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: -1653.16, 79.1867, 94.3571, 45.3112, 424.085, -284.405, -2012.85, 1.13842, 9.469675E-03 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,noe,cdih REMARK rms-dev.: 7.213048E-03,0.474289,1.26474,42.5628,3.335088E-03,4.464038E-02 REMARK =============================================================== REMARK noe, cdih REMARK >0.0, >0.0001 REMARK violations.: 19, 4 REMARK =============================================================== REMARK DATE:10-Jun-2010 13:38:29 created by user: gliu REMARK VERSION:1.2 ATOM 1 HA MET 1 11.493 -2.116 5.176 1.00 23.22 ATOM 2 CB MET 1 12.101 -4.122 5.655 1.00 62.24 ATOM 3 HB1 MET 1 11.097 -4.512 5.572 1.00 38.60 ATOM 4 HB2 MET 1 12.604 -4.623 6.470 1.00 44.25 ATOM 5 CG MET 1 12.845 -4.451 4.370 1.00 14.50 ATOM 6 HG1 MET 1 12.342 -3.970 3.542 1.00 38.60 ATOM 7 HG2 MET 1 12.830 -5.522 4.223 1.00 54.13 ATOM 8 SD MET 1 14.560 -3.897 4.411 1.00 5.40 ATOM 9 CE MET 1 15.154 -4.521 2.840 1.00 51.35 ATOM 10 HE1 MET 1 15.085 -5.601 2.829 1.00 4.15 ATOM 11 HE2 MET 1 16.182 -4.226 2.704 1.00 34.04 ATOM 12 HE3 MET 1 14.555 -4.114 2.038 1.00 61.12 ATOM 13 C MET 1 11.262 -2.416 7.288 1.00 43.32 ATOM 14 O MET 1 11.846 -2.507 8.371 1.00 31.51 ATOM 15 N MET 1 13.395 -2.037 6.048 1.00 62.41 ATOM 16 HT1 MET 1 13.934 -2.482 6.820 1.00 38.60 ATOM 17 HT2 MET 1 13.344 -1.013 6.228 1.00 38.60 ATOM 18 HT3 MET 1 13.902 -2.191 5.153 1.00 38.60 ATOM 19 CA MET 1 12.026 -2.619 5.971 1.00 71.53 ATOM 20 N GLY 2 9.962 -2.137 7.197 1.00 22.51 ATOM 21 HN GLY 2 9.556 -2.020 6.313 1.00 38.60 ATOM 22 CA GLY 2 9.141 -2.005 8.399 1.00 73.11 ATOM 23 HA1 GLY 2 9.772 -1.693 9.221 1.00 38.60 ATOM 24 HA2 GLY 2 8.721 -2.971 8.636 1.00 52.30 ATOM 25 C GLY 2 8.000 -1.002 8.255 1.00 60.43 ATOM 26 O GLY 2 6.826 -1.380 8.222 1.00 72.43 ATOM 27 N HIS 3 8.340 0.282 8.158 1.00 24.04 ATOM 28 HN HIS 3 9.290 0.518 8.074 1.00 38.60 ATOM 29 CA HIS 3 7.328 1.350 8.161 1.00 73.04 ATOM 30 HA HIS 3 6.358 0.873 8.223 1.00 41.02 ATOM 31 CB HIS 3 7.499 2.238 9.406 1.00 14.41 ATOM 32 HB1 HIS 3 7.153 1.695 10.275 1.00 38.60 ATOM 33 HB2 HIS 3 6.898 3.130 9.289 1.00 74.41 ATOM 34 CG HIS 3 8.914 2.671 9.663 1.00 63.24 ATOM 35 ND1 HIS 3 9.453 3.825 9.145 1.00 54.31 ATOM 36 HD1 HIS 3 8.986 4.465 8.567 1.00 5.43 ATOM 37 CD2 HIS 3 9.906 2.095 10.388 1.00 52.14 ATOM 38 HD2 HIS 3 9.839 1.171 10.947 1.00 62.51 ATOM 39 CE1 HIS 3 10.706 3.941 9.531 1.00 52.11 ATOM 40 HE1 HIS 3 11.370 4.752 9.277 1.00 41.24 ATOM 41 NE2 HIS 3 11.010 2.906 10.287 1.00 44.33 ATOM 42 HE2 HIS 3 11.929 2.625 10.488 1.00 38.60 ATOM 43 C HIS 3 7.350 2.206 6.878 1.00 64.53 ATOM 44 O HIS 3 8.192 3.088 6.712 1.00 60.23 ATOM 45 N HIS 4 6.406 1.933 5.977 1.00 62.20 ATOM 46 HN HIS 4 5.837 1.146 6.116 1.00 38.60 ATOM 47 CA HIS 4 6.180 2.773 4.791 1.00 33.24 ATOM 48 HA HIS 4 6.966 3.517 4.759 1.00 23.42 ATOM 49 CB HIS 4 6.238 1.934 3.503 1.00 41.04 ATOM 50 HB1 HIS 4 7.255 1.600 3.349 1.00 38.60 ATOM 51 HB2 HIS 4 5.943 2.551 2.667 1.00 64.23 ATOM 52 CG HIS 4 5.353 0.722 3.508 1.00 61.14 ATOM 53 ND1 HIS 4 4.018 0.756 3.162 1.00 31.41 ATOM 54 HD1 HIS 4 3.512 1.556 2.895 1.00 61.31 ATOM 55 CD2 HIS 4 5.624 -0.571 3.806 1.00 61.03 ATOM 56 HD2 HIS 4 6.580 -0.971 4.118 1.00 1.02 ATOM 57 CE1 HIS 4 3.511 -0.457 3.246 1.00 11.23 ATOM 58 HE1 HIS 4 2.489 -0.733 3.032 1.00 64.20 ATOM 59 NE2 HIS 4 4.463 -1.278 3.634 1.00 22.23 ATOM 60 HE2 HIS 4 4.325 -2.218 3.888 1.00 38.60 ATOM 61 C HIS 4 4.828 3.496 4.917 1.00 11.55 ATOM 62 O HIS 4 3.821 2.880 5.264 1.00 33.21 ATOM 63 N HIS 5 4.805 4.796 4.632 1.00 23.45 ATOM 64 HN HIS 5 5.581 5.203 4.189 1.00 38.60 ATOM 65 CA HIS 5 3.633 5.628 4.940 1.00 44.42 ATOM 66 HA HIS 5 2.899 5.001 5.424 1.00 25.30 ATOM 67 CB HIS 5 4.040 6.743 5.913 1.00 43.14 ATOM 68 HB1 HIS 5 4.404 6.292 6.825 1.00 38.60 ATOM 69 HB2 HIS 5 3.175 7.348 6.141 1.00 41.33 ATOM 70 CG HIS 5 5.114 7.656 5.387 1.00 52.43 ATOM 71 ND1 HIS 5 4.944 8.486 4.294 1.00 3.02 ATOM 72 HD1 HIS 5 4.139 8.547 3.735 1.00 3.11 ATOM 73 CD2 HIS 5 6.380 7.879 5.821 1.00 31.54 ATOM 74 HD2 HIS 5 6.861 7.403 6.664 1.00 51.33 ATOM 75 CE1 HIS 5 6.047 9.172 4.086 1.00 14.00 ATOM 76 HE1 HIS 5 6.201 9.897 3.301 1.00 32.10 ATOM 77 NE2 HIS 5 6.930 8.824 4.994 1.00 74.22 ATOM 78 HE2 HIS 5 7.854 9.152 5.036 1.00 38.60 ATOM 79 C HIS 5 2.989 6.255 3.696 1.00 11.31 ATOM 80 O HIS 5 3.605 6.357 2.638 1.00 55.32 ATOM 81 N HIS 6 1.736 6.684 3.852 1.00 34.11 ATOM 82 HN HIS 6 1.258 6.452 4.679 1.00 38.60 ATOM 83 CA HIS 6 1.049 7.495 2.841 1.00 34.40 ATOM 84 HA HIS 6 1.662 7.511 1.949 1.00 54.23 ATOM 85 CB HIS 6 -0.325 6.901 2.495 1.00 2.14 ATOM 86 HB1 HIS 6 -0.855 7.591 1.853 1.00 38.60 ATOM 87 HB2 HIS 6 -0.889 6.766 3.407 1.00 60.11 ATOM 88 CG HIS 6 -0.261 5.577 1.795 1.00 35.45 ATOM 89 ND1 HIS 6 -0.591 5.409 0.466 1.00 62.01 ATOM 90 HD1 HIS 6 -0.877 6.121 -0.150 1.00 52.43 ATOM 91 CD2 HIS 6 0.077 4.345 2.248 1.00 74.52 ATOM 92 HD2 HIS 6 0.390 4.095 3.251 1.00 32.50 ATOM 93 CE1 HIS 6 -0.463 4.141 0.136 1.00 12.45 ATOM 94 HE1 HIS 6 -0.664 3.717 -0.837 1.00 14.14 ATOM 95 NE2 HIS 6 -0.058 3.474 1.196 1.00 2.03 ATOM 96 HE2 HIS 6 0.298 2.561 1.174 1.00 38.60 ATOM 97 C HIS 6 0.891 8.933 3.353 1.00 33.31 ATOM 98 O HIS 6 1.683 9.809 3.017 1.00 50.00 ATOM 99 N HIS 7 -0.117 9.154 4.200 1.00 62.24 ATOM 100 HN HIS 7 -0.720 8.412 4.425 1.00 38.60 ATOM 101 CA HIS 7 -0.347 10.462 4.825 1.00 34.21 ATOM 102 HA HIS 7 0.395 11.150 4.442 1.00 4.10 ATOM 103 CB HIS 7 -1.745 10.989 4.469 1.00 45.43 ATOM 104 HB1 HIS 7 -1.913 11.924 4.986 1.00 38.60 ATOM 105 HB2 HIS 7 -2.486 10.271 4.789 1.00 32.21 ATOM 106 CG HIS 7 -1.945 11.231 3.002 1.00 31.11 ATOM 107 ND1 HIS 7 -1.758 12.461 2.409 1.00 72.23 ATOM 108 HD1 HIS 7 -1.474 13.281 2.865 1.00 5.05 ATOM 109 CD2 HIS 7 -2.321 10.393 2.004 1.00 3.31 ATOM 110 HD2 HIS 7 -2.554 9.342 2.102 1.00 72.23 ATOM 111 CE1 HIS 7 -2.010 12.372 1.119 1.00 72.22 ATOM 112 HE1 HIS 7 -1.943 13.179 0.406 1.00 63.10 ATOM 113 NE2 HIS 7 -2.353 11.130 0.848 1.00 11.22 ATOM 114 HE2 HIS 7 -2.463 10.765 -0.056 1.00 38.60 ATOM 115 C HIS 7 -0.187 10.368 6.349 1.00 51.54 ATOM 116 O HIS 7 -1.065 9.863 7.048 1.00 21.21 ATOM 117 N HIS 8 0.946 10.844 6.855 1.00 73.11 ATOM 118 HN HIS 8 1.588 11.272 6.254 1.00 38.60 ATOM 119 CA HIS 8 1.260 10.753 8.284 1.00 32.34 ATOM 120 HA HIS 8 0.655 9.962 8.706 1.00 71.01 ATOM 121 CB HIS 8 2.742 10.384 8.463 1.00 40.55 ATOM 122 HB1 HIS 8 3.348 11.074 7.894 1.00 38.60 ATOM 123 HB2 HIS 8 2.903 9.383 8.088 1.00 32.41 ATOM 124 CG HIS 8 3.215 10.418 9.885 1.00 25.23 ATOM 125 ND1 HIS 8 3.855 11.505 10.439 1.00 23.31 ATOM 126 HD1 HIS 8 4.065 12.347 9.978 1.00 11.42 ATOM 127 CD2 HIS 8 3.145 9.490 10.868 1.00 24.14 ATOM 128 HD2 HIS 8 2.705 8.505 10.791 1.00 14.44 ATOM 129 CE1 HIS 8 4.156 11.247 11.692 1.00 41.13 ATOM 130 HE1 HIS 8 4.656 11.921 12.373 1.00 31.23 ATOM 131 NE2 HIS 8 3.737 10.033 11.981 1.00 41.13 ATOM 132 HE2 HIS 8 3.675 9.668 12.888 1.00 38.60 ATOM 133 C HIS 8 0.938 12.064 9.022 1.00 13.31 ATOM 134 O HIS 8 1.752 12.987 9.050 1.00 42.44 ATOM 135 N SER 9 -0.254 12.139 9.614 1.00 33.22 ATOM 136 HN SER 9 -0.877 11.382 9.531 1.00 38.60 ATOM 137 CA SER 9 -0.669 13.323 10.383 1.00 3.04 ATOM 138 HA SER 9 0.109 13.532 11.103 1.00 63.15 ATOM 139 CB SER 9 -0.831 14.547 9.467 1.00 71.24 ATOM 140 HB1 SER 9 -1.563 14.329 8.701 1.00 38.60 ATOM 141 HB2 SER 9 0.117 14.775 9.001 1.00 42.03 ATOM 142 OG SER 9 -1.265 15.689 10.197 1.00 23.41 ATOM 143 HG SER 9 -1.417 16.421 9.582 1.00 24.54 ATOM 144 C SER 9 -1.983 13.089 11.137 1.00 21.34 ATOM 145 O SER 9 -2.758 12.187 10.812 1.00 71.02 ATOM 146 N HIS 10 -2.217 13.910 12.158 1.00 54.43 ATOM 147 HN HIS 10 -1.510 14.534 12.427 1.00 38.60 ATOM 148 CA HIS 10 -3.492 13.918 12.887 1.00 51.34 ATOM 149 HA HIS 10 -4.280 13.740 12.166 1.00 3.23 ATOM 150 CB HIS 10 -3.531 12.798 13.941 1.00 20.10 ATOM 151 HB1 HIS 10 -3.465 11.842 13.440 1.00 38.60 ATOM 152 HB2 HIS 10 -4.470 12.848 14.471 1.00 35.42 ATOM 153 CG HIS 10 -2.434 12.860 14.958 1.00 44.12 ATOM 154 ND1 HIS 10 -1.236 12.196 14.817 1.00 32.50 ATOM 155 HD1 HIS 10 -0.978 11.633 14.056 1.00 42.44 ATOM 156 CD2 HIS 10 -2.364 13.503 16.146 1.00 73.21 ATOM 157 HD2 HIS 10 -3.131 14.128 16.582 1.00 43.14 ATOM 158 CE1 HIS 10 -0.480 12.425 15.870 1.00 24.24 ATOM 159 HE1 HIS 10 0.511 12.030 16.033 1.00 24.04 ATOM 160 NE2 HIS 10 -1.137 13.216 16.693 1.00 74.42 ATOM 161 HE2 HIS 10 -0.719 13.724 17.421 1.00 38.60 ATOM 162 C HIS 10 -3.743 15.291 13.536 1.00 73.41 ATOM 163 O HIS 10 -4.532 15.417 14.474 1.00 21.23 ATOM 164 N MET 11 -3.073 16.318 13.011 1.00 72.12 ATOM 165 HN MET 11 -2.461 16.152 12.264 1.00 38.60 ATOM 166 CA MET 11 -3.239 17.693 13.500 1.00 72.51 ATOM 167 HA MET 11 -3.410 17.650 14.568 1.00 44.44 ATOM 168 CB MET 11 -1.964 18.510 13.232 1.00 51.53 ATOM 169 HB1 MET 11 -1.765 18.504 12.169 1.00 38.60 ATOM 170 HB2 MET 11 -1.135 18.041 13.744 1.00 13.12 ATOM 171 CG MET 11 -2.047 19.962 13.694 1.00 74.11 ATOM 172 HG1 MET 11 -2.930 20.413 13.261 1.00 38.60 ATOM 173 HG2 MET 11 -1.171 20.489 13.346 1.00 3.41 ATOM 174 SD MET 11 -2.139 20.123 15.488 1.00 61.15 ATOM 175 CE MET 11 -0.521 19.514 15.967 1.00 41.43 ATOM 176 HE1 MET 11 0.243 20.118 15.500 1.00 50.34 ATOM 177 HE2 MET 11 -0.415 18.488 15.650 1.00 22.04 ATOM 178 HE3 MET 11 -0.417 19.569 17.041 1.00 62.22 ATOM 179 C MET 11 -4.445 18.370 12.826 1.00 11.13 ATOM 180 O MET 11 -4.336 18.884 11.713 1.00 32.13 ATOM 181 N ALA 12 -5.593 18.353 13.494 1.00 53.41 ATOM 182 HN ALA 12 -5.625 17.931 14.378 1.00 38.60 ATOM 183 CA ALA 12 -6.816 18.941 12.937 1.00 40.10 ATOM 184 HA ALA 12 -6.526 19.691 12.211 1.00 30.22 ATOM 185 CB ALA 12 -7.623 17.869 12.211 1.00 55.40 ATOM 186 HB1 ALA 12 -8.485 18.320 11.741 1.00 24.25 ATOM 187 HB2 ALA 12 -7.948 17.120 12.918 1.00 12.15 ATOM 188 HB3 ALA 12 -7.005 17.404 11.455 1.00 43.24 ATOM 189 C ALA 12 -7.672 19.610 14.023 1.00 22.12 ATOM 190 O ALA 12 -7.936 19.022 15.072 1.00 70.42 ATOM 191 N LYS 13 -8.097 20.845 13.766 1.00 31.30 ATOM 192 HN LYS 13 -7.810 21.281 12.937 1.00 38.60 ATOM 193 CA LYS 13 -8.980 21.576 14.683 1.00 42.11 ATOM 194 HA LYS 13 -9.660 20.859 15.124 1.00 43.51 ATOM 195 CB LYS 13 -8.170 22.248 15.808 1.00 21.51 ATOM 196 HB1 LYS 13 -7.746 21.477 16.436 1.00 38.60 ATOM 197 HB2 LYS 13 -8.840 22.853 16.406 1.00 5.00 ATOM 198 CG LYS 13 -7.031 23.139 15.315 1.00 74.43 ATOM 199 HG1 LYS 13 -7.400 23.764 14.512 1.00 38.60 ATOM 200 HG2 LYS 13 -6.233 22.512 14.943 1.00 70.12 ATOM 201 CD LYS 13 -6.479 24.033 16.424 1.00 53.33 ATOM 202 HD1 LYS 13 -7.257 24.714 16.740 1.00 38.60 ATOM 203 HD2 LYS 13 -5.646 24.599 16.034 1.00 22.41 ATOM 204 CE LYS 13 -6.003 23.233 17.632 1.00 72.44 ATOM 205 HE1 LYS 13 -5.234 22.543 17.315 1.00 38.60 ATOM 206 HE2 LYS 13 -6.837 22.680 18.038 1.00 73.13 ATOM 207 NZ LYS 13 -5.450 24.116 18.693 1.00 21.12 ATOM 208 HZ1 LYS 13 -5.159 23.551 19.515 1.00 31.34 ATOM 209 HZ2 LYS 13 -6.167 24.807 18.996 1.00 15.43 ATOM 210 HZ3 LYS 13 -4.624 24.632 18.329 1.00 71.52 ATOM 211 C LYS 13 -9.805 22.633 13.930 1.00 35.05 ATOM 212 O LYS 13 -9.246 23.514 13.271 1.00 2.34 ATOM 213 N PRO 14 -11.148 22.555 13.997 1.00 13.11 ATOM 214 CA PRO 14 -12.021 23.549 13.361 1.00 62.45 ATOM 215 HA PRO 14 -11.702 23.762 12.349 1.00 40.21 ATOM 216 CB PRO 14 -13.383 22.849 13.332 1.00 55.15 ATOM 217 HB1 PRO 14 -13.490 22.302 12.407 1.00 38.60 ATOM 218 HB2 PRO 14 -14.175 23.582 13.415 1.00 70.20 ATOM 219 CG PRO 14 -13.359 21.929 14.509 1.00 22.44 ATOM 220 HG1 PRO 14 -13.984 21.070 14.315 1.00 38.60 ATOM 221 HG2 PRO 14 -13.706 22.450 15.389 1.00 23.12 ATOM 222 CD PRO 14 -11.922 21.499 14.688 1.00 14.33 ATOM 223 HD1 PRO 14 -11.756 20.534 14.227 1.00 38.60 ATOM 224 HD2 PRO 14 -11.670 21.461 15.739 1.00 21.45 ATOM 225 C PRO 14 -12.085 24.863 14.159 1.00 42.33 ATOM 226 O PRO 14 -12.991 25.078 14.969 1.00 61.53 ATOM 227 N THR 15 -11.099 25.730 13.949 1.00 20.13 ATOM 228 HN THR 15 -10.384 25.497 13.318 1.00 38.60 ATOM 229 CA THR 15 -11.046 27.021 14.641 1.00 44.22 ATOM 230 HA THR 15 -11.302 26.842 15.678 1.00 11.24 ATOM 231 CB THR 15 -9.622 27.635 14.604 1.00 12.32 ATOM 232 HB THR 15 -9.681 28.659 14.948 1.00 62.10 ATOM 233 OG1 THR 15 -9.109 27.629 13.261 1.00 44.32 ATOM 234 HG1 THR 15 -9.213 28.508 12.878 1.00 10.01 ATOM 235 CG2 THR 15 -8.669 26.872 15.520 1.00 53.45 ATOM 236 HG21 THR 15 -7.681 27.304 15.454 1.00 12.23 ATOM 237 HG22 THR 15 -8.628 25.834 15.218 1.00 42.22 ATOM 238 HG23 THR 15 -9.021 26.935 16.539 1.00 64.33 ATOM 239 C THR 15 -12.064 28.020 14.065 1.00 0.13 ATOM 240 O THR 15 -11.718 28.923 13.299 1.00 72.54 ATOM 241 N ALA 16 -13.329 27.829 14.434 1.00 13.13 ATOM 242 HN ALA 16 -13.537 27.064 15.012 1.00 38.60 ATOM 243 CA ALA 16 -14.424 28.709 14.013 1.00 75.15 ATOM 244 HA ALA 16 -13.995 29.619 13.612 1.00 2.04 ATOM 245 CB ALA 16 -15.244 28.040 12.912 