00 15.41 ATOM 605 CD LYS 39 -10.640 31.788 5.101 1.00 73.53 ATOM 606 HD1 LYS 39 -9.625 31.781 4.728 1.00 38.28 ATOM 607 HD2 LYS 39 -10.999 30.771 5.178 1.00 30.32 ATOM 608 CE LYS 39 -10.652 32.423 6.489 1.00 45.44 ATOM 609 HE1 LYS 39 -11.642 32.323 6.910 1.00 38.28 ATOM 610 HE2 LYS 39 -10.406 33.471 6.397 1.00 3.33 ATOM 611 NZ LYS 39 -9.672 31.779 7.405 1.00 63.23 ATOM 612 HZ1 LYS 39 -9.824 30.751 7.437 1.00 11.03 ATOM 613 HZ2 LYS 39 -9.774 32.161 8.366 1.00 73.53 ATOM 614 HZ3 LYS 39 -8.702 31.963 7.077 1.00 20.45 ATOM 615 C LYS 39 -13.776 32.916 2.155 1.00 42.41 ATOM 616 O LYS 39 -13.094 33.537 1.343 1.00 30.23 ATOM 617 N ILE 40 -14.468 31.820 1.836 1.00 12.21 ATOM 618 HN ILE 40 -14.979 31.363 2.539 1.00 38.28 ATOM 619 CA ILE 40 -14.495 31.274 0.469 1.00 51.42 ATOM 620 HA ILE 40 -13.508 30.898 0.238 1.00 52.32 ATOM 621 CB ILE 40 -15.508 30.101 0.362 1.00 54.42 ATOM 622 HB ILE 40 -16.494 30.490 0.578 1.00 52.25 ATOM 623 CG1 ILE 40 -15.176 29.002 1.384 1.00 24.42 ATOM 624 HG11 ILE 40 -15.172 29.431 2.376 1.00 38.28 ATOM 625 HG12 ILE 40 -14.197 28.601 1.168 1.00 13.44 ATOM 626 CG2 ILE 40 -15.533 29.525 -1.055 1.00 1.54 ATOM 627 HG21 ILE 40 -16.258 28.727 -1.109 1.00 74.12 ATOM 628 HG22 ILE 40 -14.555 29.139 -1.306 1.00 73.13 ATOM 629 HG23 ILE 40 -15.802 30.302 -1.756 1.00 73.32 ATOM 630 CD1 ILE 40 -16.159 27.846 1.384 1.00 10.32 ATOM 631 HD11 ILE 40 -16.174 27.385 0.407 1.00 62.23 ATOM 632 HD12 ILE 40 -17.146 28.211 1.624 1.00 24.45 ATOM 633 HD13 ILE 40 -15.856 27.117 2.121 1.00 74.15 ATOM 634 C ILE 40 -14.879 32.352 -0.560 1.00 73.15 ATOM 635 O ILE 40 -14.359 32.384 -1.678 1.00 65.11 ATOM 636 N VAL 41 -15.799 33.231 -0.169 1.00 41.35 ATOM 637 HN VAL 41 -16.191 33.140 0.727 1.00 38.28 ATOM 638 CA VAL 41 -16.259 34.315 -1.040 1.00 4.42 ATOM 639 HA VAL 41 -16.331 33.925 -2.047 1.00 5.13 ATOM 640 CB VAL 41 -17.663 34.808 -0.614 1.00 21.23 ATOM 641 HB VAL 41 -17.587 35.221 0.385 1.00 33.13 ATOM 642 CG1 VAL 41 -18.157 35.911 -1.546 1.00 54.31 ATOM 643 HG11 VAL 41 -18.192 35.538 -2.561 1.00 32.13 ATOM 644 HG12 VAL 41 -17.485 36.754 -1.496 1.00 53.50 ATOM 645 HG13 VAL 41 -19.147 36.223 -1.245 1.00 70.33 ATOM 646 CG2 VAL 41 -18.650 33.643 -0.571 1.00 24.44 ATOM 647 HG21 VAL 41 -19.628 34.010 -0.292 1.00 13.33 ATOM 648 HG22 VAL 41 -18.320 32.918 0.158 1.00 51.10 ATOM 649 HG23 VAL 41 -18.705 33.177 -1.544 1.00 4.13 ATOM 650 C VAL 41 -15.287 35.510 -1.043 1.00 3.13 ATOM 651 O VAL 41 -14.954 36.051 -2.099 1.00 21.14 ATOM 652 N ASN 42 -14.829 35.917 0.142 1.00 22.32 ATOM 653 HN ASN 42 -15.079 35.413 0.947 1.00 38.28 ATOM 654 CA ASN 42 -13.954 37.095 0.275 1.00 3.02 ATOM 655 HA ASN 42 -14.387 37.883 -0.329 1.00 4.31 ATOM 656 CB ASN 42 -13.922 37.568 1.736 1.00 60.33 ATOM 657 HB1 ASN 42 -13.077 38.226 1.881 1.00 38.28 ATOM 658 HB2 ASN 42 -13.819 36.713 2.388 1.00 44.51 ATOM 659 CG ASN 42 -15.190 38.317 2.120 1.00 51.14 ATOM 660 OD1 ASN 42 -15.255 39.539 2.028 1.00 34.11 ATOM 661 ND2 ASN 42 -16.205 37.600 2.550 1.00 63.15 ATOM 662 HD21 ASN 42 -16.097 36.632 2.604 1.00 73.00 ATOM 663 HD22 ASN 42 -17.033 38.068 2.786 1.00 4.43 ATOM 664 C ASN 42 -12.526 36.834 -0.246 1.00 20.44 ATOM 665 O ASN 42 -11.697 37.747 -0.303 1.00 24.21 ATOM 666 N LEU 43 -12.234 35.589 -0.614 1.00 70.11 ATOM 667 HN LEU 43 -12.875 34.872 -0.423 1.00 38.28 ATOM 668 CA LEU 43 -10.971 35.263 -1.283 1.00 24.35 ATOM 669 HA LEU 43 -10.205 35.906 -0.872 1.00 74.32 ATOM 670 CB LEU 43 -10.582 33.797 -1.028 1.00 32.41 ATOM 671 HB1 LEU 43 -9.762 33.547 -1.687 1.00 38.28 ATOM 672 HB2 LEU 43 -11.427 33.176 -1.287 1.00 63.40 ATOM 673 CG LEU 43 -10.157 33.456 0.414 1.00 34.50 ATOM 674 HG LEU 43 -10.976 33.675 1.085 1.00 74.33 ATOM 675 CD1 LEU 43 -9.832 31.966 0.544 1.00 23.53 ATOM 676 HD11 LEU 43 -9.564 31.742 1.567 1.00 24.41 ATOM 677 HD12 LEU 43 -9.005 31.716 -0.106 1.00 2.23 ATOM 678 HD13 LEU 43 -10.697 31.382 0.263 1.00 0.34 ATOM 679 CD2 LEU 43 -8.960 34.306 0.840 1.00 74.32 ATOM 680 HD21 LEU 43 -8.678 34.052 1.852 1.00 65.30 ATOM 681 HD22 LEU 43 -9.227 35.352 0.796 1.00 15.11 ATOM 682 HD23 LEU 43 -8.128 34.119 0.177 1.00 34.54 ATOM 683 C LEU 43 -11.066 35.519 -2.800 1.00 13.51 ATOM 684 O LEU 43 -12.119 35.307 -3.413 1.00 5.32 ATOM 685 N PRO 44 -9.972 36.001 -3.423 1.00 31.31 ATOM 686 CA PRO 44 -9.905 36.154 -4.884 1.00 12.25 ATOM 687 HA PRO 44 -10.761 36.695 -5.263 1.00 52.51 ATOM 688 CB PRO 44 -8.632 36.986 -5.094 1.00 53.01 ATOM 689 HB1 PRO 44 -8.888 38.035 -5.140 1.00 38.28 ATOM 690 HB2 PRO 44 -8.146 36.691 -6.014 1.00 4.11 ATOM 691 CG PRO 44 -7.783 36.688 -3.904 1.00 10.23 ATOM 692 HG1 PRO 44 -7.134 37.526 -3.693 1.00 38.28 ATOM 693 HG2 PRO 44 -7.196 35.797 -4.084 1.00 3.33 ATOM 694 CD PRO 44 -8.735 36.464 -2.759 1.00 40.40 ATOM 695 HD1 PRO 44 -8.908 37.388 -2.224 1.00 38.28 ATOM 696 HD2 PRO 44 -8.349 35.707 -2.089 1.00 24.11 ATOM 697 C PRO 44 -9.802 34.798 -5.606 1.00 62.51 ATOM 698 O PRO 44 -9.539 33.769 -4.981 1.00 41.04 ATOM 699 N VAL 45 -9.989 34.806 -6.926 1.00 71.10 ATOM 700 HN VAL 45 -10.131 35.662 -7.380 1.00 38.28 ATOM 701 CA VAL 45 -9.993 33.569 -7.718 1.00 45.51 ATOM 702 HA VAL 45 -10.837 32.979 -7.385 1.00 33.13 ATOM 703 CB VAL 45 -10.196 33.875 -9.227 1.00 74.22 ATOM 704 HB VAL 45 -11.148 34.377 -9.339 1.00 5.30 ATOM 705 CG1 VAL 45 -9.110 34.811 -9.751 1.00 30.15 ATOM 706 HG11 VAL 45 -9.145 35.745 -9.207 1.00 44.11 ATOM 707 HG12 VAL 45 -9.274 35.002 -10.801 1.00 73.22 ATOM 708 HG13 VAL 45 -8.140 34.352 -9.617 1.00 1.44 ATOM 709 CG2 VAL 45 -10.245 32.584 -10.044 1.00 44.11 ATOM 710 HG21 VAL 45 -11.051 31.959 -9.685 1.00 61.52 ATOM 711 HG22 VAL 45 -9.309 32.055 -9.943 1.00 52.23 ATOM 712 HG23 VAL 45 -10.412 32.822 -11.086 1.00 41.51 ATOM 713 C VAL 45 -8.710 32.734 -7.522 1.00 53.20 ATOM 714 O VAL 45 -8.772 31.509 -7.404 1.00 41.35 ATOM 715 N ASP 46 -7.553 33.393 -7.477 1.00 1.40 ATOM 716 HN ASP 46 -7.555 34.367 -7.572 1.00 38.28 ATOM 717 CA ASP 46 -6.276 32.689 -7.305 1.00 34.42 ATOM 718 HA ASP 46 -6.223 31.920 -8.064 1.00 43.10 ATOM 719 CB ASP 46 -5.108 33.663 -7.500 1.00 64.42 ATOM 720 HB1 ASP 46 -5.044 34.321 -6.642 1.00 38.28 ATOM 721 HB2 ASP 46 -5.288 34.256 -8.387 1.00 41.45 ATOM 722 CG ASP 46 -3.779 32.945 -7.661 1.00 11.12 ATOM 723 OD1 ASP 46 -3.350 32.741 -8.814 1.00 33.45 ATOM 724 OD2 ASP 46 -3.170 32.560 -6.641 1.00 63.24 ATOM 725 C ASP 46 -6.191 32.019 -5.921 1.00 2.33 ATOM 726 O ASP 46 -6.075 30.794 -5.816 1.00 1.11 ATOM 727 N ASP 47 -6.261 32.833 -4.868 1.00 22.21 ATOM 728 HN ASP 47 -6.313 33.800 -5.019 1.00 38.28 ATOM 729 CA ASP 47 -6.231 32.332 -3.487 1.00 74.21 ATOM 730 HA ASP 47 -5.264 31.874 -3.334 1.00 3.20 ATOM 731 CB ASP 47 -6.382 33.490 -2.499 1.00 1.23 ATOM 732 HB1 ASP 47 -6.541 33.091 -1.507 1.00 38.28 ATOM 733 HB2 ASP 47 -7.236 34.091 -2.781 1.00 0.23 ATOM 734 CG ASP 47 -5.153 34.380 -2.472 1.00 72.43 ATOM 735 OD1 ASP 47 -4.428 34.369 -1.453 1.00 62.22 ATOM 736 OD2 ASP 47 -4.895 35.076 -3.474 1.00 33.45 ATOM 737 C ASP 47 -7.312 31.271 -3.228 1.00 44.42 ATOM 738 O ASP 47 -7.149 30.410 -2.362 1.00 52.03 ATOM 739 N PHE 48 -8.414 31.344 -3.971 1.00 42.20 ATOM 740 HN PHE 48 -8.537 32.116 -4.562 1.00 38.28 ATOM 741 CA PHE 48 -9.456 30.317 -3.910 1.00 11.33 ATOM 742 HA PHE 48 -9.808 30.265 -2.888 1.00 2.54 ATOM 743 CB PHE 48 -10.630 30.702 -4.820 1.00 40.34 ATOM 744 HB1 PHE 48 -10.261 30.850 -5.826 1.00 38.28 ATOM 745 HB2 PHE 48 -11.066 31.626 -4.464 1.00 73.51 ATOM 746 CG PHE 48 -11.717 29.660 -4.867 1.00 33.54 ATOM 747 CD1 PHE 48 -11.957 28.937 -6.029 1.00 30.32 ATOM 748 HD1 PHE 48 -11.366 29.139 -6.912 1.00 71.04 ATOM 749 CD2 PHE 48 -12.484 29.388 -3.743 1.00 45.31 ATOM 750 HD2 PHE 48 -12.310 29.942 -2.832 1.00 43.12 ATOM 751 CE1 PHE 48 -12.936 27.967 -6.064 1.00 53.41 ATOM 752 HE1 PHE 48 -13.116 27.411 -6.974 1.00 11.42 ATOM 753 CE2 PHE 48 -13.466 28.420 -3.777 1.00 31.23 ATOM 754 HE2 PHE 48 -14.059 28.219 -2.896 1.00 63.32 ATOM 755 CZ PHE 48 -13.692 27.710 -4.936 1.00 71.52 ATOM 756 HZ PHE 48 -14.457 26.949 -4.961 1.00 41.23 ATOM 757 C PHE 48 -8.899 28.937 -4.312 1.00 55.31 ATOM 758 O PHE 48 -9.027 27.959 -3.569 1.00 22.23 ATOM 759 N ASN 49 -8.267 28.868 -5.486 1.00 53.54 ATOM 760 HN ASN 49 -8.220 29.672 -6.048 1.00 38.28 ATOM 761 CA ASN 49 -7.633 27.624 -5.951 1.00 73.42 ATOM 762 HA ASN 49 -8.385 26.846 -5.931 1.00 72.50 ATOM 763 CB ASN 49 -7.119 27.779 -7.388 1.00 64.42 ATOM 764 HB1 ASN 49 -6.547 26.902 -7.658 1.00 38.28 ATOM 765 HB2 ASN 49 -6.479 28.649 -7.443 1.00 21.54 ATOM 766 CG ASN 49 -8.243 27.947 -8.396 1.00 33.24 ATOM 767 OD1 ASN 49 -8.772 26.974 -8.929 1.00 40.41 ATOM 768 ND2 ASN 49 -8.611 29.178 -8.678 1.00 72.20 ATOM 769 HD21 ASN 49 -8.149 29.916 -8.230 1.00 34.32 ATOM 770 HD22 ASN 49 -9.332 29.303 -9.326 1.00 65.21 ATOM 771 C ASN 49 -6.482 27.209 -5.020 1.00 34.24 ATOM 772 O ASN 49 -6.193 26.021 -4.855 1.00 51.20 ATOM 773 N GLU 50 -5.820 28.196 -4.420 1.00 33.41 ATOM 774 HN GLU 50 -6.025 29.126 -4.666 1.00 38.28 ATOM 775 CA GLU 50 -4.787 27.932 -3.412 1.00 13.15 ATOM 776 HA GLU 50 -4.044 27.286 -3.860 1.00 74.42 ATOM 777 CB GLU 50 -4.112 29.241 -2.980 1.00 73.42 ATOM 778 HB1 GLU 50 -3.527 29.053 -2.089 1.00 38.28 ATOM 779 HB2 GLU 50 -4.880 29.966 -2.745 1.00 62.42 ATOM 780 CG GLU 50 -3.193 29.844 -4.036 1.00 43.35 ATOM 781 HG1 GLU 50 -2.828 30.796 -3.676 1.00 38.28 ATOM 782 HG2 GLU 50 -3.758 29.999 -4.944 1.00 15.43 ATOM 783 CD GLU 50 -2.001 28.951 -4.348 1.00 62.23 ATOM 784 OE1 GLU 50 -2.052 28.207 -5.350 1.00 30.35 ATOM 785 OE2 GLU 50 -1.010 28.985 -3.582 1.00 53.23 ATOM 786 C GLU 50 -5.378 27.225 -2.186 1.00 70.33 ATOM 787 O GLU 50 -4.860 26.204 -1.736 1.00 1.20 ATOM 788 N LEU 51 -6.470 27.774 -1.662 1.00 15.43 ATOM 789 HN LEU 51 -6.835 28.585 -2.077 1.00 38.28 ATOM 790 CA LEU 51 -7.149 27.212 -0.490 1.00 43.41 ATOM 791 HA LEU 51 -6.474 27.287 0.353 1.00 34.41 ATOM 792 CB LEU 51 -8.419 28.024 -0.190 1.00 62.32 ATOM 793 HB1 LEU 51 -9.098 27.908 -1.024 1.00 38.28 ATOM 794 HB2 LEU 51 -8.144 29.068 -0.119 1.00 32.54 ATOM 795 CG LEU 51 -9.172 27.639 1.095 1.00 64.43 ATOM 796 HG LEU 51 -9.378 26.577 1.076 1.00 51.42 ATOM 797 CD1 LEU 51 -8.323 27.924 2.333 1.00 74.14 ATOM 798 HD11 LEU 51 -7.419 27.334 2.294 1.00 55.14 ATOM 799 HD12 LEU 51 -8.882 27.664 3.221 1.00 12.34 ATOM 800 HD13 LEU 51 -8.066 28.973 2.364 1.00 4.13 ATOM 801 CD2 LEU 51 -10.509 28.375 1.172 1.00 71.32 ATOM 802 HD21 LEU 51 -11.112 28.114 0.315 1.00 51.14 ATOM 803 HD22 LEU 51 -10.335 29.441 1.179 1.00 64.31 ATOM 804 HD23 LEU 51 -11.028 28.088 2.075 1.00 74.43 ATOM 805 C LEU 51 -7.505 25.732 -0.711 1.00 13.41 ATOM 806 O LEU 51 -7.228 24.883 0.138 1.00 61.55 ATOM 807 N LEU 52 -8.097 25.435 -1.868 1.00 24.33 ATOM 808 HN LEU 52 -8.294 26.162 -2.499 1.00 38.28 ATOM 809 CA LEU 52 -8.473 24.060 -2.228 1.00 72.53 ATOM 810 HA LEU 52 -9.115 23.678 -1.445 1.00 61.41 ATOM 811 CB LEU 52 -9.256 24.058 -3.549 1.00 44.12 ATOM 812 HB1 LEU 52 -9.476 23.032 -3.812 1.00 38.28 ATOM 813 HB2 LEU 52 -8.620 24.477 -4.318 1.00 33.40 ATOM 814 CG LEU 52 -10.579 24.842 -3.529 1.00 22.44 ATOM 815 HG LEU 52 -10.370 25.878 -3.301 1.00 33.11 ATOM 816 CD1 LEU 52 -11.259 24.794 -4.896 1.00 42.33 ATOM 817 HD11 LEU 52 -11.477 23.768 -5.155 1.00 72.31 ATOM 818 HD12 LEU 52 -10.604 25.223 -5.641 1.00 34.00 ATOM 819 HD13 LEU 52 -12.180 25.359 -4.861 1.00 42.43 ATOM 820 CD2 LEU 52 -11.511 24.301 -2.446 1.00 21.40 ATOM 821 HD21 LEU 52 -11.730 23.261 -2.642 1.00 2.23 ATOM 822 HD22 LEU 52 -12.431 24.867 -2.449 1.00 64.43 ATOM 823 HD23 LEU 52 -11.038 24.393 -1.479 1.00 22.32 ATOM 824 C LEU 52 -7.248 23.137 -2.352 1.00 12.12 ATOM 825 O LEU 52 -7.323 21.947 -2.047 1.00 51.51 ATOM 826 N ALA 53 -6.127 23.687 -2.815 1.00 43.54 ATOM 827 HN ALA 53 -6.131 24.634 -3.069 1.00 38.28 ATOM 828 CA ALA 53 -4.893 22.908 -2.965 1.00 1.21 ATOM 829 HA ALA 53 -5.157 21.944 -3.384 1.00 22.22 ATOM 830 CB ALA 53 -3.949 23.602 -3.938 1.00 13.33 ATOM 831 HB1 ALA 53 -4.458 23.774 -4.876 1.00 5.11 ATOM 832 HB2 ALA 53 -3.083 22.979 -4.110 1.00 44.14 ATOM 833 HB3 ALA 53 -3.634 24.549 -3.523 1.00 14.32 ATOM 834 C ALA 53 -4.193 22.685 -1.613 1.00 13.33 ATOM 835 O ALA 53 -3.572 21.646 -1.385 1.00 3.11 ATOM 836 N ARG 54 -4.296 23.671 -0.723 1.00 14.02 ATOM 837 HN ARG 54 -4.814 24.469 -0.959 1.00 38.28 ATOM 838 CA ARG 54 -3.666 23.602 0.601 1.00 34.02 ATOM 839 HA ARG 54 -2.691 23.149 0.480 1.00 11.21 ATOM 840 CB ARG 54 -3.483 25.024 1.162 1.00 35.44 ATOM 841 HB1 ARG 54 -3.016 24.964 2.135 1.00 38.28 ATOM 842 HB2 ARG 54 -4.456 25.486 1.267 1.00 53.13 ATOM 843 CG ARG 54 -2.620 25.918 0.268 1.00 20.54 ATOM 844 HG1 ARG 54 -3.024 25.901 -0.736 1.00 38.28 ATOM 845 HG2 ARG 54 -1.613 25.527 0.252 1.00 33.34 ATOM 846 CD ARG 54 -2.575 27.365 0.755 1.00 53.24 ATOM 847 HD1 ARG 54 -1.973 27.414 1.652 1.00 38.28 ATOM 848 HD2 ARG 54 -3.582 27.688 0.978 1.00 22.21 ATOM 849 NE ARG 54 -1.999 28.260 -0.254 1.00 33.43 ATOM 850 HE ARG 54 -1.670 27.852 -1.081 1.00 55.21 ATOM 851 CZ ARG 54 -1.925 29.557 -0.137 1.00 75.22 ATOM 852 NH1 ARG 54 -2.275 30.139 0.962 1.00 74.51 ATOM 853 HH11 ARG 54 -2.602 29.595 1.730 1.00 13.43 ATOM 854 HH12 ARG 54 -2.217 31.132 1.042 1.00 14.44 ATOM 855 NH2 ARG 54 -1.472 30.271 -1.118 1.00 74.13 ATOM 856 HH21 ARG 54 -1.179 29.826 -1.964 1.00 72.55 ATOM 857 HH22 ARG 54 -1.427 31.264 -1.033 1.00 72.02 ATOM 858 C ARG 54 -4.492 22.732 1.566 1.00 33.32 ATOM 859 O ARG 54 -3.946 22.079 2.453 1.00 44.52 ATOM 860 N TYR 55 -5.812 22.727 1.383 1.00 44.24 ATOM 861 HN TYR 55 -6.198 23.309 0.695 1.00 38.28 ATOM 862 CA TYR 55 -6.710 21.873 2.173 1.00 55.33 ATOM 863 HA TYR 55 -6.147 21.484 3.010 1.00 11.53 ATOM 864 CB TYR 55 -7.888 22.695 2.712 1.00 44.41 ATOM 865 HB1 TYR 55 -8.625 22.024 3.134 1.00 38.28 ATOM 866 HB2 TYR 55 -8.337 23.246 1.898 1.00 50.11 ATOM 867 CG TYR 55 -7.487 23.690 3.787 1.00 1.42 ATOM 868 CD1 TYR 55 -7.787 23.456 5.125 1.00 22.24 ATOM 869 HD1 TYR 55 -8.325 22.555 5.394 1.00 21.23 ATOM 870 CD2 TYR 55 -6.794 24.853 3.465 1.00 33.31 ATOM 871 HD2 TYR 55 -6.550 25.050 2.430 1.00 61.14 ATOM 872 CE1 TYR 55 -7.415 24.353 6.108 1.00 44.01 ATOM 873 HE1 TYR 55 -7.660 24.152 7.141 1.00 5.13 ATOM 874 CE2 TYR 55 -6.418 25.755 4.442 1.00 43.42 ATOM 875 HE2 TYR 55 -5.880 26.651 4.171 1.00 3.11 ATOM 876 CZ TYR 55 -6.729 25.500 5.762 1.00 4.53 ATOM 877 OH TYR 55 -6.353 26.396 6.740 1.00 2.12 ATOM 878 HH TYR 55 -6.409 27.296 6.389 1.00 61.54 ATOM 879 C TYR 55 -7.223 20.691 1.330 1.00 61.15 ATOM 880 O TYR 55 -8.142 20.846 0.527 1.00 25.10 ATOM 881 N PRO 56 -6.636 19.490 1.512 1.00 25.01 ATOM 882 CA PRO 56 -6.955 18.312 0.682 1.00 50.44 ATOM 883 HA PRO 56 -6.799 18.525 -0.367 1.00 43.25 ATOM 884 CB PRO 56 -5.928 17.263 1.143 1.00 1.24 ATOM 885 HB1 PRO 56 -5.069 17.286 0.489 1.00 38.28 ATOM 886 HB2 PRO 56 -6.372 16.277 1.125 1.00 4.54 ATOM 887 CG PRO 56 -5.563 17.676 2.530 1.00 42.11 ATOM 888 HG1 PRO 56 -4.564 17.337 2.765 1.00 38.28 ATOM 889 HG2 PRO 56 -6.273 17.267 3.237 1.00 51.21 ATOM 890 CD PRO 56 -5.621 19.182 2.538 1.00 4.32 ATOM 891 HD1 PRO 56 -4.661 19.600 2.267 1.00 38.28 ATOM 892 HD2 PRO 56 -5.930 19.546 3.508 1.00 1.32 ATOM 893 C PRO 56 -8.394 17.801 0.873 1.00 1.41 ATOM 894 O PRO 56 -8.645 16.865 1.635 1.00 74.11 ATOM 895 N LEU 57 -9.338 18.443 0.196 1.00 41.41 ATOM 896 HN LEU 57 -9.091 19.247 -0.314 1.00 38.28 ATOM 897 CA LEU 57 -10.738 18.010 0.204 1.00 34.01 ATOM 898 HA LEU 57 -10.929 17.501 1.139 1.00 34.14 ATOM 899 CB LEU 57 -11.663 19.233 0.100 1.00 23.41 ATOM 900 HB1 LEU 57 -12.685 18.882 0.116 1.00 38.28 ATOM 901 HB2 LEU 57 -11.483 19.714 -0.855 1.00 75.22 ATOM 902 CG LEU 57 -11.501 20.291 1.207 1.00 1.03 ATOM 903 HG LEU 57 -10.485 20.663 1.190 1.00 3.25 ATOM 904 CD1 LEU 57 -12.434 21.474 0.957 1.00 5.51 ATOM 905 HD11 LEU 57 -12.293 22.216 1.730 1.00 63.03 ATOM 906 HD12 LEU 57 -13.462 21.137 0.968 1.00 50.23 ATOM 907 HD13 LEU 57 -12.212 21.913 -0.005 1.00 61.20 ATOM 908 CD2 LEU 57 -11.758 19.682 2.586 1.00 54.33 ATOM 909 HD21 LEU 57 -11.046 18.889 2.768 1.00 54.23 ATOM 910 HD22 LEU 57 -12.759 19.279 2.624 1.00 62.04 ATOM 911 HD23 LEU 57 -11.648 20.443 3.346 1.00 62.22 ATOM 912 C LEU 57 -11.023 17.042 -0.958 1.00 63.43 ATOM 913 O LEU 57 -10.257 16.970 -1.920 1.00 45.40 ATOM 914 N THR 58 -12.125 16.302 -0.871 1.00 72.31 ATOM 915 HN THR 58 -12.686 16.371 -0.072 1.00 38.28 ATOM 916 CA THR 58 -12.528 15.395 -1.957 1.00 52.03 ATOM 917 HA THR 58 -11.662 14.819 -2.254 1.00 34.44 ATOM 918 CB THR 58 -13.644 14.413 -1.519 1.00 71.12 ATOM 919 HB THR 58 -13.780 13.677 -2.301 1.00 13.33 ATOM 920 OG1 THR 58 -14.882 15.119 -1.327 1.00 41.23 ATOM 921 HG1 THR 58 -15.508 14.548 -0.861 1.00 71.51 ATOM 922 CG2 THR 58 -13.268 13.685 -0.231 1.00 22.25 ATOM 923 HG21 THR 58 -14.064 13.008 0.047 1.00 20.54 ATOM 924 HG22 THR 58 -13.117 14.405 0.562 1.00 74.31 ATOM 925 HG23 THR 58 -12.358 13.125 -0.385 1.00 41.53 ATOM 926 C THR 58 -13.037 16.192 -3.161 1.00 33.54 ATOM 927 O THR 58 -13.629 17.260 -2.996 1.00 41.25 ATOM 928 N GLU 59 -12.820 15.675 -4.370 1.00 1.32 ATOM 929 HN GLU 59 -12.327 14.829 -4.445 1.00 38.28 ATOM 930 CA GLU 59 -13.293 16.337 -5.598 1.00 31.13 ATOM 931 HA GLU 59 -12.737 17.259 -5.705 1.00 21.10 ATOM 932 CB GLU 59 -13.013 15.447 -6.820 1.00 35.31 ATOM 933 HB1 GLU 59 -13.424 15.922 -7.700 1.00 38.28 ATOM 934 HB2 GLU 59 -13.502 14.494 -6.676 1.00 62.35 ATOM 935 CG GLU 59 -11.528 15.194 -7.063 1.00 22.22 ATOM 936 HG1 GLU 59 -11.094 14.787 -6.159 1.00 38.28 ATOM 937 HG2 GLU 59 -11.048 16.135 -7.293 1.00 13.45 ATOM 938 CD GLU 59 -11.269 14.222 -8.206 1.00 15.24 ATOM 939 OE1 GLU 59 -11.453 13.001 -8.007 1.00 54.42 ATOM 940 OE2 GLU 59 -10.865 14.666 -9.303 1.00 3.00 ATOM 941 C GLU 59 -14.793 16.682 -5.519 1.00 23.53 ATOM 942 O GLU 59 -15.276 17.572 -6.223 1.00 20.35 ATOM 943 N SER 60 -15.520 15.966 -4.658 1.00 65.44 ATOM 944 HN SER 60 -15.098 15.204 -4.207 1.00 38.28 ATOM 945 CA SER 60 -16.931 16.264 -4.379 1.00 30.20 ATOM 946 HA SER 60 -17.419 16.466 -5.325 1.00 33.14 ATOM 947 CB SER 60 -17.610 15.055 -3.720 1.00 73.34 ATOM 948 HB1 SER 60 -18.649 15.286 -3.528 1.00 38.28 ATOM 949 HB2 SER 60 -17.114 14.829 -2.788 1.00 10.42 ATOM 950 OG SER 60 -17.544 13.909 -4.560 1.00 5.25 ATOM 951 HG SER 60 -17.682 13.114 -4.031 1.00 11.14 ATOM 952 C SER 60 -17.071 17.500 -3.477 1.00 14.22 ATOM 953 O SER 60 -17.930 18.354 -3.707 1.00 74.13 ATOM 954 N GLN 61 -16.224 17.597 -2.446 1.00 62.34 ATOM 955 HN GLN 61 -15.585 16.868 -2.279 1.00 38.28 ATOM 956 CA GLN 61 -16.221 18.767 -1.556 1.00 21.41 ATOM 957 HA GLN 61 -17.219 18.866 -1.147 1.00 12.54 ATOM 958 CB GLN 61 -15.230 18.575 -0.396 1.00 60.01 ATOM 959 HB1 GLN 61 -15.181 19.495 0.172 1.00 38.28 ATOM 960 HB2 GLN 61 -14.252 18.366 -0.806 1.00 31.23 ATOM 961 CG GLN 61 -15.596 17.442 0.561 1.00 34.10 ATOM 962 HG1 GLN 61 -15.664 16.520 0.000 1.00 38.28 ATOM 963 HG2 GLN 61 -16.555 17.659 1.006 1.00 74.12 ATOM 964 CD GLN 61 -14.572 17.262 1.672 1.00 64.41 ATOM 965 OE1 GLN 61 -13.604 16.524 1.529 1.00 64.45 ATOM 966 NE2 GLN 61 -14.781 17.922 2.792 1.00 72.11 ATOM 967 HE21 GLN 61 -15.576 18.489 2.858 1.00 24.01 ATOM 968 HE22 GLN 61 -14.135 17.813 3.517 1.00 4.32 ATOM 969 C GLN 61 -15.877 20.054 -2.328 1.00 31.11 ATOM 970 O GLN 61 -16.550 21.076 -2.175 1.00 4.44 ATOM 971 N LEU 62 -14.831 19.999 -3.166 1.00 50.33 ATOM 972 HN LEU 62 -14.316 19.165 -3.233 1.00 38.28 ATOM 973 CA LEU 62 -14.439 21.158 -3.989 1.00 13.03 ATOM 974 HA LEU 62 -14.194 21.967 -3.313 1.00 23.13 ATOM 975 CB LEU 62 -13.205 20.857 -4.859 1.00 45.40 ATOM 976 HB1 LEU 62 -13.119 21.641 -5.600 1.00 38.28 ATOM 977 HB2 LEU 62 -13.381 19.924 -5.378 1.00 11.41 ATOM 978 CG LEU 62 -11.854 20.750 -4.122 1.00 64.23 ATOM 979 HG LEU 62 -11.778 21.552 -3.401 1.00 45.13 ATOM 980 CD1 LEU 62 -11.745 19.444 -3.359 1.00 71.24 ATOM 981 HD11 LEU 62 -10.797 19.404 -2.845 1.00 41.40 ATOM 982 HD12 LEU 62 -11.817 18.614 -4.049 1.00 22.53 ATOM 983 HD13 LEU 62 -12.547 19.381 -2.637 1.00 1.14 ATOM 984 CD2 LEU 62 -10.694 20.893 -5.104 1.00 73.24 ATOM 985 HD21 LEU 62 -10.749 21.857 -5.588 1.00 42.13 ATOM 986 HD22 LEU 62 -10.753 20.113 -5.850 1.00 62.40 ATOM 987 HD23 LEU 62 -9.759 20.809 -4.571 1.00 40.45 ATOM 988 C LEU 62 -15.592 21.618 -4.895 1.00 61.33 ATOM 989 O LEU 62 -15.722 22.805 -5.190 1.00 11.31 ATOM 990 N ALA 63 -16.419 20.672 -5.341 1.00 55.12 ATOM 991 HN ALA 63 -16.232 19.733 -5.123 1.00 38.28 ATOM 992 CA ALA 63 -17.596 20.992 -6.155 1.00 22.31 ATOM 993 HA ALA 63 -17.253 21.476 -7.060 1.00 42.12 ATOM 994 CB ALA 63 -18.325 19.712 -6.547 1.00 35.12 ATOM 995 HB1 ALA 63 -19.165 19.954 -7.182 1.00 64.33 ATOM 996 HB2 ALA 63 -18.680 19.211 -5.657 1.00 72.32 ATOM 997 HB3 ALA 63 -17.648 19.061 -7.080 1.00 51.21 ATOM 998 C ALA 63 -18.545 21.943 -5.412 1.00 51.12 ATOM 999 O ALA 63 -19.035 22.925 -5.977 1.00 5.31 ATOM 1000 N LEU 64 -18.790 21.646 -4.134 1.00 72.03 ATOM 1001 HN LEU 64 -18.402 20.828 -3.757 1.00 38.28 ATOM 1002 CA LEU 64 -19.622 22.500 -3.281 1.00 52.34 ATOM 1003 HA LEU 64 -20.547 22.691 -3.809 1.00 24.24 ATOM 1004 CB LEU 64 -19.943 21.797 -1.955 1.00 40.33 ATOM 1005 HB1 LEU 64 -19.009 21.557 -1.466 1.00 38.28 ATOM 1006 HB2 LEU 64 -20.460 20.874 -2.178 1.00 54.12 ATOM 1007 CG LEU 64 -20.807 22.616 -0.973 1.00 63.01 ATOM 1008 HG LEU 64 -20.348 23.584 -0.829 1.00 73.14 ATOM 1009 CD1 LEU 64 -22.206 22.848 -1.544 1.00 42.33 ATOM 1010 HD11 LEU 64 -22.683 21.896 -1.731 1.00 51.11 ATOM 1011 HD12 LEU 64 -22.131 23.399 -2.470 1.00 44.13 ATOM 1012 HD13 LEU 64 -22.796 23.415 -0.838 1.00 64.41 ATOM 1013 CD2 LEU 64 -20.882 21.932 0.389 1.00 14.40 ATOM 1014 HD21 LEU 64 -21.337 20.957 0.281 1.00 22.32 ATOM 1015 HD22 LEU 64 -21.477 22.532 1.062 1.00 24.21 ATOM 1016 HD23 LEU 64 -19.886 21.821 0.794 1.00 63.24 ATOM 1017 C LEU 64 -18.930 23.840 -2.996 1.00 35.12 ATOM 1018 O LEU 64 -19.530 24.901 -3.150 1.00 13.12 ATOM 1019 N VAL 65 -17.663 23.783 -2.582 1.00 40.01 ATOM 1020 HN VAL 65 -17.239 22.905 -2.471 1.00 38.28 ATOM 1021 CA VAL 65 -16.888 24.995 -2.286 1.00 41.32 ATOM 1022 HA VAL 65 -17.360 25.489 -1.446 1.00 72.24 ATOM 1023 CB VAL 65 -15.432 24.645 -1.887 1.00 61.14 ATOM 1024 HB VAL 65 -14.959 24.162 -2.732 1.00 41.13 ATOM 1025 CG1 VAL 65 -14.636 25.906 -1.555 1.00 55.25 ATOM 1026 HG11 VAL 65 -15.115 26.433 -0.742 1.00 62.32 ATOM 1027 HG12 VAL 65 -14.595 26.547 -2.423 1.00 62.30 ATOM 1028 HG13 VAL 65 -13.632 25.633 -1.263 1.00 65.10 ATOM 1029 CG2 VAL 65 -15.410 23.666 -0.711 1.00 33.41 ATOM 1030 HG21 VAL 65 -14.388 23.400 -0.479 1.00 63.44 ATOM 1031 HG22 VAL 65 -15.962 22.774 -0.973 1.00 0.42 ATOM 1032 HG23 VAL 65 -15.864 24.128 0.153 1.00 60.22 ATOM 1033 C VAL 65 -16.877 25.961 -3.487 1.00 51.21 ATOM 1034 O VAL 65 -17.061 27.170 -3.331 1.00 71.54 ATOM 1035 N ARG 66 -16.685 25.414 -4.690 1.00 2.22 ATOM 1036 HN ARG 66 -16.521 24.450 -4.753 1.00 38.28 ATOM 1037 CA ARG 66 -16.717 26.218 -5.919 1.00 2.31 ATOM 1038 HA ARG 66 -16.034 27.046 -5.780 1.00 13.21 ATOM 1039 CB ARG 66 -16.247 25.391 -7.130 1.00 15.15 ATOM 1040 HB1 ARG 66 -16.437 25.956 -8.033 1.00 38.28 ATOM 1041 HB2 ARG 66 -16.817 24.473 -7.168 1.00 45.45 ATOM 1042 CG ARG 66 -14.764 25.032 -7.096 1.00 62.33 ATOM 1043 HG1 ARG 66 -14.583 24.373 -6.259 1.00 38.28 ATOM 1044 HG2 ARG 66 -14.189 25.938 -6.968 1.00 25.21 ATOM 1045 CD ARG 66 -14.305 24.340 -8.380 1.00 11.22 ATOM 1046 HD1 ARG 66 -13.226 24.287 -8.375 1.00 38.28 ATOM 1047 HD2 ARG 66 -14.626 24.932 -9.226 1.00 2.54 ATOM 1048 NE ARG 66 -14.844 22.983 -8.518 1.00 13.55 ATOM 1049 HE ARG 66 -14.870 22.422 -7.719 1.00 34.30 ATOM 1050 CZ ARG 66 -15.263 22.468 -9.648 1.00 64.02 ATOM 1051 NH1 ARG 66 -15.279 23.172 -10.733 1.00 63.03 ATOM 1052 HH11 ARG 66 -14.971 24.118 -10.720 1.00 24.03 ATOM 1053 HH12 ARG 66 -15.595 22.757 -11.586 1.00 51.44 ATOM 1054 NH2 ARG 66 -15.671 21.245 -9.687 1.00 73.11 ATOM 1055 HH21 ARG 66 -15.665 20.691 -8.859 1.00 34.32 ATOM 1056 HH22 ARG 66 -15.991 20.853 -10.551 1.00 13.11 ATOM 1057 C ARG 66 -18.119 26.792 -6.180 1.00 23.40 ATOM 1058 O ARG 66 -18.261 27.872 -6.765 1.00 74.35 ATOM 1059 N ASP 67 -19.149 26.075 -5.737 1.00 22.50 ATOM 1060 HN ASP 67 -18.976 25.216 -5.296 1.00 38.28 ATOM 1061 CA ASP 67 -20.534 26.527 -5.890 1.00 43.22 ATOM 1062 HA ASP 67 -20.656 26.877 -6.906 1.00 2.20 ATOM 1063 CB ASP 67 -21.498 25.361 -5.649 1.00 24.41 ATOM 1064 HB1 ASP 67 -21.411 25.034 -4.623 1.00 38.28 ATOM 1065 HB2 ASP 67 -21.231 24.542 -6.304 1.00 13.22 ATOM 1066 CG ASP 67 -22.942 25.740 -5.919 1.00 31.00 ATOM 1067 OD1 ASP 67 -23.313 25.878 -7.107 1.00 73.42 ATOM 1068 OD2 ASP 67 -23.715 25.895 -4.956 1.00 31.51 ATOM 1069 C ASP 67 -20.845 27.685 -4.928 1.00 30.31 ATOM 1070 O ASP 67 -21.337 28.737 -5.348 1.00 21.53 ATOM 1071 N ILE 68 -20.550 27.485 -3.639 1.00 1.03 ATOM 1072 HN ILE 68 -20.208 26.607 -3.364 1.00 38.28 ATOM 1073 CA ILE 68 -20.725 28.532 -2.622 1.00 42.32 ATOM 1074 HA ILE 68 -21.781 28.766 -2.565 1.00 54.24 ATOM 1075 CB ILE 68 -20.255 28.048 -1.225 1.00 33.31 ATOM 1076 HB ILE 68 -19.210 27.774 -1.300 1.00 63.14 ATOM 1077 CG1 ILE 68 -21.065 26.816 -0.788 1.00 50.42 ATOM 1078 HG11 ILE 68 -20.960 26.041 -1.535 1.00 38.28 ATOM 1079 HG12 ILE 68 -22.106 27.089 -0.706 1.00 11.31 ATOM 1080 CG2 ILE 68 -20.376 29.171 -0.192 1.00 42.32 ATOM 1081 HG21 ILE 68 -19.780 30.018 -0.503 1.00 23.55 ATOM 1082 HG22 ILE 68 -20.022 28.819 0.767 1.00 32.11 ATOM 1083 HG23 ILE 68 -21.410 29.473 -0.104 1.00 31.33 ATOM 1084 CD1 ILE 68 -20.634 26.236 0.544 1.00 63.54 ATOM 1085 HD11 ILE 68 -21.267 25.397 0.791 1.00 12.50 ATOM 1086 HD12 ILE 68 -20.721 26.991 1.311 1.00 54.20 ATOM 1087 HD13 ILE 68 -19.608 25.904 0.478 1.00 72.02 ATOM 1088 C ILE 68 -19.955 29.806 -3.004 1.00 10.04 ATOM 1089 O ILE 68 -20.483 30.916 -2.920 1.00 11.03 ATOM 1090 N ARG 69 -18.706 29.625 -3.434 1.00 45.51 ATOM 1091 HN ARG 69 -18.321 28.722 -3.395 1.00 38.28 ATOM 1092 CA ARG 69 -17.878 30.724 -3.950 1.00 22.23 ATOM 1093 HA ARG 69 -17.636 31.372 -3.119 1.00 15.15 ATOM 1094 CB ARG 69 -16.570 30.142 -4.530 1.00 14.43 ATOM 1095 HB1 ARG 69 -16.826 29.328 -5.195 1.00 38.28 ATOM 1096 HB2 ARG 69 -15.986 29.742 -3.713 1.00 34.41 ATOM 1097 CG ARG 69 -15.676 31.125 -5.302 1.00 10.43 ATOM 1098 HG1 ARG 69 -14.651 30.782 -5.243 1.00 38.28 ATOM 1099 HG2 ARG 69 -15.751 32.100 -4.839 1.00 44.02 ATOM 1100 CD ARG 69 -16.076 31.250 -6.779 1.00 61.23 ATOM 1101 HD1 ARG 69 -15.240 31.655 -7.334 1.00 38.28 ATOM 1102 HD2 ARG 69 -16.916 31.927 -6.856 1.00 21.33 ATOM 1103 NE ARG 69 -16.460 29.957 -7.360 1.00 24.41 ATOM 1104 HE ARG 69 -17.218 29.492 -6.959 1.00 54.21 ATOM 1105 CZ ARG 69 -15.871 29.390 -8.380 1.00 60.44 ATOM 1106 NH1 ARG 69 -14.847 29.941 -8.945 1.00 34.02 ATOM 1107 HH11 ARG 69 -14.499 30.808 -8.606 1.00 51.44 ATOM 1108 HH12 ARG 69 -14.403 29.493 -9.721 1.00 53.41 ATOM 1109 NH2 ARG 69 -16.317 28.263 -8.830 1.00 71.43 ATOM 1110 HH21 ARG 69 -17.105 27.831 -8.398 1.00 54.31 ATOM 1111 HH22 ARG 69 -15.878 27.828 -9.617 1.00 42.32 ATOM 1112 C ARG 69 -18.634 31.539 -5.008 1.00 60.12 ATOM 1113 O ARG 69 -18.667 32.767 -4.953 1.00 12.41 ATOM 1114 N ARG 70 -19.247 30.845 -5.967 1.00 63.14 ATOM 1115 HN ARG 70 -19.212 29.863 -5.942 1.00 38.28 ATOM 1116 CA ARG 70 -19.989 31.505 -7.046 1.00 51.15 ATOM 1117 HA ARG 70 -19.343 32.254 -7.483 1.00 23.45 ATOM 1118 CB ARG 70 -20.363 30.472 -8.121 1.00 54.12 ATOM 1119 HB1 ARG 70 -21.111 29.806 -7.712 1.00 38.28 ATOM 1120 HB2 ARG 70 -19.483 29.892 -8.365 1.00 23.41 ATOM 1121 CG ARG 70 -20.912 31.063 -9.421 1.00 0.43 ATOM 1122 HG1 ARG 70 -21.811 31.623 -9.199 1.00 38.28 ATOM 1123 HG2 ARG 70 -21.155 30.252 -10.094 1.00 63.31 ATOM 1124 CD ARG 70 -19.906 31.992 -10.111 1.00 71.32 ATOM 1125 HD1 ARG 70 -20.043 31.916 -11.183 1.00 38.28 ATOM 1126 HD2 ARG 70 -18.905 31.671 -9.859 1.00 43.24 ATOM 1127 NE ARG 70 -20.070 33.391 -9.710 1.00 32.21 ATOM 1128 HE ARG 70 -20.950 33.668 -9.385 1.00 12.04 ATOM 1129 CZ ARG 70 -19.140 34.308 -9.820 1.00 74.24 ATOM 1130 NH1 ARG 70 -17.928 33.996 -10.154 1.00 31.12 ATOM 1131 HH11 ARG 70 -17.685 33.046 -10.331 1.00 31.14 ATOM 1132 HH12 ARG 70 -17.234 34.710 -10.239 1.00 62.31 ATOM 1133 NH2 ARG 70 -19.427 35.542 -9.557 1.00 61.14 ATOM 1134 HH21 ARG 70 -20.352 35.787 -9.274 1.00 42.32 ATOM 1135 HH22 ARG 70 -18.727 36.250 -9.653 1.00 23.43 ATOM 1136 C ARG 70 -21.251 32.192 -6.492 1.00 23.21 ATOM 1137 O ARG 70 -21.587 33.307 -6.887 1.00 75.32 ATOM 1138 N ARG 71 -21.923 31.517 -5.558 1.00 1.10 ATOM 1139 HN ARG 71 -21.594 30.634 -5.289 1.00 38.28 ATOM 1140 CA ARG 71 -23.133 32.048 -4.908 1.00 3.34 ATOM 1141 HA ARG 71 -23.882 32.191 -5.671 1.00 62.13 ATOM 1142 CB ARG 71 -23.652 31.033 -3.878 1.00 4.43 ATOM 1143 HB1 ARG 71 -24.420 31.505 -3.278 1.00 38.28 ATOM 1144 HB2 ARG 71 -22.835 30.747 -3.230 1.00 42.31 ATOM 1145 CG ARG 71 -24.239 29.767 -4.493 1.00 73.40 ATOM 1146 HG1 ARG 71 -23.590 29.431 -5.290 1.00 38.28 ATOM 1147 HG2 ARG 71 -25.215 29.994 -4.895 1.00 53.55 ATOM 1148 CD ARG 71 -24.377 28.646 -3.466 1.00 74.32 ATOM 1149 HD1 ARG 71 -23.397 28.237 -3.267 1.00 38.28 ATOM 1150 HD2 ARG 71 -25.009 27.871 -3.877 1.00 71.24 ATOM 1151 NE ARG 71 -24.952 29.118 -2.211 1.00 32.43 ATOM 1152 HE ARG 71 -24.393 29.691 -1.644 1.00 72.53 ATOM 1153 CZ ARG 71 -26.146 28.825 -1.786 1.00 24.20 ATOM 1154 NH1 ARG 71 -26.921 28.040 -2.466 1.00 60.35 ATOM 1155 HH11 ARG 71 -26.601 27.645 -3.324 1.00 54.12 ATOM 1156 HH12 ARG 71 -27.836 27.835 -2.133 1.00 12.34 ATOM 1157 NH2 ARG 71 -26.553 29.306 -0.661 1.00 1.13 ATOM 1158 HH21 ARG 71 -25.943 29.892 -0.125 1.00 52.43 ATOM 1159 HH22 ARG 71 -27.472 29.107 -0.337 1.00 3.44 ATOM 1160 C ARG 71 -22.864 33.394 -4.215 1.00 4.33 ATOM 1161 O ARG 71 -23.506 34.408 -4.511 1.00 1.21 ATOM 1162 N GLY 72 -21.913 33.390 -3.286 1.00 2.50 ATOM 1163 HN GLY 72 -21.449 32.552 -3.081 1.00 38.28 ATOM 1164 CA GLY 72 -21.559 34.604 -2.564 1.00 12.34 ATOM 1165 HA1 GLY 72 -20.863 34.348 -1.780 1.00 38.28 ATOM 1166 HA2 GLY 72 -22.453 35.016 -2.115 1.00 72.44 ATOM 1167 C GLY 72 -20.923 35.666 -3.455 1.00 75.13 ATOM 1168 O GLY 72 -21.158 36.861 -3.276 1.00 61.12 ATOM 1169 N LYS 73 -20.114 35.235 -4.422 1.00 23.32 ATOM 1170 HN LYS 73 -19.942 34.273 -4.510 1.00 38.28 ATOM 1171 CA LYS 73 -19.467 36.168 -5.348 1.00 61.53 ATOM 1172 HA LYS 73 -18.948 36.904 -4.752 1.00 72.25 ATOM 1173 CB LYS 73 -18.443 35.434 -6.229 1.00 50.32 ATOM 1174 HB1 LYS 73 -18.974 34.841 -6.962 1.00 38.28 ATOM 1175 HB2 LYS 73 -17.860 34.771 -5.604 1.00 21.30 ATOM 1176 CG LYS 73 -17.477 36.358 -6.973 1.00 5.22 ATOM 1177 HG1 LYS 73 -18.052 37.068 -7.552 1.00 38.28 ATOM 1178 HG2 LYS 73 -16.870 35.763 -7.640 1.00 42.11 ATOM 1179 CD LYS 73 -16.551 37.127 -6.024 1.00 43.40 ATOM 1180 HD1 LYS 73 -17.154 37.662 -5.304 1.00 38.28 ATOM 1181 HD2 LYS 73 -15.969 37.834 -6.598 1.00 4.23 ATOM 1182 CE LYS 73 -15.593 36.201 -5.275 1.00 35.22 ATOM 1183 HE1 LYS 73 -15.031 35.625 -5.997 1.00 38.28 ATOM 1184 HE2 LYS 73 -16.169 35.531 -4.654 1.00 62.31 ATOM 1185 NZ LYS 73 -14.643 36.956 -4.413 1.00 31.41 ATOM 1186 HZ1 LYS 73 -15.164 37.537 -3.724 1.00 41.44 ATOM 1187 HZ2 LYS 73 -14.046 37.579 -4.991 1.00 64.34 ATOM 1188 HZ3 LYS 73 -14.030 36.294 -3.890 1.00 4.52 ATOM 1189 C LYS 73 -20.513 36.895 -6.215 1.00 72.40 ATOM 1190 O LYS 73 -20.335 38.057 -6.566 1.00 0.15 ATOM 1191 N ASN 74 -21.609 36.207 -6.549 1.00 40.22 ATOM 1192 HN ASN 74 -21.658 35.252 -6.330 1.00 38.28 ATOM 1193 CA ASN 74 -22.738 36.849 -7.244 1.00 61.23 ATOM 1194 HA ASN 74 -22.332 37.439 -8.055 1.00 33.33 ATOM 1195 CB ASN 74 -23.697 35.801 -7.826 1.00 42.22 ATOM 1196 HB1 ASN 74 -24.549 36.305 -8.261 1.00 38.28 ATOM 1197 HB2 ASN 74 -24.038 35.152 -7.032 1.00 15.32 ATOM 1198 CG ASN 74 -23.049 34.945 -8.893 1.00 32.52 ATOM 1199 OD1 ASN 74 -22.096 35.357 -9.544 1.00 41.30 ATOM 1200 ND2 ASN 74 -23.564 33.748 -9.090 1.00 53.21 ATOM 1201 HD21 ASN 74 -24.329 33.476 -8.537 1.00 4.42 ATOM 1202 HD22 ASN 74 -23.174 33.189 -9.788 1.00 61.10 ATOM 1203 C ASN 74 -23.506 37.783 -6.294 1.00 33.12 ATOM 1204 O ASN 74 -24.007 38.835 -6.700 1.00 25.13 ATOM 1205 N LYS 75 -23.592 37.379 -5.028 1.00 21.01 ATOM 1206 HN LYS 75 -23.225 36.502 -4.794 1.00 38.28 ATOM 1207 CA LYS 75 -24.222 38.185 -3.972 1.00 1.15 ATOM 1208 HA LYS 75 -25.264 38.311 -4.228 1.00 11.53 ATOM 1209 CB LYS 75 -24.127 37.429 -2.635 1.00 3.10 ATOM 1210 HB1 LYS 75 -23.095 37.152 -2.472 1.00 38.28 ATOM 1211 HB2 LYS 75 -24.718 36.527 -2.707 1.00 34.43 ATOM 1212 CG LYS 75 -24.608 38.215 -1.419 1.00 51.03 ATOM 1213 HG1 LYS 75 -25.660 38.436 -1.537 1.00 38.28 ATOM 1214 HG2 LYS 75 -24.049 39.139 -1.356 1.00 33.11 ATOM 1215 CD LYS 75 -24.404 37.424 -0.125 1.00 74.31 ATOM 1216 HD1 LYS 75 -23.373 37.105 -0.069 1.00 38.28 ATOM 1217 HD2 LYS 75 -25.048 36.555 -0.140 1.00 31.03 ATOM 1218 CE LYS 75 -24.730 38.252 1.113 1.00 51.42 ATOM 1219 HE1 LYS 75 -24.610 37.631 1.989 1.00 38.28 ATOM 1220 HE2 LYS 75 -25.756 38.585 1.049 1.00 40.41 ATOM 1221 NZ LYS 75 -23.843 39.439 1.238 1.00 12.55 ATOM 1222 HZ1 LYS 75 -24.047 39.942 2.122 1.00 34.44 ATOM 1223 HZ2 LYS 75 -23.999 40.089 0.441 1.00 22.04 ATOM 1224 HZ3 LYS 75 -22.844 39.143 1.243 1.00 50.02 ATOM 1225 C LYS 75 -23.569 39.576 -3.852 1.00 52.31 ATOM 1226 O LYS 75 -24.254 40.585 -3.673 1.00 1.02 ATOM 1227 N VAL 76 -22.240 39.623 -3.949 1.00 1.01 ATOM 1228 HN VAL 76 -21.739 38.786 -4.047 1.00 38.28 ATOM 1229 CA VAL 76 -21.509 40.896 -3.895 1.00 33.20 ATOM 1230 HA VAL 76 -22.059 41.557 -3.233 1.00 51.53 ATOM 1231 CB VAL 76 -20.083 40.716 -3.304 1.00 71.44 ATOM 1232 HB VAL 76 -20.180 40.272 -2.321 1.00 61.52 ATOM 1233 CG1 VAL 76 -19.243 39.772 -4.159 1.00 42.11 ATOM 1234 HG11 VAL 76 -18.279 39.624 -3.693 1.00 65.00 ATOM 1235 HG12 VAL 76 -19.103 40.201 -5.142 1.00 51.51 ATOM 1236 HG13 VAL 76 -19.748 38.821 -4.251 1.00 51.30 ATOM 1237 CG2 VAL 76 -19.390 42.070 -3.142 1.00 4.32 ATOM 1238 HG21 VAL 76 -19.291 42.545 -4.109 1.00 2.23 ATOM 1239 HG22 VAL 76 -18.410 41.928 -2.711 1.00 14.12 ATOM 1240 HG23 VAL 76 -19.979 42.701 -2.491 1.00 41.31 ATOM 1241 C VAL 76 -21.425 41.564 -5.285 1.00 1.03 ATOM 1242 O VAL 76 -21.559 42.784 -5.404 1.00 74.10 ATOM 1243 N ALA 77 -21.225 40.757 -6.336 1.00 51.02 ATOM 1244 HN ALA 77 -21.117 39.794 -6.182 1.00 38.28 ATOM 1245 CA ALA 77 -21.145 41.273 -7.713 1.00 33.24 ATOM 1246 HA ALA 77 -20.342 41.998 -7.749 1.00 63.10 ATOM 1247 CB ALA 77 -20.802 40.145 -8.683 1.00 20.41 ATOM 1248 HB1 ALA 77 -19.881 39.670 -8.373 1.00 3.11 ATOM 1249 HB2 ALA 77 -20.680 40.544 -9.679 1.00 30.40 ATOM 1250 HB3 ALA 77 -21.598 39.414 -8.683 1.00 53.21 ATOM 1251 C ALA 77 -22.449 41.962 -8.143 1.00 42.13 ATOM 1252 O ALA 77 -22.449 42.821 -9.027 1.00 33.51 ATOM 1253 N ALA 78 -23.556 41.580 -7.508 1.00 62.44 ATOM 1254 HN ALA 78 -23.495 40.860 -6.843 1.00 38.28 ATOM 1255 CA ALA 78 -24.865 42.179 -7.785 1.00 54.22 ATOM 1256 HA ALA 78 -25.094 42.000 -8.826 1.00 70.04 ATOM 1257 CB ALA 78 -25.943 41.501 -6.944 1.00 71.35 ATOM 1258 HB1 ALA 78 -26.911 41.905 -7.204 1.00 13.22 ATOM 1259 HB2 ALA 78 -25.750 41.676 -5.895 1.00 62.44 ATOM 1260 HB3 ALA 78 -25.935 40.438 -7.138 1.00 50.51 ATOM 1261 C ALA 78 -24.869 43.698 -7.536 1.00 24.11 ATOM 1262 O ALA 78 -25.695 44.425 -8.088 1.00 1.13 ATOM 1263 N GLN 79 -23.940 44.174 -6.706 1.00 30.20 ATOM 1264 HN GLN 79 -23.316 43.549 -6.278 1.00 38.28 ATOM 1265 CA GLN 79 -23.828 45.608 -6.407 1.00 13.50 ATOM 1266 HA GLN 79 -24.828 46.018 -6.362 1.00 52.40 ATOM 1267 CB GLN 79 -23.148 45.813 -5.046 1.00 2.11 ATOM 1268 HB1 GLN 79 -23.078 46.875 -4.850 1.00 38.28 ATOM 1269 HB2 GLN 79 -22.149 45.402 -5.094 1.00 53.34 ATOM 1270 CG GLN 79 -23.875 45.160 -3.875 1.00 11.32 ATOM 1271 HG1 GLN 79 -23.899 44.089 -4.032 1.00 38.28 ATOM 1272 HG2 GLN 79 -24.888 45.538 -3.838 1.00 64.30 ATOM 1273 CD GLN 79 -23.200 45.441 -2.541 1.00 64.12 ATOM 1274 OE1 GLN 79 -23.513 46.415 -1.865 1.00 22.50 ATOM 1275 NE2 GLN 79 -22.257 44.601 -2.161 1.00 32.12 ATOM 1276 HE21 GLN 79 -22.043 43.850 -2.749 1.00 74.22 ATOM 1277 HE22 GLN 79 -21.808 44.769 -1.306 1.00 60.35 ATOM 1278 C GLN 79 -23.036 46.360 -7.494 1.00 24.33 ATOM 1279 O GLN 79 -22.973 47.592 -7.488 1.00 53.14 ATOM 1280 N ASN 80 -22.424 45.621 -8.421 1.00 12.24 ATOM 1281 HN ASN 80 -22.532 44.646 -8.401 1.00 38.28 ATOM 1282 CA ASN 80 -21.584 46.230 -9.464 1.00 63.34 ATOM 1283 HA ASN 80 -21.938 47.239 -9.625 1.00 4.34 ATOM 1284 CB ASN 80 -20.128 46.292 -8.983 1.00 65.32 ATOM 1285 HB1 ASN 80 -20.082 46.882 -8.077 1.00 38.28 ATOM 1286 HB2 ASN 80 -19.523 46.767 -9.742 1.00 62.41 ATOM 1287 CG ASN 80 -19.544 44.918 -8.690 1.00 62.54 ATOM 1288 OD1 ASN 80 -19.611 44.424 -7.568 1.00 1.23 ATOM 1289 ND2 ASN 80 -18.970 44.286 -9.696 1.00 55.32 ATOM 1290 HD21 ASN 80 -18.948 44.728 -10.572 1.00 34.44 ATOM 1291 HD22 ASN 80 -18.587 43.403 -9.525 1.00 32.35 ATOM 1292 C ASN 80 -21.665 45.472 -10.801 1.00 53.13 ATOM 1293 O ASN 80 -20.728 45.515 -11.604 1.00 24.13 ATOM 1294 N TYR 81 -22.789 44.807 -11.058 1.00 63.32 ATOM 1295 HN TYR 81 -23.529 44.849 -10.418 1.00 38.28 ATOM 1296 CA TYR 81 -22.943 44.019 -12.287 1.00 41.30 ATOM 1297 HA TYR 81 -22.031 43.453 -12.422 1.00 12.31 ATOM 1298 CB TYR 81 -24.116 43.031 -12.167 1.00 14.05 ATOM 1299 HB1 TYR 81 -25.035 43.583 -12.023 1.00 38.28 ATOM 1300 HB2 TYR 81 -23.953 42.384 -11.316 1.00 2.13 ATOM 1301 CG TYR 81 -24.279 42.156 -13.399 1.00 65.42 ATOM 1302 CD1 TYR 81 -23.484 41.029 -13.587 1.00 42.11 ATOM 1303 HD1 TYR 81 -22.758 40.766 -12.832 1.00 63.20 ATOM 1304 CD2 TYR 81 -25.208 42.471 -14.388 1.00 43.24 ATOM 1305 HD2 TYR 81 -25.838 43.340 -14.261 1.00 5.04 ATOM 1306 CE1 TYR 81 -23.607 40.248 -14.721 1.00 71.32 ATOM 1307 HE1 TYR 81 -22.980 39.377 -14.849 1.00 34.23 ATOM 1308 CE2 TYR 81 -25.340 41.691 -15.520 1.00 60.23 ATOM 1309 HE2 TYR 81 -26.070 41.952 -16.275 1.00 54.01 ATOM 1310 CZ TYR 81 -24.537 40.582 -15.683 1.00 53.31 ATOM 1311 OH TYR 81 -24.648 39.817 -16.825 1.00 54.22 ATOM 1312 HH TYR 81 -24.342 40.333 -17.580 1.00 72.03 ATOM 1313 C TYR 81 -23.140 44.919 -13.523 1.00 13.31 ATOM 1314 O TYR 81 -23.991 45.814 -13.531 1.00 20.42 ATOM 1315 N ARG 82 -22.347 44.662 -14.565 1.00 34.51 ATOM 1316 HN ARG 82 -21.674 43.955 -14.481 1.00 38.28 ATOM 1317 CA ARG 82 -22.447 45.393 -15.833 1.00 62.34 ATOM 1318 HA ARG 82 -22.306 46.446 -15.623 1.00 41.41 ATOM 1319 CB ARG 82 -21.338 44.920 -16.782 1.00 72.42 ATOM 1320 HB1 ARG 82 -21.535 43.894 -17.061 1.00 38.28 ATOM 1321 HB2 ARG 82 -20.395 44.962 -16.255 1.00 53.23 ATOM 1322 CG ARG 82 -21.205 45.744 -18.059 1.00 71.52 ATOM 1323 HG1 ARG 82 -21.180 46.792 -17.798 1.00 38.28 ATOM 1324 HG2 ARG 82 -22.057 45.551 -18.695 1.00 64.44 ATOM 1325 CD ARG 82 -19.929 45.396 -18.821 1.00 41.23 ATOM 1326 HD1 ARG 82 -19.851 46.043 -19.682 1.00 38.28 ATOM 1327 HD2 ARG 82 -19.985 44.366 -19.150 1.00 74.14 ATOM 1328 NE ARG 82 -18.740 45.568 -17.985 1.00 63.35 ATOM 1329 HE ARG 82 -18.879 45.790 -17.044 1.00 35.23 ATOM 1330 CZ ARG 82 -17.512 45.443 -18.408 1.00 15.43 ATOM 1331 NH1 ARG 82 -17.261 45.167 -19.646 1.00 34.34 ATOM 1332 HH11 ARG 82 -18.010 45.047 -20.291 1.00 41.52 ATOM 1333 HH12 ARG 82 -16.314 45.075 -19.951 1.00 72.40 ATOM 1334 NH2 ARG 82 -16.528 45.600 -17.585 1.00 12.35 ATOM 1335 HH21 ARG 82 -16.708 45.813 -16.628 1.00 64.15 ATOM 1336 HH22 ARG 82 -15.588 45.514 -17.911 1.00 21.32 ATOM 1337 C ARG 82 -23.838 45.192 -16.458 1.00 52.44 ATOM 1338 O ARG 82 -24.157 44.114 -16.959 1.00 15.21 ATOM 1339 N LYS 83 -24.655 46.239 -16.415 1.00 42.11 ATOM 1340 HN LYS 83 -24.289 47.108 -16.144 1.00 38.28 ATOM 1341 CA LYS 83 -26.084 46.137 -16.749 1.00 22.54 ATOM 1342 HA LYS 83 -26.519 45.421 -16.066 1.00 75.35 ATOM 1343 CB LYS 83 -26.768 47.494 -16.526 1.00 64.33 ATOM 1344 HB1 LYS 83 -26.605 48.117 -17.396 1.00 38.28 ATOM 1345 HB2 LYS 83 -26.322 47.974 -15.666 1.00 62.25 ATOM 1346 CG LYS 83 -28.272 47.390 -16.288 1.00 20.44 ATOM 1347 HG1 LYS 83 -28.723 46.883 -17.129 1.00 38.28 ATOM 1348 HG2 LYS 83 -28.682 48.386 -16.210 1.00 43.03 ATOM 1349 CD LYS 83 -28.607 46.618 -15.005 1.00 15.32 ATOM 1350 HD1 LYS 83 -28.062 45.685 -15.009 1.00 38.28 ATOM 1351 HD2 LYS 83 -29.668 46.408 -14.998 1.00 53.22 ATOM 1352 CE LYS 83 -28.257 47.393 -13.728 1.00 34.45 ATOM 1353 HE1 LYS 83 -28.623 46.836 -12.876 1.00 38.28 ATOM 1354 HE2 LYS 83 -28.753 48.351 -13.762 1.00 41.13 ATOM 1355 NZ LYS 83 -26.791 47.622 -13.559 1.00 34.31 ATOM 1356 HZ1 LYS 83 -26.605 48.059 -12.633 1.00 44.44 ATOM 1357 HZ2 LYS 83 -26.441 48.263 -14.298 1.00 50.44 ATOM 1358 HZ3 LYS 83 -26.272 46.725 -13.618 1.00 12.13 ATOM 1359 C LYS 83 -26.337 45.651 -18.194 1.00 65.42 ATOM 1360 O LYS 83 -25.701 46.120 -19.141 1.00 40.25 ATOM 1361 N ARG 84 -27.288 44.723 -18.348 1.00 22.43 ATOM 1362 HN ARG 84 -27.759 44.392 -17.553 1.00 38.28 ATOM 1363 CA ARG 84 -27.654 44.174 -19.665 1.00 72.13 ATOM 1364 HA ARG 84 -26.755 44.107 -20.262 1.00 1.42 ATOM 1365 CB ARG 84 -28.253 42.767 -19.507 1.00 64.00 ATOM 1366 HB1 ARG 84 -28.533 42.393 -20.484 1.00 38.28 ATOM 1367 HB2 ARG 84 -29.140 42.838 -18.894 1.00 73.14 ATOM 1368 CG ARG 84 -27.313 41.753 -18.860 1.00 11.33 ATOM 1369 HG1 ARG 84 -26.993 42.133 -17.898 1.00 38.28 ATOM 1370 HG2 ARG 84 -26.450 41.615 -19.496 1.00 2.12 ATOM 1371 CD ARG 84 -27.995 40.402 -18.654 1.00 10.03 ATOM 1372 HD1 ARG 84 -28.309 40.021 -19.617 1.00 38.28 ATOM 1373 HD2 ARG 84 -28.862 40.545 -18.024 1.00 65.25 ATOM 1374 NE ARG 84 -27.103 39.428 -18.023 1.00 1.15 ATOM 1375 HE ARG 84 -26.156 39.657 -17.964 1.00 51.24 ATOM 1376 CZ ARG 84 -27.485 38.278 -17.536 1.00 14.54 ATOM 1377 NH1 ARG 84 -28.729 37.921 -17.578 1.00 61.25 ATOM 1378 HH11 ARG 84 -29.409 38.527 -17.985 1.00 25.35 ATOM 1379 HH12 ARG 84 -29.007 37.038 -17.205 1.00 61.35 ATOM 1380 NH2 ARG 84 -26.612 37.483 -17.006 1.00 65.15 ATOM 1381 HH21 ARG 84 -25.648 37.751 -16.976 1.00 25.52 ATOM 1382 HH22 ARG 84 -26.900 36.605 -16.628 1.00 40.43 ATOM 1383 C ARG 84 -28.667 45.079 -20.388 1.00 62.31 ATOM 1384 O ARG 84 -29.834 45.170 -19.992 1.00 34.13 ATOM 1385 N LYS 85 -28.215 45.739 -21.449 1.00 2.12 ATOM 1386 HN LYS 85 -27.275 45.631 -21.706 1.00 38.28 ATOM 1387 CA LYS 85 -29.068 46.631 -22.241 1.00 25.11 ATOM 1388 HA LYS 85 -29.558 47.313 -21.560 1.00 13.33 ATOM 1389 CB LYS 85 -28.201 47.439 -23.220 1.00 61.23 ATOM 1390 HB1 LYS 85 -27.644 46.751 -23.840 1.00 38.28 ATOM 1391 HB2 LYS 85 -27.501 48.038 -22.650 1.00 63.01 ATOM 1392 CG LYS 85 -28.995 48.371 -24.133 1.00 41.34 ATOM 1393 HG1 LYS 85 -29.511 49.100 -23.522 1.00 38.28 ATOM 1394 HG2 LYS 85 -29.723 47.788 -24.680 1.00 72.41 ATOM 1395 CD LYS 85 -28.105 49.112 -25.137 1.00 41.10 ATOM 1396 HD1 LYS 85 -27.271 49.550 -24.604 1.00 38.28 ATOM 1397 HD2 LYS 85 -28.684 49.901 -25.597 1.00 11.43 ATOM 1398 CE LYS 85 -27.559 48.202 -26.244 1.00 30.30 ATOM 1399 HE1 LYS 85 -27.109 48.823 -27.006 1.00 38.28 ATOM 1400 HE2 LYS 85 -28.383 47.654 -26.678 1.00 22.41 ATOM 1401 NZ LYS 85 -26.542 47.226 -25.756 1.00 2.35 ATOM 1402 HZ1 LYS 85 -26.181 46.660 -26.552 1.00 22.12 ATOM 1403 HZ2 LYS 85 -26.961 46.580 -25.061 1.00 3.51 ATOM 1404 HZ3 LYS 85 -25.744 47.726 -25.314 1.00 73.11 ATOM 1405 C LYS 85 -30.139 45.850 -23.025 1.00 51.21 ATOM 1406 O LYS 85 -29.821 44.933 -23.786 1.00 75.11 ATOM 1407 N LEU 86 -31.407 46.215 -22.841 1.00 24.23 ATOM 1408 HN LEU 86 -31.616 46.912 -22.180 1.00 38.28 ATOM 1409 CA LEU 86 -32.498 45.607 -23.609 1.00 14.42 ATOM 1410 HA LEU 86 -32.208 44.595 -23.855 1.00 52.34 ATOM 1411 CB LEU 86 -33.787 45.563 -22.777 1.00 25.43 ATOM 1412 HB1 LEU 86 -34.046 46.576 -22.502 1.00 38.28 ATOM 1413 HB2 LEU 86 -33.584 45.007 -21.873 1.00 4.44 ATOM 1414 CG LEU 86 -35.004 44.928 -23.474 1.00 72.41 ATOM 1415 HG LEU 86 -35.199 45.462 -24.393 1.00 61.51 ATOM 1416 CD1 LEU 86 -34.732 43.469 -23.834 1.00 61.23 ATOM 1417 HD11 LEU 86 -34.524 42.907 -22.934 1.00 13.01 ATOM 1418 HD12 LEU 86 -33.881 43.413 -24.497 1.00 44.34 ATOM 1419 HD13 LEU 86 -35.598 43.052 -24.327 1.00 10.31 ATOM 1420 CD2 LEU 86 -36.244 45.047 -22.594 1.00 51.24 ATOM 1421 HD21 LEU 86 -36.078 44.523 -21.663 1.00 74.41 ATOM 1422 HD22 LEU 86 -37.092 44.614 -23.104 1.00 30.42 ATOM 1423 HD23 LEU 86 -36.442 46.088 -22.389 1.00 1.55 ATOM 1424 C LEU 86 -32.722 46.381 -24.918 1.00 2.01 ATOM 1425 O LEU 86 -33.488 47.345 -24.970 1.00 22.14 ATOM 1426 N GLU 87 -32.013 45.971 -25.964 1.00 54.31 ATOM 1427 HN GLU 87 -31.442 45.182 -25.868 1.00 38.28 ATOM 1428 CA GLU 87 -32.053 46.660 -27.256 1.00 34.52 ATOM 1429 HA GLU 87 -32.379 47.677 -27.081 1.00 45.20 ATOM 1430 CB GLU 87 -30.638 46.690 -27.857 1.00 52.03 ATOM 1431 HB1 GLU 87 -30.321 45.674 -28.046 1.00 38.28 ATOM 1432 HB2 GLU 87 -29.966 47.134 -27.135 1.00 42.03 ATOM 1433 CG GLU 87 -30.515 47.475 -29.158 1.00 74.21 ATOM 1434 HG1 GLU 87 -30.873 48.482 -28.993 1.00 38.28 ATOM 1435 HG2 GLU 87 -31.129 46.998 -29.911 1.00 14.23 ATOM 1436 CD GLU 87 -29.082 47.541 -29.668 1.00 61.44 ATOM 1437 OE1 GLU 87 -28.596 46.535 -30.230 1.00 34.10 ATOM 1438 OE2 GLU 87 -28.432 48.596 -29.508 1.00 71.34 ATOM 1439 C GLU 87 -33.039 45.984 -28.226 1.00 1.11 ATOM 1440 O GLU 87 -32.700 45.011 -28.899 1.00 53.23 ATOM 1441 N THR 88 -34.272 46.492 -28.273 1.00 71.13 ATOM 1442 HN THR 88 -34.508 47.232 -27.673 1.00 38.28 ATOM 1443 CA THR 88 -35.289 45.965 -29.196 1.00 75.34 ATOM 1444 HA THR 88 -35.097 44.908 -29.333 1.00 33.11 ATOM 1445 CB THR 88 -36.729 46.125 -28.633 1.00 52.21 ATOM 1446 HB THR 88 -36.936 47.178 -28.505 1.00 10.03 ATOM 1447 OG1 THR 88 -36.842 45.472 -27.355 1.00 62.34 ATOM 1448 HG1 THR 88 -36.430 46.023 -26.675 1.00 2.52 ATOM 1449 CG2 THR 88 -37.765 45.537 -29.587 1.00 51.10 ATOM 1450 HG21 THR 88 -37.731 46.066 -30.529 1.00 61.50 ATOM 1451 HG22 THR 88 -38.751 45.635 -29.155 1.00 61.42 ATOM 1452 HG23 THR 88 -37.550 44.492 -29.756 1.00 14.33 ATOM 1453 C THR 88 -35.202 46.659 -30.563 1.00 70.51 ATOM 1454 O THR 88 -35.830 47.696 -30.794 1.00 14.11 ATOM 1455 N ILE 89 -34.394 46.094 -31.457 1.00 2.35 ATOM 1456 HN ILE 89 -33.912 45.276 -31.209 1.00 38.28 ATOM 1457 CA ILE 89 -34.194 46.662 -32.798 1.00 3.42 ATOM 1458 HA ILE 89 -34.917 47.456 -32.936 1.00 2.23 ATOM 1459 CB ILE 89 -32.770 47.271 -32.943 1.00 34.31 ATOM 1460 HB ILE 89 -32.053 46.482 -32.761 1.00 4.35 ATOM 1461 CG1 ILE 89 -32.540 48.396 -31.914 1.00 43.04 ATOM 1462 HG11 ILE 89 -31.526 48.759 -32.011 1.00 38.28 ATOM 1463 HG12 ILE 89 -32.676 47.999 -30.919 1.00 64.11 ATOM 1464 CG2 ILE 89 -32.540 47.793 -34.361 1.00 2.42 ATOM 1465 HG21 ILE 89 -31.563 48.253 -34.422 1.00 3.41 ATOM 1466 HG22 ILE 89 -33.296 48.525 -34.605 1.00 52.52 ATOM 1467 HG23 ILE 89 -32.593 46.973 -35.063 1.00 22.03 ATOM 1468 CD1 ILE 89 -33.473 49.579 -32.070 1.00 3.23 ATOM 1469 HD11 ILE 89 -33.332 50.027 -33.043 1.00 43.23 ATOM 1470 HD12 ILE 89 -33.258 50.309 -31.304 1.00 53.33 ATOM 1471 HD13 ILE 89 -34.496 49.247 -31.972 1.00 0.53 ATOM 1472 C ILE 89 -34.407 45.607 -33.898 1.00 41.22 ATOM 1473 O ILE 89 -33.597 44.690 -34.059 1.00 21.40 ATOM 1474 N VAL 90 -35.498 45.745 -34.651 1.00 71.24 ATOM 1475 HN VAL 90 -36.109 46.488 -34.467 1.00 38.28 ATOM 1476 CA VAL 90 -35.811 44.824 -35.749 1.00 74.13 ATOM 1477 HA VAL 90 -34.878 44.579 -36.242 1.00 42.50 ATOM 1478 CB VAL 90 -36.439 43.502 -35.225 1.00 70.43 ATOM 1479 HB VAL 90 -35.737 43.053 -34.532 1.00 62.24 ATOM 1480 CG1 VAL 90 -37.734 43.771 -34.466 1.00 34.54 ATOM 1481 HG11 VAL 90 -38.144 42.837 -34.105 1.00 52.34 ATOM 1482 HG12 VAL 90 -38.449 44.245 -35.124 1.00 34.45 ATOM 1483 HG13 VAL 90 -37.533 44.422 -33.628 1.00 14.14 ATOM 1484 CG2 VAL 90 -36.670 42.512 -36.368 1.00 10.34 ATOM 1485 HG21 VAL 90 -37.087 41.595 -35.975 1.00 35.14 ATOM 1486 HG22 VAL 90 -35.730 42.297 -36.855 1.00 43.22 ATOM 1487 HG23 VAL 90 -37.356 42.940 -37.086 1.00 15.53 ATOM 1488 C VAL 90 -36.749 45.478 -36.783 1.00 41.22 ATOM 1489 O VAL 90 -37.702 46.180 -36.426 1.00 33.21 ATOM 1490 N GLN 91 -36.461 45.242 -38.063 1.00 13.33 ATOM 1491 HN GLN 91 -35.691 44.670 -38.271 1.00 38.28 ATOM 1492 HA GLN 91 -37.218 46.881 -39.081 1.00 55.34 ATOM 1493 CB GLN 91 -36.600 45.410 -40.513 1.00 23.21 ATOM 1494 HB1 GLN 91 -36.527 44.331 -40.558 1.00 38.28 ATOM 1495 HB2 GLN 91 -35.603 45.827 -40.555 1.00 20.22 ATOM 1496 CG GLN 91 -37.372 45.887 -41.741 1.00 51.01 ATOM 1497 HG1 GLN 91 -37.440 46.967 -41.710 1.00 38.28 ATOM 1498 HG2 GLN 91 -38.364 45.467 -41.714 1.00 20.35 ATOM 1499 CD GLN 91 -36.713 45.481 -43.047 1.00 64.40 ATOM 1500 OE1 GLN 91 -36.037 44.461 -43.129 1.00 43.31 ATOM 1501 NE2 GLN 91 -36.920 46.262 -44.084 1.00 54.53 ATOM 1502 HE21 GLN 91 -37.480 47.058 -43.961 1.00 20.11 ATOM 1503 HE22 GLN 91 -36.489 46.025 -44.930 1.00 31.33 ATOM 1504 CA GLN 91 -37.246 45.804 -39.175 1.00 53.01 ATOM 1505 C GLN 91 -38.718 45.339 -39.144 1.00 72.32 ATOM 1506 OT1 GLN 91 -38.974 44.128 -39.348 1.00 38.28 ATOM 1507 OT2 GLN 91 -39.616 46.189 -38.933 1.00 38.28 ATOM 1508 OH2 TIP3 1 -29.426 23.580 0.738 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -30.050 23.025 1.251 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -29.879 23.706 -0.126 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -32.620 24.634 -0.162 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -33.323 25.298 -0.337 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -32.601 24.561 0.810 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -28.462 17.828 0.509 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -29.173 18.500 0.617 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -28.863 17.009 0.824 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -32.758 22.681 -3.992 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -33.424 22.387 -3.361 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -32.274 21.859 -4.230 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -30.510 19.616 1.026 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -30.759 19.779 0.085 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -30.774 20.432 1.482 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -34.494 24.963 -4.122 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -34.768 24.953 -5.067 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -33.737 24.345 -4.088 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -30.198 18.383 3.548 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -30.355 18.650 2.622 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -30.753 19.000 4.070 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -33.516 24.603 5.290 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -34.168 23.874 5.274 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -33.664 25.036 6.151 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -37.385 23.058 6.998 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -38.259 23.049 7.395 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -36.828 23.545 7.653 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -29.127 22.019 7.623 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -28.453 21.667 6.998 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -29.402 21.233 8.146 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -31.738 20.481 4.560 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -31.494 21.274 5.096 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -32.622 20.223 4.911 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -35.493 22.603 5.137 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -35.959 22.714 4.300 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -36.194 22.735 5.822 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -29.083 24.533 3.295 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -28.865 23.609 3.537 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -29.133 24.513 2.319 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -30.246 20.291 9.517 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -30.949 19.662 9.325 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -30.005 20.106 10.454 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -31.012 22.094 2.481 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -30.115 22.033 2.882 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -31.574 21.563 3.085 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -29.651 20.074 12.172 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -29.320 19.291 12.620 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -29.220 20.820 12.645 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -31.243 22.713 5.993 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -30.563 22.656 6.695 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -31.742 23.516 6.204 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -34.495 39.168 -43.178 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -35.214 38.683 -43.650 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -34.917 40.011 -42.902 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -35.554 41.578 -42.374 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -36.112 41.722 -41.578 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -36.153 41.785 -43.128 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -36.550 38.100 -44.563 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -37.089 38.713 -45.107 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -36.915 37.233 -44.753 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -33.026 39.132 -40.882 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -33.535 38.931 -41.698 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -32.300 39.699 -41.192 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -42.585 41.666 -38.268 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -42.606 42.641 -38.346 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -43.072 41.481 -37.438 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -40.472 40.434 -41.856 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -39.989 41.287 -41.869 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -40.444 40.126 -42.789 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -33.783 43.930 -38.613 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -33.484 43.156 -38.093 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -33.146 44.633 -38.378 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -38.706 39.939 -39.750 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -39.384 39.833 -40.444 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -39.171 40.429 -39.033 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -40.293 39.991 -44.564 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -40.990 40.091 -45.250 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -39.493 39.740 -45.071 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -36.918 41.930 -40.044 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -37.502 41.138 -39.930 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -37.374 42.631 -39.546 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -31.612 41.484 -41.885 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -32.296 42.191 -41.884 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -31.282 41.476 -40.958 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -43.923 41.279 -35.875 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -43.171 41.480 -35.265 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -44.359 40.525 -35.468 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -39.790 41.779 -38.109 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -40.764 41.728 -38.055 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -39.608 42.712 -38.336 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -29.955 42.268 -43.920 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -29.086 42.547 -43.557 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -30.455 41.963 -43.132 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -27.432 40.612 -44.229 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -26.889 39.820 -44.233 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -28.140 40.419 -44.872 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -33.789 38.009 -38.097 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -34.185 38.860 -38.374 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -33.230 37.757 -38.844 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -31.093 41.634 -39.219 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -31.741 41.587 -38.485 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -30.278 41.233 -38.845 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -35.961 42.777 -48.476 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -36.573 42.039 -48.672 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -35.221 42.351 -47.987 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -42.800 41.595 -40.982 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -42.786 41.534 -40.001 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -42.045 41.032 -41.266 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -47.053 41.280 -44.301 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -46.564 41.294 -43.464 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -46.968 40.376 -44.613 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -39.225 42.900 -41.699 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -38.327 42.958 -42.054 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -39.154 43.301 -40.794 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -37.931 39.942 -46.054 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -37.536 40.686 -45.551 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -37.791 40.185 -46.993 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -42.611 41.597 -49.125 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -43.073 42.371 -49.456 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -41.680 41.882 -49.055 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -33.596 43.313 -41.392 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -34.355 42.835 -41.787 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -33.845 43.428 -40.452 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -38.694 42.149 -30.440 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -37.820 42.578 -30.506 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -38.627 41.377 -31.040 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -35.685 39.456 -25.404 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -36.241 39.787 -26.142 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -35.477 38.550 -25.656 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -36.171 39.933 -30.194 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -36.495 39.819 -29.277 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -36.979 39.825 -30.748 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -34.458 39.635 -32.382 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -33.634 39.511 -31.901 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -35.114 39.835 -31.679 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -37.233 40.242 -27.575 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -38.155 40.095 -27.270 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -37.128 41.218 -27.547 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -36.043 42.686 -29.909 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -36.412 42.737 -29.010 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -35.873 41.734 -30.045 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.040 39.418 -34.934 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -31.998 39.499 -35.149 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.027 39.255 -33.986 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -31.644 37.193 -20.891 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -32.095 38.018 -20.631 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -31.848 36.576 -20.167 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -42.868 44.463 -35.207 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -42.265 44.307 -34.452 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -42.311 44.945 -35.852 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -38.322 39.845 -31.871 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -39.285 39.724 -32.012 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -37.905 39.361 -32.624 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -32.771 39.435 -19.753 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -32.634 40.300 -20.191 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -32.148 39.450 -18.992 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -42.296 41.137 -29.921 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -41.586 41.529 -29.369 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -43.096 41.190 -29.348 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -28.706 34.774 -19.061 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -27.845 34.410 -18.834 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -28.634 34.984 -20.015 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -33.749 39.801 -35.076 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -34.079 39.925 -34.160 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -34.412 39.208 -35.489 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -36.710 38.558 -33.664 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -35.890 38.838 -33.222 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -36.411 38.238 -34.539 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -35.082 40.105 -22.798 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -35.501 39.982 -23.681 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -34.236 39.654 -22.879 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -34.690 40.386 -39.122 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -35.442 40.862 -39.528 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -34.179 40.041 -39.889 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -41.863 41.583 -34.045 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -41.497 40.976 -33.373 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -41.329 42.393 -33.951 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -37.361 42.946 -27.419 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -38.263 42.989 -27.066 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -37.054 43.884 -27.403 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -42.480 43.514 -31.384 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -43.303 43.646 -31.912 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -42.544 42.591 -31.068 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -32.043 40.902 -23.751 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.632 41.156 -24.475 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -31.140 40.971 -24.141 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -40.775 45.443 -36.623 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -40.264 45.856 -37.361 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -40.144 45.408 -35.891 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -35.610 37.902 -36.117 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -34.875 37.761 -36.761 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -36.405 37.676 -36.615 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -41.104 39.833 -31.972 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -41.508 40.318 -31.214 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -41.594 39.005 -32.010 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -44.587 44.090 -33.034 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -44.908 45.009 -32.923 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -44.144 44.098 -33.906 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -29.642 40.852 -25.090 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -29.032 41.553 -24.761 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -29.531 40.884 -26.074 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -32.817 41.731 -21.286 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.444 41.419 -22.144 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -33.768 41.831 -21.464 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -30.382 35.666 -17.168 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -29.872 35.181 -17.862 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -31.249 35.852 -17.596 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -31.209 38.396 -24.721 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -31.735 38.996 -24.174 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -30.625 38.985 -25.223 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -39.835 38.833 -21.582 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -39.082 38.737 -20.964 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -40.533 38.304 -21.187 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -35.502 39.734 -20.085 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -35.489 39.817 -21.064 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -34.581 39.487 -19.854 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -39.662 40.443 -23.829 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -39.205 41.181 -23.383 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -39.800 39.784 -23.113 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -39.786 40.333 -26.527 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -40.459 39.646 -26.582 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -39.698 40.503 -25.553 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -33.103 41.559 -37.290 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -33.699 41.104 -37.930 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -33.264 41.097 -36.445 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -32.700 36.564 -18.354 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -32.812 37.511 -18.197 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -33.619 36.230 -18.468 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -31.399 25.928 -5.029 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -31.784 26.801 -5.243 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -30.885 25.689 -5.824 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -33.901 27.375 -7.340 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -33.352 27.735 -6.613 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -34.170 26.491 -7.024 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -29.324 30.366 -3.648 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -29.726 31.230 -3.912 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -28.980 29.995 -4.485 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -35.119 24.928 -6.784 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -35.871 25.352 -7.264 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -34.923 24.139 -7.303 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -35.371 31.849 -3.287 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -35.915 32.629 -3.022 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -35.448 31.828 -4.268 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -32.577 32.474 -5.958 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -33.514 32.241 -6.126 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -32.066 31.808 -6.465 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -31.810 43.341 -19.333 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -31.121 43.950 -19.658 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -32.079 42.829 -20.130 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -29.251 37.471 0.972 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -29.420 37.411 1.934 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -28.962 36.563 0.726 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -33.735 29.950 -2.135 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -33.802 29.077 -2.581 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -34.331 30.534 -2.654 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -46.265 23.737 -3.303 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -46.205 24.366 -2.585 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -45.797 22.965 -2.985 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -36.646 30.671 -7.832 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -36.242 29.897 -8.282 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -37.561 30.662 -8.125 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -30.346 32.783 -4.287 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -30.707 33.307 -3.548 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -31.055 32.795 -4.957 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -30.071 34.095 -1.561 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -29.828 34.389 -0.663 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -29.381 33.441 -1.790 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -31.079 37.624 -15.351 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -31.268 37.392 -14.410 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -30.931 36.758 -15.787 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.349 32.206 -6.018 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.702 33.067 -6.275 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.777 31.574 -6.648 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -31.342 41.945 -17.055 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -31.458 42.418 -17.910 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -32.006 42.358 -16.466 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -36.965 26.174 -8.346 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -36.602 27.047 -8.598 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -37.787 26.107 -8.841 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -35.570 28.489 -9.100 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -35.076 28.455 -9.927 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -34.937 28.128 -8.426 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -31.203 39.286 -17.537 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -31.267 38.740 -16.718 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -31.225 40.216 -17.209 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -36.427 34.158 -2.295 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -37.048 34.869 -2.111 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -35.578 34.476 -1.917 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -38.426 32.175 1.951 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -38.378 31.800 1.065 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -39.346 32.062 2.209 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -34.664 29.155 0.368 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -34.324 29.469 -0.496 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -35.073 29.941 0.758 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -32.420 28.432 -5.273 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -32.825 28.250 -4.396 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -32.042 29.320 -5.183 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -32.872 27.477 2.464 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -33.329 27.821 1.679 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -32.825 26.511 2.311 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -28.271 37.879 -4.936 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -28.789 37.414 -4.248 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -28.449 38.832 -4.767 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -31.368 37.486 -0.770 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -30.607 37.673 -0.188 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -31.844 36.771 -0.311 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -33.106 33.508 -3.462 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -32.876 33.374 -4.401 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -33.802 32.851 -3.293 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -31.339 37.289 -12.673 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -31.752 36.494 -12.256 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -31.754 38.045 -12.210 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -27.273 34.670 -6.040 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -28.227 34.704 -5.880 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -27.071 35.532 -6.469 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -32.023 35.069 -11.329 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -32.563 34.720 -10.616 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -31.194 34.540 -11.284 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -30.704 30.580 -6.879 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -29.827 30.953 -7.073 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -30.707 29.732 -7.336 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -33.645 27.359 -3.025 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -33.877 26.545 -3.528 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -33.774 27.101 -2.089 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -32.177 40.944 -14.182 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -32.899 40.960 -14.823 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -32.125 41.870 -13.857 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -34.201 20.246 5.682 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -34.723 19.922 6.420 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -34.615 21.107 5.454 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -28.065 25.540 12.710 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -27.331 25.533 13.365 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -28.806 25.108 13.180 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -32.436 24.644 2.688 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -31.998 23.772 2.650 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -32.838 24.670 3.588 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -31.153 28.186 12.664 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -31.175 27.497 13.376 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -32.079 28.427 12.540 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -29.927 28.552 8.715 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -29.309 29.304 8.795 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -29.715 27.987 9.495 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -36.102 35.465 3.752 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -36.797 36.078 4.020 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -35.626 35.940 3.031 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -29.684 31.365 11.179 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -29.020 30.863 10.678 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -29.607 31.019 12.094 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -33.608 35.030 5.027 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -34.569 35.066 4.855 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -33.282 35.906 4.731 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -36.049 32.786 3.215 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -36.156 33.742 3.409 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -36.889 32.539 2.766 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.973 34.616 -1.127 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -33.331 34.990 -0.485 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -33.425 34.403 -1.918 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -34.811 32.108 -0.359 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -34.629 33.067 -0.464 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -35.215 31.853 -1.203 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -34.525 26.544 -0.519 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -34.784 27.391 -0.101 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -35.338 26.253 -0.999 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -34.455 30.937 5.364 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -35.386 31.145 5.207 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -33.971 31.541 4.763 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -34.608 36.997 2.074 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -33.924 37.288 2.723 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -34.690 37.741 1.465 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -30.490 40.630 6.977 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -31.122 41.255 7.349 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -29.978 40.309 7.762 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -32.620 37.323 3.854 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -32.173 38.146 4.163 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -31.880 36.725 3.620 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -36.433 25.824 -2.321 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -37.290 25.718 -2.745 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -35.796 25.452 -2.969 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -32.439 35.565 0.973 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -31.855 35.224 1.682 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -33.225 35.893 1.447 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -33.360 32.699 3.556 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -34.308 32.740 3.284 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -33.216 33.539 4.040 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -28.564 39.548 11.838 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -28.527 40.013 12.677 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -27.864 38.866 11.908 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -32.483 30.785 7.419 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -33.310 31.001 6.944 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -31.879 30.504 6.722 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -32.919 28.721 4.884 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -33.153 28.376 3.995 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -33.615 29.386 5.074 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -30.617 32.351 8.825 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -31.378 31.818 8.511 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -30.427 31.995 9.725 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -35.871 24.423 8.769 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -35.921 24.735 9.675 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -35.037 24.813 8.427 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -32.708 28.240 8.677 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -32.981 29.129 8.398 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -31.770 28.346 8.915 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -37.471 47.858 -47.511 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -36.938 48.596 -47.884 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -37.158 47.062 -48.009 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -41.802 50.206 -44.932 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -41.152 50.265 -45.646 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -41.397 50.715 -44.197 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -36.574 44.043 -46.148 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -35.683 44.148 -45.757 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -36.398 43.686 -47.048 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -45.602 43.633 -44.393 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -46.290 42.999 -44.662 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -45.446 43.427 -43.451 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -41.944 40.976 -46.490 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -42.446 40.918 -47.330 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -42.427 41.668 -45.969 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -32.378 50.003 -39.560 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -31.595 49.752 -40.103 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -32.083 49.856 -38.632 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -36.333 50.134 -41.052 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -36.000 50.975 -40.691 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -37.307 50.199 -40.940 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -43.052 42.954 -45.051 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -42.633 43.302 -44.241 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -43.981 43.271 -44.993 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -43.399 50.127 -42.502 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -43.152 49.198 -42.290 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -43.248 50.199 -43.460 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -39.970 47.020 -46.673 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -39.159 47.400 -47.061 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -39.846 46.052 -46.764 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -39.247 44.375 -46.688 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -39.580 43.881 -45.906 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -38.273 44.387 -46.564 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -43.561 45.671 -40.344 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -42.918 45.036 -39.954 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -44.419 45.209 -40.274 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -39.236 48.062 -43.649 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -40.104 47.737 -43.971 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -39.333 48.065 -42.672 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -42.539 47.566 -42.033 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -42.363 47.227 -42.939 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -43.004 46.824 -41.584 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -40.784 51.395 -42.691 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -40.148 51.112 -41.998 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -41.652 51.341 -42.255 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -39.980 47.919 -41.052 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -40.948 47.843 -41.220 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -39.823 47.332 -40.277 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -33.548 53.578 -38.641 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -33.836 53.830 -37.741 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -34.378 53.364 -39.107 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -38.479 52.025 -44.076 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -38.515 51.364 -44.798 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -39.363 51.974 -43.662 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -36.124 45.726 -48.626 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -35.219 45.786 -48.249 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -36.197 44.802 -48.918 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -41.530 50.706 -34.761 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -41.937 50.270 -35.534 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -41.235 49.963 -34.200 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -30.416 55.098 -38.046 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -30.055 55.527 -38.825 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -30.581 54.177 -38.331 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -38.663 49.796 -45.656 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -38.370 49.266 -46.417 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -38.878 49.127 -44.966 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -45.201 42.433 -41.948 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -44.343 42.030 -41.689 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -45.466 42.951 -41.162 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -40.077 42.220 -48.132 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -40.595 41.805 -47.409 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -39.841 43.108 -47.779 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -41.705 47.457 -44.649 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -41.243 47.165 -45.468 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -41.945 48.390 -44.831 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -39.953 42.733 -44.643 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -40.238 41.795 -44.663 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -40.610 43.166 -44.056 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -35.246 47.787 -45.739 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -36.027 47.856 -46.315 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -35.506 48.270 -44.921 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -36.985 53.393 -42.201 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -36.495 53.911 -42.842 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -37.598 52.854 -42.748 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -43.519 51.082 -39.926 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -43.601 50.786 -40.859 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -44.416 51.050 -39.587 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -40.084 52.959 -34.595 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -40.619 52.129 -34.641 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -40.734 53.650 -34.454 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -41.087 50.266 -38.978 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -41.335 49.329 -38.888 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -41.932 50.716 -39.190 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -42.011 47.523 -38.908 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -41.193 46.974 -38.896 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -42.653 46.986 -39.416 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -39.054 50.445 -40.755 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -39.610 50.695 -39.984 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -39.282 49.503 -40.911 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -35.973 52.723 -39.750 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -36.419 53.084 -40.553 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -36.445 53.151 -38.999 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -42.126 48.595 -36.462 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -41.153 48.526 -36.404 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -42.338 48.205 -37.336 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -45.704 43.984 -39.678 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -46.617 44.190 -39.455 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -45.275 43.817 -38.803 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -34.042 54.321 -35.991 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -33.266 54.917 -35.946 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -33.957 53.761 -35.190 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -35.652 49.841 -47.847 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -35.458 50.097 -46.936 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -34.788 49.665 -48.235 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -36.425 53.635 -37.156 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -36.897 53.207 -36.416 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -35.627 54.019 -36.737 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -34.793 50.778 -38.249 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -33.942 50.691 -38.711 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -35.254 51.493 -38.733 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -33.878 45.810 -47.043 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -33.704 45.136 -46.364 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -34.211 46.579 -46.536 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -34.364 48.121 -40.124 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -35.127 48.616 -40.479 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -33.663 48.798 -40.033 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -29.790 41.751 -35.743 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -30.343 42.483 -35.385 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -30.262 40.939 -35.466 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -34.282 41.784 -46.521 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -33.706 41.106 -46.124 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -34.141 42.571 -45.960 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -32.569 45.940 -40.683 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -32.920 45.128 -41.090 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -33.341 46.535 -40.625 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -41.692 43.474 -42.671 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -40.823 43.439 -42.218 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -42.287 42.963 -42.082 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -34.102 44.060 -44.904 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -33.165 44.217 -44.620 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -34.625 44.189 -44.081 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -31.526 44.477 -44.208 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -31.017 43.659 -44.377 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -30.981 44.960 -43.562 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -37.346 42.086 -44.382 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -36.939 42.831 -44.874 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -38.304 42.305 -44.373 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -37.849 40.796 -48.726 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -38.672 41.326 -48.593 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -38.012 40.309 -49.540 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -41.751 44.249 -38.908 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -40.841 44.296 -39.278 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -41.660 44.645 -38.019 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -37.951 49.672 -28.333 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -38.858 49.828 -28.000 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -37.379 49.839 -27.558 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -36.247 50.495 -26.244 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -35.496 50.821 -25.700 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -37.045 50.687 -25.697 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -36.066 51.747 -28.797 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -36.752 51.166 -29.162 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -35.955 51.434 -27.884 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -43.903 44.517 -27.888 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -43.035 44.620 -28.332 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -44.550 44.844 -28.555 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -40.558 49.682 -27.384 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -40.655 48.814 -27.841 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -41.464 49.994 -27.279 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -36.025 52.436 -32.605 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -36.342 51.580 -32.243 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -36.570 52.568 -33.411 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -40.356 42.313 -28.359 