1.00 11.14 ATOM 246 HB1 ALA 16 -15.705 27.143 13.297 1.00 21.21 ATOM 247 HB2 ALA 16 -14.598 27.786 12.084 1.00 40.43 ATOM 248 HB3 ALA 16 -16.013 28.719 12.571 1.00 55.10 ATOM 249 C ALA 16 -15.316 29.066 15.210 1.00 31.13 ATOM 250 O ALA 16 -15.446 28.280 16.150 1.00 51.54 ATOM 251 N ARG 17 -15.928 30.248 15.180 1.00 75.40 ATOM 252 HN ARG 17 -15.845 30.809 14.378 1.00 38.60 ATOM 253 CA ARG 17 -16.727 30.732 16.316 1.00 53.44 ATOM 254 HA ARG 17 -16.471 30.133 17.179 1.00 13.43 ATOM 255 CB ARG 17 -16.371 32.196 16.616 1.00 35.21 ATOM 256 HB1 ARG 17 -16.875 32.501 17.524 1.00 38.60 ATOM 257 HB2 ARG 17 -16.714 32.817 15.799 1.00 1.21 ATOM 258 CG ARG 17 -14.872 32.429 16.800 1.00 62.40 ATOM 259 HG1 ARG 17 -14.367 32.203 15.870 1.00 38.60 ATOM 260 HG2 ARG 17 -14.509 31.769 17.574 1.00 2.34 ATOM 261 CD ARG 17 -14.558 33.868 17.196 1.00 71.15 ATOM 262 HD1 ARG 17 -15.014 34.535 16.477 1.00 38.60 ATOM 263 HD2 ARG 17 -13.485 34.004 17.177 1.00 74.44 ATOM 264 NE ARG 17 -15.057 34.194 18.531 1.00 31.24 ATOM 265 HE ARG 17 -15.633 33.540 18.971 1.00 40.24 ATOM 266 CZ ARG 17 -14.781 35.302 19.167 1.00 74.33 ATOM 267 NH1 ARG 17 -14.013 36.196 18.630 1.00 25.22 ATOM 268 HH11 ARG 17 -13.626 36.042 17.723 1.00 1.24 ATOM 269 HH12 ARG 17 -13.810 37.040 19.123 1.00 4.32 ATOM 270 NH2 ARG 17 -15.274 35.510 20.343 1.00 3.22 ATOM 271 HH21 ARG 17 -15.870 34.829 20.762 1.00 30.35 ATOM 272 HH22 ARG 17 -15.041 36.344 20.840 1.00 44.21 ATOM 273 C ARG 17 -18.238 30.589 16.062 1.00 42.23 ATOM 274 O ARG 17 -19.026 30.490 17.005 1.00 10.33 ATOM 275 N GLY 18 -18.642 30.595 14.793 1.00 73.05 ATOM 276 HN GLY 18 -17.975 30.700 14.081 1.00 38.60 ATOM 277 CA GLY 18 -20.058 30.455 14.449 1.00 20.05 ATOM 278 HA1 GLY 18 -20.505 29.720 15.104 1.00 38.60 ATOM 279 HA2 GLY 18 -20.132 30.099 13.432 1.00 52.34 ATOM 280 C GLY 18 -20.839 31.763 14.570 1.00 62.41 ATOM 281 O GLY 18 -21.565 32.152 13.651 1.00 4.43 ATOM 282 N GLU 19 -20.697 32.436 15.712 1.00 52.43 ATOM 283 HN GLU 19 -20.150 32.045 16.425 1.00 38.60 ATOM 284 CA GLU 19 -21.341 33.735 15.943 1.00 64.32 ATOM 285 HA GLU 19 -22.410 33.581 15.930 1.00 25.41 ATOM 286 CB GLU 19 -20.933 34.280 17.319 1.00 54.44 ATOM 287 HB1 GLU 19 -21.290 33.601 18.081 1.00 38.60 ATOM 288 HB2 GLU 19 -21.399 35.246 17.466 1.00 43.23 ATOM 289 CG GLU 19 -19.425 34.444 17.491 1.00 52.15 ATOM 290 HG1 GLU 19 -19.054 35.082 16.700 1.00 38.60 ATOM 291 HG2 GLU 19 -18.959 33.471 17.410 1.00 23.24 ATOM 292 CD GLU 19 -19.047 35.056 18.827 1.00 72.22 ATOM 293 OE1 GLU 19 -18.830 34.301 19.797 1.00 14.13 ATOM 294 OE2 GLU 19 -18.971 36.298 18.914 1.00 64.03 ATOM 295 C GLU 19 -20.971 34.753 14.849 1.00 31.12 ATOM 296 O GLU 19 -19.842 34.766 14.356 1.00 43.30 ATOM 297 N ALA 20 -21.938 35.591 14.464 1.00 63.31 ATOM 298 HN ALA 20 -22.820 35.519 14.886 1.00 38.60 ATOM 299 CA ALA 20 -21.731 36.622 13.430 1.00 73.12 ATOM 300 HA ALA 20 -22.631 37.219 13.390 1.00 35.11 ATOM 301 CB ALA 20 -20.578 37.551 13.815 1.00 12.10 ATOM 302 HB1 ALA 20 -19.651 36.996 13.816 1.00 73.22 ATOM 303 HB2 ALA 20 -20.754 37.956 14.801 1.00 15.21 ATOM 304 HB3 ALA 20 -20.513 38.360 13.103 1.00 53.01 ATOM 305 C ALA 20 -21.494 36.017 12.032 1.00 11.21 ATOM 306 O ALA 20 -21.267 36.745 11.063 1.00 34.44 ATOM 307 N GLY 21 -21.555 34.690 11.928 1.00 15.30 ATOM 308 HN GLY 21 -21.723 34.153 12.731 1.00 38.60 ATOM 309 CA GLY 21 -21.366 34.025 10.646 1.00 55.02 ATOM 310 HA1 GLY 21 -20.931 33.051 10.822 1.00 38.60 ATOM 311 HA2 GLY 21 -20.679 34.607 10.046 1.00 22.31 ATOM 312 C GLY 21 -22.667 33.846 9.870 1.00 50.30 ATOM 313 O GLY 21 -23.759 34.030 10.410 1.00 71.23 ATOM 314 N SER 22 -22.549 33.488 8.598 1.00 52.11 ATOM 315 HN SER 22 -21.653 33.385 8.219 1.00 38.60 ATOM 316 CA SER 22 -23.716 33.264 7.733 1.00 32.05 ATOM 317 HA SER 22 -24.446 34.034 7.942 1.00 1.03 ATOM 318 CB SER 22 -23.303 33.357 6.259 1.00 51.00 ATOM 319 HB1 SER 22 -22.798 34.295 6.087 1.00 38.60 ATOM 320 HB2 SER 22 -24.184 33.303 5.636 1.00 10.33 ATOM 321 OG SER 22 -22.429 32.295 5.901 1.00 34.14 ATOM 322 HG SER 22 -21.698 32.644 5.377 1.00 21.21 ATOM 323 C SER 22 -24.352 31.890 7.983 1.00 21.12 ATOM 324 O SER 22 -23.908 31.126 8.844 1.00 24.31 ATOM 325 N ARG 23 -25.401 31.583 7.220 1.00 45.23 ATOM 326 HN ARG 23 -25.768 32.269 6.619 1.00 38.60 ATOM 327 CA ARG 23 -26.032 30.260 7.252 1.00 4.43 ATOM 328 HA ARG 23 -26.449 30.103 8.238 1.00 3.04 ATOM 329 CB ARG 23 -27.153 30.195 6.204 1.00 24.45 ATOM 330 HB1 ARG 23 -26.718 30.339 5.223 1.00 38.60 ATOM 331 HB2 ARG 23 -27.854 30.997 6.394 1.00 73.24 ATOM 332 CG ARG 23 -27.928 28.877 6.195 1.00 3.14 ATOM 333 HG1 ARG 23 -28.653 28.890 6.999 1.00 38.60 ATOM 334 HG2 ARG 23 -27.235 28.061 6.351 1.00 33.22 ATOM 335 CD ARG 23 -28.658 28.658 4.872 1.00 30.53 ATOM 336 HD1 ARG 23 -29.231 29.545 4.638 1.00 38.60 ATOM 337 HD2 ARG 23 -29.329 27.818 4.982 1.00 2.53 ATOM 338 NE ARG 23 -27.729 28.386 3.770 1.00 32.43 ATOM 339 HE ARG 23 -26.798 28.661 3.883 1.00 34.22 ATOM 340 CZ ARG 23 -28.056 27.764 2.667 1.00 11.24 ATOM 341 NH1 ARG 23 -29.285 27.433 2.431 1.00 50.23 ATOM 342 HH11 ARG 23 -29.999 27.656 3.093 1.00 31.41 ATOM 343 HH12 ARG 23 -29.516 26.949 1.593 1.00 41.13 ATOM 344 NH2 ARG 23 -27.145 27.494 1.790 1.00 12.31 ATOM 345 HH21 ARG 23 -26.197 27.767 1.958 1.00 14.41 ATOM 346 HH22 ARG 23 -27.382 27.002 0.955 1.00 54.20 ATOM 347 C ARG 23 -25.002 29.161 6.946 1.00 0.13 ATOM 348 O ARG 23 -24.899 28.157 7.657 1.00 10.02 ATOM 349 N ASP 24 -24.233 29.378 5.883 1.00 3.21 ATOM 350 HN ASP 24 -24.307 30.238 5.413 1.00 38.60 ATOM 351 CA ASP 24 -23.285 28.384 5.383 1.00 12.34 ATOM 352 HA ASP 24 -23.808 27.438 5.321 1.00 5.31 ATOM 353 CB ASP 24 -22.837 28.784 3.979 1.00 12.14 ATOM 354 HB1 ASP 24 -22.218 28.003 3.562 1.00 38.60 ATOM 355 HB2 ASP 24 -22.266 29.702 4.033 1.00 21.22 ATOM 356 CG ASP 24 -24.028 29.003 3.061 1.00 22.12 ATOM 357 OD1 ASP 24 -24.439 30.170 2.877 1.00 64.31 ATOM 358 OD2 ASP 24 -24.582 28.008 2.551 1.00 34.53 ATOM 359 C ASP 24 -22.077 28.208 6.319 1.00 24.41 ATOM 360 O ASP 24 -21.425 27.163 6.310 1.00 34.33 ATOM 361 N GLU 25 -21.785 29.228 7.128 1.00 20.32 ATOM 362 HN GLU 25 -22.282 30.068 7.032 1.00 38.60 ATOM 363 CA GLU 25 -20.725 29.133 8.143 1.00 51.53 ATOM 364 HA GLU 25 -19.789 28.988 7.622 1.00 22.24 ATOM 365 CB GLU 25 -20.641 30.437 8.950 1.00 52.55 ATOM 366 HB1 GLU 25 -20.090 30.252 9.862 1.00 38.60 ATOM 367 HB2 GLU 25 -21.645 30.751 9.204 1.00 4.33 ATOM 368 CG GLU 25 -19.961 31.581 8.202 1.00 60.14 ATOM 369 HG1 GLU 25 -20.088 32.491 8.772 1.00 38.60 ATOM 370 HG2 GLU 25 -20.436 31.696 7.238 1.00 42.14 ATOM 371 CD GLU 25 -18.472 31.344 7.985 1.00 2.33 ATOM 372 OE1 GLU 25 -18.106 30.658 7.009 1.00 1.02 ATOM 373 OE2 GLU 25 -17.662 31.839 8.795 1.00 23.43 ATOM 374 C GLU 25 -20.950 27.932 9.080 1.00 60.35 ATOM 375 O GLU 25 -20.014 27.191 9.390 1.00 44.33 ATOM 376 N ARG 26 -22.199 27.734 9.515 1.00 52.03 ATOM 377 HN ARG 26 -22.893 28.388 9.285 1.00 38.60 ATOM 378 CA ARG 26 -22.554 26.558 10.323 1.00 42.45 ATOM 379 HA ARG 26 -21.940 26.571 11.214 1.00 43.02 ATOM 380 CB ARG 26 -24.034 26.593 10.736 1.00 41.02 ATOM 381 HB1 ARG 26 -24.335 25.596 11.029 1.00 38.60 ATOM 382 HB2 ARG 26 -24.622 26.894 9.883 1.00 63.30 ATOM 383 CG ARG 26 -24.357 27.539 11.889 1.00 63.23 ATOM 384 HG1 ARG 26 -23.664 27.346 12.699 1.00 38.60 ATOM 385 HG2 ARG 26 -25.363 27.337 12.228 1.00 42.03 ATOM 386 CD ARG 26 -24.265 29.010 11.501 1.00 74.23 ATOM 387 HD1 ARG 26 -24.832 29.171 10.594 1.00 38.60 ATOM 388 HD2 ARG 26 -23.228 29.263 11.330 1.00 73.44 ATOM 389 NE ARG 26 -24.800 29.864 12.557 1.00 45.14 ATOM 390 HE ARG 26 -25.040 29.436 13.402 1.00 12.41 ATOM 391 CZ ARG 26 -24.997 31.146 12.446 1.00 53.01 ATOM 392 NH1 ARG 26 -24.674 31.775 11.362 1.00 4.12 ATOM 393 HH11 ARG 26 -24.273 31.280 10.599 1.00 11.12 ATOM 394 HH12 ARG 26 -24.822 32.761 11.297 1.00 42.44 ATOM 395 NH2 ARG 26 -25.527 31.800 13.427 1.00 0.13 ATOM 396 HH21 ARG 26 -25.785 31.322 14.264 1.00 31.31 ATOM 397 HH22 ARG 26 -25.677 32.782 13.344 1.00 31.32 ATOM 398 C ARG 26 -22.280 25.260 9.554 1.00 30.44 ATOM 399 O ARG 26 -21.684 24.321 10.082 1.00 75.00 ATOM 400 N ARG 27 -22.723 25.224 8.303 1.00 43.31 ATOM 401 HN ARG 27 -23.175 26.013 7.941 1.00 38.60 ATOM 402 CA ARG 27 -22.552 24.049 7.445 1.00 73.43 ATOM 403 HA ARG 27 -23.052 23.218 7.919 1.00 23.34 ATOM 404 CB ARG 27 -23.205 24.313 6.082 1.00 1.23 ATOM 405 HB1 ARG 27 -23.105 23.431 5.469 1.00 38.60 ATOM 406 HB2 ARG 27 -22.687 25.132 5.602 1.00 4.32 ATOM 407 CG ARG 27 -24.688 24.672 6.169 1.00 45.21 ATOM 408 HG1 ARG 27 -25.044 24.932 5.181 1.00 38.60 ATOM 409 HG2 ARG 27 -24.803 25.522 6.826 1.00 51.12 ATOM 410 CD ARG 27 -25.527 23.517 6.710 1.00 64.24 ATOM 411 HD1 ARG 27 -25.091 23.172 7.638 1.00 38.60 ATOM 412 HD2 ARG 27 -25.515 22.712 5.989 1.00 1.23 ATOM 413 NE ARG 27 -26.911 23.919 6.958 1.00 1.44 ATOM 414 HE ARG 27 -27.058 24.792 7.377 1.00 50.45 ATOM 415 CZ ARG 27 -27.957 23.191 6.679 1.00 31.32 ATOM 416 NH1 ARG 27 -27.829 22.029 6.121 1.00 53.30 ATOM 417 HH11 ARG 27 -26.922 21.677 5.898 1.00 3.30 ATOM 418 HH12 ARG 27 -28.640 21.486 5.919 1.00 42.34 ATOM 419 NH2 ARG 27 -29.139 23.630 6.965 1.00 50.31 ATOM 420 HH21 ARG 27 -29.248 24.520 7.400 1.00 61.12 ATOM 421 HH22 ARG 27 -29.941 23.077 6.749 1.00 31.12 ATOM 422 C ARG 27 -21.065 23.694 7.266 1.00 44.43 ATOM 423 O ARG 27 -20.689 22.518 7.259 1.00 44.32 ATOM 424 N ALA 28 -20.226 24.721 7.137 1.00 54.23 ATOM 425 HN ALA 28 -20.589 25.632 7.142 1.00 38.60 ATOM 426 CA ALA 28 -18.781 24.534 6.975 1.00 13.45 ATOM 427 HA ALA 28 -18.626 23.911 6.105 1.00 24.13 ATOM 428 CB ALA 28 -18.107 25.877 6.718 1.00 33.20 ATOM 429 HB1 ALA 28 -18.232 26.515 7.580 1.00 45.13 ATOM 430 HB2 ALA 28 -18.556 26.348 5.856 1.00 21.12 ATOM 431 HB3 ALA 28 -17.052 25.723 6.534 1.00 21.35 ATOM 432 C ALA 28 -18.149 23.845 8.196 1.00 22.22 ATOM 433 O ALA 28 -17.453 22.837 8.062 1.00 55.33 ATOM 434 N LEU 29 -18.400 24.389 9.387 1.00 0.44 ATOM 435 HN LEU 29 -18.972 25.188 9.436 1.00 38.60 ATOM 436 CA LEU 29 -17.837 23.832 10.624 1.00 32.40 ATOM 437 HA LEU 29 -16.800 23.601 10.422 1.00 72.43 ATOM 438 CB LEU 29 -17.884 24.884 11.755 1.00 24.21 ATOM 439 HB1 LEU 29 -17.214 25.690 11.485 1.00 38.60 ATOM 440 HB2 LEU 29 -17.503 24.423 12.657 1.00 22.52 ATOM 441 CG LEU 29 -19.267 25.499 12.073 1.00 74.50 ATOM 442 HG LEU 29 -19.816 25.617 11.147 1.00 33.52 ATOM 443 CD1 LEU 29 -20.094 24.589 12.983 1.00 21.23 ATOM 444 HD11 LEU 29 -19.569 24.435 13.915 1.00 32.12 ATOM 445 HD12 LEU 29 -20.248 23.637 12.497 1.00 64.45 ATOM 446 HD13 LEU 29 -21.051 25.050 13.181 1.00 51.13 ATOM 447 CD2 LEU 29 -19.109 26.887 12.695 1.00 23.45 ATOM 448 HD21 LEU 29 -20.085 27.312 12.880 1.00 52.41 ATOM 449 HD22 LEU 29 -18.564 27.528 12.016 1.00 4.23 ATOM 450 HD23 LEU 29 -18.569 26.807 13.628 1.00 2.23 ATOM 451 C LEU 29 -18.539 22.521 11.036 1.00 4.21 ATOM 452 O LEU 29 -17.977 21.716 11.778 1.00 21.43 ATOM 453 N ALA 30 -19.763 22.308 10.546 1.00 13.33 ATOM 454 HN ALA 30 -20.180 23.002 9.993 1.00 38.60 ATOM 455 CA ALA 30 -20.507 21.070 10.826 1.00 25.33 ATOM 456 HA ALA 30 -20.427 20.869 11.886 1.00 74.11 ATOM 457 CB ALA 30 -21.986 21.250 10.490 1.00 73.11 ATOM 458 HB1 ALA 30 -22.383 22.085 11.050 1.00 54.31 ATOM 459 HB2 ALA 30 -22.528 20.352 10.751 1.00 51.31 ATOM 460 HB3 ALA 30 -22.096 21.442 9.431 1.00 64.13 ATOM 461 C ALA 30 -19.927 19.875 10.051 1.00 42.20 ATOM 462 O ALA 30 -19.691 18.805 10.613 1.00 71.10 ATOM 463 N MET 31 -19.695 20.069 8.753 1.00 72.13 ATOM 464 HN MET 31 -19.915 20.941 8.358 1.00 38.60 ATOM 465 CA MET 31 -19.122 19.021 7.897 1.00 40.23 ATOM 466 HA MET 31 -19.417 18.062 8.302 1.00 10.13 ATOM 467 CB MET 31 -19.679 19.150 6.471 1.00 32.22 ATOM 468 HB1 MET 31 -19.236 18.384 5.850 1.00 38.60 ATOM 469 HB2 MET 31 -19.410 20.120 6.075 1.00 41.31 ATOM 470 CG MET 31 -21.194 19.006 6.396 1.00 20.10 ATOM 471 HG1 MET 31 -21.517 19.241 5.392 1.00 38.60 ATOM 472 HG2 MET 31 -21.644 19.702 7.088 1.00 71.01 ATOM 473 SD MET 31 -21.756 17.344 6.809 1.00 53.24 ATOM 474 CE MET 31 -21.068 16.414 5.439 1.00 62.25 ATOM 475 HE1 MET 31 -21.437 16.820 4.508 1.00 63.13 ATOM 476 HE2 MET 31 -21.366 15.380 5.522 1.00 34.13 ATOM 477 HE3 MET 31 -19.990 16.481 5.462 1.00 24.32 ATOM 478 C MET 31 -17.586 19.094 7.874 1.00 51.42 ATOM 479 O MET 31 -16.930 18.313 7.185 1.00 3.01 ATOM 480 N LYS 32 -17.033 20.037 8.641 1.00 1.30 ATOM 481 HN LYS 32 -17.624 20.603 9.179 1.00 38.60 ATOM 482 CA LYS 32 -15.582 20.275 8.713 1.00 21.54 ATOM 483 HA LYS 32 -15.446 21.190 9.276 1.00 35.42 ATOM 484 CB LYS 32 -14.860 19.139 9.464 1.00 10.02 ATOM 485 HB1 LYS 32 -13.807 19.379 9.532 1.00 38.60 ATOM 486 HB2 LYS 32 -14.975 18.222 8.902 1.00 52.02 ATOM 487 CG LYS 32 -15.396 18.906 10.879 1.00 45.44 ATOM 488 HG1 LYS 32 -16.315 18.340 10.813 1.00 38.60 ATOM 489 HG2 LYS 32 -15.600 19.864 11.337 1.00 0.51 ATOM 490 CD LYS 32 -14.409 18.143 11.762 1.00 74.31 ATOM 491 HD1 LYS 32 -14.851 18.013 12.741 1.00 38.60 ATOM 492 HD2 LYS 32 -13.504 18.725 11.857 1.00 32.14 ATOM 493 CE LYS 32 -14.053 16.772 11.199 1.00 50.44 ATOM 494 HE1 LYS 32 -13.606 16.896 10.223 1.00 38.60 ATOM 495 HE2 LYS 32 -14.956 16.185 11.110 1.00 72.34 ATOM 496 NZ LYS 32 -13.097 16.053 12.082 1.00 10.30 ATOM 497 HZ1 LYS 32 -13.552 15.815 12.985 1.00 25.44 ATOM 498 HZ2 LYS 32 -12.265 16.649 12.278 1.00 12.42 ATOM 499 HZ3 LYS 32 -12.776 15.176 11.628 1.00 41.44 ATOM 500 C LYS 32 -14.967 20.494 7.319 1.00 33.11 ATOM 501 O LYS 32 -14.304 19.615 6.759 1.00 13.11 ATOM 502 N ILE 33 -15.222 21.672 6.757 1.00 32.34 ATOM 503 HN ILE 33 -15.797 22.309 7.235 1.00 38.60 ATOM 504 CA ILE 33 -14.687 22.049 5.449 1.00 20.33 ATOM 505 HA ILE 33 -14.527 21.143 4.878 1.00 72.25 ATOM 506 CB ILE 33 -15.702 22.936 4.680 1.00 44.03 ATOM 507 HB ILE 33 -15.866 23.834 5.259 1.00 52.41 ATOM 508 CG1 ILE 33 -17.048 22.203 4.511 1.00 0.33 ATOM 509 HG11 ILE 33 -17.727 22.838 3.957 1.00 38.60 ATOM 510 HG12 ILE 33 -17.468 22.006 5.486 1.00 5.31 ATOM 511 CG2 ILE 33 -15.142 23.351 3.321 1.00 44.24 ATOM 512 HG21 ILE 33 -14.910 22.470 2.739 1.00 40.14 ATOM 513 HG22 ILE 33 -14.243 23.937 3.462 1.00 34.51 ATOM 514 HG23 ILE 33 -15.877 23.944 2.796 1.00 1.04 ATOM 515 CD1 ILE 33 -16.949 20.879 3.778 1.00 12.03 ATOM 516 HD11 ILE 33 -17.932 20.438 3.696 1.00 30.45 ATOM 517 HD12 ILE 33 -16.301 20.211 4.327 1.00 2.23 ATOM 518 HD13 ILE 33 -16.544 21.041 2.789 1.00 44.32 ATOM 519 C ILE 33 -13.346 22.797 5.601 1.00 24.33 ATOM 520 O ILE 33 -13.292 23.870 6.204 1.00 34.10 ATOM 521 N PRO 34 -12.250 22.249 5.035 1.00 43.21 ATOM 522 CA PRO 34 -10.888 22.809 5.207 1.00 63.31 ATOM 523 HA PRO 34 -10.663 22.962 6.254 1.00 60.22 ATOM 524 CB PRO 34 -9.991 21.690 4.660 1.00 53.01 ATOM 525 HB1 PRO 34 -9.705 21.027 5.465 1.00 38.60 ATOM 526 HB2 PRO 34 -9.105 22.114 4.206 1.00 13.42 ATOM 527 CG PRO 34 -10.839 20.986 3.657 1.00 71.25 ATOM 528 HG1 PRO 34 -10.508 19.963 3.544 1.00 38.60 ATOM 529 HG2 PRO 34 -10.790 21.502 2.707 1.00 71.55 ATOM 530 CD PRO 34 -12.240 21.027 4.203 1.00 60.14 ATOM 531 HD1 PRO 34 -12.439 20.151 4.804 1.00 38.60 ATOM 532 HD2 PRO 34 -12.958 21.102 3.396 1.00 22.13 ATOM 533 C PRO 34 -10.631 24.133 4.447 1.00 52.45 ATOM 534 O PRO 34 -9.477 24.537 4.270 1.00 72.10 ATOM 535 N PHE 35 -11.698 24.802 4.010 1.00 63.01 ATOM 536 HN PHE 35 -12.586 24.413 4.139 1.00 38.60 ATOM 537 CA PHE 35 -11.585 26.110 3.348 1.00 63.23 ATOM 538 HA PHE 35 -10.722 26.608 3.771 1.00 21.31 ATOM 539 CB PHE 35 -11.355 25.942 1.834 1.00 44.03 ATOM 540 HB1 PHE 35 -10.372 25.516 1.678 1.00 38.60 ATOM 541 HB2 PHE 35 -11.388 26.913 1.363 1.00 65.41 ATOM 542 CG PHE 35 -12.358 25.058 1.132 1.00 35.12 ATOM 543 CD1 PHE 35 -12.122 23.695 0.996 1.00 43.03 ATOM 544 HD1 PHE 35 -11.220 23.267 1.410 1.00 73.52 ATOM 545 CD2 PHE 35 -13.524 25.588 0.593 1.00 33.00 ATOM 546 HD2 PHE 35 -13.722 26.649 0.691 1.00 54.21 ATOM 547 CE1 PHE 35 -13.026 22.885 0.342 1.00 45.11 ATOM 548 HE1 PHE 35 -12.829 21.827 0.244 1.00 13.15 ATOM 549 CE2 PHE 35 -14.431 24.777 -0.060 1.00 73.25 ATOM 550 HE2 PHE 35 -15.334 25.201 -0.474 1.00 32.23 ATOM 551 CZ PHE 35 -14.182 23.425 -0.187 1.00 43.34 ATOM 552 HZ PHE 35 -14.892 22.790 -0.699 1.00 21.10 ATOM 553 C PHE 35 -12.824 26.986 3.628 1.00 44.24 ATOM 554 O PHE 35 -13.934 26.472 3.785 1.00 53.33 ATOM 555 N PRO 36 -12.647 28.323 3.704 1.00 20.23 ATOM 556 CA PRO 36 -13.728 29.255 4.094 1.00 73.33 ATOM 557 HA PRO 36 -14.180 28.955 5.030 1.00 63.21 ATOM 558 CB PRO 36 -12.981 30.581 4.297 1.00 52.13 ATOM 559 HB1 PRO 36 -12.686 30.676 5.333 1.00 38.60 ATOM 560 HB2 PRO 36 -13.620 31.410 4.023 1.00 33.41 ATOM 561 CG PRO 36 -11.793 30.483 3.401 1.00 61.32 ATOM 562 HG1 PRO 36 -10.996 31.107 3.776 1.00 38.60 ATOM 563 HG2 PRO 36 -12.064 30.781 2.396 1.00 75.21 ATOM 564 CD PRO 36 -11.382 29.035 3.424 1.00 0.21 ATOM 565 HD1 PRO 36 -10.660 28.858 4.210 1.00 38.60 ATOM 566 HD2 PRO 36 -10.975 28.742 2.466 1.00 2.34 ATOM 567 C PRO 36 -14.835 29.417 3.032 1.00 62.33 ATOM 568 O PRO 36 -14.581 29.337 1.827 1.00 41.04 ATOM 569 N THR 37 -16.062 29.676 3.496 1.00 65.41 ATOM 570 HN THR 37 -16.196 29.750 4.465 1.00 38.60 ATOM 571 CA THR 37 -17.216 29.862 2.601 1.00 40.31 ATOM 572 HA THR 37 -17.249 29.019 1.924 1.00 33.30 ATOM 573 CB THR 37 -18.554 29.908 3.378 1.00 4.35 ATOM 574 HB THR 37 -19.367 29.964 2.665 1.00 72.22 ATOM 575 OG1 THR 37 -18.596 31.069 4.221 1.00 4.23 ATOM 576 HG1 THR 37 -18.629 30.795 5.145 1.00 74.21 ATOM 577 CG2 THR 37 -18.738 28.654 4.225 1.00 11.34 ATOM 578 HG21 THR 37 -19.696 28.693 4.724 1.00 41.22 ATOM 579 HG22 THR 37 -17.951 28.599 4.964 1.00 50.54 ATOM 580 HG23 THR 37 -18.700 27.779 3.593 1.00 22.25 ATOM 581 C THR 37 -17.087 31.149 1.780 1.00 20.11 ATOM 582 O THR 37 -17.521 31.208 0.630 1.00 21.31 ATOM 583 N ASP 38 -16.493 32.182 2.378 1.00 71.52 ATOM 584 HN ASP 38 -16.240 32.101 3.324 1.00 38.60 ATOM 585 CA ASP 38 -16.232 33.442 1.673 1.00 2.12 ATOM 586 HA ASP 38 -17.184 33.907 1.455 1.00 51.01 ATOM 587 CB ASP 38 -15.405 34.379 2.558 1.00 54.11 ATOM 588 HB1 ASP 38 -15.310 35.339 2.068 1.00 38.60 ATOM 589 HB2 ASP 38 -14.420 33.956 2.701 1.00 55.54 ATOM 590 CG ASP 38 -16.039 34.592 3.919 1.00 52.21 ATOM 591 OD1 ASP 38 -15.801 33.763 4.823 1.00 42.03 ATOM 592 OD2 ASP 38 -16.779 35.582 4.095 1.00 35.52 ATOM 593 C ASP 38 -15.489 33.182 0.353 1.00 63.21 ATOM 594 O ASP 38 -15.856 33.707 -0.701 1.00 12.31 ATOM 595 N LYS 39 -14.455 32.346 0.422 1.00 4.13 ATOM 596 HN LYS 39 -14.215 31.964 1.291 1.00 38.60 ATOM 597 CA LYS 39 -13.665 31.984 -0.760 1.00 63.42 ATOM 598 HA LYS 39 -13.258 32.892 -1.181 1.00 3.13 ATOM 599 CB LYS 39 -12.507 31.066 -0.350 1.00 31.41 ATOM 600 HB1 LYS 39 -12.902 30.083 -0.130 1.00 38.60 ATOM 601 HB2 LYS 39 -12.045 31.466 0.542 1.00 65.13 ATOM 602 CG LYS 39 -11.434 30.923 -1.420 1.00 1.34 ATOM 603 HG1 LYS 39 -11.052 31.906 -1.664 1.00 38.60 ATOM 604 HG2 LYS 39 -11.875 30.479 -2.303 1.00 4.20 ATOM 605 CD LYS 39 -10.278 30.046 -0.951 1.00 21.32 ATOM 606 HD1 LYS 39 -10.617 29.020 -0.890 1.00 38.60 ATOM 607 HD2 LYS 39 -9.958 30.378 0.027 1.00 51.20 ATOM 608 CE LYS 39 -9.095 30.120 -1.907 1.00 4.15 ATOM 609 HE1 LYS 39 -9.430 29.837 -2.895 1.00 38.60 ATOM 610 HE2 LYS 39 -8.333 29.431 -1.574 1.00 64.32 ATOM 611 NZ LYS 39 -8.511 31.489 -1.968 1.00 64.02 ATOM 612 HZ1 LYS 39 -8.224 31.799 -1.016 1.00 71.24 ATOM 613 HZ2 LYS 39 -9.208 32.163 -2.341 1.00 70.42 ATOM 614 HZ3 LYS 39 -7.674 31.493 -2.587 1.00 43.22 ATOM 615 C LYS 39 -14.542 31.297 -1.818 1.00 73.14 ATOM 616 O LYS 39 -14.406 31.548 -3.013 1.00 72.22 ATOM 617 N ILE 40 -15.452 30.443 -1.351 1.00 34.40 ATOM 618 HN ILE 40 -15.489 30.280 -0.385 1.00 38.60 ATOM 619 CA ILE 40 -16.403 29.734 -2.223 1.00 70.14 ATOM 620 HA ILE 40 -15.838 29.118 -2.911 1.00 51.14 ATOM 621 CB ILE 40 -17.322 28.809 -1.378 1.00 0.50 ATOM 622 HB ILE 40 -17.876 29.430 -0.690 1.00 70.53 ATOM 623 CG1 ILE 40 -16.482 27.804 -0.571 1.00 64.13 ATOM 624 HG11 ILE 40 -15.767 28.345 0.033 1.00 38.60 ATOM 625 HG12 ILE 40 -15.949 27.156 -1.253 1.00 24.31 ATOM 626 CG2 ILE 40 -18.329 28.077 -2.261 1.00 45.24 ATOM 627 HG21 ILE 40 -17.803 27.470 -2.981 1.00 31.35 ATOM 628 HG22 ILE 40 -18.946 28.796 -2.782 1.00 63.11 ATOM 629 HG23 ILE 40 -18.957 27.447 -1.648 1.00 15.54 ATOM 630 CD1 ILE 40 -17.299 26.925 0.355 1.00 4.54 ATOM 631 HD11 ILE 40 -18.028 26.374 -0.220 1.00 54.30 ATOM 632 HD12 ILE 40 -17.807 27.539 1.083 1.00 33.50 ATOM 633 HD13 ILE 40 -16.644 26.234 0.862 1.00 72.14 ATOM 634 C ILE 40 -17.279 30.715 -3.030 1.00 44.13 ATOM 635 O ILE 40 -17.744 30.400 -4.128 1.00 2.13 ATOM 636 N VAL 41 -17.503 31.903 -2.468 1.00 54.10 ATOM 637 HN VAL 41 -17.101 32.094 -1.596 1.00 38.60 ATOM 638 CA VAL 41 -18.338 32.926 -3.107 1.00 43.35 ATOM 639 HA VAL 41 -19.095 32.419 -3.696 1.00 44.53 ATOM 640 CB VAL 41 -19.059 33.790 -2.043 1.00 64.23 ATOM 641 HB VAL 41 -18.307 34.285 -1.443 1.00 55.51 ATOM 642 CG1 VAL 41 -19.923 34.861 -2.703 1.00 62.44 ATOM 643 HG11 VAL 41 -19.297 35.531 -3.274 1.00 70.40 ATOM 644 HG12 VAL 41 -20.449 35.421 -1.943 1.00 24.43 ATOM 645 HG13 VAL 41 -20.638 34.391 -3.363 1.00 13.50 ATOM 646 CG2 VAL 41 -19.900 32.910 -1.119 1.00 22.11 ATOM 647 HG21 VAL 41 -19.269 32.164 -0.657 1.00 4.31 ATOM 648 HG22 VAL 41 -20.676 32.422 -1.691 1.00 10.32 ATOM 649 HG23 VAL 41 -20.352 33.523 -0.351 1.00 64.22 ATOM 650 C VAL 41 -17.522 33.846 -4.035 1.00 52.12 ATOM 651 O VAL 41 -17.978 34.210 -5.122 1.00 70.23 ATOM 652 N ASN 42 -16.322 34.236 -3.596 1.00 12.13 ATOM 653 HN ASN 42 -16.013 33.925 -2.720 1.00 38.60 ATOM 654 CA ASN 42 -15.459 35.122 -4.396 1.00 54.32 ATOM 655 HA ASN 42 -16.066 35.956 -4.720 1.00 10.11 ATOM 656 CB ASN 42 -14.298 35.666 -3.547 1.00 32.04 ATOM 657 HB1 ASN 42 -13.580 36.148 -4.194 1.00 38.60 ATOM 658 HB2 ASN 42 -13.817 34.844 -3.035 1.00 74.40 ATOM 659 CG ASN 42 -14.759 36.675 -2.507 1.00 43.23 ATOM 660 OD1 ASN 42 -14.874 37.864 -2.785 1.00 14.34 ATOM 661 ND2 ASN 42 -15.007 36.222 -1.297 1.00 25.50 ATOM 662 HD21 ASN 42 -14.882 35.267 -1.125 1.00 34.30 ATOM 663 HD22 ASN 42 -15.301 36.862 -0.620 1.00 31.11 ATOM 664 C ASN 42 -14.912 34.417 -5.650 1.00 0.20 ATOM 665 O ASN 42 -14.659 35.059 -6.673 1.00 73.51 ATOM 666 N LEU 43 -14.727 33.103 -5.567 1.00 31.52 ATOM 667 HN LEU 43 -14.932 32.642 -4.725 1.00 38.60 ATOM 668 CA LEU 43 -14.232 32.324 -6.706 1.00 42.24 ATOM 669 HA LEU 43 -13.515 32.937 -7.235 1.00 22.13 ATOM 670 CB LEU 43 -13.524 31.046 -6.224 1.00 22.43 ATOM 671 HB1 LEU 43 -13.255 30.462 -7.093 1.00 38.60 ATOM 672 HB2 LEU 43 -14.226 30.473 -5.633 1.00 21.43 ATOM 673 CG LEU 43 -12.253 31.262 -5.384 1.00 70.35 ATOM 674 HG LEU 43 -12.522 31.764 -4.464 1.00 3.32 ATOM 675 CD1 LEU 43 -11.619 29.921 -5.016 1.00 71.31 ATOM 676 HD11 LEU 43 -10.724 30.091 -4.437 1.00 0.15 ATOM 677 HD12 LEU 43 -11.367 29.380 -5.917 1.00 12.13 ATOM 678 HD13 LEU 43 -12.318 29.339 -4.432 1.00 62.14 ATOM 679 CD2 LEU 43 -11.255 32.147 -6.128 1.00 11.20 ATOM 680 HD21 LEU 43 -10.359 32.263 -5.535 1.00 1.31 ATOM 681 HD22 LEU 43 -11.696 33.117 -6.303 1.00 20.42 ATOM 682 HD23 LEU 43 -11.003 31.692 -7.076 1.00 60.51 ATOM 683 C LEU 43 -15.371 31.952 -7.674 1.00 51.24 ATOM 684 O LEU 43 -16.391 31.391 -7.266 1.00 54.42 ATOM 685 N PRO 44 -15.217 32.261 -8.979 1.00 23.35 ATOM 686 CA PRO 44 -16.205 31.877 -9.999 1.00 13.33 ATOM 687 HA PRO 44 -17.195 32.229 -9.741 1.00 61.52 ATOM 688 CB PRO 44 -15.710 32.597 -11.262 1.00 65.11 ATOM 689 HB1 PRO 44 -16.217 33.549 -11.357 1.00 38.60 ATOM 690 HB2 PRO 44 -15.910 31.990 -12.136 1.00 60.00 ATOM 691 CG PRO 44 -14.247 32.779 -11.042 1.00 41.21 ATOM 692 HG1 PRO 44 -13.894 33.639 -11.595 1.00 38.60 ATOM 693 HG2 PRO 44 -13.713 31.890 -11.352 1.00 32.33 ATOM 694 CD PRO 44 -14.079 33.002 -9.561 1.00 24.43 ATOM 695 HD1 PRO 44 -14.144 34.055 -9.328 1.00 38.60 ATOM 696 HD2 PRO 44 -13.137 32.596 -9.219 1.00 64.12 ATOM 697 C PRO 44 -16.249 30.355 -10.216 1.00 70.41 ATOM 698 O PRO 44 -15.335 29.637 -9.813 1.00 72.05 ATOM 699 N VAL 45 -17.306 29.874 -10.873 1.00 54.33 ATOM 700 HN VAL 45 -17.978 30.502 -11.210 1.00 38.60 ATOM 701 CA VAL 45 -17.504 28.430 -11.097 1.00 21.54 ATOM 702 HA VAL 45 -17.749 27.987 -10.141 1.00 41.02 ATOM 703 CB VAL 45 -18.696 28.182 -12.059 1.00 64.22 ATOM 704 HB VAL 45 -19.577 28.622 -11.612 1.00 5.41 ATOM 705 CG1 VAL 45 -18.466 28.863 -13.406 1.00 72.43 ATOM 706 HG11 VAL 45 -17.588 28.444 -13.880 1.00 14.21 ATOM 707 HG12 VAL 45 -18.321 29.925 -13.255 1.00 2.43 ATOM 708 HG13 VAL 45 -19.326 28.706 -14.041 1.00 35.23 ATOM 709 CG2 VAL 45 -18.955 26.686 -12.238 1.00 32.33 ATOM 710 HG21 VAL 45 -19.806 26.543 -12.888 1.00 63.12 ATOM 711 HG22 VAL 45 -19.158 26.237 -11.276 1.00 52.02 ATOM 712 HG23 VAL 45 -18.084 26.217 -12.677 1.00 22.31 ATOM 713 C VAL 45 -16.236 27.736 -11.644 1.00 14.24 ATOM 714 O VAL 45 -15.963 26.580 -11.318 1.00 1.31 ATOM 715 N ASP 46 -15.460 28.461 -12.452 1.00 3.15 ATOM 716 HN ASP 46 -15.738 29.368 -12.683 1.00 38.60 ATOM 717 CA ASP 46 -14.208 27.940 -13.013 1.00 53.41 ATOM 718 HA ASP 46 -14.446 27.060 -13.596 1.00 53.03 ATOM 719 CB ASP 46 -13.583 28.997 -13.933 1.00 21.24 ATOM 720 HB1 ASP 46 -13.214 29.814 -13.329 1.00 38.60 ATOM 721 HB2 ASP 46 -14.342 29.374 -14.605 1.00 23.51 ATOM 722 CG ASP 46 -12.432 28.452 -14.763 1.00 42.21 ATOM 723 OD1 ASP 46 -12.669 28.045 -15.919 1.00 53.04 ATOM 724 OD2 ASP 46 -11.285 28.435 -14.270 1.00 64.50 ATOM 725 C ASP 46 -13.217 27.548 -11.897 1.00 21.24 ATOM 726 O ASP 46 -12.855 26.378 -11.754 1.00 71.33 ATOM 727 N ASP 47 -12.796 28.533 -11.098 1.00 13.15 ATOM 728 HN ASP 47 -13.110 29.445 -11.263 1.00 38.60 ATOM 729 CA ASP 47 -11.870 28.286 -9.985 1.00 52.02 ATOM 730 HA ASP 47 -11.013 27.760 -10.383 1.00 74.42 ATOM 731 CB ASP 47 -11.397 29.615 -9.382 1.00 30.30 ATOM 732 HB1 ASP 47 -10.730 29.412 -8.556 1.00 38.60 ATOM 733 HB2 ASP 47 -12.254 30.164 -9.016 1.00 64.11 ATOM 734 CG ASP 47 -10.661 30.484 -10.388 1.00 62.33 ATOM 735 OD1 ASP 47 -9.666 30.014 -10.973 1.00 73.22 ATOM 736 OD2 ASP 47 -11.064 31.649 -10.591 1.00 53.44 ATOM 737 C ASP 47 -12.518 27.413 -8.893 1.00 4.42 ATOM 738 O ASP 47 -11.839 26.650 -8.204 1.00 22.11 ATOM 739 N PHE 48 -13.836 27.529 -8.752 1.00 23.12 ATOM 740 HN PHE 48 -14.313 28.167 -9.319 1.00 38.60 ATOM 741 CA PHE 48 -14.600 26.745 -7.775 1.00 73.43 ATOM 742 HA PHE 48 -14.212 26.976 -6.791 1.00 60.33 ATOM 743 CB PHE 48 -16.079 27.153 -7.829 1.00 21.05 ATOM 744 HB1 PHE 48 -16.431 27.068 -8.849 1.00 38.60 ATOM 745 HB2 PHE 48 -16.174 28.182 -7.510 1.00 13.44 ATOM 746 CG PHE 48 -16.971 26.311 -6.954 1.00 41.25 ATOM 747 CD1 PHE 48 -17.810 25.353 -7.507 1.00 11.11 ATOM 748 HD1 PHE 48 -17.826 25.218 -8.580 1.00 12.50 ATOM 749 CD2 PHE 48 -16.961 26.469 -5.577 1.00 34.15 ATOM 750 HD2 PHE 48 -16.313 27.210 -5.131 1.00 30.44 ATOM 751 CE1 PHE 48 -18.619 24.575 -6.704 1.00 3.21 ATOM 752 HE1 PHE 48 -19.268 23.833 -7.146 1.00 32.22 ATOM 753 CE2 PHE 48 -17.769 25.694 -4.774 1.00 64.53 ATOM 754 HE2 PHE 48 -17.753 25.829 -3.704 1.00 32.04 ATOM 755 CZ PHE 48 -18.598 24.747 -5.336 1.00 75.13 ATOM 756 HZ PHE 48 -19.229 24.138 -4.704 1.00 71.14 ATOM 757 C PHE 48 -14.459 25.232 -8.016 1.00 41.34 ATOM 758 O PHE 48 -14.072 24.483 -7.116 1.00 23.41 ATOM 759 N ASN 49 -14.771 24.784 -9.234 1.00 74.01 ATOM 760 HN ASN 49 -15.081 25.421 -9.915 1.00 38.60 ATOM 761 CA ASN 49 -14.669 23.358 -9.578 1.00 30.23 ATOM 762 HA ASN 49 -15.312 22.816 -8.898 1.00 43.43 ATOM 763 CB ASN 49 -15.159 23.117 -11.009 1.00 71.21 ATOM 764 HB1 ASN 49 -14.983 22.085 -11.276 1.00 38.60 ATOM 765 HB2 ASN 49 -14.610 23.758 -11.685 1.00 11.53 ATOM 766 CG ASN 49 -16.643 23.406 -11.167 1.00 14.45 ATOM 767 OD1 ASN 49 -17.425 23.251 -10.232 1.00 15.15 ATOM 768 ND2 ASN 49 -17.046 23.827 -12.347 1.00 5.12 ATOM 769 HD21 ASN 49 -16.376 23.934 -13.054 1.00 73.45 ATOM 770 HD22 ASN 49 -17.996 24.011 -12.467 1.00 50.20 ATOM 771 C ASN 49 -13.232 22.833 -9.402 1.00 71.52 ATOM 772 O ASN 49 -13.019 21.649 -9.119 1.00 1.03 ATOM 773 N GLU 50 -12.253 23.719 -9.575 1.00 4.24 ATOM 774 HN GLU 50 -12.477 24.614 -9.913 1.00 38.60 ATOM 775 CA GLU 50 -10.852 23.399 -9.281 1.00 15.42 ATOM 776 HA GLU 50 -10.610 22.473 -9.783 1.00 23.14 ATOM 777 CB GLU 50 -9.931 24.509 -9.808 1.00 72.35 ATOM 778 HB1 GLU 50 -8.958 24.407 -9.347 1.00 38.60 ATOM 779 HB2 GLU 50 -10.348 25.467 -9.530 1.00 71.11 ATOM 780 CG GLU 50 -9.746 24.496 -11.319 1.00 4.40 ATOM 781 HG1 GLU 50 -9.145 25.349 -11.604 1.00 38.60 ATOM 782 HG2 GLU 50 -10.718 24.572 -11.791 1.00 61.24 ATOM 783 CD GLU 50 -9.058 23.230 -11.803 1.00 21.31 ATOM 784 OE1 GLU 50 -9.718 22.399 -12.464 1.00 62.53 ATOM 785 OE2 GLU 50 -7.857 23.051 -11.498 1.00 21.32 ATOM 786 C GLU 50 -10.628 23.214 -7.772 1.00 13.54 ATOM 787 O GLU 50 -10.004 22.242 -7.340 1.00 51.22 ATOM 788 N LEU 51 -11.147 24.150 -6.978 1.00 74.43 ATOM 789 HN LEU 51 -11.636 24.899 -7.387 1.00 38.60 ATOM 790 CA LEU 51 -11.012 24.108 -5.516 1.00 52.32 ATOM 791 HA LEU 51 -9.964 24.227 -5.280 1.00 24.01 ATOM 792 CB LEU 51 -11.799 25.273 -4.892 1.00 64.14 ATOM 793 HB1 LEU 51 -12.842 25.144 -5.143 1.00 38.60 ATOM 794 HB2 LEU 51 -11.453 26.194 -5.345 1.00 0.30 ATOM 795 CG LEU 51 -11.686 25.415 -3.363 1.00 61.40 ATOM 796 HG LEU 51 -12.032 24.503 -2.897 1.00 4.42 ATOM 797 CD1 LEU 51 -10.233 25.628 -2.947 1.00 24.34 ATOM 798 HD11 LEU 51 -10.178 25.717 -1.873 1.00 24.13 ATOM 799 HD12 LEU 51 -9.852 26.531 -3.405 1.00 64.12 ATOM 800 HD13 LEU 51 -9.638 24.783 -3.267 1.00 41.40 ATOM 801 CD2 LEU 51 -12.564 26.564 -2.863 1.00 63.42 ATOM 802 HD21 LEU 51 -13.594 26.372 -3.130 1.00 63.33 ATOM 803 HD22 LEU 51 -12.242 27.491 -3.315 1.00 74.25 ATOM 804 HD23 LEU 51 -12.483 26.641 -1.787 1.00 32.14 ATOM 805 C LEU 51 -11.503 22.765 -4.937 1.00 23.42 ATOM 806 O LEU 51 -10.881 22.200 -4.033 1.00 2.54 ATOM 807 N LEU 52 -12.606 22.250 -5.485 1.00 52.30 ATOM 808 HN LEU 52 -13.050 22.748 -6.206 1.00 38.60 ATOM 809 CA LEU 52 -13.185 20.972 -5.038 1.00 71.35 ATOM 810 HA LEU 52 -13.466 21.085 -4.001 1.00 22.14 ATOM 811 CB LEU 52 -14.446 20.648 -5.856 1.00 41.13 ATOM 812 HB1 LEU 52 -14.823 19.688 -5.531 1.00 38.60 ATOM 813 HB2 LEU 52 -14.161 20.566 -6.897 1.00 51.22 ATOM 814 CG LEU 52 -15.587 21.675 -5.749 1.00 3.24 ATOM 815 HG LEU 52 -15.223 22.639 -6.072 1.00 44.32 ATOM 816 CD1 LEU 52 -16.751 21.285 -6.661 1.00 13.21 ATOM 817 HD11 LEU 52 -17.527 22.033 -6.595 1.00 13.31 ATOM 818 HD12 LEU 52 -17.149 20.327 -6.355 1.00 5.01 ATOM 819 HD13 LEU 52 -16.404 21.219 -7.683 1.00 62.32 ATOM 820 CD2 LEU 52 -16.058 21.811 -4.302 1.00 0.33 ATOM 821 HD21 LEU 52 -16.437 20.860 -3.952 1.00 15.30 ATOM 822 HD22 LEU 52 -16.842 22.554 -4.244 1.00 33.21 ATOM 823 HD23 LEU 52 -15.230 22.118 -3.681 1.00 62.02 ATOM 824 C LEU 52 -12.188 19.802 -5.152 1.00 20.45 ATOM 825 O LEU 52 -12.248 18.845 -4.376 1.00 42.23 ATOM 826 N ALA 53 -11.283 19.878 -6.125 1.00 51.44 ATOM 827 HN ALA 53 -11.271 20.672 -6.703 1.00 38.60 ATOM 828 CA ALA 53 -10.298 18.810 -6.358 1.00 35.52 ATOM 829 HA ALA 53 -10.751 17.871 -6.070 1.00 74.53 ATOM 830 CB ALA 53 -9.961 18.732 -7.843 1.00 62.22 ATOM 831 HB1 ALA 53 -10.868 18.594 -8.411 1.00 12.52 ATOM 832 HB2 ALA 53 -9.294 17.899 -8.022 1.00 5.32 ATOM 833 HB3 ALA 53 -9.479 19.647 -8.154 1.00 45.33 ATOM 834 C ALA 53 -9.016 19.013 -5.535 1.00 43.34 ATOM 835 O ALA 53 -8.140 18.145 -5.499 1.00 74.33 ATOM 836 N ARG 54 -8.913 20.159 -4.866 1.00 2.32 ATOM 837 HN ARG 54 -9.677 20.773 -4.859 1.00 38.60 ATOM 838 CA ARG 54 -7.690 20.535 -4.146 1.00 42.31 ATOM 839 HA ARG 54 -6.891 19.893 -4.495 1.00 73.23 ATOM 840 CB ARG 54 -7.332 21.986 -4.496 1.00 1.50 ATOM 841 HB1 ARG 54 -6.420 22.263 -3.986 1.00 38.60 ATOM 842 HB2 ARG 54 -8.135 22.636 -4.171 1.00 74.13 ATOM 843 CG ARG 54 -7.128 22.178 -5.996 1.00 3.41 ATOM 844 HG1 ARG 54 -8.019 21.839 -6.511 1.00 38.60 ATOM 845 HG2 ARG 54 -6.287 21.579 -6.311 1.00 61.02 ATOM 846 CD ARG 54 -6.859 23.625 -6.381 1.00 42.52 ATOM 847 HD1 ARG 54 -5.892 23.917 -5.997 1.00 38.60 ATOM 848 HD2 ARG 54 -7.626 24.253 -5.948 1.00 42.44 ATOM 849 NE ARG 54 -6.868 23.793 -7.834 1.00 24.01 ATOM 850 HE ARG 54 -7.257 23.070 -8.365 1.00 5.41 ATOM 851 CZ ARG 54 -6.410 24.838 -8.468 1.00 63.54 ATOM 852 NH1 ARG 54 -5.852 25.815 -7.826 1.00 13.52 ATOM 853 HH11 ARG 54 -5.761 25.777 -6.835 1.00 30.02 ATOM 854 HH12 ARG 54 -5.526 26.615 -8.328 1.00 11.31 ATOM 855 NH2 ARG 54 -6.501 24.896 -9.757 1.00 54.12 ATOM 856 HH21 ARG 54 -6.924 24.145 -10.265 1.00 55.21 ATOM 857 HH22 ARG 54 -6.138 25.687 -10.247 1.00 42.14 ATOM 858 C ARG 54 -7.822 20.343 -2.625 1.00 1.14 ATOM 859 O ARG 54 -6.907 20.669 -1.869 1.00 42.00 ATOM 860 N TYR 55 -8.956 19.800 -2.187 1.00 63.41 ATOM 861 HN TYR 55 -9.676 19.627 -2.828 1.00 38.60 ATOM 862 CA TYR 55 -9.167 19.465 -0.771 1.00 72.42 ATOM 863 HA TYR 55 -8.193 19.343 -0.317 1.00 23.55 ATOM 864 CB TYR 55 -9.908 20.601 -0.045 1.00 24.23 ATOM 865 HB1 TYR 55 -10.301 20.226 0.891 1.00 38.60 ATOM 866 HB2 TYR 55 -10.731 20.937 -0.661 1.00 23.13 ATOM 867 CG TYR 55 -9.035 21.807 0.266 1.00 54.25 ATOM 868 CD1 TYR 55 -8.223 21.824 1.396 1.00 41.53 ATOM 869 HD1 TYR 55 -8.225 20.968 2.055 1.00 42.11 ATOM 870 CD2 TYR 55 -9.017 22.923 -0.569 1.00 12.13 ATOM 871 HD2 TYR 55 -9.641 22.931 -1.451 1.00 2.01 ATOM 872 CE1 TYR 55 -7.429 22.915 1.691 1.00 21.20 ATOM 873 HE1 TYR 55 -6.806 22.906 2.574 1.00 44.24 ATOM 874 CE2 TYR 55 -8.223 24.017 -0.280 1.00 13.12 ATOM 875 HE2 TYR 55 -8.223 24.871 -0.941 1.00 20.52 ATOM 876 CZ TYR 55 -7.429 24.006 0.848 1.00 2.11 ATOM 877 OH TYR 55 -6.637 25.095 1.141 1.00 31.41 ATOM 878 HH TYR 55 -7.143 25.903 1.000 1.00 22.02 ATOM 879 C TYR 55 -9.945 18.142 -0.620 1.00 3.33 ATOM 880 O TYR 55 -10.918 17.903 -1.339 1.00 11.11 ATOM 881 N PRO 56 -9.520 17.259 0.311 1.00 53.12 ATOM 882 CA PRO 56 -10.183 15.958 0.548 1.00 63.21 ATOM 883 HA PRO 56 -10.230 15.374 -0.363 1.00 70.23 ATOM 884 CB PRO 56 -9.258 15.249 1.558 1.00 64.22 ATOM 885 HB1 PRO 56 -9.099 14.224 1.250 1.00 38.60 ATOM 886 HB2 PRO 56 -9.710 15.262 2.541 1.00 44.54 ATOM 887 CG PRO 56 -7.980 16.026 1.535 1.00 1.04 ATOM 888 HG1 PRO 56 -7.321 15.627 0.778 1.00 38.60 ATOM 889 HG2 PRO 56 -7.505 15.984 2.506 1.00 25.54 ATOM 890 CD PRO 56 -8.362 17.441 1.200 1.00 15.42 ATOM 891 HD1 PRO 56 -7.553 17.942 0.687 1.00 38.60 ATOM 892 HD2 PRO 56 -8.640 17.983 2.094 1.00 10.43 ATOM 893 C PRO 56 -11.604 16.102 1.126 1.00 50.02 ATOM 894 O PRO 56 -11.780 16.398 2.310 1.00 23.01 ATOM 895 N LEU 57 -12.613 15.904 0.274 1.00 2.03 ATOM 896 HN LEU 57 -12.407 15.691 -0.660 1.00 38.60 ATOM 897 CA LEU 57 -14.020 16.000 0.689 1.00 1.32 ATOM 898 HA LEU 57 -14.053 15.998 1.768 1.00 74.23 ATOM 899 CB LEU 57 -14.645 17.308 0.174 1.00 73.45 ATOM 900 HB1 LEU 57 -15.699 17.293 0.412 1.00 38.60 ATOM 901 HB2 LEU 57 -14.543 17.329 -0.905 1.00 42.12 ATOM 902 CG LEU 57 -14.048 18.607 0.734 1.00 52.45 ATOM 903 HG LEU 57 -12.990 18.633 0.512 1.00 3.22 ATOM 904 CD1 LEU 57 -14.695 19.821 0.071 1.00 52.12 ATOM 905 HD11 LEU 57 -15.761 19.810 0.252 1.00 44.23 ATOM 906 HD12 LEU 57 -14.510 19.790 -0.994 1.00 2.11 ATOM 907 HD13 LEU 57 -14.270 20.725 0.482 1.00 64.33 ATOM 908 CD2 LEU 57 -14.215 18.671 2.253 1.00 50.54 ATOM 909 HD21 LEU 57 -13.684 17.848 2.709 1.00 5.15 ATOM 910 HD22 LEU 57 -15.264 18.608 2.506 1.00 61.30 ATOM 911 HD23 LEU 57 -13.812 19.604 2.620 1.00 53.14 ATOM 912 C LEU 57 -14.841 14.811 0.170 1.00 33.42 ATOM 913 O LEU 57 -14.589 14.292 -0.919 1.00 14.44 ATOM 914 N THR 58 -15.820 14.379 0.956 1.00 11.24 ATOM 915 HN THR 58 -15.907 14.757 1.854 1.00 38.60 ATOM 916 CA THR 58 -16.767 13.344 0.522 1.00 31.32 ATOM 917 HA THR 58 -16.227 12.607 -0.058 1.00 54.12 ATOM 918 CB THR 58 -17.424 12.633 1.730 1.00 0.21 ATOM 919 HB THR 58 -18.060 11.838 1.360 1.00 11.41 ATOM 920 OG1 THR 58 -18.226 13.561 2.475 1.00 35.32 ATOM 921 HG1 THR 58 -17.887 13.621 3.376 1.00 72.21 ATOM 922 CG2 THR 58 -16.370 12.026 2.650 1.00 61.14 ATOM 923 HG21 THR 58 -15.782 11.304 2.102 1.00 43.10 ATOM 924 HG22 THR 58 -16.857 11.536 3.481 1.00 44.55 ATOM 925 HG23 THR 58 -15.722 12.807 3.024 1.00 3.34 ATOM 926 C THR 58 -17.873 13.954 -0.347 1.00 40.13 ATOM 927 O THR 58 -18.152 15.151 -0.258 1.00 53.44 ATOM 928 N GLU 59 -18.518 13.132 -1.171 1.00 63.04 ATOM 929 HN GLU 59 -18.289 12.177 -1.165 1.00 38.60 ATOM 930 CA GLU 59 -19.565 13.609 -2.088 1.00 14.13 ATOM 931 HA GLU 59 -19.087 14.237 -2.828 1.00 50.21 ATOM 932 CB GLU 59 -20.216 12.421 -2.803 1.00 3.44 ATOM 933 HB1 GLU 59 -21.001 12.789 -3.451 1.00 38.60 ATOM 934 HB2 GLU 59 -20.653 11.767 -2.062 1.00 3.42 ATOM 935 CG GLU 59 -19.244 11.605 -3.647 1.00 72.42 ATOM 936 HG1 GLU 59 -18.473 11.204 -3.002 1.00 38.60 ATOM 937 HG2 GLU 59 -18.791 12.255 -4.382 1.00 51.14 ATOM 938 CD GLU 59 -19.923 10.455 -4.371 1.00 65.54 ATOM 939 OE1 GLU 59 -19.878 9.314 -3.867 1.00 4.23 ATOM 940 OE2 GLU 59 -20.508 10.690 -5.450 1.00 43.52 ATOM 941 C GLU 59 -20.638 14.443 -1.361 1.00 64.41 ATOM 942 O GLU 59 -21.151 15.425 -1.906 1.00 64.02 ATOM 943 N SER 60 -20.970 14.046 -0.133 1.00 74.03 ATOM 944 HN SER 60 -20.561 13.228 0.226 1.00 38.60 ATOM 945 CA SER 60 -21.931 14.792 0.696 1.00 22.32 ATOM 946 HA SER 60 -22.855 14.880 0.137 1.00 3.21 ATOM 947 CB SER 60 -22.208 14.039 2.005 1.00 62.50 ATOM 948 HB1 SER 60 -22.949 14.577 2.581 1.00 38.60 ATOM 949 HB2 SER 60 -21.294 13.963 2.576 1.00 53.34 ATOM 950 OG SER 60 -22.691 12.727 1.752 1.00 44.23 ATOM 951 HG SER 60 -21.946 12.109 1.749 1.00 22.24 ATOM 952 C SER 60 -21.409 16.198 1.014 1.00 70.05 ATOM 953 O SER 60 -22.173 17.164 1.064 1.00 54.24 ATOM 954 N GLN 61 -20.095 16.304 1.220 1.00 22.11 ATOM 955 HN GLN 61 -19.539 15.495 1.172 1.00 38.60 ATOM 956 CA GLN 61 -19.457 17.592 1.509 1.00 53.41 ATOM 957 HA GLN 61 -20.062 18.091 2.252 1.00 20.41 ATOM 958 CB GLN 61 -18.050 17.373 2.092 1.00 14.24 ATOM 959 HB1 GLN 61 -17.598 18.336 2.286 1.00 38.60 ATOM 960 HB2 GLN 61 -17.447 16.842 1.368 1.00 74.54 ATOM 961 CG GLN 61 -18.056 16.577 3.395 1.00 13.45 ATOM 962 HG1 GLN 61 -18.537 15.625 3.216 1.00 38.60 ATOM 963 HG2 GLN 61 -18.623 17.127 4.133 1.00 62.21 ATOM 964 CD GLN 61 -16.666 16.320 3.950 1.00 64.20 ATOM 965 OE1 GLN 61 -16.022 15.334 3.613 1.00 75.13 ATOM 966 NE2 GLN 61 -16.200 17.188 4.820 1.00 71.04 ATOM 967 HE21 GLN 61 -16.764 17.946 5.070 1.00 21.22 ATOM 968 HE22 GLN 61 -15.307 17.034 5.188 1.00 72.43 ATOM 969 C GLN 61 -19.400 18.486 0.256 1.00 22.05 ATOM 970 O GLN 61 -19.686 19.680 0.334 1.00 4.44 ATOM 971 N LEU 62 -19.046 17.912 -0.902 1.00 34.21 ATOM 972 HN LEU 62 -18.770 16.969 -0.909 1.00 38.60 ATOM 973 CA LEU 62 -19.055 18.678 -2.163 1.00 53.21 ATOM 974 HA LEU 62 -18.394 19.524 -2.026 