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -39.661 42.226 -29.059 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -40.105 41.645 -27.684 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -35.013 53.739 -30.334 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -35.343 53.067 -29.695 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -35.383 53.451 -31.191 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -40.734 50.994 -21.802 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -41.401 50.269 -21.848 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -41.257 51.782 -21.639 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -38.952 48.428 -30.597 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -39.758 48.069 -30.187 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -38.462 48.827 -29.844 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -36.990 48.234 -34.075 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -36.735 48.627 -34.942 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -36.916 48.979 -33.444 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -35.294 50.457 -21.170 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -35.260 49.814 -21.909 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -35.707 51.243 -21.562 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -31.788 57.891 -34.254 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -32.555 58.394 -34.530 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -31.785 57.109 -34.848 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -32.742 48.628 -21.644 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -33.138 48.862 -20.781 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -33.492 48.684 -22.272 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -42.493 45.710 -25.846 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -43.204 45.330 -26.402 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -41.678 45.467 -26.307 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -39.336 44.012 -24.351 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -40.018 44.315 -23.717 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -38.779 43.406 -23.825 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -36.098 49.195 -36.462 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -35.487 48.471 -36.714 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -35.779 49.962 -36.989 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.365 47.771 -25.754 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.919 47.788 -24.948 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -36.233 48.714 -25.972 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -41.494 44.693 -29.157 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -40.998 43.914 -28.818 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -41.819 44.402 -30.040 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -37.752 47.937 -23.389 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -37.859 48.752 -22.842 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -38.638 47.818 -23.813 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -39.304 48.376 -36.403 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -38.723 47.588 -36.456 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -38.825 49.055 -36.901 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -35.069 48.632 -23.176 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -35.960 48.225 -23.187 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -34.626 48.260 -23.969 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -45.123 46.742 -32.513 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -44.348 47.067 -33.040 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -45.770 47.449 -32.588 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -43.135 47.686 -34.048 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -43.090 47.922 -34.996 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -42.223 47.827 -33.730 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -40.618 47.199 -28.547 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -40.200 46.799 -27.757 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -41.054 46.437 -28.991 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -45.215 45.179 -30.189 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -45.428 44.403 -30.720 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -45.119 45.896 -30.846 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -39.514 45.747 -26.445 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -38.614 45.690 -26.820 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -39.500 45.107 -25.691 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -38.690 46.593 -32.689 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -38.704 47.132 -31.872 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -38.007 47.025 -33.247 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -36.352 52.033 -23.304 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -36.588 52.930 -23.566 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -35.524 51.850 -23.793 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -37.495 52.301 -34.942 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -38.427 52.611 -34.821 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -37.587 51.387 -35.238 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -30.318 49.399 -20.579 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -30.659 49.470 -19.667 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -31.121 49.288 -21.124 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -32.002 54.118 -31.641 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -32.278 54.385 -30.741 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -31.458 54.880 -31.960 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -32.966 55.099 -29.171 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -33.203 56.012 -29.361 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -33.748 54.579 -29.476 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -36.928 49.904 -31.905 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -37.842 49.674 -31.657 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -36.382 49.231 -31.446 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -33.556 52.951 -33.635 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -34.432 52.736 -33.238 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -33.081 53.428 -32.919 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -40.134 47.818 -24.591 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -40.997 47.620 -24.171 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -40.084 47.194 -25.338 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -40.775 44.232 -33.376 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -40.028 44.796 -33.110 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -41.253 44.058 -32.537 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -38.154 50.213 -22.013 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -37.699 50.944 -22.478 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -39.083 50.538 -21.904 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -40.448 48.296 -33.869 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -40.006 48.390 -34.738 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -39.929 47.604 -33.413 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -31.744 51.118 -34.534 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -31.284 51.019 -33.679 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -32.472 51.753 -34.339 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -42.748 49.165 -21.979 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -42.602 48.368 -22.537 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -43.581 48.991 -21.536 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -42.438 46.845 -23.407 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -42.667 46.456 -24.285 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -42.032 46.098 -22.916 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -38.828 50.323 -25.292 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -39.206 49.790 -24.575 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -39.468 50.221 -26.023 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -37.339 48.362 -20.030 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -37.088 48.871 -19.254 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -37.569 49.043 -20.699 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -33.983 51.397 -24.871 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -33.368 51.316 -24.125 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -33.401 51.450 -25.650 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -40.915 44.884 -22.231 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -41.021 44.217 -21.546 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -40.246 45.510 -21.856 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -38.970 46.494 -21.287 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -38.468 46.764 -22.075 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -38.589 47.036 -20.570 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -37.909 42.225 -22.579 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -37.181 41.671 -22.886 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -37.645 42.480 -21.672 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -36.263 42.439 -20.188 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -36.091 41.511 -19.947 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -35.763 42.954 -19.527 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -37.916 38.569 -19.561 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -37.037 38.961 -19.760 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -38.167 38.968 -18.723 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -31.335 51.226 -26.778 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -30.996 50.831 -27.605 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -31.331 52.192 -26.962 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -34.098 49.046 -19.214 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -34.662 49.593 -19.811 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -34.485 48.148 -19.269 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -44.100 41.780 -27.999 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -44.086 42.761 -27.950 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -44.459 41.509 -27.150 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -44.661 43.608 -37.180 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -44.657 42.715 -36.781 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -44.140 44.147 -36.553 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -35.389 35.965 -18.621 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -35.870 35.251 -18.187 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -36.042 36.373 -19.204 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -29.083 43.543 -5.293 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -29.626 43.757 -6.069 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -28.250 44.036 -5.443 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -29.198 48.204 -5.149 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -29.347 48.835 -4.417 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -28.229 48.053 -5.137 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -33.327 43.363 -15.733 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -33.320 43.424 -14.761 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -32.732 44.101 -16.020 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -34.761 46.356 -19.506 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -34.761 45.462 -19.103 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -35.650 46.447 -19.883 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -31.734 48.030 -14.527 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -31.117 48.712 -14.866 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.563 48.223 -14.973 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -30.399 47.734 -10.957 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -29.988 48.605 -10.949 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -30.941 47.717 -10.144 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -31.844 46.577 -18.757 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -31.243 46.149 -19.394 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -32.731 46.486 -19.161 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -32.888 45.171 -10.148 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -33.229 44.267 -10.278 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -32.672 45.479 -11.055 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -34.379 43.779 -18.441 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -33.453 43.677 -18.748 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -34.323 43.647 -17.475 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -31.837 46.079 -12.552 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -31.922 46.649 -13.350 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -31.214 46.579 -11.973 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -28.264 39.934 1.608 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -28.605 39.101 1.209 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -27.820 39.640 2.437 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -32.204 43.454 -13.142 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -32.372 43.092 -12.240 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -32.105 44.425 -12.996 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.101 43.469 -16.372 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -29.044 43.449 -15.385 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -29.789 42.806 -16.582 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -29.697 36.543 -2.846 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -29.937 35.628 -2.591 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -30.325 37.101 -2.340 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -32.551 42.374 -10.671 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -32.557 41.399 -10.763 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -31.816 42.551 -10.049 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -10.291 3.824 17.252 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -10.785 4.149 18.013 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -9.825 3.025 17.593 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -14.720 26.909 -16.867 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -14.871 26.834 -17.813 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -15.608 26.761 -16.469 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -9.734 16.832 -13.999 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -9.033 16.754 -13.319 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -9.588 16.054 -14.581 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -17.614 9.841 -13.152 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -16.922 10.341 -13.637 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -18.107 9.391 -13.845 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -18.046 14.616 -7.049 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -18.124 13.745 -7.489 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -17.851 14.393 -6.112 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -24.480 21.982 -5.867 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -24.123 21.089 -5.781 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -23.973 22.376 -6.605 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -21.081 15.755 -8.378 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -21.152 15.236 -9.212 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -20.162 16.089 -8.385 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -12.841 5.041 -8.032 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -12.586 4.268 -8.550 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -12.343 5.785 -8.450 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -20.124 11.952 -6.056 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -20.357 11.019 -6.151 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -19.457 12.102 -6.766 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -15.568 12.667 -11.197 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -16.436 12.248 -10.994 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -14.958 12.288 -10.533 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -12.161 6.440 -2.767 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -11.595 5.702 -2.529 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -12.267 6.356 -3.742 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -18.448 16.717 -8.612 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -18.340 15.957 -7.986 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -17.532 16.957 -8.848 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -22.230 18.162 -9.221 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -22.813 18.430 -8.506 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -21.868 17.299 -8.924 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -11.723 8.475 -6.653 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -11.265 8.201 -7.467 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -11.073 9.051 -6.189 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -24.883 23.695 -3.732 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -24.274 24.404 -4.023 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -24.766 22.990 -4.400 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -12.228 6.059 -5.459 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -12.094 6.963 -5.811 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -12.401 5.521 -6.250 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -16.628 18.885 -10.798 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -16.148 18.284 -10.186 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -17.490 19.042 -10.353 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -17.703 16.293 -14.142 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -17.215 16.407 -14.987 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -17.380 15.426 -13.795 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -14.544 14.967 -9.909 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -13.723 14.826 -10.420 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -15.138 14.267 -10.223 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -25.209 18.319 -5.275 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -24.995 18.715 -4.403 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -24.781 17.438 -5.242 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -16.840 13.832 -13.356 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -16.302 13.644 -12.563 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -16.735 13.036 -13.906 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -26.114 15.897 -2.908 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -25.649 15.929 -3.760 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -25.492 15.424 -2.318 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -20.942 18.996 -11.561 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -20.746 18.148 -12.014 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -21.596 18.753 -10.870 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -16.740 19.467 -15.934 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -16.818 20.397 -16.166 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -17.045 19.424 -15.004 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -27.599 18.920 -6.425 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -27.637 18.273 -7.137 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -26.707 18.785 -6.023 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -17.995 24.545 -9.683 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -17.941 23.581 -9.867 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -18.901 24.667 -9.359 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -17.471 18.946 -13.337 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -17.643 18.023 -13.628 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -17.158 18.845 -12.405 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -17.239 10.970 -1.308 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -17.928 11.103 -1.985 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -16.590 10.364 -1.749 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -28.930 18.846 -4.012 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -28.438 18.692 -4.843 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -28.328 18.518 -3.309 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -18.829 11.410 -3.657 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -18.550 10.544 -4.041 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -19.389 11.804 -4.361 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -12.386 14.392 -11.602 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -12.143 15.069 -12.262 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -11.746 14.527 -10.867 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -15.876 11.449 -14.633 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -15.627 11.190 -15.530 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -15.056 11.842 -14.261 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -19.749 13.373 -1.909 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -19.481 12.593 -2.432 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -18.995 13.532 -1.311 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -18.284 12.142 -8.110 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -18.366 12.014 -9.073 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -17.363 11.853 -7.908 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -15.790 8.165 -5.276 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -15.592 7.387 -5.833 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -15.196 8.864 -5.625 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -27.181 18.183 -1.968 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -26.943 17.262 -2.229 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -27.625 18.080 -1.100 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -18.015 11.402 -10.843 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -18.059 10.532 -10.390 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -18.088 11.174 -11.788 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -19.329 8.760 -7.872 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -18.811 8.831 -8.701 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -20.054 8.173 -8.099 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -17.980 8.745 -10.326 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -17.864 8.715 -11.290 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -17.171 8.293 -9.973 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -19.021 19.215 -9.633 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -19.066 18.349 -9.172 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -19.778 19.194 -10.257 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -21.839 14.670 -3.169 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -21.619 14.569 -4.124 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -21.094 14.226 -2.703 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -13.730 12.642 -13.338 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -13.170 13.387 -13.039 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -14.334 12.489 -12.587 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -15.814 21.198 -12.634 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -14.862 21.081 -12.834 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -16.228 20.380 -12.951 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -20.736 14.740 -10.893 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -20.525 15.435 -11.548 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -20.132 14.023 -11.107 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -23.270 23.317 -8.065 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -23.317 24.245 -7.736 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -23.862 23.305 -8.826 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -12.360 16.129 -13.856 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -12.730 16.938 -13.477 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -11.420 16.354 -14.029 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -13.056 21.130 -12.998 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -12.590 20.275 -13.023 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -12.559 21.652 -12.332 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -15.707 17.192 -8.871 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -15.249 16.378 -9.201 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -15.613 17.144 -7.901 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -31.031 20.568 -1.493 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -30.889 21.535 -1.450 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -31.128 20.386 -2.444 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -18.313 9.343 -5.328 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -18.643 9.132 -6.227 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -17.458 8.868 -5.269 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -20.149 16.660 -12.883 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -19.260 16.537 -13.287 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -20.761 16.541 -13.618 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -23.924 15.888 -4.776 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -23.506 15.400 -5.504 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -23.336 15.722 -4.016 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -15.717 9.231 -2.661 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -15.792 8.775 -3.524 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -14.878 8.892 -2.284 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -14.431 13.192 -4.440 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -13.678 12.687 -4.817 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -15.210 12.769 -4.816 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -30.708 23.307 -1.597 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -30.613 23.543 -2.542 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -31.508 23.804 -1.300 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -16.186 16.836 -16.415 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -16.205 16.737 -17.371 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -16.306 17.805 -16.271 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -26.403 19.151 1.885 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -26.711 18.977 2.799 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -27.031 18.656 1.323 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -24.582 18.952 -2.689 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -25.488 18.734 -2.381 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -24.002 18.405 -2.125 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -13.390 14.905 -16.149 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -13.046 15.278 -15.310 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -14.285 15.260 -16.214 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -21.426 14.474 -5.890 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -21.270 14.932 -6.743 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -20.998 13.601 -6.006 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -17.418 13.587 -0.310 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -17.254 12.632 -0.442 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -17.768 13.650 0.604 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -19.270 11.082 1.726 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -19.910 10.645 1.156 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -18.413 10.675 1.483 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -13.478 11.940 -9.459 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -12.805 12.428 -8.918 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -12.971 11.621 -10.236 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -11.411 13.143 -16.794 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -12.146 13.768 -16.579 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -11.372 13.149 -17.757 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -15.730 7.631 -9.395 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -15.590 7.116 -8.576 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -14.880 8.096 -9.535 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -15.655 11.549 -7.847 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -15.270 10.840 -7.292 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -14.911 11.837 -8.410 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -15.194 6.128 -7.126 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -15.720 5.364 -6.868 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -14.336 5.742 -7.413 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -14.353 8.666 1.219 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -14.557 7.739 1.387 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -14.015 8.672 0.292 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -28.227 21.494 -3.650 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -28.884 22.099 -4.058 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -28.582 20.599 -3.830 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -31.084 20.481 -4.378 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -30.544 19.681 -4.197 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -30.701 20.837 -5.210 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -29.401 21.087 -6.501 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -28.788 21.835 -6.626 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -28.833 20.298 -6.587 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.335 22.987 -6.541 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -26.767 22.388 -6.028 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -26.718 23.673 -6.874 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -19.266 21.086 -12.525 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -18.640 20.446 -12.910 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -20.048 20.543 -12.296 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -15.093 13.154 11.249 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -14.359 13.313 11.872 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -15.873 13.016 11.835 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -22.348 17.559 13.887 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -23.136 17.922 14.304 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -22.519 17.660 12.924 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -20.451 17.200 9.769 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -20.900 16.487 9.259 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -20.476 17.972 9.165 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -13.288 5.422 13.426 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -12.444 5.299 13.915 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -13.537 4.533 13.165 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -20.470 9.648 8.124 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -19.556 9.312 8.211 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -20.470 10.116 7.284 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -15.674 9.219 9.531 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -16.510 9.120 9.035 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -15.259 10.008 9.146 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -25.297 11.488 8.784 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -24.343 11.325 8.971 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -25.650 10.615 8.590 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -15.859 7.291 11.436 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -15.105 6.720 11.249 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -15.775 8.024 10.777 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -23.678 21.319 16.109 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -23.234 21.404 16.978 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -24.047 20.408 16.119 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -26.399 17.138 6.104 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -25.764 17.195 6.844 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -26.285 16.227 5.767 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -17.015 19.140 9.841 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -17.530 18.500 10.379 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -17.348 19.999 10.113 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -14.749 7.705 13.942 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -15.300 7.576 13.149 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -14.107 6.966 13.906 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -15.250 17.296 10.996 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -16.062 16.926 11.377 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -15.566 18.037 10.442 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -20.809 14.553 4.055 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -20.846 15.397 4.538 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -21.697 14.167 4.189 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -12.949 13.004 15.403 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -12.015 12.801 15.572 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -12.980 13.224 14.449 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -26.158 14.431 5.671 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -26.150 14.205 6.626 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -27.110 14.424 5.429 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -22.636 18.248 11.260 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -21.916 17.863 10.727 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -22.335 19.165 11.445 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -18.286 17.278 11.426 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -19.047 17.108 10.825 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -18.707 17.433 12.300 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -16.434 14.946 3.257 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -16.676 15.872 3.434 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -17.258 14.543 2.917 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -26.320 21.838 15.480 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -26.506 22.583 16.093 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -25.351 21.717 15.547 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -28.801 14.868 4.977 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -29.590 14.329 4.860 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -29.114 15.775 4.870 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -28.167 21.983 13.457 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -27.658 22.373 12.708 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -27.500 21.887 14.175 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -20.131 20.522 14.584 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -20.044 21.494 14.666 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -20.383 20.233 15.470 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -14.900 12.095 17.075 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -14.271 12.515 16.438 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -15.038 11.193 16.711 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -16.971 10.077 13.739 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -16.166 9.810 13.276 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -17.635 9.400 13.472 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -14.250 13.601 4.158 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -13.865 13.185 3.380 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -15.045 14.075 3.812 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -12.960 13.836 6.469 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -13.519 13.761 5.652 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -12.068 13.571 6.166 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -14.889 11.481 7.822 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -14.095 11.162 7.350 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -15.629 11.066 7.339 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -17.007 12.777 13.141 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -17.082 11.828 13.384 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -17.534 13.233 13.804 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -18.282 7.957 12.615 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -17.469 7.612 12.192 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -18.980 7.386 12.286 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -23.613 14.024 4.509 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -24.359 14.120 5.132 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -24.016 14.129 3.646 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -22.678 10.798 9.310 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -22.004 10.212 8.901 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -22.163 11.399 9.857 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -12.893 14.093 12.812 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -12.785 14.411 11.892 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -12.593 14.852 13.358 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -18.780 13.756 2.256 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -19.470 14.124 2.854 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -19.021 12.809 2.170 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -26.071 14.072 8.422 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -26.864 13.980 8.959 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -25.629 13.190 8.496 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -19.622 17.886 13.755 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -19.658 18.843 13.959 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -20.559 17.593 13.825 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -17.463 10.283 3.894 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -17.042 10.212 3.014 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -18.309 10.718 3.714 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -21.896 15.810 7.932 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -21.613 15.981 7.016 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -22.862 15.938 7.910 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -21.664 20.647 12.240 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -22.212 21.384 12.567 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -21.033 20.483 12.967 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -17.735 16.531 15.259 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -18.406 16.979 14.699 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -16.899 16.702 14.812 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -23.004 22.593 13.796 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -23.809 23.040 13.506 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -23.265 22.145 14.635 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -27.610 18.815 4.334 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -27.254 18.145 4.968 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -28.538 18.527 4.170 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -15.170 9.593 15.849 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -15.968 9.913 15.388 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -14.846 8.861 15.272 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -27.331 21.073 5.807 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -26.385 21.297 5.931 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -27.314 20.177 5.399 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -24.632 16.491 8.184 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -24.458 16.829 9.074 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -25.095 15.639 8.334 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -30.092 23.908 13.864 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -30.886 23.472 13.532 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -29.417 23.194 13.882 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -21.394 23.631 17.383 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -21.050 23.543 16.466 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -20.614 23.935 17.904 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -20.817 17.391 18.104 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -21.240 17.026 17.322 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -19.963 16.906 18.162 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -24.125 19.699 0.431 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -23.822 18.841 0.057 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -24.900 19.457 0.987 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -14.130 17.665 14.490 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -14.507 18.000 13.669 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -13.366 17.124 14.199 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -23.466 17.334 -0.680 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -22.562 17.048 -0.450 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -23.956 16.496 -0.801 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -24.024 14.810 -1.536 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -23.886 14.072 -0.934 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -23.185 14.857 -2.054 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -18.518 15.869 17.797 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -17.842 15.236 18.091 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -18.244 16.106 16.882 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -16.827 13.611 18.336 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -16.082 13.169 17.869 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -17.600 13.092 18.089 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -28.509 21.819 3.465 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -28.227 21.621 4.386 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -28.134 21.091 2.944 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -29.668 23.023 10.055 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -30.067 22.182 10.333 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -29.406 22.861 9.120 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -11.796 15.851 7.949 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -12.295 15.295 7.322 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -10.867 15.603 7.798 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -11.785 16.385 13.811 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -11.440 16.650 14.688 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -10.987 16.390 13.230 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -10.378 14.098 1.592 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -11.079 14.720 1.350 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -9.871 14.567 2.279 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -16.710 10.110 1.256 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -16.812 10.393 0.322 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -15.850 9.637 1.269 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -16.095 9.697 6.130 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -16.573 9.907 5.288 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -15.158 9.648 5.868 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -12.901 15.518 10.434 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -13.448 16.273 10.726 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -12.355 15.882 9.700 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -13.209 9.119 17.859 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -13.864 9.126 17.134 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -13.205 10.037 18.185 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -20.271 25.814 13.554 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -21.154 26.096 13.236 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -19.886 26.628 13.942 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -20.555 23.340 14.763 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -21.422 23.131 14.349 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -20.295 24.195 14.351 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -9.544 6.505 16.806 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -10.293 6.690 16.220 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -9.492 5.529 16.825 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -25.390 19.205 15.989 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -25.879 18.556 16.504 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -26.052 19.885 15.766 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -22.885 26.680 12.955 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -23.255 27.003 12.107 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -23.618 26.203 13.368 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -27.211 23.350 11.277 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -28.004 23.212 10.724 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -27.344 24.236 11.666 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -17.855 8.653 7.896 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -17.913 7.710 7.706 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -17.261 9.005 7.192 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -20.946 19.320 24.936 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -21.447 18.522 25.128 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -20.565 19.158 24.045 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -15.441 14.112 23.049 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -15.663 14.950 23.470 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -14.941 13.623 23.736 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -16.009 12.560 20.840 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -15.866 13.169 21.600 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -16.343 13.138 20.129 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -18.500 21.704 22.676 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -18.836 22.481 22.181 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -18.931 21.777 23.554 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -13.830 21.453 22.940 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -14.703 21.011 22.826 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -13.668 21.405 23.895 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -13.127 11.566 19.133 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -13.850 11.958 18.600 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -13.573 11.254 19.950 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -19.775 19.213 22.437 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -20.334 19.132 21.623 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -19.366 20.096 22.356 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -11.103 9.016 19.651 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -11.910 8.828 19.120 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -10.785 9.872 19.300 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -15.321 20.949 25.531 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -16.127 21.380 25.875 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -15.622 20.491 24.723 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -16.252 20.172 23.011 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -17.059 20.702 22.819 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -16.541 19.240 22.880 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -17.619 22.297 26.395 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -18.438 22.142 25.867 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -17.864 22.035 27.291 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -22.457 21.430 18.655 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -23.124 21.952 19.126 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -21.858 22.102 18.270 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -21.183 19.261 20.092 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.629 19.991 19.628 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -21.095 18.561 19.406 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -12.672 21.195 20.422 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -13.027 21.089 21.326 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -12.658 20.284 20.061 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -17.475 17.668 22.685 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -18.348 18.115 22.700 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -17.599 16.933 22.077 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -19.715 24.026 21.769 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -20.543 23.861 22.264 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -19.387 24.876 22.129 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -14.214 12.600 25.098 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -13.748 11.949 24.516 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -14.853 12.066 25.584 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -13.072 10.756 23.475 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -13.618 10.554 22.687 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -12.178 10.446 23.230 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -11.872 12.946 26.609 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -12.749 12.811 26.206 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -11.531 13.738 26.175 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -14.574 10.342 21.206 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -15.142 9.595 20.988 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -15.175 11.127 21.152 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -19.271 24.236 19.007 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -19.424 24.012 19.948 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -18.798 25.086 19.041 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -13.766 22.840 26.820 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -14.142 21.993 26.505 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -14.452 23.502 26.589 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -26.114 23.988 17.148 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -26.634 24.655 17.615 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -25.269 23.940 17.660 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -28.784 40.739 -38.085 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -28.976 41.195 -37.240 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -28.835 39.784 -37.853 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -32.550 40.324 -44.715 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -32.170 40.828 -43.980 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -33.228 39.757 -44.289 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -29.939 40.338 -45.781 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -29.874 41.158 -45.243 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -30.860 40.044 -45.646 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -27.622 42.936 -42.639 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -27.291 42.148 -43.122 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -27.460 42.724 -41.694 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -28.936 39.205 -48.036 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -29.530 39.586 -48.681 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -29.232 39.584 -47.183 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -28.099 39.045 -23.508 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -28.643 39.631 -24.065 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -28.721 38.347 -23.214 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -17.645 38.235 -25.534 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -18.289 38.340 -24.793 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -17.882 37.393 -25.936 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -21.785 35.334 -21.334 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -22.715 35.574 -21.430 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -21.804 34.476 -20.901 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -25.830 37.577 -23.352 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -25.918 37.075 -24.170 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -26.609 38.185 -23.357 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -19.416 38.620 -23.502 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -19.679 38.139 -22.682 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -20.270 38.966 -23.861 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -23.866 39.266 -22.560 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -24.461 40.041 -22.449 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -24.464 38.552 -22.873 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -23.814 32.202 -16.772 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -24.099 33.093 -17.071 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -24.163 31.606 -17.440 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -28.111 35.208 -21.717 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -28.668 35.891 -22.163 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -28.229 34.420 -22.259 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -29.811 36.952 -22.895 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -30.351 37.205 -23.676 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -30.449 36.989 -22.142 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -22.609 38.628 -20.178 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -21.693 38.417 -20.449 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -23.047 38.900 -21.011 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -26.001 45.845 -30.614 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -25.921 44.994 -30.135 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -26.949 46.094 -30.502 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -25.925 36.660 -20.720 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -26.703 36.101 -20.911 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -25.723 37.081 -21.578 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -24.657 34.785 -17.307 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -24.501 35.588 -17.845 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -24.424 35.059 -16.397 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -20.208 37.565 -21.147 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -20.686 36.708 -21.236 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -19.520 37.388 -20.466 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -23.877 32.941 -14.128 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -23.341 32.344 -13.562 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -23.776 32.568 -15.033 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -18.910 41.033 -22.260 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -18.904 40.880 -21.303 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -19.081 40.144 -22.644 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -21.741 39.814 -24.232 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -22.124 40.431 -24.882 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -22.488 39.606 -23.630 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -24.502 41.598 -31.479 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -25.384 41.873 -31.815 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -24.110 41.120 -32.215 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -17.173 42.037 -19.667 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -16.268 41.740 -19.899 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -17.363 42.732 -20.305 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -24.273 37.201 -18.574 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -23.602 37.756 -19.040 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -24.952 37.023 -19.266 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -29.157 43.856 -30.221 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -29.261 43.774 -31.191 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -29.105 44.824 -30.073 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -13.164 40.679 -24.430 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -13.956 40.113 -24.309 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -12.807 40.407 -25.280 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -27.665 41.618 -29.978 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -27.398 41.500 -30.911 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -28.276 42.393 -30.001 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -18.228 37.136 -19.286 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -18.395 36.435 -18.649 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -17.624 37.749 -18.816 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -27.909 35.561 -15.479 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -27.418 34.942 -14.881 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -28.703 35.063 -15.735 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -22.159 36.892 -16.485 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -22.763 37.170 -17.192 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -22.748 36.504 -15.804 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -18.995 34.903 -15.354 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -18.806 34.046 -14.903 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -19.901 34.804 -15.677 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -9.534 29.152 -14.975 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -9.638 29.348 -15.912 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -8.589 28.874 -14.891 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -26.925 42.128 -32.691 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -27.593 42.845 -32.632 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -26.817 41.991 -33.661 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -29.363 41.163 -27.769 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -28.633 41.055 -28.410 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -29.978 41.759 -28.213 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -12.345 37.573 -20.774 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -13.185 38.061 -20.895 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -11.971 37.527 -21.658 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -14.580 41.472 -20.471 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -14.494 40.503 -20.591 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -14.340 41.842 -21.352 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -14.214 23.675 -13.771 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -13.798 22.796 -13.862 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -13.728 24.243 -14.410 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -20.147 43.060 -23.667 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -20.105 42.841 -24.621 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -19.853 42.238 -23.219 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -16.963 41.662 -24.089 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -16.671 42.575 -23.883 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -17.645 41.472 -23.408 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -28.128 42.959 -24.072 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -27.355 43.536 -24.227 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -28.877 43.585 -23.993 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -25.858 43.496 -29.023 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -26.447 42.765 -29.309 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -25.008 43.057 -28.835 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -23.525 41.960 -28.975 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -23.832 41.978 -29.919 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -23.451 41.019 -28.774 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -31.130 43.861 -34.624 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -32.077 44.050 -34.436 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -30.783 44.710 -34.979 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -27.113 42.269 -35.403 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -28.050 42.006 -35.486 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -26.988 42.926 -36.111 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -16.319 25.344 -13.298 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -15.616 24.688 -13.517 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -17.140 24.793 -13.206 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -14.735 38.844 -21.442 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -14.981 38.983 -22.385 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -15.509 38.410 -21.057 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -28.336 28.613 -5.578 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -28.188 28.037 -6.360 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -28.645 27.995 -4.883 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -27.600 30.609 -7.351 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -27.762 29.960 -6.639 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -27.128 30.097 -8.041 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -28.845 36.501 -11.617 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -29.764 36.739 -11.852 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -28.308 36.904 -12.329 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -18.538 32.431 -14.238 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -19.057 31.719 -13.820 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -17.622 32.088 -14.243 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -15.701 32.315 -10.273 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -15.592 31.512 -10.829 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -15.139 32.975 -10.697 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -23.132 28.641 -10.286 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -22.582 27.840 -10.342 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -23.310 28.738 -9.334 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -29.596 28.578 -1.639 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -29.836 27.779 -2.145 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -29.477 29.273 -2.333 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -26.798 37.207 -7.112 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -27.411 37.467 -6.378 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -26.109 37.886 -7.091 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -16.762 39.097 -14.245 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -17.341 39.550 -14.895 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -16.724 38.171 -14.566 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -17.771 37.853 -9.982 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -17.727 38.441 -9.192 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -17.907 38.475 -10.727 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -27.932 32.399 -2.116 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -27.247 32.932 -2.574 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -28.149 31.695 -2.749 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -16.782 36.560 -15.523 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -17.515 35.904 -15.457 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -15.975 36.016 -15.570 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -18.546 23.832 -13.128 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -18.758 22.882 -13.059 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -19.269 24.274 -12.628 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -25.790 32.744 -7.309 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -26.284 33.457 -6.853 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -26.439 32.016 -7.380 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -29.134 26.685 -3.704 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -28.443 26.048 -3.958 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -29.967 26.285 -4.046 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -23.649 28.541 -7.576 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -23.619 27.570 -7.402 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -23.137 28.924 -6.852 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -22.365 31.051 -12.649 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -21.436 30.790 -12.809 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -22.741 30.303 -12.164 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -14.837 41.505 -1.834 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -15.210 42.188 -2.437 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -13.872 41.697 -1.824 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -26.190 34.070 -3.583 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -26.624 34.215 -4.452 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -25.253 34.265 -3.752 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -26.021 28.983 -8.944 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -25.205 28.913 -8.402 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -25.693 29.053 -9.854 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -17.150 26.374 -15.714 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.010 25.959 -15.836 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -16.869 26.087 -14.821 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -15.926 31.447 -14.249 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -15.713 30.901 -15.016 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -15.203 32.124 -14.228 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -15.598 30.098 -11.904 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -15.768 30.611 -12.727 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -15.130 29.292 -12.221 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -14.162 39.324 -16.403 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -14.154 39.786 -15.546 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -13.297 38.869 -16.435 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -15.826 35.852 -10.315 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -15.258 36.013 -11.096 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -16.302 36.697 -10.186 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -19.739 30.122 -13.070 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -19.204 29.696 -12.358 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -19.760 29.463 -13.774 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -27.321 35.740 -1.667 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -26.891 35.160 -2.326 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -28.060 36.153 -2.158 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -29.572 33.874 -11.102 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -29.173 34.756 -11.258 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -28.848 33.258 -11.247 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -16.641 26.553 -10.864 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -17.154 25.828 -10.428 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -16.466 26.208 -11.765 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -21.733 26.337 -9.336 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -21.106 25.618 -9.127 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -22.379 26.306 -8.602 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -20.515 23.953 -8.591 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -21.382 23.522 -8.454 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -19.923 23.496 -7.968 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -20.478 24.776 -11.448 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -20.430 24.144 -10.715 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -21.087 25.460 -11.133 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -29.210 25.066 -6.501 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -28.824 25.718 -7.119 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -28.618 24.286 -6.575 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -32.010 39.811 -11.692 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -32.197 40.132 -12.599 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -31.055 39.994 -11.566 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -26.140 40.990 0.246 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -26.117 41.941 0.411 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -26.983 40.695 0.650 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -18.510 40.039 -16.196 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -19.153 39.344 -15.907 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -18.012 39.612 -16.923 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -16.562 38.489 -17.501 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -15.700 38.918 -17.294 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -16.653 37.799 -16.812 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -28.105 31.265 0.396 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -27.662 31.912 0.979 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -28.065 31.680 -0.492 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -23.883 35.635 -14.753 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -24.293 36.071 -13.975 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -23.759 34.703 -14.465 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -19.828 37.806 -15.407 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -20.696 37.562 -15.805 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -19.465 36.964 -15.096 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -25.488 36.457 -12.612 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -26.153 37.068 -12.987 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -25.619 36.527 -11.640 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -26.401 34.100 -13.730 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -25.638 33.502 -13.865 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -26.037 34.829 -13.190 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -13.965 35.678 -15.607 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -13.271 36.131 -15.092 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -13.750 35.890 -16.526 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -27.682 37.738 -13.788 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -27.771 37.056 -14.489 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -28.180 38.504 -14.134 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -29.317 40.410 -11.776 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -29.250 40.223 -12.739 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -28.646 39.842 -11.377 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -26.545 36.663 -9.994 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -27.456 36.540 -10.322 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -26.646 36.725 -9.026 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -13.917 40.690 -6.917 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -14.540 41.276 -6.466 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -14.349 40.501 -7.783 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -11.915 36.815 -13.863 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -11.090 36.285 -13.751 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -11.744 37.358 -14.673 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -14.342 36.311 -12.617 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -14.791 35.814 -13.315 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -13.428 36.428 -12.959 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -13.837 33.179 -14.387 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -13.895 33.988 -14.932 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -12.884 33.127 -14.137 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -13.119 25.928 -14.864 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -13.535 26.349 -15.650 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -12.382 26.523 -14.633 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -18.027 29.005 -11.276 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -17.194 29.501 -11.414 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -17.733 28.083 -11.139 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -26.287 25.953 -4.278 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -26.250 25.080 -3.833 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -25.338 26.140 -4.505 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -13.325 25.001 -11.547 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -12.814 25.798 -11.736 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -13.587 24.667 -12.431 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -17.384 39.827 -8.116 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -16.521 40.021 -8.528 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -17.647 40.674 -7.698 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -30.092 23.466 -4.315 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -29.859 24.040 -5.068 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -31.061 23.355 -4.391 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -27.700 27.099 -7.786 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -27.232 27.755 -8.344 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -27.033 26.392 -7.639 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -25.922 25.254 -6.972 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -26.108 25.439 -6.030 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -24.964 25.475 -7.072 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -29.653 39.731 -14.410 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -30.095 38.937 -14.777 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -30.360 40.407 -14.402 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -18.597 21.916 -10.004 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -18.787 21.762 -10.953 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -18.716 21.038 -9.595 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -20.303 42.472 -14.587 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -19.867 41.836 -15.171 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -20.061 42.178 -13.687 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.276 40.169 -13.660 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.144 39.736 -12.793 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -15.191 39.919 -13.911 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -18.645 32.153 8.213 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -19.001 31.264 8.006 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -19.152 32.753 7.614 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -26.821 35.086 11.085 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -27.654 34.653 11.309 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -26.949 35.388 10.156 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -24.627 35.713 7.510 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -24.480 35.363 8.411 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -23.724 35.922 7.192 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -23.533 34.124 9.501 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -23.817 33.438 8.857 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -23.786 33.756 10.366 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -30.908 35.155 3.355 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -30.851 34.668 4.203 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -30.152 35.779 3.389 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -16.569 34.095 8.388 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -17.285 33.427 8.313 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -16.376 34.125 9.331 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -21.981 32.742 4.807 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -21.535 31.962 4.406 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -21.306 33.100 5.433 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -15.613 33.787 16.579 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -15.097 34.591 16.727 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -16.490 34.120 16.266 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -13.041 34.019 12.451 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -13.728 33.965 13.125 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -13.288 33.319 11.804 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -23.369 38.122 10.538 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -23.582 37.836 11.440 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -23.034 37.325 10.108 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -18.019 34.861 15.946 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -18.316 35.196 16.825 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -18.792 34.345 15.619 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -24.046 37.759 13.371 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -24.202 37.490 14.313 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -23.537 38.577 13.443 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -23.427 35.003 13.137 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -23.611 35.957 13.120 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -23.026 34.854 14.019 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -30.035 34.974 8.453 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -30.371 35.445 9.225 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -30.210 34.022 8.654 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -27.385 35.934 8.560 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -26.776 35.777 7.817 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -28.251 35.604 8.239 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -16.994 34.425 13.434 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -17.382 34.748 14.273 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -17.593 34.751 12.755 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -22.068 35.445 4.180 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -22.202 34.480 4.178 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -21.280 35.573 4.758 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -23.127 37.905 4.171 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -22.482 38.248 4.820 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -22.804 36.991 3.979 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -21.899 35.947 7.568 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -21.903 35.223 8.214 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -21.154 35.722 6.958 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -24.876 33.191 11.747 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -24.294 33.721 12.345 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -25.568 33.826 11.468 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -14.898 29.606 13.894 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -14.205 29.508 14.588 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -15.129 30.564 13.922 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -22.288 34.947 15.630 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -21.504 34.420 15.372 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -22.208 35.023 16.607 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -29.347 30.032 13.591 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -29.176 29.784 14.514 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -29.965 29.343 13.269 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -25.153 33.717 20.036 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -24.859 33.243 20.843 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -25.510 33.012 19.466 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -19.208 35.203 18.363 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -19.194 34.584 19.102 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -20.153 35.422 18.255 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -15.453 32.307 14.142 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -15.377 32.644 15.050 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -16.007 32.979 13.685 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -31.000 34.200 5.966 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -31.959 34.373 5.887 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -30.748 34.630 6.812 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -25.554 37.363 5.329 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -25.313 36.826 6.106 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -24.697 37.543 4.887 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -20.141 33.278 15.391 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -20.670 32.643 14.856 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -20.075 32.849 16.276 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -31.055 26.371 14.600 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -30.909 26.531 15.555 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -30.719 25.463 14.455 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -24.713 32.905 3.922 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -24.675 32.301 3.146 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -23.791 32.948 4.235 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -23.360 41.325 -0.864 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -23.866 41.348 -1.692 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -23.727 42.061 -0.336 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -26.690 33.140 1.855 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -26.018 32.435 1.656 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -26.362 33.545 2.676 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -31.332 25.179 9.775 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -30.800 24.379 9.963 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -30.820 25.903 10.181 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -29.459 37.444 3.690 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -30.015 38.173 4.046 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -28.542 37.748 3.852 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -24.152 36.928 15.957 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -23.472 36.231 15.843 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -24.486 36.786 16.861 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -17.188 32.273 18.399 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -16.526 31.786 18.933 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -16.654 32.818 17.797 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -29.214 29.557 16.471 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -29.634 30.425 16.498 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -28.502 29.611 17.161 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -24.638 36.059 18.723 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -24.990 36.705 19.343 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -24.859 35.188 19.132 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -21.272 33.585 20.414 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -21.431 32.631 20.201 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -21.371 33.629 21.371 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -19.793 32.046 17.791 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -20.306 31.829 18.595 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -18.871 32.175 18.120 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -25.414 31.666 18.214 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -24.888 32.185 17.594 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -24.740 31.197 18.771 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -27.246 29.655 18.287 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -26.740 29.014 18.828 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -26.680 30.460 18.284 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -28.473 34.880 0.619 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -27.896 34.262 1.118 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -27.930 35.133 -0.163 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -28.900 39.990 9.104 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -28.042 39.532 8.981 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -29.020 40.005 10.076 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -13.502 31.855 10.888 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -12.677 31.408 11.171 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -14.163 31.140 10.860 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -29.069 32.158 6.415 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -29.640 32.891 6.114 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -29.312 32.040 7.350 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -15.088 31.063 19.680 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -15.254 30.124 19.890 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -14.816 31.457 20.536 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -13.810 31.813 17.369 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -14.151 31.529 18.243 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -14.415 32.524 17.099 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -27.810 26.976 16.181 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -27.824 27.944 16.166 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -28.720 26.732 16.430 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -33.473 25.639 8.087 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -32.745 25.289 8.647 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -33.424 26.611 8.223 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -29.497 27.013 10.879 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -28.861 26.509 11.434 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -30.062 27.485 11.534 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -19.477 37.602 3.776 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -19.629 36.774 4.277 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -19.535 38.294 4.448 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -30.390 27.066 17.182 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -30.452 26.952 18.138 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -30.185 28.017 17.065 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -26.603 38.518 9.236 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -26.856 37.625 8.922 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -26.439 38.395 10.192 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -24.218 39.769 8.373 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -25.119 39.424 8.512 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -23.707 39.396 9.116 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -28.028 40.885 5.764 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -28.962 40.848 6.060 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -27.523 40.913 6.588 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -26.239 25.347 14.747 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -26.019 24.718 15.460 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -26.760 26.048 15.205 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -23.826 24.068 18.584 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -23.692 24.825 19.198 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -22.984 24.016 18.080 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -18.501 26.913 19.297 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -18.629 26.894 18.324 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -19.390 27.116 19.656 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -20.167 29.797 21.927 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -19.196 29.732 21.809 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -20.480 30.293 21.129 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -17.428 29.005 21.827 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -16.634 29.227 22.355 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -17.067 28.769 20.952 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -12.509 24.821 24.641 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -12.018 24.568 25.449 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -13.393 25.046 24.965 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -12.229 32.154 23.585 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -11.587 32.337 24.275 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -12.074 31.215 23.354 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -18.666 26.348 23.027 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -18.474 