1.00 63.13 ATOM 975 CB LEU 62 -18.544 17.846 -3.354 1.00 11.45 ATOM 976 HB1 LEU 62 -18.819 18.363 -4.264 1.00 38.60 ATOM 977 HB2 LEU 62 -19.052 16.892 -3.341 1.00 3.14 ATOM 978 CG LEU 62 -17.023 17.589 -3.394 1.00 24.20 ATOM 979 HG LEU 62 -16.509 18.470 -3.034 1.00 4.33 ATOM 980 CD1 LEU 62 -16.629 16.433 -2.487 1.00 62.42 ATOM 981 HD11 LEU 62 -17.097 15.522 -2.832 1.00 74.42 ATOM 982 HD12 LEU 62 -16.949 16.641 -1.476 1.00 54.21 ATOM 983 HD13 LEU 62 -15.555 16.315 -2.504 1.00 64.43 ATOM 984 CD2 LEU 62 -16.557 17.334 -4.825 1.00 61.12 ATOM 985 HD21 LEU 62 -15.490 17.161 -4.831 1.00 51.21 ATOM 986 HD22 LEU 62 -16.782 18.196 -5.436 1.00 3.30 ATOM 987 HD23 LEU 62 -17.064 16.467 -5.225 1.00 34.23 ATOM 988 C LEU 62 -20.460 19.214 -2.484 1.00 50.24 ATOM 989 O LEU 62 -20.618 20.378 -2.856 1.00 5.41 ATOM 990 N ALA 63 -21.476 18.360 -2.339 1.00 53.12 ATOM 991 HN ALA 63 -21.285 17.431 -2.082 1.00 38.60 ATOM 992 CA ALA 63 -22.871 18.767 -2.562 1.00 4.31 ATOM 993 HA ALA 63 -22.983 19.012 -3.610 1.00 61.32 ATOM 994 CB ALA 63 -23.811 17.611 -2.240 1.00 3.40 ATOM 995 HB1 ALA 63 -24.832 17.912 -2.428 1.00 10.24 ATOM 996 HB2 ALA 63 -23.704 17.336 -1.200 1.00 42.30 ATOM 997 HB3 ALA 63 -23.566 16.762 -2.862 1.00 33.51 ATOM 998 C ALA 63 -23.231 20.002 -1.719 1.00 33.51 ATOM 999 O ALA 63 -23.962 20.892 -2.167 1.00 52.45 ATOM 1000 N LEU 64 -22.704 20.043 -0.499 1.00 35.00 ATOM 1001 HN LEU 64 -22.181 19.274 -0.183 1.00 38.60 ATOM 1002 CA LEU 64 -22.884 21.191 0.393 1.00 54.30 ATOM 1003 HA LEU 64 -23.942 21.403 0.454 1.00 65.43 ATOM 1004 CB LEU 64 -22.361 20.848 1.791 1.00 21.33 ATOM 1005 HB1 LEU 64 -21.314 20.589 1.704 1.00 38.60 ATOM 1006 HB2 LEU 64 -22.897 19.979 2.147 1.00 44.44 ATOM 1007 CG LEU 64 -22.495 21.965 2.837 1.00 61.14 ATOM 1008 HG LEU 64 -22.057 22.870 2.438 1.00 51.43 ATOM 1009 CD1 LEU 64 -23.963 22.255 3.141 1.00 52.23 ATOM 1010 HD11 LEU 64 -24.439 21.361 3.517 1.00 13.12 ATOM 1011 HD12 LEU 64 -24.464 22.575 2.239 1.00 15.15 ATOM 1012 HD13 LEU 64 -24.030 23.038 3.883 1.00 35.43 ATOM 1013 CD2 LEU 64 -21.734 21.598 4.107 1.00 33.14 ATOM 1014 HD21 LEU 64 -20.703 21.391 3.860 1.00 24.32 ATOM 1015 HD22 LEU 64 -22.179 20.722 4.555 1.00 75.03 ATOM 1016 HD23 LEU 64 -21.777 22.420 4.805 1.00 71.14 ATOM 1017 C LEU 64 -22.152 22.435 -0.144 1.00 23.14 ATOM 1018 O LEU 64 -22.750 23.499 -0.309 1.00 51.11 ATOM 1019 N VAL 65 -20.857 22.283 -0.419 1.00 74.14 ATOM 1020 HN VAL 65 -20.443 21.407 -0.270 1.00 38.60 ATOM 1021 CA VAL 65 -20.025 23.380 -0.933 1.00 31.44 ATOM 1022 HA VAL 65 -19.969 24.140 -0.165 1.00 72.22 ATOM 1023 CB VAL 65 -18.587 22.878 -1.224 1.00 13.44 ATOM 1024 HB VAL 65 -18.649 22.088 -1.960 1.00 33.52 ATOM 1025 CG1 VAL 65 -17.717 23.990 -1.795 1.00 73.33 ATOM 1026 HG11 VAL 65 -17.659 24.804 -1.088 1.00 33.24 ATOM 1027 HG12 VAL 65 -18.148 24.347 -2.720 1.00 3.35 ATOM 1028 HG13 VAL 65 -16.724 23.609 -1.986 1.00 11.24 ATOM 1029 CG2 VAL 65 -17.953 22.296 0.041 1.00 72.12 ATOM 1030 HG21 VAL 65 -16.952 21.952 -0.181 1.00 25.41 ATOM 1031 HG22 VAL 65 -18.547 21.466 0.395 1.00 52.24 ATOM 1032 HG23 VAL 65 -17.908 23.058 0.809 1.00 62.21 ATOM 1033 C VAL 65 -20.627 24.008 -2.206 1.00 72.13 ATOM 1034 O VAL 65 -20.608 25.230 -2.384 1.00 2.54 ATOM 1035 N ARG 66 -21.167 23.165 -3.084 1.00 42.11 ATOM 1036 HN ARG 66 -21.114 22.202 -2.907 1.00 38.60 ATOM 1037 CA ARG 66 -21.826 23.633 -4.310 1.00 2.41 ATOM 1038 HA ARG 66 -21.133 24.283 -4.826 1.00 11.04 ATOM 1039 CB ARG 66 -22.151 22.438 -5.218 1.00 13.23 ATOM 1040 HB1 ARG 66 -22.669 22.796 -6.095 1.00 38.60 ATOM 1041 HB2 ARG 66 -22.796 21.753 -4.682 1.00 62.21 ATOM 1042 CG ARG 66 -20.911 21.671 -5.674 1.00 34.34 ATOM 1043 HG1 ARG 66 -20.318 21.418 -4.804 1.00 38.60 ATOM 1044 HG2 ARG 66 -20.330 22.303 -6.330 1.00 31.00 ATOM 1045 CD ARG 66 -21.268 20.389 -6.418 1.00 71.45 ATOM 1046 HD1 ARG 66 -21.865 19.766 -5.764 1.00 38.60 ATOM 1047 HD2 ARG 66 -20.355 19.869 -6.668 1.00 11.31 ATOM 1048 NE ARG 66 -22.018 20.643 -7.646 1.00 50.51 ATOM 1049 HE ARG 66 -22.353 21.550 -7.798 1.00 4.43 ATOM 1050 CZ ARG 66 -22.271 19.732 -8.548 1.00 22.54 ATOM 1051 NH1 ARG 66 -21.835 18.520 -8.404 1.00 74.51 ATOM 1052 HH11 ARG 66 -21.299 18.270 -7.599 1.00 12.55 ATOM 1053 HH12 ARG 66 -22.033 17.837 -9.100 1.00 3.52 ATOM 1054 NH2 ARG 66 -22.956 20.040 -9.598 1.00 71.21 ATOM 1055 HH21 ARG 66 -23.291 20.973 -9.718 1.00 4.21 ATOM 1056 HH22 ARG 66 -23.152 19.344 -10.285 1.00 42.23 ATOM 1057 C ARG 66 -23.099 24.436 -3.991 1.00 65.04 ATOM 1058 O ARG 66 -23.424 25.406 -4.681 1.00 31.32 ATOM 1059 N ASP 67 -23.809 24.034 -2.937 1.00 65.45 ATOM 1060 HN ASP 67 -23.528 23.229 -2.452 1.00 38.60 ATOM 1061 CA ASP 67 -24.991 24.768 -2.475 1.00 52.31 ATOM 1062 HA ASP 67 -25.664 24.882 -3.314 1.00 14.01 ATOM 1063 CB ASP 67 -25.699 23.980 -1.366 1.00 64.23 ATOM 1064 HB1 ASP 67 -25.064 23.954 -0.490 1.00 38.60 ATOM 1065 HB2 ASP 67 -25.868 22.967 -1.706 1.00 20.41 ATOM 1066 CG ASP 67 -27.036 24.591 -0.979 1.00 1.33 ATOM 1067 OD1 ASP 67 -28.063 24.198 -1.569 1.00 73.53 ATOM 1068 OD2 ASP 67 -27.071 25.470 -0.087 1.00 11.22 ATOM 1069 C ASP 67 -24.588 26.161 -1.965 1.00 35.30 ATOM 1070 O ASP 67 -25.178 27.170 -2.349 1.00 14.04 ATOM 1071 N ILE 68 -23.562 26.195 -1.111 1.00 1.40 ATOM 1072 HN ILE 68 -23.168 25.347 -0.816 1.00 38.60 ATOM 1073 CA ILE 68 -23.007 27.452 -0.589 1.00 1.31 ATOM 1074 HA ILE 68 -23.729 27.881 0.092 1.00 20.32 ATOM 1075 CB ILE 68 -21.689 27.190 0.191 1.00 24.03 ATOM 1076 HB ILE 68 -20.983 26.742 -0.493 1.00 61.45 ATOM 1077 CG1 ILE 68 -21.934 26.216 1.359 1.00 73.02 ATOM 1078 HG11 ILE 68 -22.344 25.295 0.972 1.00 38.60 ATOM 1079 HG12 ILE 68 -22.644 26.657 2.044 1.00 65.54 ATOM 1080 CG2 ILE 68 -21.082 28.501 0.694 1.00 73.42 ATOM 1081 HG21 ILE 68 -20.888 29.156 -0.144 1.00 22.24 ATOM 1082 HG22 ILE 68 -20.154 28.295 1.209 1.00 54.31 ATOM 1083 HG23 ILE 68 -21.770 28.982 1.375 1.00 11.33 ATOM 1084 CD1 ILE 68 -20.686 25.870 2.152 1.00 21.12 ATOM 1085 HD11 ILE 68 -20.285 26.765 2.605 1.00 73.40 ATOM 1086 HD12 ILE 68 -19.946 25.437 1.491 1.00 20.25 ATOM 1087 HD13 ILE 68 -20.938 25.158 2.925 1.00 45.12 ATOM 1088 C ILE 68 -22.723 28.453 -1.723 1.00 43.32 ATOM 1089 O ILE 68 -23.145 29.613 -1.668 1.00 60.33 ATOM 1090 N ARG 69 -22.007 27.993 -2.750 1.00 63.40 ATOM 1091 HN ARG 69 -21.668 27.070 -2.716 1.00 38.60 ATOM 1092 CA ARG 69 -21.701 28.824 -3.920 1.00 34.40 ATOM 1093 HA ARG 69 -21.137 29.678 -3.574 1.00 4.24 ATOM 1094 CB ARG 69 -20.836 28.029 -4.917 1.00 51.50 ATOM 1095 HB1 ARG 69 -21.367 27.128 -5.193 1.00 38.60 ATOM 1096 HB2 ARG 69 -19.916 27.748 -4.423 1.00 2.25 ATOM 1097 CG ARG 69 -20.475 28.792 -6.198 1.00 75.43 ATOM 1098 HG1 ARG 69 -19.420 28.665 -6.397 1.00 38.60 ATOM 1099 HG2 ARG 69 -20.685 29.842 -6.053 1.00 4.44 ATOM 1100 CD ARG 69 -21.272 28.296 -7.407 1.00 0.13 ATOM 1101 HD1 ARG 69 -20.993 28.885 -8.270 1.00 38.60 ATOM 1102 HD2 ARG 69 -22.325 28.434 -7.206 1.00 3.21 ATOM 1103 NE ARG 69 -21.022 26.878 -7.695 1.00 65.43 ATOM 1104 HE ARG 69 -20.258 26.459 -7.259 1.00 14.14 ATOM 1105 CZ ARG 69 -21.757 26.148 -8.498 1.00 25.21 ATOM 1106 NH1 ARG 69 -22.778 26.658 -9.105 1.00 20.10 ATOM 1107 HH11 ARG 69 -23.018 27.617 -8.964 1.00 34.42 ATOM 1108 HH12 ARG 69 -23.322 26.092 -9.721 1.00 53.52 ATOM 1109 NH2 ARG 69 -21.462 24.904 -8.707 1.00 41.02 ATOM 1110 HH21 ARG 69 -20.676 24.488 -8.256 1.00 41.15 ATOM 1111 HH22 ARG 69 -22.023 24.359 -9.331 1.00 2.22 ATOM 1112 C ARG 69 -22.989 29.330 -4.598 1.00 45.13 ATOM 1113 O ARG 69 -23.088 30.498 -4.968 1.00 55.15 ATOM 1114 N ARG 70 -23.975 28.444 -4.749 1.00 33.44 ATOM 1115 HN ARG 70 -23.833 27.518 -4.456 1.00 38.60 ATOM 1116 CA ARG 70 -25.270 28.812 -5.341 1.00 23.23 ATOM 1117 HA ARG 70 -25.090 29.125 -6.359 1.00 41.05 ATOM 1118 CB ARG 70 -26.206 27.589 -5.361 1.00 41.13 ATOM 1119 HB1 ARG 70 -26.226 27.148 -4.372 1.00 38.60 ATOM 1120 HB2 ARG 70 -25.809 26.863 -6.056 1.00 14.13 ATOM 1121 CG ARG 70 -27.647 27.899 -5.775 1.00 20.15 ATOM 1122 HG1 ARG 70 -28.052 28.639 -5.096 1.00 38.60 ATOM 1123 HG2 ARG 70 -28.232 26.994 -5.704 1.00 72.33 ATOM 1124 CD ARG 70 -27.739 28.436 -7.204 1.00 5.02 ATOM 1125 HD1 ARG 70 -27.087 29.296 -7.296 1.00 38.60 ATOM 1126 HD2 ARG 70 -28.758 28.739 -7.395 1.00 44.33 ATOM 1127 NE ARG 70 -27.353 27.435 -8.198 1.00 65.12 ATOM 1128 HE ARG 70 -27.283 26.504 -7.902 1.00 14.34 ATOM 1129 CZ ARG 70 -27.116 27.697 -9.454 1.00 4.04 ATOM 1130 NH1 ARG 70 -27.213 28.906 -9.907 1.00 65.34 ATOM 1131 HH11 ARG 70 -27.476 29.643 -9.297 1.00 63.21 ATOM 1132 HH12 ARG 70 -27.027 29.094 -10.867 1.00 43.02 ATOM 1133 NH2 ARG 70 -26.794 26.739 -10.258 1.00 44.14 ATOM 1134 HH21 ARG 70 -26.731 25.803 -9.915 1.00 54.23 ATOM 1135 HH22 ARG 70 -26.621 26.931 -11.221 1.00 43.13 ATOM 1136 C ARG 70 -25.942 29.973 -4.583 1.00 25.32 ATOM 1137 O ARG 70 -26.584 30.832 -5.190 1.00 20.05 ATOM 1138 N ARG 71 -25.788 29.997 -3.260 1.00 13.13 ATOM 1139 HN ARG 71 -25.222 29.318 -2.834 1.00 38.60 ATOM 1140 CA ARG 71 -26.438 31.018 -2.429 1.00 65.50 ATOM 1141 HA ARG 71 -27.420 31.209 -2.841 1.00 20.21 ATOM 1142 CB ARG 71 -26.592 30.514 -0.986 1.00 62.42 ATOM 1143 HB1 ARG 71 -27.309 31.141 -0.474 1.00 38.60 ATOM 1144 HB2 ARG 71 -25.638 30.597 -0.485 1.00 22.34 ATOM 1145 CG ARG 71 -27.058 29.067 -0.869 1.00 4.31 ATOM 1146 HG1 ARG 71 -27.103 28.804 0.178 1.00 38.60 ATOM 1147 HG2 ARG 71 -26.339 28.432 -1.363 1.00 34.03 ATOM 1148 CD ARG 71 -28.427 28.830 -1.495 1.00 60.13 ATOM 1149 HD1 ARG 71 -28.390 29.112 -2.539 1.00 38.60 ATOM 1150 HD2 ARG 71 -29.159 29.441 -0.983 1.00 33.35 ATOM 1151 NE ARG 71 -28.821 27.425 -1.395 1.00 24.42 ATOM 1152 HE ARG 71 -28.108 26.768 -1.249 1.00 4.51 ATOM 1153 CZ ARG 71 -30.049 26.992 -1.475 1.00 61.31 ATOM 1154 NH1 ARG 71 -31.027 27.806 -1.721 1.00 51.44 ATOM 1155 HH11 ARG 71 -30.843 28.778 -1.859 1.00 42.25 ATOM 1156 HH12 ARG 71 -31.959 27.462 -1.773 1.00 44.33 ATOM 1157 NH2 ARG 71 -30.289 25.733 -1.336 1.00 73.03 ATOM 1158 HH21 ARG 71 -29.534 25.099 -1.171 1.00 42.11 ATOM 1159 HH22 ARG 71 -31.223 25.390 -1.396 1.00 60.20 ATOM 1160 C ARG 71 -25.638 32.332 -2.419 1.00 55.44 ATOM 1161 O ARG 71 -26.115 33.374 -2.873 1.00 33.12 ATOM 1162 N GLY 72 -24.412 32.267 -1.898 1.00 65.13 ATOM 1163 HN GLY 72 -24.052 31.392 -1.635 1.00 38.60 ATOM 1164 CA GLY 72 -23.598 33.467 -1.712 1.00 13.10 ATOM 1165 HA1 GLY 72 -22.667 33.178 -1.244 1.00 38.60 ATOM 1166 HA2 GLY 72 -24.120 34.136 -1.045 1.00 0.41 ATOM 1167 C GLY 72 -23.281 34.220 -3.004 1.00 24.32 ATOM 1168 O GLY 72 -23.238 35.454 -3.016 1.00 65.10 ATOM 1169 N LYS 73 -23.068 33.487 -4.096 1.00 44.35 ATOM 1170 HN LYS 73 -23.177 32.512 -4.047 1.00 38.60 ATOM 1171 CA LYS 73 -22.674 34.098 -5.375 1.00 11.21 ATOM 1172 HA LYS 73 -21.752 34.636 -5.206 1.00 72.32 ATOM 1173 CB LYS 73 -22.421 33.010 -6.432 1.00 43.12 ATOM 1174 HB1 LYS 73 -23.370 32.575 -6.716 1.00 38.60 ATOM 1175 HB2 LYS 73 -21.803 32.237 -5.995 1.00 34.35 ATOM 1176 CG LYS 73 -21.731 33.514 -7.697 1.00 22.14 ATOM 1177 HG1 LYS 73 -22.346 34.277 -8.155 1.00 38.60 ATOM 1178 HG2 LYS 73 -21.610 32.687 -8.384 1.00 20.22 ATOM 1179 CD LYS 73 -20.356 34.103 -7.387 1.00 34.52 ATOM 1180 HD1 LYS 73 -19.762 33.352 -6.883 1.00 38.60 ATOM 1181 HD2 LYS 73 -20.479 34.958 -6.737 1.00 50.22 ATOM 1182 CE LYS 73 -19.624 34.548 -8.646 1.00 44.55 ATOM 1183 HE1 LYS 73 -19.472 33.688 -9.283 1.00 38.60 ATOM 1184 HE2 LYS 73 -18.664 34.956 -8.361 1.00 12.33 ATOM 1185 NZ LYS 73 -20.378 35.586 -9.400 1.00 33.01 ATOM 1186 HZ1 LYS 73 -19.866 35.840 -10.269 1.00 4.23 ATOM 1187 HZ2 LYS 73 -20.490 36.442 -8.821 1.00 24.44 ATOM 1188 HZ3 LYS 73 -21.322 35.233 -9.661 1.00 70.33 ATOM 1189 C LYS 73 -23.728 35.098 -5.884 1.00 12.33 ATOM 1190 O LYS 73 -23.427 35.960 -6.710 1.00 44.31 ATOM 1191 N ASN 74 -24.957 34.984 -5.375 1.00 70.12 ATOM 1192 HN ASN 74 -25.136 34.267 -4.729 1.00 38.60 ATOM 1193 CA ASN 74 -26.048 35.894 -5.747 1.00 32.12 ATOM 1194 HA ASN 74 -26.240 35.762 -6.803 1.00 73.41 ATOM 1195 CB ASN 74 -27.318 35.535 -4.962 1.00 52.34 ATOM 1196 HB1 ASN 74 -27.140 35.703 -3.907 1.00 38.60 ATOM 1197 HB2 ASN 74 -27.545 34.491 -5.118 1.00 73.41 ATOM 1198 CG ASN 74 -28.524 36.356 -5.383 1.00 43.44 ATOM 1199 OD1 ASN 74 -28.812 37.408 -4.818 1.00 1.20 ATOM 1200 ND2 ASN 74 -29.240 35.888 -6.385 1.00 43.31 ATOM 1201 HD21 ASN 74 -28.961 35.049 -6.802 1.00 61.24 ATOM 1202 HD22 ASN 74 -30.026 36.402 -6.670 1.00 60.40 ATOM 1203 C ASN 74 -25.664 37.365 -5.497 1.00 21.14 ATOM 1204 O ASN 74 -26.003 38.252 -6.286 1.00 1.10 ATOM 1205 N LYS 75 -24.951 37.617 -4.399 1.00 50.31 ATOM 1206 HN LYS 75 -24.743 36.878 -3.786 1.00 38.60 ATOM 1207 CA LYS 75 -24.466 38.967 -4.082 1.00 25.24 ATOM 1208 HA LYS 75 -25.309 39.642 -4.132 1.00 14.13 ATOM 1209 CB LYS 75 -23.880 39.004 -2.661 1.00 74.34 ATOM 1210 HB1 LYS 75 -23.085 38.274 -2.591 1.00 38.60 ATOM 1211 HB2 LYS 75 -24.658 38.742 -1.958 1.00 62.25 ATOM 1212 CG LYS 75 -23.314 40.368 -2.262 1.00 14.20 ATOM 1213 HG1 LYS 75 -24.092 41.112 -2.370 1.00 38.60 ATOM 1214 HG2 LYS 75 -22.492 40.611 -2.922 1.00 44.13 ATOM 1215 CD LYS 75 -22.808 40.387 -0.818 1.00 22.34 ATOM 1216 HD1 LYS 75 -22.332 41.340 -0.630 1.00 38.60 ATOM 1217 HD2 LYS 75 -22.082 39.595 -0.689 1.00 61.51 ATOM 1218 CE LYS 75 -23.939 40.190 0.191 1.00 24.24 ATOM 1219 HE1 LYS 75 -23.526 40.222 1.190 1.00 38.60 ATOM 1220 HE2 LYS 75 -24.393 39.224 0.023 1.00 24.20 ATOM 1221 NZ LYS 75 -24.987 41.242 0.068 1.00 1.04 ATOM 1222 HZ1 LYS 75 -25.693 41.136 0.823 1.00 24.51 ATOM 1223 HZ2 LYS 75 -25.471 41.163 -0.849 1.00 70.14 ATOM 1224 HZ3 LYS 75 -24.561 42.187 0.138 1.00 4.30 ATOM 1225 C LYS 75 -23.407 39.421 -5.101 1.00 25.43 ATOM 1226 O LYS 75 -23.394 40.573 -5.537 1.00 44.23 ATOM 1227 N VAL 76 -22.536 38.495 -5.493 1.00 13.44 ATOM 1228 HN VAL 76 -22.617 37.590 -5.130 1.00 38.60 ATOM 1229 CA VAL 76 -21.461 38.783 -6.454 1.00 75.02 ATOM 1230 HA VAL 76 -21.209 39.832 -6.372 1.00 4.13 ATOM 1231 CB VAL 76 -20.194 37.945 -6.115 1.00 41.11 ATOM 1232 HB VAL 76 -20.388 36.916 -6.385 1.00 63.24 ATOM 1233 CG1 VAL 76 -18.978 38.419 -6.913 1.00 1.20 ATOM 1234 HG11 VAL 76 -19.174 38.312 -7.969 1.00 22.14 ATOM 1235 HG12 VAL 76 -18.117 37.824 -6.647 1.00 21.22 ATOM 1236 HG13 VAL 76 -18.780 39.457 -6.688 1.00 14.32 ATOM 1237 CG2 VAL 76 -19.902 37.990 -4.615 1.00 4.24 ATOM 1238 HG21 VAL 76 -19.707 39.010 -4.313 1.00 4.32 ATOM 1239 HG22 VAL 76 -19.038 37.380 -4.396 1.00 60.23 ATOM 1240 HG23 VAL 76 -20.756 37.612 -4.069 1.00 33.30 ATOM 1241 C VAL 76 -21.921 38.494 -7.902 1.00 44.40 ATOM 1242 O VAL 76 -21.135 38.089 -8.763 1.00 75.02 ATOM 1243 N ALA 77 -23.205 38.715 -8.168 1.00 51.11 ATOM 1244 HN ALA 77 -23.794 39.007 -7.443 1.00 38.60 ATOM 1245 CA ALA 77 -23.767 38.511 -9.509 1.00 51.25 ATOM 1246 HA ALA 77 -22.998 38.070 -10.131 1.00 24.32 ATOM 1247 CB ALA 77 -24.934 37.531 -9.446 1.00 74.11 ATOM 1248 HB1 ALA 77 -25.289 37.330 -10.445 1.00 10.52 ATOM 1249 HB2 ALA 77 -25.735 37.956 -8.858 1.00 75.20 ATOM 1250 HB3 ALA 77 -24.604 36.609 -8.989 1.00 44.14 ATOM 1251 C ALA 77 -24.219 39.832 -10.154 1.00 74.41 ATOM 1252 O ALA 77 -24.331 39.923 -11.375 1.00 15.45 ATOM 1253 N ALA 78 -24.453 40.856 -9.330 1.00 21.10 ATOM 1254 HN ALA 78 -24.248 40.755 -8.378 1.00 38.60 ATOM 1255 CA ALA 78 -24.998 42.139 -9.808 1.00 30.02 ATOM 1256 HA ALA 78 -25.995 41.947 -10.185 1.00 33.21 ATOM 1257 CB ALA 78 -25.122 43.121 -8.648 1.00 31.21 ATOM 1258 HB1 ALA 78 -24.139 43.349 -8.263 1.00 24.22 ATOM 1259 HB2 ALA 78 -25.723 42.683 -7.863 1.00 60.22 ATOM 1260 HB3 ALA 78 -25.594 44.031 -8.994 1.00 42.04 ATOM 1261 C ALA 78 -24.158 42.761 -10.940 1.00 54.21 ATOM 1262 O ALA 78 -24.704 43.271 -11.922 1.00 63.22 ATOM 1263 N GLN 79 -22.834 42.716 -10.800 1.00 12.03 ATOM 1264 HN GLN 79 -22.454 42.270 -10.012 1.00 38.60 ATOM 1265 CA GLN 79 -21.925 43.319 -11.787 1.00 63.12 ATOM 1266 HA GLN 79 -22.309 44.300 -12.031 1.00 50.54 ATOM 1267 CB GLN 79 -20.522 43.474 -11.185 1.00 3.54 ATOM 1268 HB1 GLN 79 -19.858 43.867 -11.943 1.00 38.60 ATOM 1269 HB2 GLN 79 -20.165 42.499 -10.883 1.00 63.11 ATOM 1270 CG GLN 79 -20.461 44.397 -9.971 1.00 60.15 ATOM 1271 HG1 GLN 79 -19.444 44.418 -9.603 1.00 38.60 ATOM 1272 HG2 GLN 79 -21.110 44.002 -9.203 1.00 71.04 ATOM 1273 CD GLN 79 -20.892 45.821 -10.283 1.00 72.34 ATOM 1274 OE1 GLN 79 -20.739 46.305 -11.402 1.00 64.42 ATOM 1275 NE2 GLN 79 -21.420 46.508 -9.293 1.00 31.41 ATOM 1276 HE21 GLN 79 -21.507 46.073 -8.419 1.00 31.24 ATOM 1277 HE22 GLN 79 -21.701 47.425 -9.473 1.00 25.43 ATOM 1278 C GLN 79 -21.834 42.493 -13.084 1.00 51.01 ATOM 1279 O GLN 79 -21.413 42.998 -14.123 1.00 40.12 ATOM 1280 N ASN 80 -22.231 41.225 -13.016 1.00 53.53 ATOM 1281 HN ASN 80 -22.621 40.895 -12.179 1.00 38.60 ATOM 1282 CA ASN 80 -22.119 40.310 -14.163 1.00 71.32 ATOM 1283 HA ASN 80 -21.801 40.891 -15.018 1.00 21.51 ATOM 1284 CB ASN 80 -21.053 39.242 -13.871 1.00 11.40 ATOM 1285 HB1 ASN 80 -20.076 39.708 -13.876 1.00 38.60 ATOM 1286 HB2 ASN 80 -21.088 38.487 -14.643 1.00 65.43 ATOM 1287 CG ASN 80 -21.250 38.560 -12.528 1.00 53.42 ATOM 1288 OD1 ASN 80 -21.901 37.528 -12.425 1.00 14.33 ATOM 1289 ND2 ASN 80 -20.692 39.140 -11.482 1.00 35.30 ATOM 1290 HD21 ASN 80 -20.192 39.967 -11.624 1.00 40.41 ATOM 1291 HD22 ASN 80 -20.799 38.711 -10.608 1.00 61.13 ATOM 1292 C ASN 80 -23.469 39.656 -14.506 1.00 34.05 ATOM 1293 O ASN 80 -23.521 38.603 -15.142 1.00 60.44 ATOM 1294 N TYR 81 -24.557 40.308 -14.103 1.00 72.14 ATOM 1295 HN TYR 81 -24.446 41.146 -13.611 1.00 38.60 ATOM 1296 CA TYR 81 -25.915 39.809 -14.363 1.00 44.21 ATOM 1297 HA TYR 81 -25.895 38.730 -14.286 1.00 63.44 ATOM 1298 CB TYR 81 -26.872 40.373 -13.294 1.00 61.34 ATOM 1299 HB1 TYR 81 -27.146 41.384 -13.568 1.00 38.60 ATOM 1300 HB2 TYR 81 -26.360 40.397 -12.343 1.00 61.25 ATOM 1301 CG TYR 81 -28.152 39.574 -13.105 1.00 74.32 ATOM 1302 CD1 TYR 81 -28.119 38.186 -13.015 1.00 64.24 ATOM 1303 HD1 TYR 81 -27.169 37.675 -13.098 1.00 33.35 ATOM 1304 CD2 TYR 81 -29.389 40.207 -12.997 1.00 31.50 ATOM 1305 HD2 TYR 81 -29.436 41.284 -13.067 1.00 31.33 ATOM 1306 CE1 TYR 81 -29.275 37.455 -12.825 1.00 40.15 ATOM 1307 HE1 TYR 81 -29.226 36.378 -12.757 1.00 21.44 ATOM 1308 CE2 TYR 81 -30.550 39.478 -12.809 1.00 61.43 ATOM 1309 HE2 TYR 81 -31.499 39.986 -12.729 1.00 42.04 ATOM 1310 CZ TYR 81 -30.487 38.103 -12.723 1.00 62.11 ATOM 1311 OH TYR 81 -31.637 37.369 -12.525 1.00 54.01 ATOM 1312 HH TYR 81 -31.483 36.729 -11.815 1.00 4.14 ATOM 1313 C TYR 81 -26.388 40.198 -15.781 1.00 61.42 ATOM 1314 O TYR 81 -25.607 40.710 -16.589 1.00 20.35 ATOM 1315 N ARG 82 -27.661 39.938 -16.091 1.00 4.22 ATOM 1316 HN ARG 82 -28.223 39.477 -15.440 1.00 38.60 ATOM 1317 CA ARG 82 -28.233 40.308 -17.394 1.00 60.43 ATOM 1318 HA ARG 82 -27.671 39.780 -18.154 1.00 44.42 ATOM 1319 CB ARG 82 -29.702 39.869 -17.475 1.00 52.40 ATOM 1320 HB1 ARG 82 -29.746 38.794 -17.363 1.00 38.60 ATOM 1321 HB2 ARG 82 -30.091 40.132 -18.449 1.00 50.20 ATOM 1322 CG ARG 82 -30.604 40.496 -16.416 1.00 10.21 ATOM 1323 HG1 ARG 82 -30.685 41.558 -16.607 1.00 38.60 ATOM 1324 HG2 ARG 82 -30.163 40.339 -15.442 1.00 1.12 ATOM 1325 CD ARG 82 -32.001 39.880 -16.429 1.00 21.41 ATOM 1326 HD1 ARG 82 -32.469 40.095 -17.379 1.00 38.60 ATOM 1327 HD2 ARG 82 -32.586 40.322 -15.632 1.00 53.13 ATOM 1328 NE ARG 82 -31.956 38.430 -16.237 1.00 22.04 ATOM 1329 HE ARG 82 -31.075 38.010 -16.184 1.00 22.21 ATOM 1330 CZ ARG 82 -33.008 37.661 -16.144 1.00 31.13 ATOM 1331 NH1 ARG 82 -34.202 38.160 -16.191 1.00 11.31 ATOM 1332 HH11 ARG 82 -34.328 39.142 -16.302 1.00 62.24 ATOM 1333 HH12 ARG 82 -34.996 37.558 -16.110 1.00 14.53 ATOM 1334 NH2 ARG 82 -32.857 36.383 -16.000 1.00 31.40 ATOM 1335 HH21 ARG 82 -31.939 35.987 -15.959 1.00 21.51 ATOM 1336 HH22 ARG 82 -33.657 35.788 -15.942 1.00 31.12 ATOM 1337 C ARG 82 -28.111 41.820 -17.662 1.00 75.23 ATOM 1338 O ARG 82 -28.161 42.632 -16.736 1.00 2.12 ATOM 1339 N LYS 83 -27.937 42.177 -18.936 1.00 3.52 ATOM 1340 HN LYS 83 -27.939 41.473 -19.623 1.00 38.60 ATOM 1341 CA LYS 83 -27.765 43.579 -19.365 1.00 2.30 ATOM 1342 HA LYS 83 -27.771 43.576 -20.447 1.00 14.24 ATOM 1343 CB LYS 83 -28.937 44.453 -18.882 1.00 51.15 ATOM 1344 HB1 LYS 83 -28.751 45.478 -19.175 1.00 38.60 ATOM 1345 HB2 LYS 83 -28.990 44.403 -17.804 1.00 23.14 ATOM 1346 CG LYS 83 -30.289 44.034 -19.449 1.00 34.44 ATOM 1347 HG1 LYS 83 -30.492 43.015 -19.148 1.00 38.60 ATOM 1348 HG2 LYS 83 -30.244 44.085 -20.528 1.00 24.02 ATOM 1349 CD LYS 83 -31.432 44.929 -18.960 1.00 12.41 ATOM 1350 HD1 LYS 83 -31.374 45.010 -17.883 1.00 38.60 ATOM 1351 HD2 LYS 83 -32.372 44.470 -19.231 1.00 21.03 ATOM 1352 CE LYS 83 -31.384 46.335 -19.562 1.00 42.13 ATOM 1353 HE1 LYS 83 -32.302 46.847 -19.313 1.00 38.60 ATOM 1354 HE2 LYS 83 -31.306 46.250 -20.635 1.00 23.13 ATOM 1355 NZ LYS 83 -30.236 47.139 -19.061 1.00 13.11 ATOM 1356 HZ1 LYS 83 -30.206 47.114 -18.021 1.00 33.20 ATOM 1357 HZ2 LYS 83 -30.333 48.125 -19.367 1.00 44.40 ATOM 1358 HZ3 LYS 83 -29.341 46.763 -19.433 1.00 1.44 ATOM 1359 C LYS 83 -26.421 44.185 -18.905 1.00 11.21 ATOM 1360 O LYS 83 -26.125 45.342 -19.205 1.00 21.32 ATOM 1361 N ARG 84 -25.608 43.411 -18.187 1.00 73.44 ATOM 1362 HN ARG 84 -25.901 42.508 -17.945 1.00 38.60 ATOM 1363 CA ARG 84 -24.279 43.869 -17.748 1.00 52.11 ATOM 1364 HA ARG 84 -24.218 44.934 -17.922 1.00 64.22 ATOM 1365 CB ARG 84 -24.094 43.595 -16.245 1.00 1.04 ATOM 1366 HB1 ARG 84 -23.080 43.847 -15.964 1.00 38.60 ATOM 1367 HB2 ARG 84 -24.254 42.540 -16.062 1.00 75.04 ATOM 1368 CG ARG 84 -25.050 44.385 -15.354 1.00 14.11 ATOM 1369 HG1 ARG 84 -25.015 43.974 -14.353 1.00 38.60 ATOM 1370 HG2 ARG 84 -26.052 44.285 -15.745 1.00 41.23 ATOM 1371 CD ARG 84 -24.692 45.870 -15.290 1.00 32.15 ATOM 1372 HD1 ARG 84 -25.543 46.413 -14.901 1.00 38.60 ATOM 1373 HD2 ARG 84 -24.472 46.223 -16.289 1.00 25.14 ATOM 1374 NE ARG 84 -23.538 46.125 -14.423 1.00 54.23 ATOM 1375 HE ARG 84 -23.614 45.855 -13.485 1.00 74.14 ATOM 1376 CZ ARG 84 -22.436 46.717 -14.805 1.00 24.12 ATOM 1377 NH1 ARG 84 -22.273 47.082 -16.036 1.00 43.24 ATOM 1378 HH11 ARG 84 -22.992 46.921 -16.704 1.00 5.44 ATOM 1379 HH12 ARG 84 -21.417 47.514 -16.318 1.00 30.21 ATOM 1380 NH2 ARG 84 -21.497 46.951 -13.946 1.00 4.52 ATOM 1381 HH21 ARG 84 -21.609 46.677 -12.992 1.00 24.12 ATOM 1382 HH22 ARG 84 -20.662 47.417 -14.238 1.00 31.23 ATOM 1383 C ARG 84 -23.169 43.174 -18.549 1.00 52.31 ATOM 1384 O ARG 84 -23.374 42.088 -19.096 1.00 65.03 ATOM 1385 N LYS 85 -21.998 43.803 -18.629 1.00 14.02 ATOM 1386 HN LYS 85 -21.903 44.689 -18.222 1.00 38.60 ATOM 1387 CA LYS 85 -20.850 43.205 -19.319 1.00 0.54 ATOM 1388 HA LYS 85 -21.213 42.771 -20.242 1.00 34.13 ATOM 1389 CB LYS 85 -19.804 44.280 -19.660 1.00 21.31 ATOM 1390 HB1 LYS 85 -18.925 43.798 -20.065 1.00 38.60 ATOM 1391 HB2 LYS 85 -19.529 44.799 -18.751 1.00 63.41 ATOM 1392 CG LYS 85 -20.290 45.319 -20.671 1.00 44.25 ATOM 1393 HG1 LYS 85 -19.518 46.067 -20.803 1.00 38.60 ATOM 1394 HG2 LYS 85 -21.183 45.791 -20.287 1.00 75.35 ATOM 1395 CD LYS 85 -20.614 44.696 -22.029 1.00 2.05 ATOM 1396 HD1 LYS 85 -21.001 45.467 -22.684 1.00 38.60 ATOM 1397 HD2 LYS 85 -21.365 43.931 -21.893 1.00 3.32 ATOM 1398 CE LYS 85 -19.384 44.068 -22.680 1.00 75.42 ATOM 1399 HE1 LYS 85 -19.689 43.582 -23.595 1.00 38.60 ATOM 1400 HE2 LYS 85 -18.969 43.332 -22.006 1.00 72.31 ATOM 1401 NZ LYS 85 -18.337 45.078 -22.995 1.00 4.00 ATOM 1402 HZ1 LYS 85 -18.703 45.777 -23.675 1.00 34.12 ATOM 1403 HZ2 LYS 85 -17.505 44.617 -23.410 1.00 14.14 ATOM 1404 HZ3 LYS 85 -18.044 45.576 -22.132 1.00 72.42 ATOM 1405 C LYS 85 -20.222 42.084 -18.476 1.00 42.31 ATOM 1406 O LYS 85 -19.216 42.285 -17.796 1.00 54.11 ATOM 1407 N LEU 86 -20.851 40.911 -18.513 1.00 41.30 ATOM 1408 HN LEU 86 -21.646 40.826 -19.076 1.00 38.60 ATOM 1409 CA LEU 86 -20.416 39.752 -17.719 1.00 21.43 ATOM 1410 HA LEU 86 -20.321 40.085 -16.695 1.00 54.44 ATOM 1411 CB LEU 86 -21.477 38.631 -17.769 1.00 3.24 ATOM 1412 HB1 LEU 86 -22.437 39.071 -17.531 1.00 38.60 ATOM 1413 HB2 LEU 86 -21.235 37.912 -16.997 1.00 55.41 ATOM 1414 CG LEU 86 -21.615 37.869 -19.107 1.00 31.54 ATOM 1415 HG LEU 86 -20.645 37.485 -19.393 1.00 53.33 ATOM 1416 CD1 LEU 86 -22.551 36.672 -18.946 1.00 15.31 ATOM 1417 HD11 LEU 86 -22.629 36.145 -19.887 1.00 72.22 ATOM 1418 HD12 LEU 86 -23.531 37.012 -18.642 1.00 55.02 ATOM 1419 HD13 LEU 86 -22.153 36.005 -18.194 1.00 55.51 ATOM 1420 CD2 LEU 86 -22.108 38.782 -20.230 1.00 53.50 ATOM 1421 HD21 LEU 86 -23.052 39.226 -19.950 1.00 32.40 ATOM 1422 HD22 LEU 86 -22.237 38.205 -21.134 1.00 0.41 ATOM 1423 HD23 LEU 86 -21.380 39.561 -20.407 1.00 71.13 ATOM 1424 C LEU 86 -19.049 39.202 -18.173 1.00 24.33 ATOM 1425 O LEU 86 -18.429 39.717 -19.108 1.00 24.05 ATOM 1426 N GLU 87 -18.596 38.145 -17.492 1.00 40.11 ATOM 1427 HN GLU 87 -19.163 37.764 -16.788 1.00 38.60 ATOM 1428 CA GLU 87 -17.292 37.518 -17.758 1.00 74.24 ATOM 1429 HA GLU 87 -17.182 36.712 -17.045 1.00 64.40 ATOM 1430 CB GLU 87 -17.250 36.919 -19.175 1.00 72.31 ATOM 1431 HB1 GLU 87 -16.288 36.449 -19.327 1.00 38.60 ATOM 1432 HB2 GLU 87 -17.365 37.720 -19.894 1.00 63.40 ATOM 1433 CG GLU 87 -18.340 35.879 -19.441 1.00 44.32 ATOM 1434 HG1 GLU 87 -18.132 35.394 -20.385 1.00 38.60 ATOM 1435 HG2 GLU 87 -19.293 36.387 -19.507 1.00 41.33 ATOM 1436 CD GLU 87 -18.429 34.815 -18.353 1.00 73.42 ATOM 1437 OE1 GLU 87 -17.598 33.879 -18.352 1.00 71.40 ATOM 1438 OE2 GLU 87 -19.331 34.910 -17.490 1.00 21.51 ATOM 1439 C GLU 87 -16.131 38.502 -17.535 1.00 61.34 ATOM 1440 O GLU 87 -15.194 38.590 -18.332 1.00 62.30 ATOM 1441 N THR 88 -16.211 39.245 -16.437 1.00 34.11 ATOM 1442 HN THR 88 -17.023 39.192 -15.893 1.00 38.60 ATOM 1443 CA THR 88 -15.132 40.145 -16.012 1.00 12.40 ATOM 1444 HA THR 88 -14.210 