27.204 22.598 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -17.784 25.921 23.116 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -24.633 26.576 24.627 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -24.695 26.533 25.584 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -25.464 27.033 24.354 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -24.245 31.810 21.861 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -23.930 31.299 21.075 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -23.469 31.824 22.460 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -20.879 27.368 20.829 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -21.366 26.949 21.566 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -20.667 28.264 21.166 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -16.315 24.935 23.107 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -15.755 25.516 22.532 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -16.246 24.063 22.697 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -13.627 27.745 18.197 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -13.224 27.777 19.091 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -13.154 27.018 17.752 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -20.595 25.790 24.826 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -20.262 26.034 25.697 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -19.850 26.008 24.213 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -22.539 26.414 22.913 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -21.854 26.379 23.609 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -23.381 26.540 23.416 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -19.936 21.838 25.011 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -20.664 22.362 24.608 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -20.327 20.940 25.136 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -23.334 26.225 20.211 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -22.478 26.645 20.006 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -23.340 26.169 21.187 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -25.908 29.539 22.197 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -25.755 29.133 21.325 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -25.440 30.396 22.149 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -22.040 35.186 18.333 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -22.927 35.548 18.536 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -21.844 34.591 19.094 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -26.886 28.017 24.188 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -26.508 28.571 23.460 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -27.726 28.434 24.386 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -21.832 31.613 23.225 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -21.354 30.886 22.773 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -21.465 31.620 24.111 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -14.410 32.408 22.032 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -14.751 33.306 22.103 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -13.580 32.421 22.569 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -14.790 29.728 22.569 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -13.862 29.514 22.764 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -14.805 30.703 22.524 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -16.033 28.225 19.544 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -15.330 27.975 18.903 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -16.810 27.692 19.272 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -14.949 26.373 21.303 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -14.014 26.641 21.186 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -15.451 27.059 20.826 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -10.560 25.622 21.693 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -9.921 25.001 21.304 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -11.370 25.082 21.809 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -15.776 24.340 25.777 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -16.492 23.715 26.010 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -16.020 24.660 24.886 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -25.288 28.269 19.745 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -24.623 29.003 19.730 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -24.748 27.462 19.851 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -21.692 23.553 23.719 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -22.626 23.710 23.526 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -21.412 24.354 24.215 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -36.286 49.367 -43.746 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -36.140 49.586 -42.802 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -37.063 49.889 -43.992 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -30.203 47.730 -43.153 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -30.686 47.510 -43.955 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -29.799 46.876 -42.874 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -31.117 52.493 -38.670 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -31.273 51.692 -39.193 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -32.007 52.928 -38.633 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -27.632 44.096 -37.556 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -28.580 43.923 -37.596 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -27.567 45.073 -37.606 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -29.350 45.216 -42.566 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -29.684 44.881 -41.701 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -28.600 44.623 -42.774 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -29.806 51.893 -36.275 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -30.575 51.603 -35.739 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -30.199 52.160 -37.133 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -31.963 49.629 -36.913 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -32.010 50.094 -36.048 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -32.753 49.051 -36.918 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -28.335 46.780 -37.684 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -28.425 47.719 -37.401 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -28.937 46.708 -38.458 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -31.923 45.904 -37.439 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -31.299 45.970 -36.690 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -31.402 46.215 -38.211 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -34.035 47.649 -37.418 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -33.358 46.939 -37.384 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -34.248 47.731 -38.374 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -30.143 49.307 -40.963 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -30.259 48.792 -41.801 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -29.319 49.787 -41.096 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -30.382 46.971 -39.479 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -31.032 46.468 -40.028 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -30.245 47.801 -39.977 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -29.933 43.911 -40.278 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -30.569 43.294 -39.874 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -29.078 43.449 -40.207 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -27.610 42.447 -39.892 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -27.200 43.031 -39.227 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -27.941 41.684 -39.367 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -29.268 38.399 -36.810 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -29.941 38.686 -36.158 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -28.979 37.540 -36.491 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -15.968 48.921 -23.844 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -16.934 49.094 -23.904 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -15.634 49.101 -24.754 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -26.993 52.843 -25.722 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -27.534 53.013 -26.529 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -26.317 52.197 -26.021 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -22.473 51.636 -25.949 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -22.143 52.519 -26.137 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -21.909 51.322 -25.214 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -12.253 44.726 -21.849 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -12.577 45.635 -21.644 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -11.296 44.817 -21.874 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -16.237 44.002 -22.897 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -15.392 43.507 -22.811 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -15.952 44.949 -22.963 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -24.129 46.391 -26.751 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -23.295 46.052 -26.367 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -23.969 46.385 -27.702 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -13.183 47.148 -21.076 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -13.339 48.081 -21.336 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -13.583 47.086 -20.171 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -25.209 49.781 -21.815 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -26.116 49.803 -21.428 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -25.349 49.473 -22.728 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -14.487 49.321 -26.105 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -14.045 49.592 -26.913 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -13.752 49.136 -25.478 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -28.073 52.148 -23.314 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -27.765 52.414 -24.210 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -27.323 52.384 -22.727 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -30.466 56.125 -32.586 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -29.958 55.637 -33.255 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -30.816 56.904 -33.069 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -13.869 42.694 -22.760 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -13.493 42.058 -23.414 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -13.172 43.379 -22.660 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -25.677 41.319 -22.567 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -25.241 42.021 -23.084 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -26.561 41.252 -22.954 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -18.676 49.250 -23.716 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -19.266 50.032 -23.703 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -19.225 48.548 -24.119 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -28.555 53.125 -28.013 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -29.446 53.514 -27.880 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -28.366 53.275 -28.969 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -24.848 49.119 -24.498 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -24.899 49.876 -25.132 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -23.949 49.188 -24.116 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -25.380 54.432 -23.817 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -25.858 54.233 -24.640 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -25.653 53.720 -23.208 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -29.889 50.878 -29.154 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -29.346 50.072 -29.321 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -29.253 51.525 -28.787 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -30.821 51.832 -24.068 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -29.890 51.789 -23.768 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -30.799 51.482 -24.982 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -31.164 53.902 -27.386 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -31.783 54.436 -27.932 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -31.145 54.362 -26.518 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -18.252 48.777 -20.887 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -18.973 48.131 -20.995 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -18.069 49.078 -21.792 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -27.827 50.165 -21.280 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -28.092 50.843 -21.930 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -28.681 49.844 -20.908 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -27.268 45.463 -27.769 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -27.756 45.777 -28.550 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -26.787 44.671 -28.091 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -26.325 50.189 -28.762 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -27.079 49.595 -28.973 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -26.195 50.705 -29.580 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -22.729 46.878 -21.160 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -22.894 47.283 -20.281 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -21.748 46.840 -21.229 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -29.840 46.094 -35.469 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -29.465 46.494 -34.655 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -29.202 46.339 -36.173 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -20.746 47.549 -24.467 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -20.988 46.906 -25.168 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -21.515 48.137 -24.409 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -21.554 45.408 -26.107 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -21.514 45.016 -27.007 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -21.020 44.806 -25.566 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -26.650 48.517 -31.662 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -27.318 48.536 -30.937 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -26.107 47.736 -31.460 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -20.146 42.719 -26.413 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -20.281 43.118 -27.296 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -19.423 42.056 -26.555 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -26.050 51.201 -31.353 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -25.240 51.419 -31.826 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -26.242 50.273 -31.618 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -25.721 52.502 -21.900 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -25.462 51.572 -21.730 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -25.015 53.026 -21.477 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -24.039 43.078 -24.063 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -23.313 43.196 -23.436 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -23.627 42.602 -24.820 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -26.091 44.957 -24.184 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -25.380 44.340 -24.463 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -25.769 45.313 -23.326 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -24.016 50.659 -18.342 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -23.275 51.096 -18.801 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -23.947 50.985 -17.416 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -29.914 53.855 -34.253 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -30.054 53.242 -33.515 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -29.608 53.283 -34.985 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -25.093 50.989 -26.435 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -25.352 50.743 -27.353 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -24.149 51.257 -26.511 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -30.754 54.537 -24.682 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -29.963 54.836 -24.225 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -30.903 53.633 -24.337 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -30.567 51.825 -31.807 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -30.484 51.437 -30.909 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -31.162 52.601 -31.678 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -23.630 46.014 -31.920 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -23.923 45.909 -32.828 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -24.460 45.983 -31.394 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -25.280 45.970 -21.747 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -25.470 45.989 -20.785 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -24.345 46.260 -21.805 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -21.279 45.198 -30.846 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -20.637 45.495 -31.495 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -22.145 45.507 -31.203 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -28.644 46.816 -33.016 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -28.027 47.566 -33.062 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -28.770 46.674 -32.051 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -14.599 44.195 -19.926 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -14.545 43.222 -19.990 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -13.913 44.512 -20.535 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -29.226 49.229 -36.960 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -30.203 49.193 -37.001 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -29.036 50.150 -36.705 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -31.598 49.233 -18.106 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -32.527 49.456 -18.331 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -31.556 48.261 -18.221 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -23.666 54.432 -21.642 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -24.099 54.600 -22.510 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -23.630 55.299 -21.224 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -28.135 52.897 -30.702 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -28.827 52.603 -31.316 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -27.353 52.362 -30.945 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -21.736 52.443 -21.635 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -22.363 53.195 -21.652 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -21.688 52.194 -20.690 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -18.699 44.640 -22.006 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -17.810 44.461 -22.393 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -19.311 44.094 -22.556 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -22.720 49.075 -22.796 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -22.657 48.231 -22.303 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -23.343 49.614 -22.260 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -20.116 46.954 -21.837 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -20.277 47.225 -22.768 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -19.560 46.146 -21.917 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -20.927 50.896 -23.703 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -21.040 51.608 -23.030 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -21.493 50.168 -23.370 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -31.609 55.556 -35.666 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -31.072 54.958 -35.102 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -31.187 55.486 -36.556 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -15.331 46.486 -22.743 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -14.634 46.759 -22.121 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -15.574 47.314 -23.210 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -14.184 49.531 -21.903 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -14.594 50.062 -21.207 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -14.900 49.421 -22.574 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -16.838 44.958 -14.782 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -17.213 44.513 -13.989 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -16.085 44.392 -15.039 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -13.921 45.963 -16.413 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -13.202 46.278 -15.817 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -14.165 45.096 -16.048 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -12.676 42.412 -17.321 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -13.074 41.799 -17.961 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -12.505 43.214 -17.834 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -22.704 41.788 -26.075 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -21.780 42.108 -26.166 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -23.116 42.010 -26.925 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -15.546 39.339 -24.069 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -16.126 38.777 -24.625 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -15.991 40.217 -24.076 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -21.563 43.945 -28.489 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -21.345 44.419 -29.331 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -22.228 43.281 -28.757 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -18.199 40.841 -26.403 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -18.039 39.881 -26.356 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -17.654 41.208 -25.678 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -28.952 43.985 -32.925 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -28.745 44.923 -33.113 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -29.720 43.791 -33.502 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -20.453 47.480 -13.320 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -21.323 47.573 -13.736 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -20.525 46.655 -12.790 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -29.480 45.361 -7.462 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -29.628 46.288 -7.737 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -28.633 45.393 -6.970 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -25.578 46.391 -9.862 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -25.736 45.578 -9.345 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -26.277 47.011 -9.549 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -23.905 53.762 -9.018 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -24.691 54.204 -8.691 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -23.851 52.939 -8.486 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -15.927 42.083 -11.382 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -15.620 42.642 -10.623 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -15.348 42.361 -12.126 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -30.658 43.756 -9.233 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -31.391 44.363 -9.450 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -30.149 44.237 -8.537 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -14.019 46.473 -5.840 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -13.586 45.656 -5.496 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -13.552 47.191 -5.395 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -18.103 51.946 -7.377 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -18.940 51.997 -7.841 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -18.296 51.408 -6.590 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -24.467 49.548 -4.274 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.248 50.458 -4.535 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -24.983 49.658 -3.450 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -26.824 52.223 -5.782 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -26.385 52.592 -4.999 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -27.740 52.508 -5.696 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -26.649 49.259 -11.315 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -26.988 48.935 -10.453 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -25.909 49.833 -11.075 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -17.851 44.652 -5.334 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -18.650 44.601 -5.886 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -17.460 45.521 -5.561 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -23.712 48.617 -14.752 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -24.372 49.334 -14.849 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -23.335 48.761 -13.859 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -21.433 51.662 -18.969 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -20.680 51.078 -19.123 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -21.303 51.979 -18.047 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -19.055 49.228 -16.696 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -18.783 48.434 -16.193 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -20.030 49.140 -16.771 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -19.058 50.340 -5.295 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -19.720 50.935 -4.867 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -19.601 49.756 -5.865 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -24.034 48.642 -9.970 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -24.565 47.819 -10.034 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -23.827 48.715 -9.024 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -22.007 52.843 -10.750 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -21.695 52.119 -10.181 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -22.698 53.290 -10.211 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -26.037 50.412 -7.764 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -25.119 50.712 -7.895 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -26.378 50.998 -7.055 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -25.284 50.461 0.028 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -24.516 49.854 0.111 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -25.578 50.344 -0.903 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -20.685 52.120 -16.351 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -19.985 51.458 -16.243 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -20.377 52.887 -15.806 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -26.289 50.407 -2.481 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -27.211 50.109 -2.606 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -26.314 51.358 -2.702 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -14.713 43.333 -15.675 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -13.938 42.915 -16.110 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -15.493 42.886 -16.096 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -18.483 47.401 0.060 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -18.194 48.234 0.463 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -17.813 46.742 0.367 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -26.248 53.144 -3.048 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -26.068 53.341 -2.097 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -27.232 53.130 -3.104 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -16.692 49.390 -4.319 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -16.110 50.158 -4.380 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -17.572 49.732 -4.612 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -21.773 48.829 -16.754 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -22.433 49.019 -16.062 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -22.306 48.671 -17.552 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -26.506 47.662 -4.652 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -25.749 48.289 -4.657 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -26.709 47.538 -3.697 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -29.417 43.418 -13.722 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -30.368 43.518 -13.544 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -29.014 43.340 -12.827 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -20.675 48.815 -6.894 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -21.607 48.516 -6.970 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -20.171 47.996 -6.809 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -26.074 53.091 -0.303 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -25.742 52.190 -0.100 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -26.224 53.486 0.561 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -25.998 50.108 -14.544 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -26.515 50.535 -15.267 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -25.557 50.857 -14.088 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -18.664 46.860 -15.340 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -19.206 47.137 -14.571 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -17.999 46.246 -14.958 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -20.296 55.640 -2.396 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -20.461 56.070 -1.549 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -19.336 55.613 -2.466 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -17.785 43.827 -12.445 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -17.138 43.229 -12.024 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -18.620 43.319 -12.432 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -27.293 48.255 -8.871 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -26.876 48.999 -8.371 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -28.209 48.209 -8.514 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -19.840 54.128 -14.729 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -19.507 55.022 -14.821 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -19.886 53.988 -13.753 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -28.849 52.449 -3.024 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -28.972 51.512 -3.265 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -29.281 52.525 -2.155 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -21.045 50.660 -8.949 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -20.759 50.064 -8.225 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -20.772 50.192 -9.765 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -24.048 51.668 -13.173 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -23.733 52.402 -12.624 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -23.575 50.887 -12.819 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -22.771 49.388 -12.225 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -21.843 49.453 -11.933 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -23.262 49.136 -11.405 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -23.404 51.415 -7.705 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -23.192 51.418 -6.760 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -22.567 51.139 -8.140 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -27.208 45.429 -6.012 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -26.564 45.268 -6.726 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -26.861 46.228 -5.547 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -19.891 53.955 -12.049 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -20.714 53.566 -11.676 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -19.317 54.068 -11.287 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -23.391 51.532 -15.872 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -23.576 51.771 -14.944 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -22.448 51.771 -15.999 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -15.845 43.466 -3.569 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -16.693 43.752 -3.955 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -15.184 43.973 -4.052 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -20.099 49.145 -11.136 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -20.105 48.601 -11.954 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -19.179 49.112 -10.839 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -28.528 53.581 -16.709 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -28.383 54.438 -16.293 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -29.369 53.678 -17.171 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -30.210 49.986 -15.843 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -29.385 50.425 -16.104 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -30.691 49.855 -16.690 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -23.627 48.045 -18.818 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -24.454 47.555 -18.960 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -23.909 48.994 -18.796 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -23.412 48.450 -0.193 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -23.538 47.730 -0.853 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -22.469 48.709 -0.304 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -21.998 54.461 -4.210 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -22.091 55.200 -4.821 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -21.444 54.822 -3.480 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -28.967 49.680 -2.781 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -29.447 50.028 -1.998 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -28.598 48.819 -2.474 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -23.898 52.382 -4.342 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -24.687 52.664 -3.837 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -23.311 53.166 -4.322 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -20.091 45.107 -0.065 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -19.647 45.978 -0.006 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -19.390 44.503 -0.339 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -21.167 51.811 -4.487 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -21.197 52.783 -4.410 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -22.078 51.533 -4.299 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -16.213 41.544 0.605 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -15.911 40.722 1.044 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -15.782 41.519 -0.275 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -27.728 47.331 -2.197 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -28.357 46.652 -2.537 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -27.621 47.104 -1.247 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -27.493 51.081 -16.631 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -27.824 52.010 -16.604 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -27.129 50.988 -17.523 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -16.787 48.898 -18.498 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -17.483 49.136 -17.857 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -17.249 48.891 -19.362 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -12.998 47.706 -12.341 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -13.727 47.082 -12.115 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -13.392 48.576 -12.238 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -32.323 47.571 -8.911 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -33.172 48.005 -8.780 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -32.560 46.671 -9.235 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -16.831 42.159 -16.894 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -16.996 42.206 -17.859 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -17.476 41.500 -16.575 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -14.998 45.934 -11.841 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -14.676 45.075 -12.187 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -15.949 45.911 -12.001 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -16.973 47.233 -8.792 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -16.242 46.605 -8.915 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -17.026 47.349 -7.827 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -16.751 47.159 -5.970 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -16.779 47.942 -5.377 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -15.807 46.904 -5.983 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -29.816 51.203 -0.602 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -29.099 50.723 -0.115 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -30.489 51.359 0.066 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -12.048 42.032 -1.943 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -11.514 42.411 -1.216 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -11.540 41.244 -2.219 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -19.722 41.880 -11.971 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -20.446 41.725 -11.353 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -19.129 41.102 -11.850 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -29.805 48.066 -7.821 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -29.751 48.220 -6.849 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -30.765 48.064 -8.012 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -10.168 42.830 -0.061 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -9.446 43.421 -0.300 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -10.516 43.201 0.782 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -11.973 46.503 -14.572 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -12.333 46.958 -13.778 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -11.022 46.608 -14.492 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -31.438 45.065 -16.519 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -30.493 44.841 -16.515 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -31.532 45.711 -17.252 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -28.594 40.603 -4.374 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -28.873 41.443 -4.776 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -28.313 40.847 -3.487 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -15.714 38.995 -2.714 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -16.493 38.915 -2.148 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -15.297 39.836 -2.428 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -14.992 40.233 -9.405 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -14.578 39.601 -10.037 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -15.221 41.002 -9.958 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -28.797 43.047 -11.112 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -28.966 42.089 -11.216 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -29.366 43.311 -10.359 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -17.739 39.991 -11.817 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -17.447 39.594 -12.666 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -17.055 40.668 -11.622 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -29.526 45.851 -3.588 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -29.516 45.013 -4.083 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -29.632 46.535 -4.273 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -18.527 39.163 0.451 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -19.420 39.059 0.815 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -18.313 40.089 0.605 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -20.763 48.818 -0.849 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -20.474 49.172 -1.696 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -20.026 48.248 -0.562 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -16.669 48.832 -1.606 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -16.678 48.983 -2.570 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -17.325 48.140 -1.467 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -24.244 42.996 1.222 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -24.165 42.406 1.998 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -23.481 43.613 1.313 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -24.109 41.236 3.435 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -25.027 41.560 3.623 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.797 40.889 4.301 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -26.540 42.260 3.782 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -27.237 42.002 4.416 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -26.820 43.134 3.456 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -26.352 44.655 2.036 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -25.936 45.536 1.984 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -25.676 44.052 1.674 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -27.207 38.977 3.940 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -27.425 39.697 4.573 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -26.579 38.400 4.440 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -23.045 43.903 4.406 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -23.316 43.022 4.698 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -22.555 43.742 3.580 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -27.912 49.694 0.529 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -27.904 48.720 0.610 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -26.965 49.943 0.544 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -20.864 40.949 3.935 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -20.196 41.528 4.315 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -21.582 40.947 4.591 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -21.371 38.432 6.286 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -20.418 38.492 6.505 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -21.689 37.675 6.823 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -21.070 39.042 1.944 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -21.010 39.767 2.609 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -20.585 38.299 2.362 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -27.571 46.898 0.512 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -27.827 46.041 0.886 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -26.650 47.032 0.835 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -25.080 47.108 1.535 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -24.501 46.958 2.315 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -24.521 47.639 0.925 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -23.397 46.452 3.553 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -23.363 45.554 3.958 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -23.297 47.050 4.300 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -22.123 44.609 1.753 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -22.400 45.485 2.079 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -21.381 44.803 1.139 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -16.633 45.578 0.840 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -16.504 44.870 1.503 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -15.846 45.527 0.285 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -13.818 40.728 3.961 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -13.862 40.003 4.616 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -14.376 40.415 3.224 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -11.114 43.742 2.333 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -10.676 44.226 3.041 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -11.998 44.177 2.255 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -16.783 40.000 11.867 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -17.547 40.568 11.762 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -16.063 40.491 11.466 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -18.667 37.898 6.755 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -19.060 37.034 6.498 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -17.762 37.671 7.043 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -31.101 39.465 4.528 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -30.919 39.910 5.385 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -30.990 40.180 3.856 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -26.474 37.707 11.954 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -26.589 36.746 11.799 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -25.657 37.765 12.490 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -15.733 43.449 2.462 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -15.577 42.888 3.235 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -15.935 42.806 1.736 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -30.558 41.152 2.454 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -29.696 40.821 2.121 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -30.973 41.547 1.681 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -23.006 40.587 5.923 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -23.595 40.586 6.709 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -22.390 39.840 6.094 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 3.510 -18.474 17.849 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 3.997 -18.037 17.122 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 2.933 -17.776 18.200 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 7.054 -19.782 13.693 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 6.323 -20.227 13.247 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 7.659 -20.516 13.951 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 10.625 -29.911 15.300 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 9.862 -30.483 15.187 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 10.729 -29.473 14.425 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 1.830 -16.414 18.744 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 1.126 -16.283 18.071 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 1.452 -17.092 19.356 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 1.187 -14.192 15.663 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 0.466 -13.532 15.683 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 0.773 -15.006 16.026 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 2.374 -13.329 13.354 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 1.586 -12.813 13.061 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 2.065 -13.782 14.172 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 1.113 -18.368 20.504 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 1.456 -18.755 21.336 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 0.281 -18.854 20.341 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 7.067 -18.138 15.904 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 6.120 -17.893 15.985 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 7.080 -18.801 15.180 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 4.543 -21.008 17.731 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 4.137 -20.116 17.824 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 5.437 -20.829 17.408 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 8.115 -14.085 16.813 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 7.948 -14.682 16.053 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 9.079 -13.978 16.823 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 8.857 -21.666 14.392 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 9.298 -22.490 14.690 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 9.528 -21.227 13.829 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 3.180 -14.003 17.539 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 2.518 -13.855 16.831 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 3.024 -14.919 17.820 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 7.434 -23.353 18.472 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 6.659 -23.484 19.059 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 7.585 -24.246 18.080 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 5.439 -26.438 19.155 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 6.058 -26.395 18.403 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 5.774 -27.178 19.696 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 -2.437 -15.327 18.358 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 -2.548 -16.295 18.407 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -2.302 -15.054 19.275 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 -1.092 -12.575 15.614 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 -1.791 -13.238 15.535 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 -1.080 -12.353 16.577 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 4.396 -17.478 15.447 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 4.527 -16.627 14.969 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 3.692 -17.917 14.956 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -3.839 -16.702 27.297 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -3.089 -16.256 26.838 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -3.681 -17.639 27.153 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 0.202 -18.548 23.951 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 1.047 -18.856 23.553 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 0.406 -18.443 24.886 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 3.783 -21.653 23.498 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 4.072 -21.701 24.413 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 3.921 -22.565 23.158 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -1.951 -18.364 22.335 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -1.162 -18.430 22.926 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -2.496 -17.691 22.749 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 -3.198 -13.449 24.410 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 -4.154 -13.579 24.516 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 -3.047 -12.534 24.733 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 -0.521 -13.508 20.584 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 0.341 -13.960 20.553 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 -0.697 -13.405 21.541 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 -0.592 -13.409 23.344 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 -1.474 -13.674 23.681 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 0.039 -13.825 23.969 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 3.219 -22.798 19.254 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 2.295 -22.787 18.991 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 3.652 -22.155 18.645 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 2.525 -19.307 22.728 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 2.929 -20.189 22.921 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 3.286 -18.736 22.526 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 3.709 -17.222 21.052 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 2.896 -17.620 20.697 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 4.384 -17.433 20.391 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 4.447 -24.263 22.858 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 4.656 -24.142 21.916 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 4.784 -25.155 23.063 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -1.381 -19.773 20.149 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -1.689 -19.281 20.955 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -1.513 -20.701 20.376 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 -1.980 -18.130 18.040 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 -1.709 -18.693 18.802 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 -2.601 -18.680 17.551 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 2.700 -12.386 19.687 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 2.424 -13.112 20.280 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 2.972 -12.846 18.861 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 5.394 -23.974 20.235 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 5.279 -24.891 19.878 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 4.572 -23.501 19.945 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 -5.758 -10.568 25.915 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 -6.401 -10.288 25.252 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 -5.819 -11.551 25.908 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 5.886 -26.708 22.876 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 6.172 -27.202 22.080 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 5.575 -27.410 23.489 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 5.012 -29.005 24.143 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 4.097 -29.255 23.979 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 5.337 -29.674 24.753 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 7.588 -24.725 21.752 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 6.840 -24.341 21.248 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 7.156 -25.315 22.402 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 1.520 -13.883 25.106 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 2.264 -14.333 25.556 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 1.028 -13.444 25.837 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 -5.745 -13.350 25.770 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 -5.326 -13.731 26.562 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 -6.505 -13.924 25.605 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 2.036 -14.746 20.901 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 2.506 -15.290 21.553 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 2.026 -15.305 20.092 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 1.355 -2.870 15.602 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 0.423 -2.618 15.768 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 1.343 -3.241 14.691 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 -2.961 -3.279 14.563 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 -3.900 -2.979 14.511 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 -2.990 -4.051 15.148 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 2.159 -1.902 10.868 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 2.842 -2.545 10.565 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 2.612 -1.025 10.809 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 1.189 3.691 13.237 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 0.248 3.751 12.982 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 1.636 3.391 12.420 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 -1.172 -1.757 16.054 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 -1.793 -2.302 15.524 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 -1.639 -0.912 16.171 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 -1.242 -6.924 14.474 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 -1.175 -7.845 14.806 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 -1.695 -7.012 13.629 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 -0.363 -0.844 11.092 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 -0.825 -1.612 11.488 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 0.518 -1.201 10.840 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 -2.497 0.072 13.415 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 -2.924 0.929 13.202 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 -3.189 -0.578 13.264 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 2.693 -11.396 7.538 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 1.831 -11.786 7.355 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 3.232 -11.644 6.779 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 -7.250 0.157 15.336 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 -8.232 0.207 15.306 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 -7.014 0.630 16.163 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 1.603 2.852 10.631 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 0.798 2.332 10.440 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 1.392 3.749 10.288 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 3.203 0.601 11.010 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 2.745 1.433 10.768 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 4.010 0.901 11.478 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 -1.330 3.635 12.023 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 -1.144 2.998 11.295 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 -1.468 4.486 11.565 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 -11.460 -6.042 14.704 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 -11.573 -6.194 13.760 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 -11.667 -6.890 15.108 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 -0.864 1.662 10.179 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 -0.771 0.729 10.491 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 -1.154 1.575 9.263 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 -9.443 5.232 11.450 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 -10.015 4.488 11.261 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 -9.085 5.042 12.343 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 -11.248 -3.520 15.780 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 -11.479 -4.421 15.463 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 -10.298 -3.461 15.643 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 -0.233 -16.140 17.001 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 -0.955 -15.603 17.400 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 -0.578 -17.052 17.031 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 0.957 -8.234 19.773 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 0.515 -7.472 19.355 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 0.457 -8.366 20.613 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 -1.149 -6.416 19.111 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 -1.112 -5.892 18.279 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 -1.672 -7.192 18.877 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 -0.995 -5.201 16.668 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 -1.156 -5.764 15.884 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 -0.022 -5.237 16.791 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -1.193 -9.601 15.261 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -1.110 -10.564 15.356 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -2.081 -9.396 15.642 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -12.007 -1.048 16.588 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -12.927 -0.983 16.312 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -11.745 -1.968 16.335 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -2.713 -3.447 20.054 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -3.361 -3.497 20.796 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -2.966 -4.170 19.467 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 4.008 -3.842 10.445 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 4.924 -3.680 10.167 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 3.855 -4.773 10.217 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 -5.129 4.045 17.424 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 -5.031 4.996 17.621 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 -4.744 3.950 16.526 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 -5.540 -2.234 14.408 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 -5.932 -1.507 14.926 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 -6.211 -2.438 13.747 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 -3.687 -11.252 17.855 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 -2.766 -11.523 18.066 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 -4.232 -11.942 18.248 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -3.656 -9.101 16.227 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -4.551 -8.757 16.193 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -3.717 -9.873 16.838 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 1.521 -6.692 14.442 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 0.555 -6.585 14.373 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 1.633 -7.444 15.062 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 3.785 -1.910 16.327 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 2.921 -2.340 16.131 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 3.713 -1.641 17.256 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -9.190 1.814 18.707 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -8.738 1.763 19.582 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -9.791 1.036 18.705 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 -10.834 -0.383 18.995 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 -11.246 -0.634 18.140 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 -11.441 -0.743 19.670 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 -3.298 -8.564 22.278 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 -2.399 -8.412 21.933 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 -3.390 -9.523 22.276 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 -1.095 -12.070 18.298 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 -0.327 -11.452 18.321 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 -0.987 -12.613 19.113 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 1.371 -8.907 16.120 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 1.465 -9.526 16.871 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 0.485 -9.107 15.761 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -0.492 -8.508 22.047 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -0.691 -9.370 22.485 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -0.460 -7.871 22.784 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -8.362 7.755 4.495 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -8.511 6.889 4.896 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -9.045 7.813 3.785 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 4.741 0.939 15.007 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 4.876 1.146 14.051 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 4.990 1.753 15.463 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 2.009 4.475 17.419 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 2.228 4.156 18.320 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 1.255 5.061 17.551 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 1.334 -3.507 12.969 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 1.736 -3.056 12.198 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 0.379 -3.524 12.760 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 4.676 -6.621 9.661 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 4.908 -7.241 10.383 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 4.169 -7.166 9.041 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 5.821 -8.000 13.897 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 6.465 -7.286 13.706 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 5.410 -8.190 13.028 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 0.472 5.283 10.052 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 -0.393 5.717 10.109 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 1.096 5.940 10.424 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 -10.002 0.572 15.491 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 -10.494 1.376 15.301 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 -10.664 -0.028 15.890 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -6.684 2.581 13.977 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -5.762 2.499 13.701 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -6.899 1.707 14.355 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -8.371 4.759 13.914 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -7.815 3.947 13.983 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -7.723 5.493 13.960 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 -3.665 2.483 12.762 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 -4.207 2.779 11.996 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 -2.788 2.909 12.608 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 -3.764 4.137 15.009 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 -3.674 3.387 14.393 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 -4.021 4.882 14.434 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 -1.328 -3.141 12.323 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -1.848 -3.111 13.159 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 -1.753 -3.834 11.806 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 -5.006 3.534 10.578 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 -4.927 4.298 9.955 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 -5.657 2.960 10.162 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -0.036 -12.128 13.062 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -0.781 -11.860 12.517 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -0.408 -12.196 13.962 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 6.857 -13.001 11.992 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 7.396 -13.821 11.882 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 5.940 -13.291 11.794 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 3.262 -9.434 9.413 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 3.179 -10.144 8.736 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 2.352 -9.199 9.619 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 1.162 -10.547 18.367 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 1.852 -11.096 18.802 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 1.095 -9.749 18.938 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -2.820 -3.147 24.441 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -2.963 -2.395 25.049 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -2.099 -3.655 24.859 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 2.140 -1.010 25.832 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 1.653 -0.810 26.665 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 1.989 -1.975 25.698 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -3.374 2.778 24.401 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -3.043 3.552 23.897 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -3.290 3.055 25.339 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 1.445 -7.878 24.437 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 0.590 -7.407 24.413 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 1.276 -8.651 25.027 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 -2.958 -1.208 26.414 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 -2.392 -0.409 26.528 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 -2.762 -1.746 27.189 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 -4.538 -14.562 28.795 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 -4.811 -14.838 29.677 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 -4.338 -15.407 28.328 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 0.545 -0.472 27.993 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -0.190 0.105 27.708 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 0.508 -0.446 28.953 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 0.578 1.334 25.191 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 1.322 0.722 25.338 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 1.007 2.210 25.056 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -0.931 -6.543 23.985 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -1.881 -6.708 24.178 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -0.949 -6.008 23.151 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 -1.419 1.152 23.348 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 -0.727 1.131 24.047 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 -2.151 1.661 23.752 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 0.348 1.504 21.353 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -0.306 1.377 22.075 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 1.195 1.678 21.826 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 1.261 4.033 25.273 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 1.142 4.131 26.243 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 0.697 4.734 24.892 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 -1.298 -10.742 23.282 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 -1.853 -10.698 24.091 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 -1.016 -11.676 23.238 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 0.661 -9.862 26.095 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 0.168 -9.376 26.787 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 0.524 -10.805 26.322 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 -0.781 -8.343 27.886 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 -1.493 -7.790 27.488 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 -0.287 -7.730 28.442 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 -3.672 -6.684 24.212 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 -3.673 -7.376 23.508 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 -4.172 -5.953 23.823 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 -2.516 -10.454 28.071 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 -3.315 -9.903 28.199 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 -1.773 -9.816 28.141 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 -2.941 -6.996 26.885 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 -3.637 -7.544 27.302 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 -3.269 -6.847 25.972 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -1.512 1.060 26.854 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -1.968 1.922 26.947 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -0.762 1.250 26.241 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 1.583 -3.669 25.471 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 0.695 -3.999 25.713 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 2.003 -4.421 25.012 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -7.997 7.731 29.211 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -7.539 6.997 29.635 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -8.602 8.055 29.885 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -7.061 -1.276 24.870 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -7.260 -1.515 25.779 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -6.288 -0.676 24.941 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -8.570 3.965 24.980 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -8.354 3.059 25.226 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -9.529 4.006 25.042 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 3.769 0.779 20.261 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 3.541 -0.004 19.728 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 4.730 0.708 20.392 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 -6.750 -1.861 22.236 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 -7.607 -1.753 21.777 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 -6.960 -1.679 23.181 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -4.787 -8.893 27.922 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -5.212 -9.445 27.228 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -5.473 -8.786 28.593 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 0.211 -12.428 26.998 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -0.549 -12.738 27.534 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 0.987 -12.510 27.604 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 -1.012 -4.662 25.959 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 -1.609 -5.063 26.607 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 -0.869 -5.370 25.297 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -7.932 1.334 21.064 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -8.287 0.455 21.299 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -7.152 1.443 21.651 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -4.769 0.264 24.912 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -4.173 -0.329 25.418 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -4.274 1.102 24.852 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -4.302 -3.092 22.157 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -5.209 -2.757 22.357 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -3.856 -3.130 23.039 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -1.279 -5.323 21.638 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -1.138 -5.844 20.816 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -1.696 -4.503 21.327 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -9.239 -1.161 21.127 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -10.079 -1.391 21.557 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -9.496 -0.956 20.206 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 4.860 -4.241 20.612 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 5.163 -5.172 20.513 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 5.624 -3.785 21.030 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 6.298 -1.513 23.927 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 6.908 -1.813 24.616 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 6.468 -2.125 23.174 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 2.928 -5.667 23.954 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 2.434 -6.510 24.069 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 3.791 -5.837 24.388 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 0.962 4.890 27.879 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 0.947 5.823 27.575 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 1.152 4.951 28.820 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -2.204 -13.176 28.131 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -3.010 -13.589 28.505 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -2.353 -12.211 28.244 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 2.639 -12.849 28.104 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 3.220 -12.855 28.874 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 3.117 -13.384 27.443 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 6.299 -14.032 24.605 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 6.515 -14.724 23.968 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 6.609 -13.201 24.175 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -1.961 -15.131 26.165 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -2.372 -14.595 25.460 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -1.829 -14.497 26.900 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -12.135 -1.507 21.280 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -12.711 -1.020 21.882 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -12.453 -2.416 21.329 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 -3.027 -10.923 25.423 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 -3.944 -10.602 25.529 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 -2.641 -10.841 26.323 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 4.161 0.195 24.313 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 4.988 -0.328 24.228 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 3.734 -0.161 25.117 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 -5.696 1.586 22.655 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 -5.533 0.865 23.294 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 -5.345 2.372 23.095 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 -7.246 14.204 -13.447 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 -7.434 14.916 -12.806 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 -7.911 14.333 -14.148 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 -10.330 13.920 -3.927 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 -9.967 13.565 -4.774 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 -9.765 14.696 -3.738 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 -2.879 16.778 -4.726 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 -2.080 17.160 -4.298 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 -3.010 17.335 -5.521 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -2.192 21.057 -8.212 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -2.471 21.883 -7.768 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -2.697 20.355 -7.758 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 -3.340 14.040 -4.730 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 -3.310 15.023 -4.745 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 -2.434 13.776 -4.918 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -9.830 8.513 -10.801 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -10.103 8.706 -11.717 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -9.026 9.057 -10.672 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -12.360 11.917 -5.688 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -12.053 12.357 -6.516 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -11.600 11.354 -5.424 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 -6.472 11.494 -8.400 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 -6.825 12.397 -8.565 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 -6.744 10.986 -9.190 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 -7.634 10.759 -6.064 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 -7.286 10.785 -6.983 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 -6.876 11.044 -5.520 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -10.198 10.279 -5.220 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -10.126 10.496 -4.267 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -9.275 10.357 -5.553 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -0.820 17.834 -8.631 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -0.585 17.654 -9.570 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -0.079 18.359 -8.300 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 -7.735 13.924 -8.672 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 -8.636 14.243 -8.808 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 -7.388 14.487 -7.947 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 -5.391 17.319 -7.824 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 -5.939 17.394 -8.615 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -5.866 16.668 -7.266 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -9.179 13.032 -6.171 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -9.777 12.865 -6.920 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -8.540 12.295 -6.205 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -3.011 18.419 -7.124 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -3.825 17.978 -7.465 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -2.298 18.113 -7.734 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 0.083 17.528 -11.198 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 0.472 16.961 -11.866 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 -0.108 18.367 -11.676 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 -9.948 12.229 -10.292 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 -10.496 11.697 -9.696 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 -10.102 13.153 -9.990 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -0.505 19.826 -12.540 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -1.403 20.118 -12.309 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 0.058 20.589 -12.300 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -8.737 17.602 -6.071 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -8.699 17.154 -5.193 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -9.575 18.072 -6.059 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 -10.087 11.498 -2.604 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 -9.546 11.817 -1.850 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 -10.315 12.317 -3.095 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -7.863 10.514 -10.651 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -8.559 11.186 -10.481 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -7.515 10.751 -11.535 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -8.670 16.131 -3.777 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -9.278 16.548 -3.126 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -7.873 15.902 -3.240 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -13.423 9.112 -9.731 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -13.051 9.530 -10.534 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -13.602 9.861 -9.137 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 -12.037 11.067 -14.986 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 -11.707 11.702 -15.653 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 -12.622 11.603 -14.417 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 -12.185 10.792 -11.580 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 -11.932 11.608 -12.045 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 -11.728 10.084 -12.082 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -7.373 11.520 -13.208 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.176 12.490 -13.184 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -6.891 11.202 -13.978 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 4.252 21.852 -0.278 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 5.015 21.323 -0.027 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 4.496 22.763 -0.017 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 -0.873 16.171 -1.295 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 -0.760 16.590 -2.166 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 -0.462 16.790 -0.677 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 -7.044 15.550 -6.580 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 -7.680 16.280 -6.414 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 -6.999 15.077 -5.738 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -5.044 12.822 -2.783 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -5.303 12.293 -3.555 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -4.339 13.401 -3.121 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 -1.111 20.434 -4.858 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 -1.096 21.412 -4.981 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 -2.060 20.232 -4.654 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 -8.087 17.948 -9.028 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 -7.870 18.832 -9.411 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 -8.099 18.099 -8.067 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 -9.959 12.478 -12.987 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 -9.995 12.459 -12.008 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -9.151 11.969 -13.202 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 -5.233 12.127 -5.569 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 -5.235 12.038 -6.537 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 -4.595 12.851 -5.395 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -7.542 20.295 -10.287 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -7.955 20.550 -11.117 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -6.902 21.020 -10.107 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 -0.784 18.044 -3.443 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 -0.662 18.493 -2.578 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 -0.762 18.772 -4.093 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 1.080 21.472 -3.558 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 0.332 20.889 -3.789 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 0.814 22.342 -3.905 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -11.352 10.038 -0.647 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -11.007 10.454 -1.466 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -10.834 10.441 0.056 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 -8.017 16.394 -11.875 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 -7.303 16.762 -11.336 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 -8.817 16.508 -11.320 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 -10.300 17.028 -10.436 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 -9.658 17.421 -9.806 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 -10.585 16.190 -9.995 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 -9.551 14.271 -15.020 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 -10.046 13.914 -15.785 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 -9.783 13.660 -14.282 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 2.558 21.095 -5.894 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 1.871 20.639 -6.415 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 2.208 21.090 -4.984 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 -14.242 19.922 -7.816 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 -14.308 18.981 -7.603 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 -13.581 19.959 -8.548 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 -0.496 19.225 -0.994 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 0.230 19.885 -0.968 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 -0.564 18.910 -0.060 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -6.754 15.727 -1.955 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -5.862 16.128 -2.057 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -6.604 14.958 -1.371 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 -8.901 12.505 -0.255 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 -8.038 12.963 -0.399 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 -9.395 13.108 0.337 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 -3.167 14.913 -0.563 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 -3.663 15.507 -1.161 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 -2.227 15.148 -0.725 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -6.310 13.468 -0.450 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -5.614 13.552 0.231 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -5.826 13.136 -1.249 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 -4.253 16.744 -2.295 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 -3.847 16.755 -3.186 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 -3.911 17.562 -1.865 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -7.410 10.782 1.365 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 -7.967 11.344 0.792 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -7.128 10.064 0.791 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -10.506 7.963 2.839 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -11.247 8.539 3.129 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -10.789 7.628 1.983 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 -11.448 18.629 -12.381 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 -11.125 18.089 -11.624 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 -10.842 18.398 -13.107 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 -13.416 8.418 -1.361 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 -13.020 7.688 -1.896 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 -12.657 9.019 -1.179 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 -11.575 7.156 -9.180 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 -12.304 7.778 -9.391 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 -10.843 7.437 -9.776 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 -14.021 9.902 -6.420 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 -13.531 10.665 -6.047 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 -13.323 9.226 -6.574 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 -10.883 9.160 -13.365 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 -10.691 8.409 -13.937 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 -11.217 9.854 -13.985 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 -3.588 19.842 -3.990 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 -4.440 19.510 -4.292 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 -3.572 19.628 -3.035 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 3.379 23.465 -6.937 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 3.522 24.045 -6.163 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 3.192 22.583 -6.541 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 -12.483 20.096 -9.984 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 -12.213 21.007 -10.217 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 -12.254 19.572 -10.768 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 1.720 20.940 -0.921 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 1.576 21.154 -1.868 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 2.620 21.293 -0.730 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 -1.154 14.529 11.801 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 -1.639 15.000 11.107 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 -0.868 13.708 11.369 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -7.822 16.387 10.225 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -8.069 16.961 9.470 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -6.909 16.649 10.432 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 -8.098 10.484 7.473 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 -8.838 10.355 6.845 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -7.793 11.393 7.296 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 -7.036 14.560 4.491 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 -7.833 14.945 4.083 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 -6.807 13.799 3.908 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 -1.908 17.261 10.110 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 -1.565 16.620 9.449 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 -1.562 18.112 9.809 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 5.866 7.086 16.096 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 5.095 7.674 16.053 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 6.488 7.458 15.426 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 -1.748 10.997 11.351 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 -1.635 10.170 10.844 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 -2.718 11.126 11.378 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 2.692 7.663 13.850 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 1.944 8.170 14.233 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 2.688 6.814 14.347 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -0.592 19.140 6.266 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -1.033 19.944 6.617 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 0.016 18.868 6.991 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -7.274 16.157 14.591 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -7.248 17.129 14.652 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -6.329 15.892 14.587 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 4.986 8.456 12.617 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 4.732 9.403 12.558 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 4.232 8.039 13.083 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -8.212 18.971 15.266 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -9.082 19.427 15.218 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -7.847 19.054 14.360 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -9.434 15.771 3.765 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -9.700 16.454 4.400 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -9.130 16.284 2.973 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 -0.156 7.264 12.594 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 0.673 7.232 12.074 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 -0.012 8.001 13.229 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 -4.405 5.601 12.573 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 -4.843 4.997 11.945 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 -5.148 6.114 12.972 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 0.794 18.009 8.314 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 0.482 17.081 8.344 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 1.575 18.015 8.874 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -2.738 16.069 3.984 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -2.631 16.979 3.654 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -1.951 15.928 4.545 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 2.193 11.710 14.741 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 2.124 12.303 15.525 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 1.293 11.728 14.351 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -4.640 15.184 5.697 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -5.462 14.990 5.197 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -4.009 15.499 5.010 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 -5.027 17.424 10.283 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 -5.175 17.270 9.324 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 -4.075 17.275 10.401 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 0.544 22.703 6.853 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 0.591 22.249 5.988 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -0.134 22.210 7.345 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -10.429 13.702 5.319 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -9.981 13.836 6.181 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -10.040 14.388 4.742 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -9.303 16.261 12.623 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -8.879 16.292 11.739 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -8.554 16.257 13.246 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -1.798 17.785 15.304 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -1.415 17.653 14.403 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -1.223 17.254 15.886 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -2.994 23.484 6.344 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -2.473 24.189 5.931 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -3.567 23.956 6.985 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 1.547 20.165 1.753 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 2.186 20.761 2.196 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 1.570 20.446 0.816 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 0.554 21.871 4.220 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 1.431 21.895 3.779 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 0.134 21.079 3.862 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 0.380 9.157 14.488 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 0.287 9.163 15.464 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 0.105 10.058 14.218 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -7.313 8.623 9.293 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -6.365 8.639 9.071 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -7.699 9.348 8.748 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -7.089 13.003 6.739 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -6.315 12.444 6.513 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -7.129 13.654 6.007 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -1.536 13.149 9.252 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -1.584 12.291 9.704 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -2.172 13.065 8.504 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -9.219 14.504 7.744 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -8.466 13.906 7.549 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -8.930 14.996 8.529 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -9.889 10.067 5.369 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -9.293 9.345 5.094 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -10.192 10.456 4.538 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -0.460 11.678 13.757 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -0.884 11.444 12.902 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -1.049 12.355 14.137 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 -5.126 11.447 5.556 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 -5.393 10.500 5.517 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 -5.337 11.788 4.661 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -2.385 8.691 9.681 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -3.301 8.707 9.330 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -2.319 7.829 10.139 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -6.083 12.432 3.115 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -6.541 11.765 2.553 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -5.432 12.851 2.507 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.596 15.600 8.314 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -0.672 15.616 7.335 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -0.803 14.670 8.556 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -2.990 15.668 18.893 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -2.211 15.963 18.382 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -2.828 14.718 19.042 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -7.835 17.867 7.919 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -6.946 17.500 7.724 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -7.783 18.779 7.625 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -1.970 18.889 3.894 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -1.415 18.931 4.701 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -2.597 19.632 4.004 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -4.632 15.405 14.654 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -3.768 14.944 14.674 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -4.400 16.349 14.738 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 0.467 15.139 15.459 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 0.994 14.444 15.919 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 1.121 15.630 14.945 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -1.828 21.315 7.602 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -2.152 22.122 7.150 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -2.586 21.034 8.154 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -11.566 12.180 3.220 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -11.291 12.619 4.052 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -11.155 12.723 2.519 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -5.257 17.063 7.562 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -4.975 17.859 7.055 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -5.019 16.308 6.973 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 -4.448 18.302 14.887 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 -4.679 19.104 15.405 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 -3.471 18.243 14.958 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -4.751 19.495 6.417 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -4.298 20.015 5.718 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -4.554 19.984 7.241 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -0.938 17.139 12.776 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -1.363 17.439 11.953 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -0.754 16.196 12.614 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -0.491 16.351 5.625 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 0.295 16.290 5.070 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -0.584 17.309 5.806 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -3.385 21.138 4.742 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 -3.608 21.493 3.848 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -3.194 21.938 5.272 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 -4.740 8.598 8.132 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 -5.028 9.407 7.679 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 -4.546 7.976 7.398 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -1.766 8.346 6.951 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -1.017 8.895 6.699 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -1.849 8.482 7.916 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -5.976 8.844 5.371 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -5.320 8.119 5.304 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -6.761 8.509 4.883 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 4.185 11.014 12.986 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 4.401 11.823 12.512 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 3.407 11.259 13.538 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -12.641 9.675 3.259 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -12.380 10.612 3.100 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -13.311 9.491 2.569 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -6.505 6.840 13.780 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -7.063 7.230 13.060 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -6.741 7.364 14.575 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -5.319 20.488 16.420 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -5.718 21.140 15.802 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -6.054 20.253 17.021 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -2.713 18.506 17.824 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -2.539 18.310 16.880 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -1.944 18.131 18.285 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -0.538 18.429 1.548 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -1.100 18.539 2.340 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 0.264 18.963 1.746 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 -3.244 19.068 -1.325 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 -2.281 19.046 -1.149 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 -3.500 19.998 -1.133 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -1.954 14.190 14.419 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -1.165 14.525 14.893 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -1.742 14.332 13.474 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -3.318 13.113 7.085 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -3.756 12.391 6.593 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -3.678 13.927 6.678 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -4.320 13.933 1.637 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -3.835 14.198 0.815 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -3.864 14.416 2.341 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 0.188 9.359 17.282 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -0.112 9.890 18.057 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 1.086 9.094 17.513 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 1.970 13.372 16.886 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 1.348 13.469 17.648 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 2.861 13.369 17.308 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -7.475 8.220 15.951 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -7.931 9.077 15.824 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -8.177 7.622 16.283 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 4.323 13.178 18.217 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 4.689 12.271 18.176 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 4.811 13.598 18.931 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 5.349 10.607 18.061 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 4.952 10.318 17.204 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 6.297 10.499 17.929 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 7.265 8.175 14.026 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 8.013 8.421 13.474 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 6.482 8.281 13.435 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 4.244 9.967 15.684 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 3.404 10.459 15.590 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 4.634 10.000 14.796 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 6.606 1.010 19.983 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 6.187 1.845 19.668 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 6.752 0.489 19.161 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 7.035 2.850 16.892 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 6.442 2.936 17.666 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 6.634 3.433 16.220 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -13.173 10.090 6.014 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -13.050 9.948 5.053 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -12.292 9.938 6.387 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 -10.996 4.646 14.736 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 -10.087 4.764 14.382 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 -10.855 4.243 15.617 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -2.994 23.185 15.620 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -2.938 22.599 16.403 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -2.164 23.038 15.158 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 2.853 5.086 14.910 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 2.234 4.599 14.316 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 2.538 4.862 15.818 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -8.155 24.080 9.948 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -8.359 23.878 10.882 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -7.427 23.474 9.729 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -4.249 20.693 8.853 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -4.730 21.503 9.142 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -4.546 20.010 9.469 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -6.487 18.600 13.076 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -6.185 18.375 12.185 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -5.678 18.542 13.626 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -2.105 6.227 11.095 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -2.918 6.028 11.611 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -1.486 6.616 11.760 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 2.247 7.065 11.217 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 3.036 7.140 10.667 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 2.564 7.276 12.121 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -8.078 7.618 11.757 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -7.848 8.031 10.896 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -8.673 6.878 11.515 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -5.126 5.653 8.899 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -4.773 6.536 9.061 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.871 5.805 8.278 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 -3.915 7.089 5.893 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 -3.071 7.552 6.115 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 -3.658 6.166 5.795 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -7.105 6.717 7.271 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -6.977 7.448 6.649 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -7.553 7.129 8.032 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -6.710 1.791 17.510 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -7.617 1.923 17.863 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -6.369 2.702 17.371 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -4.077 10.724 27.163 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -4.972 11.098 27.028 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -3.726 11.214 27.912 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -9.310 12.162 26.257 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -9.314 12.954 25.677 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -10.184 12.197 26.706 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -9.695 14.450 24.731 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 -10.151 14.783 23.944 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 -8.780 14.786 24.635 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -7.331 8.851 26.817 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -7.638 8.420 27.649 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -8.143 8.930 26.274 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 1.282 7.338 26.696 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 1.567 8.228 26.935 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 2.045 6.964 26.199 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -6.713 11.508 26.854 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -6.818 10.531 26.889 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -7.633 11.837 26.734 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 -6.282 11.362 21.895 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 -7.057 11.142 21.344 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 -6.310 10.702 22.613 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -2.849 11.725 23.739 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -2.849 12.156 24.603 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -3.506 10.991 23.838 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -4.531 9.652 24.049 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -5.470 9.451 23.859 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -4.333 9.117 24.846 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 0.285 13.851 18.945 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 0.290 14.571 19.604 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -0.633 13.516 18.965 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 -7.135 15.212 24.140 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 -6.607 14.776 24.852 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 -6.794 16.130 24.119 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 2.669 3.261 19.840 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 2.887 2.321 20.042 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 2.822 3.725 20.688 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -8.906 11.356 20.868 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -9.427 11.502 20.042 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -8.739 12.260 21.209 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -1.866 17.407 22.939 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 -1.519 17.980 22.227 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -1.335 17.636 23.709 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -8.734 18.803 23.043 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 -8.652 19.780 22.914 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -9.684 18.657 23.119 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 -0.548 20.988 19.080 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 -0.064 21.815 19.150 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 -1.360 21.226 18.592 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -2.324 12.941 19.063 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -2.826 12.530 18.323 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -2.905 12.808 19.855 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -7.112 9.109 23.392 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -7.380 8.201 23.198 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -7.799 9.429 24.022 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -1.950 4.827 23.069 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -1.294 4.416 22.489 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -1.409 5.342 23.713 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -4.710 8.184 26.377 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -5.680 8.279 26.512 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -4.332 8.981 26.810 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -10.444 11.534 18.649 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -11.410 11.669 18.793 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -10.296 11.829 17.725 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -6.572 5.527 23.963 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -7.257 5.033 24.466 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -6.970 5.648 23.079 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 -9.251 9.735 24.961 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -9.368 10.617 25.378 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 -9.936 9.706 24.263 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 -5.916 14.041 26.267 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 -6.130 13.087 26.357 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 -5.902 14.364 27.172 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -10.648 9.842 22.446 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -9.974 10.427 22.046 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -11.008 9.347 21.688 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -0.764 10.567 19.502 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -1.142 11.447 19.327 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -0.687 10.530 20.483 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 -0.921 10.470 22.214 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 -0.332 10.180 22.918 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 -1.611 10.994 22.678 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 -4.496 17.446 22.029 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 -5.123 17.471 22.785 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 -3.639 17.184 22.435 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 -9.506 15.920 21.999 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 -8.924 16.672 22.166 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 -8.899 15.179 21.822 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 -7.720 13.699 21.953 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 -7.006 13.032 21.921 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 -7.524 14.218 22.765 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -6.377 17.867 24.002 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -7.227 18.193 23.614 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -6.209 18.470 24.737 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 -0.260 16.145 20.482 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 -0.421 17.112 20.466 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 -0.740 15.841 21.266 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.833 12.582 21.288 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -3.405 12.456 22.158 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -4.739 12.238 21.418 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -0.061 6.340 24.391 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 0.644 6.707 23.807 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 0.066 6.809 25.238 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 -3.666 19.684 20.769 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 -4.418 20.288 20.655 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 -3.987 19.021 21.414 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -2.813 3.594 26.964 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -2.466 3.963 27.784 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -3.372 4.321 26.592 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -7.599 19.891 17.816 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -7.897 19.444 16.992 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -7.991 20.795 17.753 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 -7.501 9.205 19.994 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 -8.086 8.486 19.681 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 -8.118 9.912 20.270 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -11.264 23.779 26.930 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -12.149 23.335 26.963 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -11.007 23.861 27.854 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -2.915 21.190 17.541 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -3.836 21.153 17.209 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -2.714 20.260 17.773 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 -0.632 16.476 17.655 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 -0.192 16.352 18.518 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 -0.173 15.849 17.059 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 -6.490 19.740 20.351 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 -6.958 19.882 19.498 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -7.085 20.122 21.013 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 -9.878 23.132 24.606 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 -10.590 23.512 24.077 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 -10.160 23.286 25.529 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 3.681 9.140 19.755 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 3.118 9.810 20.155 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 4.289 9.648 19.181 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 5.409 3.300 19.051 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 4.448 3.293 19.237 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 5.637 4.253 19.006 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 2.181 7.314 23.143 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 2.695 7.134 22.345 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 2.730 6.950 23.869 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 3.918 4.323 22.093 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 3.920 5.188 21.623 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 4.834 4.203 22.365 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 4.311 6.610 20.631 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 4.953 6.345 19.944 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 4.058 7.528 20.377 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -7.682 5.870 21.393 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -7.843 4.953 21.138 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -8.227 6.392 20.760 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -4.331 5.526 25.702 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -4.369 6.457 26.010 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -5.099 5.444 25.100 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 2.564 1.945 22.908 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 2.979 2.818 22.763 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 3.246 1.434 23.392 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -9.178 7.111 19.451 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -9.220 6.887 18.494 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -9.970 7.676 19.598 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -1.103 18.784 20.602 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -2.017 19.150 20.626 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -0.590 19.471 20.117 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 -0.083 32.560 -9.699 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 -0.828 32.010 -10.033 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 -0.310 32.710 -8.750 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 1.117 38.335 -9.392 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 1.301 39.245 -9.629 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 0.981 37.885 -10.256 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 2.423 25.128 -8.877 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 2.712 24.456 -8.215 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 3.196 25.252 -9.438 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 -2.470 23.711 -7.245 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 -2.825 24.482 -6.757 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 -2.246 24.072 -8.131 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 3.100 25.161 -4.679 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 2.574 25.597 -5.381 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 3.058 25.793 -3.928 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 1.651 26.560 -6.628 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 1.454 27.485 -6.891 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 1.828 26.103 -7.478 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -0.475 32.320 -7.009 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -1.452 32.439 -6.908 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -0.204 31.866 -6.193 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -0.489 25.936 -4.965 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -0.998 26.772 -5.049 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 0.319 26.097 -5.490 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 0.837 37.390 -11.922 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 0.696 36.420 -11.817 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 0.851 37.524 -12.870 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 0.477 34.722 -11.658 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 0.883 33.927 -12.043 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 0.135 34.420 -10.802 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 1.355 37.413 -6.808 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 0.490 36.987 -6.635 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 1.304 37.684 -7.752 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -3.166 31.143 -14.437 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -3.154 31.693 -15.225 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -2.250 31.184 -14.103 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -2.147 30.967 -10.382 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -2.615 31.635 -9.811 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -2.708 30.171 -10.320 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 1.333 32.083 -12.033 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 2.272 32.078 -11.734 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 0.822 32.136 -11.201 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 1.896 29.648 -2.853 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 1.719 30.139 -3.685 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 1.039 29.246 -2.631 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 0.683 30.440 -5.191 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 0.873 29.895 -5.982 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 0.014 29.913 -4.695 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -6.871 28.637 -14.888 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -6.257 27.916 -15.056 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -6.338 29.295 -14.384 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -4.103 34.519 -10.706 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -3.766 33.921 -9.989 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -3.425 35.201 -10.781 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 -7.729 39.270 -9.454 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 -7.476 39.333 -8.507 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -8.607 39.702 -9.492 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -13.837 38.722 -11.347 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -14.118 37.850 -11.696 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -12.855 38.672 -11.340 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 -6.450 35.756 -11.682 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 -6.830 34.968 -12.116 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 -5.603 35.437 -11.310 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -3.884 27.039 -8.477 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -3.776 26.729 -7.550 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -3.811 28.013 -8.410 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -14.431 27.837 -12.879 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -13.641 27.781 -13.446 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -14.988 27.096 -13.175 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -7.526 29.686 -11.575 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -6.847 29.699 -12.283 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -7.015 29.853 -10.758 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -9.240 31.227 -13.166 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -8.733 30.702 -12.511 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -9.476 30.576 -13.859 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -9.847 28.095 -11.203 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -9.032 28.566 -11.479 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -9.545 27.495 -10.490 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -5.402 30.178 -9.582 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -4.915 30.176 -8.736 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -4.879 29.572 -10.157 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 2.085 31.628 -8.294 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 1.947 32.059 -7.437 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 1.362 31.980 -8.856 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -3.627 28.697 -10.979 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -3.332 27.797 -10.756 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -3.227 28.867 -11.850 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -1.297 29.357 -12.452 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -1.464 30.006 -11.737 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -0.830 29.874 -13.137 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -2.548 34.412 -4.778 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -2.784 33.691 -5.413 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -3.408 34.655 -4.360 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -3.446 29.632 -7.468 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -2.963 29.154 -6.759 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -3.309 30.578 -7.251 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -11.189 33.238 -13.665 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -10.584 32.491 -13.486 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -10.661 34.028 -13.456 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -9.532 41.239 -13.694 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -9.087 40.428 -13.975 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -8.994 41.552 -12.928 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -0.471 38.210 -3.923 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -0.676 37.638 -4.691 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 0.489 38.396 -4.015 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 3.604 32.216 -10.537 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 3.222 31.945 -9.679 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 4.433 32.642 -10.304 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -10.898 40.718 -16.042 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -10.435 41.161 -15.306 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -11.453 41.421 -16.436 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -9.574 35.593 -13.104 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -9.216 36.338 -12.579 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -8.882 34.901 -13.034 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -2.172 25.212 -9.552 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -2.801 25.823 -9.117 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -2.039 25.608 -10.440 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -5.638 32.316 -11.377 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -5.041 33.071 -11.179 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -5.492 31.694 -10.634 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -5.619 24.863 -8.774 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -5.079 25.671 -8.872 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -5.550 24.644 -7.838 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 0.427 22.140 -11.284 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 1.013 21.938 -10.518 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 0.455 23.113 -11.352 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -8.429 37.648 -11.532 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -8.139 38.265 -10.821 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -7.652 37.054 -11.657 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -9.363 24.135 -10.102 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -9.168 24.993 -9.692 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -8.505 23.695 -10.150 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 0.320 27.423 -1.773 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 1.075 26.855 -2.017 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -0.098 27.649 -2.633 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -3.568 26.054 -6.047 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.268 25.991 -5.376 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -2.983 26.786 -5.722 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -11.678 38.134 -16.198 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -11.258 39.029 -16.203 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -11.353 37.711 -17.031 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -11.479 27.783 -13.477 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -10.917 28.287 -14.102 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -10.957 27.774 -12.648 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -6.585 36.907 1.601 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -7.482 37.272 1.414 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -6.394 36.353 0.835 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -2.576 36.383 -1.533 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -3.363 35.790 -1.585 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -1.861 35.866 -1.956 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 -0.800 34.692 -2.752 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 -0.016 35.129 -3.107 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 -1.382 34.563 -3.543 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 -7.796 33.488 -12.599 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 -7.054 33.025 -12.150 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 -8.348 32.758 -12.952 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 -5.480 30.344 -13.301 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 -4.646 30.485 -13.806 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 -5.532 31.127 -12.713 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 -3.258 32.393 2.232 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 -4.035 32.556 1.641 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 -2.933 33.295 2.450 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 1.386 28.947 0.441 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 2.300 29.084 0.120 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 0.979 28.370 -0.237 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 -11.050 36.878 -18.503 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 -11.557 37.172 -19.297 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 -10.359 36.316 -18.863 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 -12.043 41.892 -12.729 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 -12.603 41.199 -13.130 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 -11.141 41.703 -13.075 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 -11.592 41.774 -7.948 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 -11.902 42.347 -8.682 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 -12.418 41.419 -7.553 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 -0.424 33.015 1.107 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 -0.403 33.909 1.477 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 -1.031 33.090 0.340 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 -0.277 31.278 -14.105 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 0.311 31.634 -13.397 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 0.285 31.252 -14.886 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 4.783 31.004 1.296 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 4.705 31.938 1.070 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 4.453 30.534 0.494 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 5.554 27.895 -2.116 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 6.191 28.011 -2.832 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 6.060 27.418 -1.417 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 -1.585 26.757 -11.704 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 -1.388 27.646 -12.074 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 -0.752 26.265 -11.807 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 2.997 27.102 -2.806 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 3.924 27.193 -2.502 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 2.703 28.020 -2.949 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 1.040 29.121 -7.581 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 1.577 29.868 -7.922 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 0.191 29.214 -8.035 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 3.994 24.443 2.615 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 4.010 25.370 2.925 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 4.411 24.480 1.731 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 0.370 24.873 -10.700 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 1.095 24.989 -10.050 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 -0.430 24.782 -10.149 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 5.223 24.481 0.103 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 5.948 25.128 0.073 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 4.916 24.423 -0.833 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 -2.494 38.995 -2.308 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 -2.539 38.150 -1.801 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 -1.744 38.851 -2.940 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 2.215 38.457 -4.481 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 1.985 38.039 -5.347 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 3.101 38.799 -4.614 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 4.486 23.977 -2.486 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 4.327 23.026 -2.511 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 4.074 24.311 -3.307 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 -10.365 39.976 -4.965 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 -10.234 39.874 -3.994 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 -10.511 40.923 -5.085 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 -3.467 37.733 -6.463 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 -3.874 37.676 -5.574 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 -3.693 38.614 -6.772 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 -1.105 36.460 -5.980 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 -1.493 35.611 -5.683 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 -1.875 36.961 -6.332 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 -12.644 38.527 -5.689 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 -11.765 38.863 -5.410 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 -13.050 39.289 -6.155 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 -4.482 37.684 -3.929 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 -4.656 36.734 -3.703 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 -3.756 37.941 -3.333 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 0.238 20.258 -7.268 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 -0.183 20.066 -6.406 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 -0.514 20.533 -7.842 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 1.844 21.796 -8.972 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 2.506 22.207 -8.399 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 1.336 21.216 -8.374 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 -13.052 28.558 -10.602 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 -12.107 28.608 -10.821 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 -13.472 28.229 -11.424 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 -11.769 22.679 -10.985 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 -12.358 23.454 -11.058 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 -10.929 23.052 -10.642 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 -2.269 21.404 -10.962 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 -2.260 21.158 -10.017 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 -1.392 21.802 -11.113 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 -0.699 23.162 -5.183 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 -0.540 24.101 -4.941 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 -1.241 23.220 -5.998 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 -11.137 38.378 -11.633 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 -11.399 37.862 -12.420 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 -10.179 38.188 -11.533 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 -5.860 22.496 -10.168 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 -4.954 22.269 -10.419 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 -5.779 23.381 -9.748 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 -4.490 30.875 6.649 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 -4.602 30.062 6.114 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 -4.457 31.600 5.979 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 -13.010 27.630 10.610 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 -13.009 26.894 9.958 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 -12.187 27.511 11.101 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 -11.199 35.645 8.471 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 -11.121 35.459 9.428 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 -10.302 35.458 8.118 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 -4.311 33.138 10.348 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 -4.016 33.373 11.230 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 -3.918 32.250 10.192 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 0.818 28.973 6.182 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 0.479 28.538 6.982 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 1.257 28.247 5.680 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 -3.080 30.673 10.124 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 -3.222 29.765 10.449 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 -2.579 30.559 9.300 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 -6.468 28.048 10.340 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 -7.088 27.440 9.887 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 -6.445 28.841 9.758 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 -8.129 26.544 8.675 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 -7.478 26.311 7.978 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 -8.296 25.693 9.143 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 -5.061 24.598 14.494 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 -4.663 25.416 14.125 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 -4.309 24.151 14.951 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 -4.945 28.928 4.763 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 -5.692 29.400 4.368 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 -4.155 29.284 4.284 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 -0.344 30.876 4.692 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 0.134 30.176 5.205 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 0.162 30.939 3.846 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 -5.922 34.547 8.602 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 -5.330 34.808 7.860 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 -5.308 34.165 9.273 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 -7.587 32.478 8.946 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 -8.246 32.760 9.609 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 -6.999 33.264 8.842 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 -2.799 30.098 3.639 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 -1.898 30.177 4.020 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 -2.963 30.979 3.232 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 3.073 21.956 3.156 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 3.760 21.719 3.788 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 3.303 22.881 2.888 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 -10.913 35.070 11.179 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 -10.528 35.722 11.775 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 -11.718 34.749 11.659 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 -11.135 38.192 4.195 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 -12.045 38.270 4.533 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 -10.999 39.010 3.689 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 -5.535 22.968 9.742 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 -5.419 23.335 10.626 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 -5.207 23.679 9.139 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 0.991 30.987 2.291 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 0.552 31.765 1.879 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 1.049 30.332 1.562 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 -6.382 30.107 8.541 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 -5.571 30.346 8.045 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 -6.751 30.978 8.826 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 -1.848 30.679 7.453 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 -2.800 30.838 7.272 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 -1.423 30.764 6.583 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 -0.487 28.623 8.640 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 -0.909 29.414 8.233 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 0.163 28.988 9.251 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 -9.463 29.094 13.070 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 -9.808 29.157 13.994 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 -8.592 28.671 13.170 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 -3.761 27.967 10.886 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 -3.386 27.546 10.080 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 -4.725 28.023 10.699 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 -4.134 27.031 13.468 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 -3.473 27.519 13.972 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 -3.954 27.280 12.533 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 -4.652 32.704 4.666 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 -4.059 32.775 3.895 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 -5.438 33.214 4.409 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 -1.498 26.124 3.925 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 -0.786 25.520 4.228 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 -1.016 26.841 3.453 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 -8.856 29.159 7.735 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 -7.962 29.492 7.964 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 -8.862 28.242 8.076 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 -5.335 35.753 3.850 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 -4.398 35.595 3.594 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 -5.704 36.267 3.102 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 -13.311 29.471 16.090 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 -13.413 28.867 16.857 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 -13.369 30.371 16.487 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 3.334 29.826 3.304 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 2.444 30.203 3.151 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 3.893 30.255 2.622 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 -4.367 34.989 6.408 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 -4.687 35.591 5.714 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 -4.060 34.210 5.920 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 -7.315 31.687 5.866 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 -7.288 32.552 5.393 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 -6.482 31.661 6.361 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 -9.035 36.432 5.030 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 -9.871 36.906 4.817 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 -8.344 37.016 4.694 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 -2.763 34.796 3.405 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 -2.073 34.550 4.063 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 -2.268 35.272 2.700 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 -10.247 28.848 18.170 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 -10.246 28.992 19.133 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 -10.641 27.957 18.060 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 -1.084 33.512 5.154 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 -0.784 32.606 4.935 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 -0.927 33.591 6.100 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 -3.263 26.893 5.846 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 -2.648 26.625 5.123 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 -3.886 27.506 5.414 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 -1.920 35.913 1.092 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 -2.539 36.625 1.382 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 -1.961 35.955 0.117 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 -4.551 25.002 8.169 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 -3.873 25.660 8.436 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 -5.184 25.521 7.623 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 -7.320 34.160 4.714 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 -6.621 34.775 4.393 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 -8.112 34.724 4.789 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 -8.716 35.047 7.463 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 -8.725 35.609 6.660 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 -7.781 35.037 7.739 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 -1.933 41.343 -0.907 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 -1.953 40.498 -1.402 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 -0.985 41.607 -0.918 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 -5.361 32.893 0.653 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 -6.119 32.474 0.233 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 -5.025 33.523 -0.029 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 -7.928 30.974 20.342 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 -7.311 31.627 20.687 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 -8.009 31.194 19.406 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 -2.087 33.027 -1.050 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 -1.544 33.554 -1.681 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 -2.991 33.422 -1.129 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 5.365 30.519 5.079 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 4.546 30.238 4.624 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 5.068 30.805 5.946 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 -7.684 25.465 14.377 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 -6.746 25.182 14.448 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 -7.637 26.328 13.908 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 -6.918 27.777 13.069 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 -5.994 27.697 13.365 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 -6.845 27.943 12.102 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 -10.575 29.392 15.528 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 -11.548 29.459 15.565 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 -10.310 29.268 16.466 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 -8.382 23.375 12.710 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 -9.242 23.051 12.999 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 -8.233 24.180 13.253 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 -11.098 26.270 17.752 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 -11.454 25.548 18.312 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 -10.302 25.879 17.341 1.00 0.00 WAT1 ATOM 5336 OH2 TIP3 1277 -6.670 22.362 14.921 1.00 0.00 WAT1 ATOM 5337 H1 TIP3 1277 -6.080 23.133 14.770 1.00 0.00 WAT1 ATOM 5338 H2 TIP3 1277 -7.179 22.291 14.096 1.00 0.00 WAT1 ATOM 5339 OH2 TIP3 1278 -8.176 22.503 17.278 1.00 0.00 WAT1 ATOM 5340 H1 TIP3 1278 -7.683 22.450 16.437 1.00 0.00 WAT1 ATOM 5341 H2 TIP3 1278 -8.492 23.429 17.309 1.00 0.00 WAT1 ATOM 5342 OH2 TIP3 1279 -3.909 37.709 1.654 1.00 0.00 WAT1 ATOM 5343 H1 TIP3 1279 -4.867 37.546 1.705 1.00 0.00 WAT1 ATOM 5344 H2 TIP3 1279 -3.843 38.617 1.282 1.00 0.00 WAT1 ATOM 5345 OH2 TIP3 1280 -13.864 38.281 5.350 1.00 0.00 WAT1 ATOM 5346 H1 TIP3 1280 -13.552 37.996 6.237 1.00 0.00 WAT1 ATOM 5347 H2 TIP3 1280 -14.724 37.851 5.257 1.00 0.00 WAT1 ATOM 5348 OH2 TIP3 1281 -10.124 32.655 10.091 1.00 0.00 WAT1 ATOM 5349 H1 TIP3 1281 -10.392 33.525 10.460 1.00 0.00 WAT1 ATOM 5350 H2 TIP3 1281 -10.416 32.007 10.774 1.00 0.00 WAT1 ATOM 5351 OH2 TIP3 1282 6.761 29.792 2.850 1.00 0.00 WAT1 ATOM 5352 H1 TIP3 1282 6.195 30.295 2.233 1.00 0.00 WAT1 ATOM 5353 H2 TIP3 1282 6.486 30.111 3.739 1.00 0.00 WAT1 ATOM 5354 OH2 TIP3 1283 -11.117 30.978 12.012 1.00 0.00 WAT1 ATOM 5355 H1 TIP3 1283 -10.542 30.203 12.231 1.00 0.00 WAT1 ATOM 5356 H2 TIP3 1283 -11.261 31.409 12.864 1.00 0.00 WAT1 ATOM 5357 OH2 TIP3 1284 0.109 27.977 2.756 1.00 0.00 WAT1 ATOM 5358 H1 TIP3 1284 0.821 27.747 3.389 1.00 0.00 WAT1 ATOM 5359 H2 TIP3 1284 0.586 28.312 1.972 1.00 0.00 WAT1 ATOM 5360 OH2 TIP3 1285 1.847 26.980 4.665 1.00 0.00 WAT1 ATOM 5361 H1 TIP3 1285 1.519 26.055 4.727 1.00 0.00 WAT1 ATOM 5362 H2 TIP3 1285 2.739 26.893 4.265 1.00 0.00 WAT1 ATOM 5363 OH2 TIP3 1286 -14.919 29.443 11.192 1.00 0.00 WAT1 ATOM 5364 H1 TIP3 1286 -14.193 28.807 10.980 1.00 0.00 WAT1 ATOM 5365 H2 TIP3 1286 -14.893 29.518 12.175 1.00 0.00 WAT1 ATOM 5366 OH2 TIP3 1287 4.208 27.149 3.286 1.00 0.00 WAT1 ATOM 5367 H1 TIP3 1287 5.135 27.155 2.976 1.00 0.00 WAT1 ATOM 5368 H2 TIP3 1287 3.953 28.097 3.295 1.00 0.00 WAT1 ATOM 5369 OH2 TIP3 1288 -13.308 37.285 7.862 1.00 0.00 WAT1 ATOM 5370 H1 TIP3 1288 -12.623 36.584 7.980 1.00 0.00 WAT1 ATOM 5371 H2 TIP3 1288 -13.150 37.891 8.596 1.00 0.00 WAT1 ATOM 5372 OH2 TIP3 1289 -2.746 27.056 8.501 1.00 0.00 WAT1 ATOM 5373 H1 TIP3 1289 -2.902 27.040 7.527 1.00 0.00 WAT1 ATOM 5374 H2 TIP3 1289 -1.856 27.464 8.591 1.00 0.00 WAT1 ATOM 5375 OH2 TIP3 1290 0.565 24.582 4.862 1.00 0.00 WAT1 ATOM 5376 H1 TIP3 1290 0.649 24.289 5.793 1.00 0.00 WAT1 ATOM 5377 H2 TIP3 1290 0.514 23.745 4.359 1.00 0.00 WAT1 ATOM 5378 OH2 TIP3 1291 0.717 42.004 -0.988 1.00 0.00 WAT1 ATOM 5379 H1 TIP3 1291 1.253 42.688 -1.401 1.00 0.00 WAT1 ATOM 5380 H2 TIP3 1291 1.358 41.407 -0.589 1.00 0.00 WAT1 ATOM 5381 OH2 TIP3 1292 -12.281 24.341 19.262 1.00 0.00 WAT1 ATOM 5382 H1 TIP3 1292 -12.591 24.250 20.184 1.00 0.00 WAT1 ATOM 5383 H2 TIP3 1292 -13.090 24.553 18.755 1.00 0.00 WAT1 ATOM 5384 OH2 TIP3 1293 -9.023 37.743 0.606 1.00 0.00 WAT1 ATOM 5385 H1 TIP3 1293 -9.946 37.532 0.379 1.00 0.00 WAT1 ATOM 5386 H2 TIP3 1293 -9.025 38.720 0.722 1.00 0.00 WAT1 ATOM 5387 OH2 TIP3 1294 -8.648 25.238 16.941 1.00 0.00 WAT1 ATOM 5388 H1 TIP3 1294 -8.433 25.303 15.983 1.00 0.00 WAT1 ATOM 5389 H2 TIP3 1294 -8.053 25.873 17.360 1.00 0.00 WAT1 ATOM 5390 OH2 TIP3 1295 -12.509 27.494 20.757 1.00 0.00 WAT1 ATOM 5391 H1 TIP3 1295 -11.681 26.990 20.869 1.00 0.00 WAT1 ATOM 5392 H2 TIP3 1295 -12.390 28.276 21.321 1.00 0.00 WAT1 ATOM 5393 OH2 TIP3 1296 -11.887 29.574 22.723 1.00 0.00 WAT1 ATOM 5394 H1 TIP3 1296 -11.329 29.778 21.940 1.00 0.00 WAT1 ATOM 5395 H2 TIP3 1296 -11.368 28.898 23.213 1.00 0.00 WAT1 ATOM 5396 OH2 TIP3 1297 -8.681 21.506 22.709 1.00 0.00 WAT1 ATOM 5397 H1 TIP3 1297 -9.065 22.013 21.962 1.00 0.00 WAT1 ATOM 5398 H2 TIP3 1297 -8.948 22.019 23.504 1.00 0.00 WAT1 ATOM 5399 OH2 TIP3 1298 -9.903 29.237 20.920 1.00 0.00 WAT1 ATOM 5400 H1 TIP3 1298 -9.168 29.861 20.713 1.00 0.00 WAT1 ATOM 5401 H2 TIP3 1298 -9.550 28.682 21.636 1.00 0.00 WAT1 ATOM 5402 OH2 TIP3 1299 -12.693 23.901 22.069 1.00 0.00 WAT1 ATOM 5403 H1 TIP3 1299 -13.087 23.011 22.177 1.00 0.00 WAT1 ATOM 5404 H2 TIP3 1299 -12.736 24.290 22.972 1.00 0.00 WAT1 ATOM 5405 OH2 TIP3 1300 -10.054 22.931 20.761 1.00 0.00 WAT1 ATOM 5406 H1 TIP3 1300 -9.947 22.958 19.801 1.00 0.00 WAT1 ATOM 5407 H2 TIP3 1300 -10.993 22.705 20.886 1.00 0.00 WAT1 ATOM 5408 OH2 TIP3 1301 -10.006 27.683 23.358 1.00 0.00 WAT1 ATOM 5409 H1 TIP3 1301 -9.658 27.309 24.175 1.00 0.00 WAT1 ATOM 5410 H2 TIP3 1301 -10.180 26.896 22.789 1.00 0.00 WAT1 ATOM 5411 OH2 TIP3 1302 -14.520 47.302 -18.748 1.00 0.00 WAT1 ATOM 5412 H1 TIP3 1302 -15.286 47.904 -18.597 1.00 0.00 WAT1 ATOM 5413 H2 TIP3 1302 -14.254 47.021 -17.846 1.00 0.00 WAT1 ATOM 5414 OH2 TIP3 1303 -12.649 48.823 -24.130 1.00 0.00 WAT1 ATOM 5415 H1 TIP3 1303 -13.045 49.251 -23.346 1.00 0.00 WAT1 ATOM 5416 H2 TIP3 1303 -12.242 48.025 -23.783 1.00 0.00 WAT1 ATOM 5417 OH2 TIP3 1304 -10.145 40.435 -9.854 1.00 0.00 WAT1 ATOM 5418 H1 TIP3 1304 -10.793 39.899 -10.347 1.00 0.00 WAT1 ATOM 5419 H2 TIP3 1304 -10.673 40.863 -9.145 1.00 0.00 WAT1 ATOM 5420 OH2 TIP3 1305 -5.895 39.825 -4.779 1.00 0.00 WAT1 ATOM 5421 H1 TIP3 1305 -5.774 40.390 -3.999 1.00 0.00 WAT1 ATOM 5422 H2 TIP3 1305 -5.460 38.982 -4.528 1.00 0.00 WAT1 ATOM 5423 OH2 TIP3 1306 -7.747 39.651 -6.755 1.00 0.00 WAT1 ATOM 5424 H1 TIP3 1306 -8.558 39.740 -6.234 1.00 0.00 WAT1 ATOM 5425 H2 TIP3 1306 -7.023 39.765 -6.095 1.00 0.00 WAT1 ATOM 5426 OH2 TIP3 1307 -3.890 43.024 -1.647 1.00 0.00 WAT1 ATOM 5427 H1 TIP3 1307 -3.105 42.515 -1.341 1.00 0.00 WAT1 ATOM 5428 H2 TIP3 1307 -3.733 43.915 -1.326 1.00 0.00 WAT1 ATOM 5429 OH2 TIP3 1308 -14.228 43.515 -12.985 1.00 0.00 WAT1 ATOM 5430 H1 TIP3 1308 -14.395 43.483 -13.952 1.00 0.00 WAT1 ATOM 5431 H2 TIP3 1308 -13.344 43.102 -12.884 1.00 0.00 WAT1 ATOM 5432 OH2 TIP3 1309 -14.670 43.433 -9.478 1.00 0.00 WAT1 ATOM 5433 H1 TIP3 1309 -14.743 44.322 -9.066 1.00 0.00 WAT1 ATOM 5434 H2 TIP3 1309 -13.732 43.374 -9.750 1.00 0.00 WAT1 ATOM 5435 OH2 TIP3 1310 -10.392 43.239 -5.978 1.00 0.00 WAT1 ATOM 5436 H1 TIP3 1310 -10.752 42.735 -6.742 1.00 0.00 WAT1 ATOM 5437 H2 TIP3 1310 -9.438 43.233 -6.119 1.00 0.00 WAT1 ATOM 5438 OH2 TIP3 1311 -4.938 40.563 -2.223 1.00 0.00 WAT1 ATOM 5439 H1 TIP3 1311 -4.121 40.043 -2.376 1.00 0.00 WAT1 ATOM 5440 H2 TIP3 1311 -4.621 41.495 -2.154 1.00 0.00 WAT1 ATOM 5441 OH2 TIP3 1312 -12.602 44.340 -4.737 1.00 0.00 WAT1 ATOM 5442 H1 TIP3 1312 -11.803 44.031 -5.221 1.00 0.00 WAT1 ATOM 5443 H2 TIP3 1312 -12.525 43.922 -3.868 1.00 0.00 WAT1 ATOM 5444 OH2 TIP3 1313 -4.064 40.143 0.430 1.00 0.00 WAT1 ATOM 5445 H1 TIP3 1313 -3.265 40.675 0.256 1.00 0.00 WAT1 ATOM 5446 H2 TIP3 1313 -4.580 40.217 -0.389 1.00 0.00 WAT1 ATOM 5447 OH2 TIP3 1314 -14.495 45.980 -8.513 1.00 0.00 WAT1 ATOM 5448 H1 TIP3 1314 -14.258 46.204 -7.587 1.00 0.00 WAT1 ATOM 5449 H2 TIP3 1314 -14.068 46.664 -9.043 1.00 0.00 WAT1 ATOM 5450 OH2 TIP3 1315 -17.953 42.340 -7.063 1.00 0.00 WAT1 ATOM 5451 H1 TIP3 1315 -18.677 42.932 -7.333 1.00 0.00 WAT1 ATOM 5452 H2 TIP3 1315 -17.578 42.772 -6.280 1.00 0.00 WAT1 ATOM 5453 OH2 TIP3 1316 -12.039 43.171 -10.277 1.00 0.00 WAT1 ATOM 5454 H1 TIP3 1316 -12.013 42.642 -11.107 1.00 0.00 WAT1 ATOM 5455 H2 TIP3 1316 -11.480 43.934 -10.469 1.00 0.00 WAT1 ATOM 5456 OH2 TIP3 1317 -8.158 41.553 -11.372 1.00 0.00 WAT1 ATOM 5457 H1 TIP3 1317 -8.903 41.286 -10.794 1.00 0.00 WAT1 ATOM 5458 H2 TIP3 1317 -7.396 41.084 -11.004 1.00 0.00 WAT1 ATOM 5459 OH2 TIP3 1318 -10.248 39.899 -2.216 1.00 0.00 WAT1 ATOM 5460 H1 TIP3 1318 -10.575 39.358 -1.478 1.00 0.00 WAT1 ATOM 5461 H2 TIP3 1318 -9.300 40.067 -1.993 1.00 0.00 WAT1 ATOM 5462 OH2 TIP3 1319 -7.630 40.273 -1.520 1.00 0.00 WAT1 ATOM 5463 H1 TIP3 1319 -6.699 40.331 -1.820 1.00 0.00 WAT1 ATOM 5464 H2 TIP3 1319 -7.569 40.251 -0.556 1.00 0.00 WAT1 ATOM 5465 OH2 TIP3 1320 -13.499 45.072 2.284 1.00 0.00 WAT1 ATOM 5466 H1 TIP3 1320 -13.822 45.937 2.555 1.00 0.00 WAT1 ATOM 5467 H2 TIP3 1320 -14.285 44.489 2.354 1.00 0.00 WAT1 ATOM 5468 OH2 TIP3 1321 -16.044 36.711 7.340 1.00 0.00 WAT1 ATOM 5469 H1 TIP3 1321 -16.207 35.795 7.644 1.00 0.00 WAT1 ATOM 5470 H2 TIP3 1321 -15.130 36.899 7.629 1.00 0.00 WAT1 ATOM 5471 OH2 TIP3 1322 -11.278 40.989 2.890 1.00 0.00 WAT1 ATOM 5472 H1 TIP3 1322 -12.169 40.923 3.298 1.00 0.00 WAT1 ATOM 5473 H2 TIP3 1322 -11.181 41.940 2.686 1.00 0.00 WAT1 ATOM 5474 OH2 TIP3 1323 -9.380 40.385 0.945 1.00 0.00 WAT1 ATOM 5475 H1 TIP3 1323 -9.609 41.162 0.399 1.00 0.00 WAT1 ATOM 5476 H2 TIP3 1323 -9.977 40.455 1.719 1.00 0.00 WAT1 ATOM 5477 OH2 TIP3 1324 13.076 -24.484 12.717 1.00 0.00 WAT1 ATOM 5478 H1 TIP3 1324 12.682 -24.647 11.855 1.00 0.00 WAT1 ATOM 5479 H2 TIP3 1324 13.163 -25.382 13.113 1.00 0.00 WAT1 ATOM 5480 OH2 TIP3 1325 10.928 -20.401 12.951 1.00 0.00 WAT1 ATOM 5481 H1 TIP3 1325 11.482 -21.054 13.439 1.00 0.00 WAT1 ATOM 5482 H2 TIP3 1325 11.298 -20.413 12.036 1.00 0.00 WAT1 ATOM 5483 OH2 TIP3 1326 16.519 -22.561 15.356 1.00 0.00 WAT1 ATOM 5484 H1 TIP3 1326 16.525 -22.273 16.302 1.00 0.00 WAT1 ATOM 5485 H2 TIP3 1326 16.899 -23.466 15.382 1.00 0.00 WAT1 ATOM 5486 OH2 TIP3 1327 15.074 -22.096 13.128 1.00 0.00 WAT1 ATOM 5487 H1 TIP3 1327 14.855 -22.965 12.759 1.00 0.00 WAT1 ATOM 5488 H2 TIP3 1327 15.674 -22.299 13.885 1.00 0.00 WAT1 ATOM 5489 OH2 TIP3 1328 12.666 -20.433 10.839 1.00 0.00 WAT1 ATOM 5490 H1 TIP3 1328 12.932 -20.452 9.916 1.00 0.00 WAT1 ATOM 5491 H2 TIP3 1328 13.451 -20.081 11.309 1.00 0.00 WAT1 ATOM 5492 OH2 TIP3 1329 13.246 -27.020 13.706 1.00 0.00 WAT1 ATOM 5493 H1 TIP3 1329 12.856 -27.267 14.577 1.00 0.00 WAT1 ATOM 5494 H2 TIP3 1329 14.214 -27.134 13.841 1.00 0.00 WAT1 ATOM 5495 OH2 TIP3 1330 7.565 -21.061 16.880 1.00 0.00 WAT1 ATOM 5496 H1 TIP3 1330 7.430 -21.925 17.317 1.00 0.00 WAT1 ATOM 5497 H2 TIP3 1330 8.040 -21.282 16.055 1.00 0.00 WAT1 ATOM 5498 OH2 TIP3 1331 8.487 -15.188 11.975 1.00 0.00 WAT1 ATOM 5499 H1 TIP3 1331 9.432 -14.940 11.888 1.00 0.00 WAT1 ATOM 5500 H2 TIP3 1331 8.499 -16.170 11.978 1.00 0.00 WAT1 ATOM 5501 OH2 TIP3 1332 16.480 -19.722 14.956 1.00 0.00 WAT1 ATOM 5502 H1 TIP3 1332 16.987 -19.501 15.764 1.00 0.00 WAT1 ATOM 5503 H2 TIP3 1332 16.524 -20.695 14.909 1.00 0.00 WAT1 ATOM 5504 OH2 TIP3 1333 14.954 -28.287 17.058 1.00 0.00 WAT1 ATOM 5505 H1 TIP3 1333 15.009 -28.106 16.101 1.00 0.00 WAT1 ATOM 5506 H2 TIP3 1333 15.724 -27.818 17.429 1.00 0.00 WAT1 ATOM 5507 OH2 TIP3 1334 16.635 -25.537 22.910 1.00 0.00 WAT1 ATOM 5508 H1 TIP3 1334 17.468 -25.808 23.313 1.00 0.00 WAT1 ATOM 5509 H2 TIP3 1334 16.365 -26.315 22.371 1.00 0.00 WAT1 ATOM 5510 OH2 TIP3 1335 10.278 -25.975 16.517 1.00 0.00 WAT1 ATOM 5511 H1 TIP3 1335 10.940 -26.598 16.153 1.00 0.00 WAT1 ATOM 5512 H2 TIP3 1335 10.394 -25.157 15.983 1.00 0.00 WAT1 ATOM 5513 OH2 TIP3 1336 17.432 -25.136 15.614 1.00 0.00 WAT1 ATOM 5514 H1 TIP3 1336 18.154 -25.608 15.175 1.00 0.00 WAT1 ATOM 5515 H2 TIP3 1336 17.401 -25.529 16.508 1.00 0.00 WAT1 ATOM 5516 OH2 TIP3 1337 12.521 -22.234 14.167 1.00 0.00 WAT1 ATOM 5517 H1 TIP3 1337 12.593 -23.078 13.664 1.00 0.00 WAT1 ATOM 5518 H2 TIP3 1337 13.429 -21.877 14.150 1.00 0.00 WAT1 ATOM 5519 OH2 TIP3 1338 7.879 -25.972 17.835 1.00 0.00 WAT1 ATOM 5520 H1 TIP3 1338 8.243 -26.282 18.689 1.00 0.00 WAT1 ATOM 5521 H2 TIP3 1338 8.632 -26.067 17.208 1.00 0.00 WAT1 ATOM 5522 OH2 TIP3 1339 14.931 -17.490 15.137 1.00 0.00 WAT1 ATOM 5523 H1 TIP3 1339 15.544 -18.259 15.084 1.00 0.00 WAT1 ATOM 5524 H2 TIP3 1339 14.107 -17.816 14.727 1.00 0.00 WAT1 ATOM 5525 OH2 TIP3 1340 7.632 -15.722 14.660 1.00 0.00 WAT1 ATOM 5526 H1 TIP3 1340 7.594 -16.630 15.034 1.00 0.00 WAT1 ATOM 5527 H2 TIP3 1340 8.116 -15.830 13.819 1.00 0.00 WAT1 ATOM 5528 OH2 TIP3 1341 18.257 -27.970 15.543 1.00 0.00 WAT1 ATOM 5529 H1 TIP3 1341 18.988 -28.581 15.676 1.00 0.00 WAT1 ATOM 5530 H2 TIP3 1341 17.983 -27.719 16.448 1.00 0.00 WAT1 ATOM 5531 OH2 TIP3 1342 17.677 -19.052 17.342 1.00 0.00 WAT1 ATOM 5532 H1 TIP3 1342 17.317 -18.134 17.416 1.00 0.00 WAT1 ATOM 5533 H2 TIP3 1342 18.627 -18.940 17.449 1.00 0.00 WAT1 ATOM 5534 OH2 TIP3 1343 10.558 -23.431 15.611 1.00 0.00 WAT1 ATOM 5535 H1 TIP3 1343 11.336 -22.970 15.229 1.00 0.00 WAT1 ATOM 5536 H2 TIP3 1343 10.518 -23.109 16.537 1.00 0.00 WAT1 ATOM 5537 OH2 TIP3 1344 17.254 -26.844 17.882 1.00 0.00 WAT1 ATOM 5538 H1 TIP3 1344 16.611 -26.306 18.400 1.00 0.00 WAT1 ATOM 5539 H2 TIP3 1344 17.796 -27.301 18.572 1.00 0.00 WAT1 ATOM 5540 OH2 TIP3 1345 12.284 -27.879 16.093 1.00 0.00 WAT1 ATOM 5541 H1 TIP3 1345 13.016 -28.168 16.669 1.00 0.00 WAT1 ATOM 5542 H2 TIP3 1345 11.726 -28.687 15.988 1.00 0.00 WAT1 ATOM 5543 OH2 TIP3 1346 15.789 -27.162 14.623 1.00 0.00 WAT1 ATOM 5544 H1 TIP3 1346 16.612 -27.692 14.640 1.00 0.00 WAT1 ATOM 5545 H2 TIP3 1346 16.085 -26.263 14.863 1.00 0.00 WAT1 ATOM 5546 OH2 TIP3 1347 11.160 -25.172 18.996 1.00 0.00 WAT1 ATOM 5547 H1 TIP3 1347 10.982 -24.223 18.852 1.00 0.00 WAT1 ATOM 5548 H2 TIP3 1347 10.995 -25.580 18.122 1.00 0.00 WAT1 ATOM 5549 OH2 TIP3 1348 14.820 -29.396 19.586 1.00 0.00 WAT1 ATOM 5550 H1 TIP3 1348 14.769 -29.041 18.674 1.00 0.00 WAT1 ATOM 5551 H2 TIP3 1348 14.453 -30.281 19.515 1.00 0.00 WAT1 ATOM 5552 OH2 TIP3 1349 9.095 -26.481 20.239 1.00 0.00 WAT1 ATOM 5553 H1 TIP3 1349 8.728 -25.777 20.815 1.00 0.00 WAT1 ATOM 5554 H2 TIP3 1349 9.955 -26.114 19.930 1.00 0.00 WAT1 ATOM 5555 OH2 TIP3 1350 4.327 -13.981 11.581 1.00 0.00 WAT1 ATOM 5556 H1 TIP3 1350 3.558 -13.745 12.153 1.00 0.00 WAT1 ATOM 5557 H2 TIP3 1350 3.925 -14.276 10.755 1.00 0.00 WAT1 ATOM 5558 OH2 TIP3 1351 11.050 -28.552 12.936 1.00 0.00 WAT1 ATOM 5559 H1 TIP3 1351 11.849 -28.007 13.080 1.00 0.00 WAT1 ATOM 5560 H2 TIP3 1351 10.888 -28.490 11.991 1.00 0.00 WAT1 ATOM 5561 OH2 TIP3 1352 6.966 -28.129 20.730 1.00 0.00 WAT1 ATOM 5562 H1 TIP3 1352 7.809 -27.649 20.554 1.00 0.00 WAT1 ATOM 5563 H2 TIP3 1352 7.226 -29.055 20.770 1.00 0.00 WAT1 ATOM 5564 OH2 TIP3 1353 14.085 -15.740 18.831 1.00 0.00 WAT1 ATOM 5565 H1 TIP3 1353 13.806 -15.700 17.892 1.00 0.00 WAT1 ATOM 5566 H2 TIP3 1353 14.949 -15.287 18.839 1.00 0.00 WAT1 ATOM 5567 OH2 TIP3 1354 12.592 -18.325 13.740 1.00 0.00 WAT1 ATOM 5568 H1 TIP3 1354 13.312 -18.663 13.163 1.00 0.00 WAT1 ATOM 5569 H2 TIP3 1354 11.870 -18.973 13.620 1.00 0.00 WAT1 ATOM 5570 OH2 TIP3 1355 4.993 -15.255 13.993 1.00 0.00 WAT1 ATOM 5571 H1 TIP3 1355 5.957 -15.323 14.164 1.00 0.00 WAT1 ATOM 5572 H2 TIP3 1355 4.933 -14.997 13.054 1.00 0.00 WAT1 ATOM 5573 OH2 TIP3 1356 8.756 -17.823 12.709 1.00 0.00 WAT1 ATOM 5574 H1 TIP3 1356 8.061 -18.448 13.004 1.00 0.00 WAT1 ATOM 5575 H2 TIP3 1356 9.544 -18.375 12.621 1.00 0.00 WAT1 ATOM 5576 OH2 TIP3 1357 14.725 -19.500 12.432 1.00 0.00 WAT1 ATOM 5577 H1 TIP3 1357 15.516 -19.038 12.751 1.00 0.00 WAT1 ATOM 5578 H2 TIP3 1357 14.899 -20.448 12.653 1.00 0.00 WAT1 ATOM 5579 OH2 TIP3 1358 6.749 -20.867 19.882 1.00 0.00 WAT1 ATOM 5580 H1 TIP3 1358 7.153 -21.680 19.541 1.00 0.00 WAT1 ATOM 5581 H2 TIP3 1358 5.933 -21.167 20.304 1.00 0.00 WAT1 ATOM 5582 OH2 TIP3 1359 17.538 -21.516 20.615 1.00 0.00 WAT1 ATOM 5583 H1 TIP3 1359 18.413 -21.308 20.960 1.00 0.00 WAT1 ATOM 5584 H2 TIP3 1359 17.023 -20.679 20.744 1.00 0.00 WAT1 ATOM 5585 OH2 TIP3 1360 18.466 -28.262 19.862 1.00 0.00 WAT1 ATOM 5586 H1 TIP3 1360 17.706 -28.137 20.468 1.00 0.00 WAT1 ATOM 5587 H2 TIP3 1360 19.034 -28.887 20.320 1.00 0.00 WAT1 ATOM 5588 OH2 TIP3 1361 10.121 -22.685 18.261 1.00 0.00 WAT1 ATOM 5589 H1 TIP3 1361 9.182 -22.941 18.375 1.00 0.00 WAT1 ATOM 5590 H2 TIP3 1361 10.228 -21.907 18.849 1.00 0.00 WAT1 ATOM 5591 OH2 TIP3 1362 7.570 -13.711 27.052 1.00 0.00 WAT1 ATOM 5592 H1 TIP3 1362 8.498 -13.562 26.847 1.00 0.00 WAT1 ATOM 5593 H2 TIP3 1362 7.150 -13.851 26.179 1.00 0.00 WAT1 ATOM 5594 OH2 TIP3 1363 16.120 -27.560 21.117 1.00 0.00 WAT1 ATOM 5595 H1 TIP3 1363 15.615 -28.351 20.817 1.00 0.00 WAT1 ATOM 5596 H2 TIP3 1363 15.801 -26.843 20.529 1.00 0.00 WAT1 ATOM 5597 OH2 TIP3 1364 15.242 -25.657 19.333 1.00 0.00 WAT1 ATOM 5598 H1 TIP3 1364 14.308 -25.598 19.079 1.00 0.00 WAT1 ATOM 5599 H2 TIP3 1364 15.411 -24.814 19.822 1.00 0.00 WAT1 ATOM 5600 OH2 TIP3 1365 15.029 -23.818 24.395 1.00 0.00 WAT1 ATOM 5601 H1 TIP3 1365 14.922 -24.258 25.241 1.00 0.00 WAT1 ATOM 5602 H2 TIP3 1365 15.548 -24.452 23.859 1.00 0.00 WAT1 ATOM 5603 OH2 TIP3 1366 16.366 -19.101 20.947 1.00 0.00 WAT1 ATOM 5604 H1 TIP3 1366 16.827 -18.321 21.265 1.00 0.00 WAT1 ATOM 5605 H2 TIP3 1366 15.461 -18.776 20.743 1.00 0.00 WAT1 ATOM 5606 OH2 TIP3 1367 12.681 -18.991 23.653 1.00 0.00 WAT1 ATOM 5607 H1 TIP3 1367 12.493 -19.437 22.799 1.00 0.00 WAT1 ATOM 5608 H2 TIP3 1367 13.461 -19.449 23.989 1.00 0.00 WAT1 ATOM 5609 OH2 TIP3 1368 10.084 -20.705 20.235 1.00 0.00 WAT1 ATOM 5610 H1 TIP3 1368 11.009 -20.511 20.520 1.00 0.00 WAT1 ATOM 5611 H2 TIP3 1368 9.797 -21.433 20.839 1.00 0.00 WAT1 ATOM 5612 OH2 TIP3 1369 10.121 -18.860 24.577 1.00 0.00 WAT1 ATOM 5613 H1 TIP3 1369 10.077 -18.793 25.533 1.00 0.00 WAT1 ATOM 5614 H2 TIP3 1369 11.083 -18.886 24.379 1.00 0.00 WAT1 ATOM 5615 OH2 TIP3 1370 12.610 -20.246 21.194 1.00 0.00 WAT1 ATOM 5616 H1 TIP3 1370 13.247 -20.890 21.589 1.00 0.00 WAT1 ATOM 5617 H2 TIP3 1370 13.180 -19.545 20.812 1.00 0.00 WAT1 ATOM 5618 OH2 TIP3 1371 13.905 -17.898 20.500 1.00 0.00 WAT1 ATOM 5619 H1 TIP3 1371 13.370 -17.425 21.175 1.00 0.00 WAT1 ATOM 5620 H2 TIP3 1371 14.042 -17.224 19.797 1.00 0.00 WAT1 ATOM 5621 OH2 TIP3 1372 9.201 -18.542 22.044 1.00 0.00 WAT1 ATOM 5622 H1 TIP3 1372 9.383 -19.408 21.648 1.00 0.00 WAT1 ATOM 5623 H2 TIP3 1372 9.422 -18.663 22.997 1.00 0.00 WAT1 ATOM 5624 OH2 TIP3 1373 9.536 -22.787 21.880 1.00 0.00 WAT1 ATOM 5625 H1 TIP3 1373 10.148 -23.148 22.530 1.00 0.00 WAT1 ATOM 5626 H2 TIP3 1373 8.790 -23.424 21.872 1.00 0.00 WAT1 ATOM 5627 OH2 TIP3 1374 4.071 -14.437 26.326 1.00 0.00 WAT1 ATOM 5628 H1 TIP3 1374 4.554 -14.507 27.182 1.00 0.00 WAT1 ATOM 5629 H2 TIP3 1374 4.781 -14.395 25.658 1.00 0.00 WAT1 ATOM 5630 OH2 TIP3 1375 16.851 -16.459 17.142 1.00 0.00 WAT1 ATOM 5631 H1 TIP3 1375 16.318 -16.481 16.330 1.00 0.00 WAT1 ATOM 5632 H2 TIP3 1375 16.736 -15.549 17.481 1.00 0.00 WAT1 ATOM 5633 OH2 TIP3 1376 16.752 -21.593 17.878 1.00 0.00 WAT1 ATOM 5634 H1 TIP3 1376 17.006 -20.658 17.738 1.00 0.00 WAT1 ATOM 5635 H2 TIP3 1376 16.935 -21.750 18.820 1.00 0.00 WAT1 ATOM 5636 OH2 TIP3 1377 14.284 -21.953 22.499 1.00 0.00 WAT1 ATOM 5637 H1 TIP3 1377 14.703 -22.498 21.806 1.00 0.00 WAT1 ATOM 5638 H2 TIP3 1377 14.436 -22.463 23.323 1.00 0.00 WAT1 ATOM 5639 OH2 TIP3 1378 15.896 -23.642 20.996 1.00 0.00 WAT1 ATOM 5640 H1 TIP3 1378 16.274 -24.177 21.724 1.00 0.00 WAT1 ATOM 5641 H2 TIP3 1378 16.559 -22.929 20.851 1.00 0.00 WAT1 ATOM 5642 OH2 TIP3 1379 12.386 -16.510 22.383 1.00 0.00 WAT1 ATOM 5643 H1 TIP3 1379 13.017 -15.869 22.787 1.00 0.00 WAT1 ATOM 5644 H2 TIP3 1379 12.402 -17.275 22.992 1.00 0.00 WAT1 ATOM 5645 OH2 TIP3 1380 9.638 -15.863 21.469 1.00 0.00 WAT1 ATOM 5646 H1 TIP3 1380 10.583 -15.788 21.701 1.00 0.00 WAT1 ATOM 5647 H2 TIP3 1380 9.398 -16.770 21.755 1.00 0.00 WAT1 ATOM 5648 OH2 TIP3 1381 5.420 -14.095 28.659 1.00 0.00 WAT1 ATOM 5649 H1 TIP3 1381 5.700 -14.403 29.525 1.00 0.00 WAT1 ATOM 5650 H2 TIP3 1381 6.263 -13.865 28.200 1.00 0.00 WAT1 ATOM 5651 OH2 TIP3 1382 10.780 -6.840 12.121 1.00 0.00 WAT1 ATOM 5652 H1 TIP3 1382 11.441 -7.228 12.701 1.00 0.00 WAT1 ATOM 5653 H2 TIP3 1382 10.068 -7.514 12.082 1.00 0.00 WAT1 ATOM 5654 OH2 TIP3 1383 7.348 -3.597 11.941 1.00 0.00 WAT1 ATOM 5655 H1 TIP3 1383 8.324 -3.713 11.915 1.00 0.00 WAT1 ATOM 5656 H2 TIP3 1383 7.045 -3.925 11.065 1.00 0.00 WAT1 ATOM 5657 OH2 TIP3 1384 5.162 -8.838 11.309 1.00 0.00 WAT1 ATOM 5658 H1 TIP3 1384 5.906 -9.453 11.134 1.00 0.00 WAT1 ATOM 5659 H2 TIP3 1384 4.440 -9.164 10.724 1.00 0.00 WAT1 ATOM 5660 OH2 TIP3 1385 8.644 -12.199 13.928 1.00 0.00 WAT1 ATOM 5661 H1 TIP3 1385 9.217 -12.972 13.964 1.00 0.00 WAT1 ATOM 5662 H2 TIP3 1385 7.965 -12.435 13.262 1.00 0.00 WAT1 ATOM 5663 OH2 TIP3 1386 8.659 -8.575 12.257 1.00 0.00 WAT1 ATOM 5664 H1 TIP3 1386 8.129 -9.212 11.732 1.00 0.00 WAT1 ATOM 5665 H2 TIP3 1386 8.064 -7.809 12.379 1.00 0.00 WAT1 ATOM 5666 OH2 TIP3 1387 9.446 -4.101 14.436 1.00 0.00 WAT1 ATOM 5667 H1 TIP3 1387 9.630 -3.175 14.721 1.00 0.00 WAT1 ATOM 5668 H2 TIP3 1387 9.777 -4.132 13.518 1.00 0.00 WAT1 ATOM 5669 OH2 TIP3 1388 12.121 -4.627 18.382 1.00 0.00 WAT1 ATOM 5670 H1 TIP3 1388 12.092 -4.657 17.419 1.00 0.00 WAT1 ATOM 5671 H2 TIP3 1388 12.036 -5.571 18.655 1.00 0.00 WAT1 ATOM 5672 OH2 TIP3 1389 8.979 -5.909 16.470 1.00 0.00 WAT1 ATOM 5673 H1 TIP3 1389 8.986 -5.386 17.306 1.00 0.00 WAT1 ATOM 5674 H2 TIP3 1389 9.211 -5.254 15.779 1.00 0.00 WAT1 ATOM 5675 OH2 TIP3 1390 9.991 -1.431 14.872 1.00 0.00 WAT1 ATOM 5676 H1 TIP3 1390 9.535 -0.729 14.372 1.00 0.00 WAT1 ATOM 5677 H2 TIP3 1390 10.322 -0.982 15.659 1.00 0.00 WAT1 ATOM 5678 OH2 TIP3 1391 6.713 -0.912 11.610 1.00 0.00 WAT1 ATOM 5679 H1 TIP3 1391 7.144 -0.854 10.753 1.00 0.00 WAT1 ATOM 5680 H2 TIP3 1391 6.895 -1.825 11.908 1.00 0.00 WAT1 ATOM 5681 OH2 TIP3 1392 11.152 -14.569 11.975 1.00 0.00 WAT1 ATOM 5682 H1 TIP3 1392 11.588 -14.780 11.142 1.00 0.00 WAT1 ATOM 5683 H2 TIP3 1392 11.577 -13.724 12.262 1.00 0.00 WAT1 ATOM 5684 OH2 TIP3 1393 9.231 -9.660 14.769 1.00 0.00 WAT1 ATOM 5685 H1 TIP3 1393 9.026 -10.589 14.526 1.00 0.00 WAT1 ATOM 5686 H2 TIP3 1393 9.059 -9.159 13.948 1.00 0.00 WAT1 ATOM 5687 OH2 TIP3 1394 7.269 -10.557 10.823 1.00 0.00 WAT1 ATOM 5688 H1 TIP3 1394 7.096 -11.415 11.275 1.00 0.00 WAT1 ATOM 5689 H2 TIP3 1394 7.742 -10.805 10.020 1.00 0.00 WAT1 ATOM 5690 OH2 TIP3 1395 11.574 -7.284 18.840 1.00 0.00 WAT1 ATOM 5691 H1 TIP3 1395 11.252 -7.663 19.664 1.00 0.00 WAT1 ATOM 5692 H2 TIP3 1395 10.997 -7.674 18.157 1.00 0.00 WAT1 ATOM 5693 OH2 TIP3 1396 10.019 -4.273 11.729 1.00 0.00 WAT1 ATOM 5694 H1 TIP3 1396 10.766 -3.854 11.287 1.00 0.00 WAT1 ATOM 5695 H2 TIP3 1396 10.275 -5.228 11.782 1.00 0.00 WAT1 ATOM 5696 OH2 TIP3 1397 6.627 -1.054 14.969 1.00 0.00 WAT1 ATOM 5697 H1 TIP3 1397 7.319 -0.502 14.547 1.00 0.00 WAT1 ATOM 5698 H2 TIP3 1397 5.863 -0.446 15.061 1.00 0.00 WAT1 ATOM 5699 OH2 TIP3 1398 11.467 -15.881 14.409 1.00 0.00 WAT1 ATOM 5700 H1 TIP3 1398 11.300 -15.485 13.528 1.00 0.00 WAT1 ATOM 5701 H2 TIP3 1398 11.759 -16.799 14.206 1.00 0.00 WAT1 ATOM 5702 OH2 TIP3 1399 9.155 1.159 16.764 1.00 0.00 WAT1 ATOM 5703 H1 TIP3 1399 9.888 1.380 17.381 1.00 0.00 WAT1 ATOM 5704 H2 TIP3 1399 8.502 1.887 16.895 1.00 0.00 WAT1 ATOM 5705 OH2 TIP3 1400 9.579 -8.479 17.207 1.00 0.00 WAT1 ATOM 5706 H1 TIP3 1400 9.285 -7.558 17.008 1.00 0.00 WAT1 ATOM 5707 H2 TIP3 1400 9.503 -8.942 16.339 1.00 0.00 WAT1 ATOM 5708 OH2 TIP3 1401 9.691 -9.888 19.571 1.00 0.00 WAT1 ATOM 5709 H1 TIP3 1401 10.269 -10.586 19.212 1.00 0.00 WAT1 ATOM 5710 H2 TIP3 1401 9.508 -9.311 18.799 1.00 0.00 WAT1 ATOM 5711 OH2 TIP3 1402 11.299 -11.559 17.834 1.00 0.00 WAT1 ATOM 5712 H1 TIP3 1402 11.095 -12.386 17.349 1.00 0.00 WAT1 ATOM 5713 H2 TIP3 1402 11.091 -10.856 17.202 1.00 0.00 WAT1 ATOM 5714 OH2 TIP3 1403 9.001 -10.151 22.199 1.00 0.00 WAT1 ATOM 5715 H1 TIP3 1403 9.881 -10.382 22.519 1.00 0.00 WAT1 ATOM 5716 H2 TIP3 1403 9.137 -9.962 21.239 1.00 0.00 WAT1 ATOM 5717 OH2 TIP3 1404 13.459 -15.492 16.213 1.00 0.00 WAT1 ATOM 5718 H1 TIP3 1404 12.747 -15.581 15.545 1.00 0.00 WAT1 ATOM 5719 H2 TIP3 1404 14.160 -16.102 15.892 1.00 0.00 WAT1 ATOM 5720 OH2 TIP3 1405 11.041 -14.003 16.452 1.00 0.00 WAT1 ATOM 5721 H1 TIP3 1405 10.906 -14.600 15.687 1.00 0.00 WAT1 ATOM 5722 H2 TIP3 1405 11.946 -14.209 16.750 1.00 0.00 WAT1 ATOM 5723 OH2 TIP3 1406 16.158 -13.957 18.352 1.00 0.00 WAT1 ATOM 5724 H1 TIP3 1406 15.426 -13.339 18.180 1.00 0.00 WAT1 ATOM 5725 H2 TIP3 1406 16.686 -13.512 19.032 1.00 0.00 WAT1 ATOM 5726 OH2 TIP3 1407 7.597 -6.095 13.178 1.00 0.00 WAT1 ATOM 5727 H1 TIP3 1407 8.293 -5.837 13.808 1.00 0.00 WAT1 ATOM 5728 H2 TIP3 1407 7.335 -5.251 12.759 1.00 0.00 WAT1 ATOM 5729 OH2 TIP3 1408 12.331 -12.261 12.761 1.00 0.00 WAT1 ATOM 5730 H1 TIP3 1408 13.179 -12.132 13.202 1.00 0.00 WAT1 ATOM 5731 H2 TIP3 1408 11.955 -11.374 12.701 1.00 0.00 WAT1 ATOM 5732 OH2 TIP3 1409 6.544 -4.609 9.552 1.00 0.00 WAT1 ATOM 5733 H1 TIP3 1409 5.922 -5.372 9.520 1.00 0.00 WAT1 ATOM 5734 H2 TIP3 1409 7.121 -4.743 8.792 1.00 0.00 WAT1 ATOM 5735 OH2 TIP3 1410 7.170 -0.502 17.682 1.00 0.00 WAT1 ATOM 5736 H1 TIP3 1410 7.908 0.059 17.356 1.00 0.00 WAT1 ATOM 5737 H2 TIP3 1410 6.834 -0.939 16.876 1.00 0.00 WAT1 ATOM 5738 OH2 TIP3 1411 8.454 0.870 14.170 1.00 0.00 WAT1 ATOM 5739 H1 TIP3 1411 8.768 1.086 15.076 1.00 0.00 WAT1 ATOM 5740 H2 TIP3 1411 8.096 1.717 13.832 1.00 0.00 WAT1 ATOM 5741 OH2 TIP3 1412 7.193 3.229 13.315 1.00 0.00 WAT1 ATOM 5742 H1 TIP3 1412 6.589 3.682 13.945 1.00 0.00 WAT1 ATOM 5743 H2 TIP3 1412 7.613 3.949 12.832 1.00 0.00 WAT1 ATOM 5744 OH2 TIP3 1413 5.432 1.302 12.435 1.00 0.00 WAT1 ATOM 5745 H1 TIP3 1413 6.138 1.971 12.552 1.00 0.00 WAT1 ATOM 5746 H2 TIP3 1413 5.914 0.495 12.128 1.00 0.00 WAT1 ATOM 5747 OH2 TIP3 1414 7.846 -6.253 25.958 1.00 0.00 WAT1 ATOM 5748 H1 TIP3 1414 8.202 -6.780 25.206 1.00 0.00 WAT1 ATOM 5749 H2 TIP3 1414 8.315 -5.390 25.889 1.00 0.00 WAT1 ATOM 5750 OH2 TIP3 1415 7.048 -3.083 21.818 1.00 0.00 WAT1 ATOM 5751 H1 TIP3 1415 7.740 -3.687 22.120 1.00 0.00 WAT1 ATOM 5752 H2 TIP3 1415 7.464 -2.603 21.058 1.00 0.00 WAT1 ATOM 5753 OH2 TIP3 1416 8.330 -1.965 19.702 1.00 0.00 WAT1 ATOM 5754 H1 TIP3 1416 7.899 -1.487 18.961 1.00 0.00 WAT1 ATOM 5755 H2 TIP3 1416 9.231 -1.556 19.759 1.00 0.00 WAT1 ATOM 5756 OH2 TIP3 1417 9.203 -3.857 25.672 1.00 0.00 WAT1 ATOM 5757 H1 TIP3 1417 9.247 -3.163 24.982 1.00 0.00 WAT1 ATOM 5758 H2 TIP3 1417 9.788 -3.537 26.366 1.00 0.00 WAT1 ATOM 5759 OH2 TIP3 1418 15.993 -11.759 20.347 1.00 0.00 WAT1 ATOM 5760 H1 TIP3 1418 15.138 -11.916 19.886 1.00 0.00 WAT1 ATOM 5761 H2 TIP3 1418 16.104 -10.803 20.321 1.00 0.00 WAT1 ATOM 5762 OH2 TIP3 1419 5.116 -6.410 25.461 1.00 0.00 WAT1 ATOM 5763 H1 TIP3 1419 6.073 -6.195 25.514 1.00 0.00 WAT1 ATOM 5764 H2 TIP3 1419 4.806 -6.328 26.371 1.00 0.00 WAT1 ATOM 5765 OH2 TIP3 1420 7.020 -11.730 23.279 1.00 0.00 WAT1 ATOM 5766 H1 TIP3 1420 7.781 -11.145 23.077 1.00 0.00 WAT1 ATOM 5767 H2 TIP3 1420 6.777 -12.114 22.409 1.00 0.00 WAT1 ATOM 5768 OH2 TIP3 1421 16.268 -13.481 22.485 1.00 0.00 WAT1 ATOM 5769 H1 TIP3 1421 16.109 -12.891 21.718 1.00 0.00 WAT1 ATOM 5770 H2 TIP3 1421 17.144 -13.237 22.792 1.00 0.00 WAT1 ATOM 5771 OH2 TIP3 1422 13.725 -12.467 18.993 1.00 0.00 WAT1 ATOM 5772 H1 TIP3 1422 12.935 -11.989 18.667 1.00 0.00 WAT1 ATOM 5773 H2 TIP3 1422 13.380 -13.324 19.287 1.00 0.00 WAT1 ATOM 5774 OH2 TIP3 1423 8.314 -8.016 23.913 1.00 0.00 WAT1 ATOM 5775 H1 TIP3 1423 7.500 -8.445 24.240 1.00 0.00 WAT1 ATOM 5776 H2 TIP3 1423 8.630 -8.612 23.213 1.00 0.00 WAT1 ATOM 5777 OH2 TIP3 1424 9.467 -1.678 23.934 1.00 0.00 WAT1 ATOM 5778 H1 TIP3 1424 8.978 -1.041 23.372 1.00 0.00 WAT1 ATOM 5779 H2 TIP3 1424 10.386 -1.572 23.664 1.00 0.00 WAT1 ATOM 5780 OH2 TIP3 1425 7.280 -8.570 27.359 1.00 0.00 WAT1 ATOM 5781 H1 TIP3 1425 7.779 -8.704 28.169 1.00 0.00 WAT1 ATOM 5782 H2 TIP3 1425 7.582 -7.697 27.029 1.00 0.00 WAT1 ATOM 5783 OH2 TIP3 1426 10.781 -0.882 19.536 1.00 0.00 WAT1 ATOM 5784 H1 TIP3 1426 10.993 -0.016 19.141 1.00 0.00 WAT1 ATOM 5785 H2 TIP3 1426 11.649 -1.340 19.594 1.00 0.00 WAT1 ATOM 5786 OH2 TIP3 1427 7.921 0.082 22.342 1.00 0.00 WAT1 ATOM 5787 H1 TIP3 1427 7.467 0.270 21.494 1.00 0.00 WAT1 ATOM 5788 H2 TIP3 1427 7.215 -0.264 22.917 1.00 0.00 WAT1 ATOM 5789 OH2 TIP3 1428 13.086 -2.350 19.570 1.00 0.00 WAT1 ATOM 5790 H1 TIP3 1428 12.731 -3.174 19.169 1.00 0.00 WAT1 ATOM 5791 H2 TIP3 1428 13.995 -2.568 19.789 1.00 0.00 WAT1 ATOM 5792 OH2 TIP3 1429 9.228 -4.377 18.707 1.00 0.00 WAT1 ATOM 5793 H1 TIP3 1429 8.884 -3.549 19.098 1.00 0.00 WAT1 ATOM 5794 H2 TIP3 1429 10.191 -4.312 18.820 1.00 0.00 WAT1 ATOM 5795 OH2 TIP3 1430 3.247 5.990 25.293 1.00 0.00 WAT1 ATOM 5796 H1 TIP3 1430 2.759 5.158 25.113 1.00 0.00 WAT1 ATOM 5797 H2 TIP3 1430 4.103 5.686 25.676 1.00 0.00 WAT1 ATOM 5798 OH2 TIP3 1431 5.463 4.980 26.527 1.00 0.00 WAT1 ATOM 5799 H1 TIP3 1431 6.148 4.379 26.214 1.00 0.00 WAT1 ATOM 5800 H2 TIP3 1431 5.705 5.161 27.442 1.00 0.00 WAT1 ATOM 5801 OH2 TIP3 1432 6.016 -9.016 25.005 1.00 0.00 WAT1 ATOM 5802 H1 TIP3 1432 5.520 -8.174 25.072 1.00 0.00 WAT1 ATOM 5803 H2 TIP3 1432 6.437 -9.114 25.893 1.00 0.00 WAT1 ATOM 5804 OH2 TIP3 1433 9.231 1.983 20.720 1.00 0.00 WAT1 ATOM 5805 H1 TIP3 1433 9.252 1.395 21.493 1.00 0.00 WAT1 ATOM 5806 H2 TIP3 1433 8.331 1.881 20.373 1.00 0.00 WAT1 ATOM 5807 OH2 TIP3 1434 14.352 -15.071 23.619 1.00 0.00 WAT1 ATOM 5808 H1 TIP3 1434 14.977 -14.517 23.098 1.00 0.00 WAT1 ATOM 5809 H2 TIP3 1434 14.716 -15.063 24.507 1.00 0.00 WAT1 ATOM 5810 OH2 TIP3 1435 10.988 1.778 18.681 1.00 0.00 WAT1 ATOM 5811 H1 TIP3 1435 10.411 1.965 19.462 1.00 0.00 WAT1 ATOM 5812 H2 TIP3 1435 11.774 2.312 18.835 1.00 0.00 WAT1 ATOM 5813 OH2 TIP3 1436 6.189 5.949 18.624 1.00 0.00 WAT1 ATOM 5814 H1 TIP3 1436 5.971 6.328 17.741 1.00 0.00 WAT1 ATOM 5815 H2 TIP3 1436 7.125 6.154 18.742 1.00 0.00 WAT1 ATOM 5816 OH2 TIP3 1437 5.556 4.460 15.145 1.00 0.00 WAT1 ATOM 5817 H1 TIP3 1437 4.589 4.529 14.973 1.00 0.00 WAT1 ATOM 5818 H2 TIP3 1437 5.802 5.359 15.448 1.00 0.00 WAT1 ATOM 5819 OH2 TIP3 1438 3.813 29.667 -0.869 1.00 0.00 WAT1 ATOM 5820 H1 TIP3 1438 4.501 29.085 -1.257 1.00 0.00 WAT1 ATOM 5821 H2 TIP3 1438 3.203 29.846 -1.617 1.00 0.00 WAT1 ATOM 5822 OH2 TIP3 1439 7.135 26.683 -0.227 1.00 0.00 WAT1 ATOM 5823 H1 TIP3 1439 6.964 26.883 0.723 1.00 0.00 WAT1 ATOM 5824 H2 TIP3 1439 8.089 26.783 -0.320 1.00 0.00 WAT1 ATOM 5825 OH2 TIP3 1440 6.871 27.148 2.457 1.00 0.00 WAT1 ATOM 5826 H1 TIP3 1440 6.920 28.133 2.563 1.00 0.00 WAT1 ATOM 5827 H2 TIP3 1440 7.434 26.807 3.163 1.00 0.00 WAT1 END