39.790 -16.457 1.00 63.34 ATOM 1445 CB THR 88 -15.373 41.602 -16.487 1.00 1.22 ATOM 1446 HB THR 88 -16.316 41.944 -16.079 1.00 10.20 ATOM 1447 OG1 THR 88 -15.444 41.644 -17.921 1.00 3.04 ATOM 1448 HG1 THR 88 -15.338 40.748 -18.271 1.00 52.33 ATOM 1449 CG2 THR 88 -14.264 42.537 -16.007 1.00 30.14 ATOM 1450 HG21 THR 88 -14.223 42.528 -14.927 1.00 54.03 ATOM 1451 HG22 THR 88 -14.470 43.541 -16.346 1.00 3.13 ATOM 1452 HG23 THR 88 -13.314 42.211 -16.409 1.00 31.11 ATOM 1453 C THR 88 -14.983 40.122 -14.486 1.00 73.12 ATOM 1454 O THR 88 -15.854 40.603 -13.758 1.00 3.13 ATOM 1455 N ILE 89 -13.882 39.544 -14.007 1.00 32.44 ATOM 1456 HN ILE 89 -13.211 39.202 -14.638 1.00 38.60 ATOM 1457 CA ILE 89 -13.644 39.400 -12.566 1.00 73.44 ATOM 1458 HA ILE 89 -14.512 38.913 -12.138 1.00 51.44 ATOM 1459 CB ILE 89 -12.405 38.509 -12.283 1.00 11.24 ATOM 1460 HB ILE 89 -11.535 39.012 -12.683 1.00 2.22 ATOM 1461 CG1 ILE 89 -12.552 37.140 -12.972 1.00 61.24 ATOM 1462 HG11 ILE 89 -11.676 36.543 -12.764 1.00 38.60 ATOM 1463 HG12 ILE 89 -12.632 37.289 -14.038 1.00 1.20 ATOM 1464 CG2 ILE 89 -12.193 38.335 -10.775 1.00 12.13 ATOM 1465 HG21 ILE 89 -11.337 37.697 -10.602 1.00 53.54 ATOM 1466 HG22 ILE 89 -13.071 37.886 -10.334 1.00 14.12 ATOM 1467 HG23 ILE 89 -12.019 39.300 -10.322 1.00 13.45 ATOM 1468 CD1 ILE 89 -13.768 36.353 -12.526 1.00 24.52 ATOM 1469 HD11 ILE 89 -14.663 36.918 -12.741 1.00 4.42 ATOM 1470 HD12 ILE 89 -13.708 36.162 -11.464 1.00 74.13 ATOM 1471 HD13 ILE 89 -13.801 35.415 -13.059 1.00 54.52 ATOM 1472 C ILE 89 -13.456 40.763 -11.877 1.00 32.32 ATOM 1473 O ILE 89 -12.379 41.361 -11.931 1.00 50.14 ATOM 1474 N VAL 90 -14.520 41.256 -11.247 1.00 62.34 ATOM 1475 HN VAL 90 -15.367 40.768 -11.300 1.00 38.60 ATOM 1476 CA VAL 90 -14.473 42.511 -10.486 1.00 14.14 ATOM 1477 HA VAL 90 -13.483 42.937 -10.603 1.00 60.23 ATOM 1478 CB VAL 90 -15.506 43.535 -11.020 1.00 5.55 ATOM 1479 HB VAL 90 -15.450 44.423 -10.404 1.00 41.14 ATOM 1480 CG1 VAL 90 -15.176 43.938 -12.456 1.00 4.14 ATOM 1481 HG11 VAL 90 -14.179 44.351 -12.494 1.00 23.00 ATOM 1482 HG12 VAL 90 -15.884 44.682 -12.793 1.00 14.42 ATOM 1483 HG13 VAL 90 -15.231 43.072 -13.101 1.00 13.14 ATOM 1484 CG2 VAL 90 -16.929 42.979 -10.928 1.00 22.12 ATOM 1485 HG21 VAL 90 -17.170 42.772 -9.894 1.00 35.10 ATOM 1486 HG22 VAL 90 -17.000 42.065 -11.501 1.00 24.02 ATOM 1487 HG23 VAL 90 -17.626 43.704 -11.321 1.00 43.04 ATOM 1488 C VAL 90 -14.728 42.258 -8.989 1.00 40.12 ATOM 1489 O VAL 90 -15.468 41.342 -8.623 1.00 53.42 ATOM 1490 N GLN 91 -14.118 43.074 -8.128 1.00 10.52 ATOM 1491 HN GLN 91 -13.588 43.822 -8.475 1.00 38.60 ATOM 1492 HA GLN 91 -14.541 41.864 -6.495 1.00 73.34 ATOM 1493 CB GLN 91 -12.843 43.082 -6.019 1.00 43.54 ATOM 1494 HB1 GLN 91 -12.906 42.806 -4.975 1.00 38.60 ATOM 1495 HB2 GLN 91 -12.574 44.127 -6.087 1.00 11.11 ATOM 1496 CG GLN 91 -11.728 42.260 -6.666 1.00 72.34 ATOM 1497 HG1 GLN 91 -10.805 42.460 -6.141 1.00 38.60 ATOM 1498 HG2 GLN 91 -11.624 42.569 -7.696 1.00 14.35 ATOM 1499 CD GLN 91 -11.986 40.759 -6.635 1.00 71.53 ATOM 1500 OE1 GLN 91 -12.625 40.241 -5.728 1.00 12.23 ATOM 1501 NE2 GLN 91 -11.483 40.047 -7.624 1.00 54.10 ATOM 1502 HE21 GLN 91 -10.975 40.514 -8.320 1.00 51.00 ATOM 1503 HE22 GLN 91 -11.638 39.082 -7.619 1.00 31.44 ATOM 1504 CA GLN 91 -14.221 42.883 -6.671 1.00 74.41 ATOM 1505 C GLN 91 -15.259 43.839 -6.040 1.00 32.55 ATOM 1506 OT1 GLN 91 -16.409 43.404 -5.789 1.00 38.60 ATOM 1507 OT2 GLN 91 -14.928 45.028 -5.818 1.00 38.60 ATOM 1508 OH2 TIP3 1 -22.703 8.459 1.274 1.00 0.00 WAT1 ATOM 1509 H1 TIP3 1 -22.450 8.142 2.167 1.00 0.00 WAT1 ATOM 1510 H2 TIP3 1 -23.603 8.099 1.140 1.00 0.00 WAT1 ATOM 1511 OH2 TIP3 2 -28.810 11.011 0.870 1.00 0.00 WAT1 ATOM 1512 H1 TIP3 2 -28.828 10.225 0.275 1.00 0.00 WAT1 ATOM 1513 H2 TIP3 2 -28.191 11.614 0.443 1.00 0.00 WAT1 ATOM 1514 OH2 TIP3 3 -26.237 7.824 -0.980 1.00 0.00 WAT1 ATOM 1515 H1 TIP3 3 -25.921 7.781 -0.053 1.00 0.00 WAT1 ATOM 1516 H2 TIP3 3 -25.423 7.953 -1.504 1.00 0.00 WAT1 ATOM 1517 OH2 TIP3 4 -25.458 13.404 3.396 1.00 0.00 WAT1 ATOM 1518 H1 TIP3 4 -25.066 12.530 3.530 1.00 0.00 WAT1 ATOM 1519 H2 TIP3 4 -25.609 13.450 2.422 1.00 0.00 WAT1 ATOM 1520 OH2 TIP3 5 -28.159 18.291 0.802 1.00 0.00 WAT1 ATOM 1521 H1 TIP3 5 -28.251 17.969 -0.114 1.00 0.00 WAT1 ATOM 1522 H2 TIP3 5 -27.508 19.008 0.733 1.00 0.00 WAT1 ATOM 1523 OH2 TIP3 6 -28.724 8.905 -0.848 1.00 0.00 WAT1 ATOM 1524 H1 TIP3 6 -27.812 8.536 -0.882 1.00 0.00 WAT1 ATOM 1525 H2 TIP3 6 -29.230 8.335 -1.431 1.00 0.00 WAT1 ATOM 1526 OH2 TIP3 7 -25.767 13.141 0.662 1.00 0.00 WAT1 ATOM 1527 H1 TIP3 7 -25.199 12.729 -0.010 1.00 0.00 WAT1 ATOM 1528 H2 TIP3 7 -26.022 14.004 0.262 1.00 0.00 WAT1 ATOM 1529 OH2 TIP3 8 -23.430 15.791 -7.760 1.00 0.00 WAT1 ATOM 1530 H1 TIP3 8 -22.972 15.844 -8.623 1.00 0.00 WAT1 ATOM 1531 H2 TIP3 8 -24.300 15.386 -7.977 1.00 0.00 WAT1 ATOM 1532 OH2 TIP3 9 -26.308 15.607 -0.339 1.00 0.00 WAT1 ATOM 1533 H1 TIP3 9 -26.750 15.806 0.511 1.00 0.00 WAT1 ATOM 1534 H2 TIP3 9 -26.687 16.258 -0.964 1.00 0.00 WAT1 ATOM 1535 OH2 TIP3 10 -24.136 17.994 -11.152 1.00 0.00 WAT1 ATOM 1536 H1 TIP3 10 -24.645 18.126 -11.960 1.00 0.00 WAT1 ATOM 1537 H2 TIP3 10 -24.825 17.844 -10.453 1.00 0.00 WAT1 ATOM 1538 OH2 TIP3 11 -26.505 18.450 -4.475 1.00 0.00 WAT1 ATOM 1539 H1 TIP3 11 -26.342 19.410 -4.337 1.00 0.00 WAT1 ATOM 1540 H2 TIP3 11 -25.682 18.126 -4.898 1.00 0.00 WAT1 ATOM 1541 OH2 TIP3 12 -21.831 14.909 -5.758 1.00 0.00 WAT1 ATOM 1542 H1 TIP3 12 -22.511 15.197 -6.413 1.00 0.00 WAT1 ATOM 1543 H2 TIP3 12 -22.355 14.639 -4.972 1.00 0.00 WAT1 ATOM 1544 OH2 TIP3 13 -27.435 14.967 4.763 1.00 0.00 WAT1 ATOM 1545 H1 TIP3 13 -26.611 14.618 4.371 1.00 0.00 WAT1 ATOM 1546 H2 TIP3 13 -27.990 14.174 4.881 1.00 0.00 WAT1 ATOM 1547 OH2 TIP3 14 -25.817 14.692 -8.608 1.00 0.00 WAT1 ATOM 1548 H1 TIP3 14 -26.501 14.398 -7.955 1.00 0.00 WAT1 ATOM 1549 H2 TIP3 14 -25.722 13.938 -9.201 1.00 0.00 WAT1 ATOM 1550 OH2 TIP3 15 -25.215 12.669 -4.583 1.00 0.00 WAT1 ATOM 1551 H1 TIP3 15 -24.494 12.002 -4.546 1.00 0.00 WAT1 ATOM 1552 H2 TIP3 15 -24.812 13.471 -4.212 1.00 0.00 WAT1 ATOM 1553 OH2 TIP3 16 -27.311 17.738 -1.824 1.00 0.00 WAT1 ATOM 1554 H1 TIP3 16 -26.911 18.577 -1.514 1.00 0.00 WAT1 ATOM 1555 H2 TIP3 16 -27.190 17.761 -2.796 1.00 0.00 WAT1 ATOM 1556 OH2 TIP3 17 -30.227 11.028 3.168 1.00 0.00 WAT1 ATOM 1557 H1 TIP3 17 -31.099 10.689 2.951 1.00 0.00 WAT1 ATOM 1558 H2 TIP3 17 -29.738 11.008 2.310 1.00 0.00 WAT1 ATOM 1559 OH2 TIP3 18 -25.340 7.761 1.642 1.00 0.00 WAT1 ATOM 1560 H1 TIP3 18 -25.647 8.448 2.252 1.00 0.00 WAT1 ATOM 1561 H2 TIP3 18 -25.141 6.998 2.219 1.00 0.00 WAT1 ATOM 1562 OH2 TIP3 19 -27.102 18.900 -7.231 1.00 0.00 WAT1 ATOM 1563 H1 TIP3 19 -27.094 18.744 -6.265 1.00 0.00 WAT1 ATOM 1564 H2 TIP3 19 -28.061 19.006 -7.448 1.00 0.00 WAT1 ATOM 1565 OH2 TIP3 20 -26.503 20.124 -0.713 1.00 0.00 WAT1 ATOM 1566 H1 TIP3 20 -27.286 20.714 -0.714 1.00 0.00 WAT1 ATOM 1567 H2 TIP3 20 -25.767 20.706 -0.941 1.00 0.00 WAT1 ATOM 1568 OH2 TIP3 21 -24.372 17.967 -6.169 1.00 0.00 WAT1 ATOM 1569 H1 TIP3 21 -23.976 17.199 -6.625 1.00 0.00 WAT1 ATOM 1570 H2 TIP3 21 -24.802 18.467 -6.877 1.00 0.00 WAT1 ATOM 1571 OH2 TIP3 22 -27.240 16.141 2.175 1.00 0.00 WAT1 ATOM 1572 H1 TIP3 22 -27.574 15.942 3.069 1.00 0.00 WAT1 ATOM 1573 H2 TIP3 22 -27.780 16.909 1.880 1.00 0.00 WAT1 ATOM 1574 OH2 TIP3 23 -24.065 15.000 5.186 1.00 0.00 WAT1 ATOM 1575 H1 TIP3 23 -24.246 14.396 5.938 1.00 0.00 WAT1 ATOM 1576 H2 TIP3 23 -24.477 14.555 4.419 1.00 0.00 WAT1 ATOM 1577 OH2 TIP3 24 -34.452 20.261 3.493 1.00 0.00 WAT1 ATOM 1578 H1 TIP3 24 -34.977 19.432 3.512 1.00 0.00 WAT1 ATOM 1579 H2 TIP3 24 -35.073 20.938 3.823 1.00 0.00 WAT1 ATOM 1580 OH2 TIP3 25 -36.251 18.170 3.784 1.00 0.00 WAT1 ATOM 1581 H1 TIP3 25 -36.176 17.367 4.308 1.00 0.00 WAT1 ATOM 1582 H2 TIP3 25 -37.186 18.227 3.565 1.00 0.00 WAT1 ATOM 1583 OH2 TIP3 26 -27.823 17.871 8.872 1.00 0.00 WAT1 ATOM 1584 H1 TIP3 26 -27.056 17.567 9.410 1.00 0.00 WAT1 ATOM 1585 H2 TIP3 26 -27.631 17.531 7.971 1.00 0.00 WAT1 ATOM 1586 OH2 TIP3 27 -27.050 17.286 6.234 1.00 0.00 WAT1 ATOM 1587 H1 TIP3 27 -26.099 17.346 6.016 1.00 0.00 WAT1 ATOM 1588 H2 TIP3 27 -27.349 16.476 5.765 1.00 0.00 WAT1 ATOM 1589 OH2 TIP3 28 -28.166 12.270 4.410 1.00 0.00 WAT1 ATOM 1590 H1 TIP3 28 -29.001 11.827 4.122 1.00 0.00 WAT1 ATOM 1591 H2 TIP3 28 -27.668 12.387 3.589 1.00 0.00 WAT1 ATOM 1592 OH2 TIP3 29 -27.041 18.950 13.525 1.00 0.00 WAT1 ATOM 1593 H1 TIP3 29 -26.153 18.723 13.175 1.00 0.00 WAT1 ATOM 1594 H2 TIP3 29 -27.662 18.546 12.880 1.00 0.00 WAT1 ATOM 1595 OH2 TIP3 30 -25.219 14.636 9.616 1.00 0.00 WAT1 ATOM 1596 H1 TIP3 30 -25.667 15.469 9.849 1.00 0.00 WAT1 ATOM 1597 H2 TIP3 30 -24.387 14.672 10.111 1.00 0.00 WAT1 ATOM 1598 OH2 TIP3 31 -26.373 11.264 6.224 1.00 0.00 WAT1 ATOM 1599 H1 TIP3 31 -27.008 11.676 5.593 1.00 0.00 WAT1 ATOM 1600 H2 TIP3 31 -26.928 10.717 6.792 1.00 0.00 WAT1 ATOM 1601 OH2 TIP3 32 -28.776 18.109 11.556 1.00 0.00 WAT1 ATOM 1602 H1 TIP3 32 -28.572 17.786 10.659 1.00 0.00 WAT1 ATOM 1603 H2 TIP3 32 -29.338 17.395 11.946 1.00 0.00 WAT1 ATOM 1604 OH2 TIP3 33 -29.481 19.988 7.017 1.00 0.00 WAT1 ATOM 1605 H1 TIP3 33 -29.558 19.049 7.233 1.00 0.00 WAT1 ATOM 1606 H2 TIP3 33 -28.895 20.347 7.719 1.00 0.00 WAT1 ATOM 1607 OH2 TIP3 34 -26.806 31.903 -17.052 1.00 0.00 WAT1 ATOM 1608 H1 TIP3 34 -27.326 31.097 -17.181 1.00 0.00 WAT1 ATOM 1609 H2 TIP3 34 -26.041 31.610 -16.508 1.00 0.00 WAT1 ATOM 1610 OH2 TIP3 35 -30.502 32.148 -20.035 1.00 0.00 WAT1 ATOM 1611 H1 TIP3 35 -30.864 33.024 -20.208 1.00 0.00 WAT1 ATOM 1612 H2 TIP3 35 -29.638 32.162 -20.463 1.00 0.00 WAT1 ATOM 1613 OH2 TIP3 36 -38.733 40.620 -13.841 1.00 0.00 WAT1 ATOM 1614 H1 TIP3 36 -38.442 40.054 -14.585 1.00 0.00 WAT1 ATOM 1615 H2 TIP3 36 -39.163 41.379 -14.272 1.00 0.00 WAT1 ATOM 1616 OH2 TIP3 37 -31.180 34.176 -16.048 1.00 0.00 WAT1 ATOM 1617 H1 TIP3 37 -31.492 33.354 -15.631 1.00 0.00 WAT1 ATOM 1618 H2 TIP3 37 -30.632 33.873 -16.784 1.00 0.00 WAT1 ATOM 1619 OH2 TIP3 38 -29.247 34.200 -22.057 1.00 0.00 WAT1 ATOM 1620 H1 TIP3 38 -29.567 33.878 -22.904 1.00 0.00 WAT1 ATOM 1621 H2 TIP3 38 -28.295 34.407 -22.225 1.00 0.00 WAT1 ATOM 1622 OH2 TIP3 39 -28.481 36.018 -18.609 1.00 0.00 WAT1 ATOM 1623 H1 TIP3 39 -27.670 36.310 -19.069 1.00 0.00 WAT1 ATOM 1624 H2 TIP3 39 -29.188 36.129 -19.287 1.00 0.00 WAT1 ATOM 1625 OH2 TIP3 40 -29.053 27.358 -14.467 1.00 0.00 WAT1 ATOM 1626 H1 TIP3 40 -29.596 27.857 -15.124 1.00 0.00 WAT1 ATOM 1627 H2 TIP3 40 -29.539 27.478 -13.622 1.00 0.00 WAT1 ATOM 1628 OH2 TIP3 41 -21.966 25.599 -14.446 1.00 0.00 WAT1 ATOM 1629 H1 TIP3 41 -22.074 24.669 -14.183 1.00 0.00 WAT1 ATOM 1630 H2 TIP3 41 -21.086 25.621 -14.886 1.00 0.00 WAT1 ATOM 1631 OH2 TIP3 42 -22.002 20.836 -15.605 1.00 0.00 WAT1 ATOM 1632 H1 TIP3 42 -21.423 21.565 -15.300 1.00 0.00 WAT1 ATOM 1633 H2 TIP3 42 -21.392 20.192 -15.982 1.00 0.00 WAT1 ATOM 1634 OH2 TIP3 43 -34.891 40.136 -19.603 1.00 0.00 WAT1 ATOM 1635 H1 TIP3 43 -34.268 39.646 -20.175 1.00 0.00 WAT1 ATOM 1636 H2 TIP3 43 -34.816 41.065 -19.909 1.00 0.00 WAT1 ATOM 1637 OH2 TIP3 44 -32.784 39.071 -21.427 1.00 0.00 WAT1 ATOM 1638 H1 TIP3 44 -32.316 38.390 -20.923 1.00 0.00 WAT1 ATOM 1639 H2 TIP3 44 -32.482 38.932 -22.352 1.00 0.00 WAT1 ATOM 1640 OH2 TIP3 45 -30.079 36.497 -20.756 1.00 0.00 WAT1 ATOM 1641 H1 TIP3 45 -29.817 37.248 -21.330 1.00 0.00 WAT1 ATOM 1642 H2 TIP3 45 -29.815 35.701 -21.265 1.00 0.00 WAT1 ATOM 1643 OH2 TIP3 46 -28.235 34.176 -16.479 1.00 0.00 WAT1 ATOM 1644 H1 TIP3 46 -28.221 34.712 -17.302 1.00 0.00 WAT1 ATOM 1645 H2 TIP3 46 -27.730 33.364 -16.713 1.00 0.00 WAT1 ATOM 1646 OH2 TIP3 47 -34.092 28.472 -8.917 1.00 0.00 WAT1 ATOM 1647 H1 TIP3 47 -34.051 29.360 -9.332 1.00 0.00 WAT1 ATOM 1648 H2 TIP3 47 -34.505 27.917 -9.590 1.00 0.00 WAT1 ATOM 1649 OH2 TIP3 48 -31.354 27.504 -5.466 1.00 0.00 WAT1 ATOM 1650 H1 TIP3 48 -32.309 27.462 -5.688 1.00 0.00 WAT1 ATOM 1651 H2 TIP3 48 -31.110 26.578 -5.300 1.00 0.00 WAT1 ATOM 1652 OH2 TIP3 49 -30.727 29.644 -3.735 1.00 0.00 WAT1 ATOM 1653 H1 TIP3 49 -31.600 30.081 -3.647 1.00 0.00 WAT1 ATOM 1654 H2 TIP3 49 -30.873 28.952 -4.409 1.00 0.00 WAT1 ATOM 1655 OH2 TIP3 50 -32.856 33.908 -8.311 1.00 0.00 WAT1 ATOM 1656 H1 TIP3 50 -33.421 33.627 -7.580 1.00 0.00 WAT1 ATOM 1657 H2 TIP3 50 -33.463 33.945 -9.085 1.00 0.00 WAT1 ATOM 1658 OH2 TIP3 51 -33.243 30.389 -3.014 1.00 0.00 WAT1 ATOM 1659 H1 TIP3 51 -34.154 30.589 -3.314 1.00 0.00 WAT1 ATOM 1660 H2 TIP3 51 -33.368 29.935 -2.159 1.00 0.00 WAT1 ATOM 1661 OH2 TIP3 52 -30.467 21.713 -8.513 1.00 0.00 WAT1 ATOM 1662 H1 TIP3 52 -30.925 22.265 -9.187 1.00 0.00 WAT1 ATOM 1663 H2 TIP3 52 -30.385 22.307 -7.735 1.00 0.00 WAT1 ATOM 1664 OH2 TIP3 53 -33.782 30.858 -10.427 1.00 0.00 WAT1 ATOM 1665 H1 TIP3 53 -32.914 31.161 -10.083 1.00 0.00 WAT1 ATOM 1666 H2 TIP3 53 -34.303 31.679 -10.508 1.00 0.00 WAT1 ATOM 1667 OH2 TIP3 54 -35.655 28.292 -2.599 1.00 0.00 WAT1 ATOM 1668 H1 TIP3 54 -34.917 28.384 -1.974 1.00 0.00 WAT1 ATOM 1669 H2 TIP3 54 -35.890 29.222 -2.828 1.00 0.00 WAT1 ATOM 1670 OH2 TIP3 55 -29.728 19.187 -7.824 1.00 0.00 WAT1 ATOM 1671 H1 TIP3 55 -29.989 20.116 -8.016 1.00 0.00 WAT1 ATOM 1672 H2 TIP3 55 -30.451 18.663 -8.176 1.00 0.00 WAT1 ATOM 1673 OH2 TIP3 56 -28.816 21.678 -0.923 1.00 0.00 WAT1 ATOM 1674 H1 TIP3 56 -29.213 21.368 -1.748 1.00 0.00 WAT1 ATOM 1675 H2 TIP3 56 -28.594 22.624 -1.103 1.00 0.00 WAT1 ATOM 1676 OH2 TIP3 57 -30.270 35.425 -10.580 1.00 0.00 WAT1 ATOM 1677 H1 TIP3 57 -29.354 35.312 -10.914 1.00 0.00 WAT1 ATOM 1678 H2 TIP3 57 -30.767 34.696 -11.002 1.00 0.00 WAT1 ATOM 1679 OH2 TIP3 58 -31.393 32.017 -9.735 1.00 0.00 WAT1 ATOM 1680 H1 TIP3 58 -31.667 32.700 -9.088 1.00 0.00 WAT1 ATOM 1681 H2 TIP3 58 -31.361 32.499 -10.592 1.00 0.00 WAT1 ATOM 1682 OH2 TIP3 59 -31.367 28.055 -8.200 1.00 0.00 WAT1 ATOM 1683 H1 TIP3 59 -32.339 28.117 -8.291 1.00 0.00 WAT1 ATOM 1684 H2 TIP3 59 -31.224 27.922 -7.239 1.00 0.00 WAT1 ATOM 1685 OH2 TIP3 60 -35.927 30.948 -3.079 1.00 0.00 WAT1 ATOM 1686 H1 TIP3 60 -35.679 31.728 -2.545 1.00 0.00 WAT1 ATOM 1687 H2 TIP3 60 -36.862 31.128 -3.348 1.00 0.00 WAT1 ATOM 1688 OH2 TIP3 61 -38.570 31.273 -3.558 1.00 0.00 WAT1 ATOM 1689 H1 TIP3 61 -38.887 30.649 -2.863 1.00 0.00 WAT1 ATOM 1690 H2 TIP3 61 -39.376 31.596 -3.967 1.00 0.00 WAT1 ATOM 1691 OH2 TIP3 62 -33.560 28.958 -0.687 1.00 0.00 WAT1 ATOM 1692 H1 TIP3 62 -32.754 29.222 -0.176 1.00 0.00 WAT1 ATOM 1693 H2 TIP3 62 -33.706 28.020 -0.434 1.00 0.00 WAT1 ATOM 1694 OH2 TIP3 63 -29.216 23.106 -12.311 1.00 0.00 WAT1 ATOM 1695 H1 TIP3 63 -28.246 23.088 -12.481 1.00 0.00 WAT1 ATOM 1696 H2 TIP3 63 -29.602 23.319 -13.166 1.00 0.00 WAT1 ATOM 1697 OH2 TIP3 64 -34.423 33.867 -10.562 1.00 0.00 WAT1 ATOM 1698 H1 TIP3 64 -35.082 34.572 -10.380 1.00 0.00 WAT1 ATOM 1699 H2 TIP3 64 -34.001 34.149 -11.398 1.00 0.00 WAT1 ATOM 1700 OH2 TIP3 65 -25.926 17.394 -9.254 1.00 0.00 WAT1 ATOM 1701 H1 TIP3 65 -26.054 16.455 -9.006 1.00 0.00 WAT1 ATOM 1702 H2 TIP3 65 -26.456 17.891 -8.595 1.00 0.00 WAT1 ATOM 1703 OH2 TIP3 66 -26.622 29.305 -12.651 1.00 0.00 WAT1 ATOM 1704 H1 TIP3 66 -26.876 29.735 -13.485 1.00 0.00 WAT1 ATOM 1705 H2 TIP3 66 -26.623 28.347 -12.870 1.00 0.00 WAT1 ATOM 1706 OH2 TIP3 67 -34.598 31.230 0.638 1.00 0.00 WAT1 ATOM 1707 H1 TIP3 67 -34.402 30.401 0.169 1.00 0.00 WAT1 ATOM 1708 H2 TIP3 67 -34.681 31.894 -0.081 1.00 0.00 WAT1 ATOM 1709 OH2 TIP3 68 -31.868 23.717 -2.399 1.00 0.00 WAT1 ATOM 1710 H1 TIP3 68 -32.692 24.056 -2.811 1.00 0.00 WAT1 ATOM 1711 H2 TIP3 68 -32.177 23.111 -1.711 1.00 0.00 WAT1 ATOM 1712 OH2 TIP3 69 -30.353 28.039 -12.135 1.00 0.00 WAT1 ATOM 1713 H1 TIP3 69 -30.051 28.648 -11.424 1.00 0.00 WAT1 ATOM 1714 H2 TIP3 69 -31.155 28.472 -12.489 1.00 0.00 WAT1 ATOM 1715 OH2 TIP3 70 -31.117 23.601 -10.354 1.00 0.00 WAT1 ATOM 1716 H1 TIP3 70 -30.973 24.553 -10.192 1.00 0.00 WAT1 ATOM 1717 H2 TIP3 70 -30.523 23.393 -11.099 1.00 0.00 WAT1 ATOM 1718 OH2 TIP3 71 -32.136 24.530 0.538 1.00 0.00 WAT1 ATOM 1719 H1 TIP3 71 -31.754 24.836 1.394 1.00 0.00 WAT1 ATOM 1720 H2 TIP3 71 -31.875 23.581 0.491 1.00 0.00 WAT1 ATOM 1721 OH2 TIP3 72 -32.474 24.815 -5.677 1.00 0.00 WAT1 ATOM 1722 H1 TIP3 72 -33.003 24.682 -4.870 1.00 0.00 WAT1 ATOM 1723 H2 TIP3 72 -32.997 25.452 -6.202 1.00 0.00 WAT1 ATOM 1724 OH2 TIP3 73 -30.163 23.609 -6.530 1.00 0.00 WAT1 ATOM 1725 H1 TIP3 73 -31.048 23.990 -6.332 1.00 0.00 WAT1 ATOM 1726 H2 TIP3 73 -29.782 23.425 -5.643 1.00 0.00 WAT1 ATOM 1727 OH2 TIP3 74 -33.860 27.052 -6.532 1.00 0.00 WAT1 ATOM 1728 H1 TIP3 74 -34.136 27.555 -7.327 1.00 0.00 WAT1 ATOM 1729 H2 TIP3 74 -34.680 26.977 -5.996 1.00 0.00 WAT1 ATOM 1730 OH2 TIP3 75 -35.913 26.665 -4.748 1.00 0.00 WAT1 ATOM 1731 H1 TIP3 75 -36.851 26.458 -4.833 1.00 0.00 WAT1 ATOM 1732 H2 TIP3 75 -35.878 27.336 -4.025 1.00 0.00 WAT1 ATOM 1733 OH2 TIP3 76 -30.294 26.207 -9.977 1.00 0.00 WAT1 ATOM 1734 H1 TIP3 76 -30.684 26.849 -9.347 1.00 0.00 WAT1 ATOM 1735 H2 TIP3 76 -30.254 26.697 -10.824 1.00 0.00 WAT1 ATOM 1736 OH2 TIP3 77 -32.577 29.778 -12.765 1.00 0.00 WAT1 ATOM 1737 H1 TIP3 77 -33.050 30.084 -11.965 1.00 0.00 WAT1 ATOM 1738 H2 TIP3 77 -33.279 29.596 -13.401 1.00 0.00 WAT1 ATOM 1739 OH2 TIP3 78 -37.779 27.408 -1.080 1.00 0.00 WAT1 ATOM 1740 H1 TIP3 78 -37.017 27.666 -1.634 1.00 0.00 WAT1 ATOM 1741 H2 TIP3 78 -37.444 26.678 -0.538 1.00 0.00 WAT1 ATOM 1742 OH2 TIP3 79 -29.365 33.301 -13.831 1.00 0.00 WAT1 ATOM 1743 H1 TIP3 79 -28.749 33.721 -13.196 1.00 0.00 WAT1 ATOM 1744 H2 TIP3 79 -29.039 33.591 -14.706 1.00 0.00 WAT1 ATOM 1745 OH2 TIP3 80 -34.275 32.700 -1.666 1.00 0.00 WAT1 ATOM 1746 H1 TIP3 80 -33.562 32.225 -2.125 1.00 0.00 WAT1 ATOM 1747 H2 TIP3 80 -34.336 33.559 -2.147 1.00 0.00 WAT1 ATOM 1748 OH2 TIP3 81 -35.877 36.168 -9.928 1.00 0.00 WAT1 ATOM 1749 H1 TIP3 81 -35.970 36.103 -8.967 1.00 0.00 WAT1 ATOM 1750 H2 TIP3 81 -35.721 37.126 -10.085 1.00 0.00 WAT1 ATOM 1751 OH2 TIP3 82 -30.469 29.140 -15.998 1.00 0.00 WAT1 ATOM 1752 H1 TIP3 82 -30.751 29.971 -15.568 1.00 0.00 WAT1 ATOM 1753 H2 TIP3 82 -30.682 29.280 -16.946 1.00 0.00 WAT1 ATOM 1754 OH2 TIP3 83 -24.510 36.200 -14.925 1.00 0.00 WAT1 ATOM 1755 H1 TIP3 83 -24.187 37.119 -15.048 1.00 0.00 WAT1 ATOM 1756 H2 TIP3 83 -23.695 35.657 -14.959 1.00 0.00 WAT1 ATOM 1757 OH2 TIP3 84 -30.058 29.642 -9.951 1.00 0.00 WAT1 ATOM 1758 H1 TIP3 84 -30.452 30.534 -9.841 1.00 0.00 WAT1 ATOM 1759 H2 TIP3 84 -30.485 29.103 -9.250 1.00 0.00 WAT1 ATOM 1760 OH2 TIP3 85 -36.585 36.740 -15.422 1.00 0.00 WAT1 ATOM 1761 H1 TIP3 85 -37.137 37.545 -15.518 1.00 0.00 WAT1 ATOM 1762 H2 TIP3 85 -36.581 36.565 -14.453 1.00 0.00 WAT1 ATOM 1763 OH2 TIP3 86 -29.524 23.479 -3.834 1.00 0.00 WAT1 ATOM 1764 H1 TIP3 86 -28.904 23.781 -3.142 1.00 0.00 WAT1 ATOM 1765 H2 TIP3 86 -30.402 23.512 -3.398 1.00 0.00 WAT1 ATOM 1766 OH2 TIP3 87 -31.186 29.910 -18.566 1.00 0.00 WAT1 ATOM 1767 H1 TIP3 87 -31.841 29.533 -19.158 1.00 0.00 WAT1 ATOM 1768 H2 TIP3 87 -30.906 30.737 -19.014 1.00 0.00 WAT1 ATOM 1769 OH2 TIP3 88 -33.831 26.224 -0.706 1.00 0.00 WAT1 ATOM 1770 H1 TIP3 88 -33.207 25.608 -0.246 1.00 0.00 WAT1 ATOM 1771 H2 TIP3 88 -34.698 26.056 -0.261 1.00 0.00 WAT1 ATOM 1772 OH2 TIP3 89 -36.075 36.303 -12.761 1.00 0.00 WAT1 ATOM 1773 H1 TIP3 89 -35.443 37.059 -12.710 1.00 0.00 WAT1 ATOM 1774 H2 TIP3 89 -36.385 36.191 -11.843 1.00 0.00 WAT1 ATOM 1775 OH2 TIP3 90 -28.456 24.819 -8.321 1.00 0.00 WAT1 ATOM 1776 H1 TIP3 90 -29.008 24.302 -7.693 1.00 0.00 WAT1 ATOM 1777 H2 TIP3 90 -29.107 25.249 -8.912 1.00 0.00 WAT1 ATOM 1778 OH2 TIP3 91 -35.083 34.734 -16.426 1.00 0.00 WAT1 ATOM 1779 H1 TIP3 91 -35.812 35.302 -16.094 1.00 0.00 WAT1 ATOM 1780 H2 TIP3 91 -35.526 34.064 -16.955 1.00 0.00 WAT1 ATOM 1781 OH2 TIP3 92 -29.147 31.275 1.400 1.00 0.00 WAT1 ATOM 1782 H1 TIP3 92 -29.428 32.197 1.378 1.00 0.00 WAT1 ATOM 1783 H2 TIP3 92 -28.283 31.300 1.860 1.00 0.00 WAT1 ATOM 1784 OH2 TIP3 93 -31.211 31.448 -14.658 1.00 0.00 WAT1 ATOM 1785 H1 TIP3 93 -30.470 31.973 -14.292 1.00 0.00 WAT1 ATOM 1786 H2 TIP3 93 -31.611 31.019 -13.878 1.00 0.00 WAT1 ATOM 1787 OH2 TIP3 94 -31.233 29.598 0.659 1.00 0.00 WAT1 ATOM 1788 H1 TIP3 94 -30.492 30.239 0.753 1.00 0.00 WAT1 ATOM 1789 H2 TIP3 94 -31.349 29.241 1.561 1.00 0.00 WAT1 ATOM 1790 OH2 TIP3 95 -39.449 29.531 -1.623 1.00 0.00 WAT1 ATOM 1791 H1 TIP3 95 -38.866 28.764 -1.425 1.00 0.00 WAT1 ATOM 1792 H2 TIP3 95 -40.188 29.424 -1.019 1.00 0.00 WAT1 ATOM 1793 OH2 TIP3 96 -26.665 28.506 -15.386 1.00 0.00 WAT1 ATOM 1794 H1 TIP3 96 -26.044 27.760 -15.474 1.00 0.00 WAT1 ATOM 1795 H2 TIP3 96 -27.532 28.080 -15.216 1.00 0.00 WAT1 ATOM 1796 OH2 TIP3 97 -34.041 25.113 -3.298 1.00 0.00 WAT1 ATOM 1797 H1 TIP3 97 -34.737 25.556 -3.824 1.00 0.00 WAT1 ATOM 1798 H2 TIP3 97 -34.122 25.513 -2.408 1.00 0.00 WAT1 ATOM 1799 OH2 TIP3 98 -35.150 23.250 2.016 1.00 0.00 WAT1 ATOM 1800 H1 TIP3 98 -35.705 22.800 2.691 1.00 0.00 WAT1 ATOM 1801 H2 TIP3 98 -34.551 22.559 1.704 1.00 0.00 WAT1 ATOM 1802 OH2 TIP3 99 -36.056 25.529 0.695 1.00 0.00 WAT1 ATOM 1803 H1 TIP3 99 -36.533 25.933 1.457 1.00 0.00 WAT1 ATOM 1804 H2 TIP3 99 -35.760 24.657 1.038 1.00 0.00 WAT1 ATOM 1805 OH2 TIP3 100 -31.164 22.035 0.624 1.00 0.00 WAT1 ATOM 1806 H1 TIP3 100 -30.279 21.800 0.281 1.00 0.00 WAT1 ATOM 1807 H2 TIP3 100 -31.184 21.650 1.517 1.00 0.00 WAT1 ATOM 1808 OH2 TIP3 101 -33.570 35.120 -12.939 1.00 0.00 WAT1 ATOM 1809 H1 TIP3 101 -34.527 35.314 -13.037 1.00 0.00 WAT1 ATOM 1810 H2 TIP3 101 -33.133 35.942 -13.218 1.00 0.00 WAT1 ATOM 1811 OH2 TIP3 102 -23.084 24.723 -11.094 1.00 0.00 WAT1 ATOM 1812 H1 TIP3 102 -23.020 25.541 -11.625 1.00 0.00 WAT1 ATOM 1813 H2 TIP3 102 -23.087 24.007 -11.760 1.00 0.00 WAT1 ATOM 1814 OH2 TIP3 103 -25.095 24.760 -14.070 1.00 0.00 WAT1 ATOM 1815 H1 TIP3 103 -24.810 25.493 -14.660 1.00 0.00 WAT1 ATOM 1816 H2 TIP3 103 -24.270 24.259 -13.897 1.00 0.00 WAT1 ATOM 1817 OH2 TIP3 104 -26.154 24.032 -9.933 1.00 0.00 WAT1 ATOM 1818 H1 TIP3 104 -26.873 23.750 -9.334 1.00 0.00 WAT1 ATOM 1819 H2 TIP3 104 -26.321 23.531 -10.753 1.00 0.00 WAT1 ATOM 1820 OH2 TIP3 105 -24.497 17.714 5.014 1.00 0.00 WAT1 ATOM 1821 H1 TIP3 105 -24.561 17.734 4.029 1.00 0.00 WAT1 ATOM 1822 H2 TIP3 105 -24.195 16.800 5.211 1.00 0.00 WAT1 ATOM 1823 OH2 TIP3 106 -25.869 20.890 -8.778 1.00 0.00 WAT1 ATOM 1824 H1 TIP3 106 -26.248 20.213 -8.183 1.00 0.00 WAT1 ATOM 1825 H2 TIP3 106 -26.641 21.209 -9.296 1.00 0.00 WAT1 ATOM 1826 OH2 TIP3 107 -25.374 25.325 2.393 1.00 0.00 WAT1 ATOM 1827 H1 TIP3 107 -25.709 25.369 1.483 1.00 0.00 WAT1 ATOM 1828 H2 TIP3 107 -24.922 26.185 2.523 1.00 0.00 WAT1 ATOM 1829 OH2 TIP3 108 -26.525 22.948 -12.624 1.00 0.00 WAT1 ATOM 1830 H1 TIP3 108 -26.010 22.144 -12.783 1.00 0.00 WAT1 ATOM 1831 H2 TIP3 108 -26.066 23.635 -13.151 1.00 0.00 WAT1 ATOM 1832 OH2 TIP3 109 -27.899 34.602 -11.828 1.00 0.00 WAT1 ATOM 1833 H1 TIP3 109 -27.466 35.014 -12.618 1.00 0.00 WAT1 ATOM 1834 H2 TIP3 109 -27.176 34.169 -11.362 1.00 0.00 WAT1 ATOM 1835 OH2 TIP3 110 -35.136 36.356 2.000 1.00 0.00 WAT1 ATOM 1836 H1 TIP3 110 -35.419 36.709 2.850 1.00 0.00 WAT1 ATOM 1837 H2 TIP3 110 -35.776 35.664 1.803 1.00 0.00 WAT1 ATOM 1838 OH2 TIP3 111 -30.263 36.475 -0.099 1.00 0.00 WAT1 ATOM 1839 H1 TIP3 111 -31.159 36.260 0.252 1.00 0.00 WAT1 ATOM 1840 H2 TIP3 111 -29.655 36.034 0.528 1.00 0.00 WAT1 ATOM 1841 OH2 TIP3 112 -24.729 17.422 2.327 1.00 0.00 WAT1 ATOM 1842 H1 TIP3 112 -25.495 16.874 2.067 1.00 0.00 WAT1 ATOM 1843 H2 TIP3 112 -24.090 17.300 1.609 1.00 0.00 WAT1 ATOM 1844 OH2 TIP3 113 -34.176 34.794 -3.368 1.00 0.00 WAT1 ATOM 1845 H1 TIP3 113 -34.688 35.145 -4.132 1.00 0.00 WAT1 ATOM 1846 H2 TIP3 113 -33.347 35.299 -3.386 1.00 0.00 WAT1 ATOM 1847 OH2 TIP3 114 -25.943 21.068 -4.017 1.00 0.00 WAT1 ATOM 1848 H1 TIP3 114 -25.242 21.150 -3.345 1.00 0.00 WAT1 ATOM 1849 H2 TIP3 114 -26.318 21.953 -4.082 1.00 0.00 WAT1 ATOM 1850 OH2 TIP3 115 -28.126 21.894 -9.988 1.00 0.00 WAT1 ATOM 1851 H1 TIP3 115 -28.546 22.235 -10.797 1.00 0.00 WAT1 ATOM 1852 H2 TIP3 115 -28.876 21.758 -9.373 1.00 0.00 WAT1 ATOM 1853 OH2 TIP3 116 -31.500 33.478 -12.062 1.00 0.00 WAT1 ATOM 1854 H1 TIP3 116 -32.250 33.906 -12.529 1.00 0.00 WAT1 ATOM 1855 H2 TIP3 116 -30.812 33.377 -12.756 1.00 0.00 WAT1 ATOM 1856 OH2 TIP3 117 -31.738 20.646 3.295 1.00 0.00 WAT1 ATOM 1857 H1 TIP3 117 -32.723 20.590 3.330 1.00 0.00 WAT1 ATOM 1858 H2 TIP3 117 -31.459 19.746 3.094 1.00 0.00 WAT1 ATOM 1859 OH2 TIP3 118 -26.596 31.730 2.551 1.00 0.00 WAT1 ATOM 1860 H1 TIP3 118 -26.165 32.469 2.101 1.00 0.00 WAT1 ATOM 1861 H2 TIP3 118 -25.876 31.053 2.644 1.00 0.00 WAT1 ATOM 1862 OH2 TIP3 119 -33.301 29.668 6.294 1.00 0.00 WAT1 ATOM 1863 H1 TIP3 119 -33.248 30.109 7.164 1.00 0.00 WAT1 ATOM 1864 H2 TIP3 119 -33.229 28.713 6.502 1.00 0.00 WAT1 ATOM 1865 OH2 TIP3 120 -29.125 28.693 12.012 1.00 0.00 WAT1 ATOM 1866 H1 TIP3 120 -29.020 28.515 12.972 1.00 0.00 WAT1 ATOM 1867 H2 TIP3 120 -29.775 29.422 11.974 1.00 0.00 WAT1 ATOM 1868 OH2 TIP3 121 -29.769 33.013 12.035 1.00 0.00 WAT1 ATOM 1869 H1 TIP3 121 -29.293 33.272 12.850 1.00 0.00 WAT1 ATOM 1870 H2 TIP3 121 -29.914 32.055 12.135 1.00 0.00 WAT1 ATOM 1871 OH2 TIP3 122 -28.914 20.567 16.811 1.00 0.00 WAT1 ATOM 1872 H1 TIP3 122 -28.798 21.516 17.068 1.00 0.00 WAT1 ATOM 1873 H2 TIP3 122 -29.560 20.229 17.440 1.00 0.00 WAT1 ATOM 1874 OH2 TIP3 123 -30.417 23.073 9.550 1.00 0.00 WAT1 ATOM 1875 H1 TIP3 123 -29.642 22.537 9.765 1.00 0.00 WAT1 ATOM 1876 H2 TIP3 123 -31.086 22.793 10.205 1.00 0.00 WAT1 ATOM 1877 OH2 TIP3 124 -28.429 23.162 17.348 1.00 0.00 WAT1 ATOM 1878 H1 TIP3 124 -28.766 23.918 17.860 1.00 0.00 WAT1 ATOM 1879 H2 TIP3 124 -27.607 23.495 16.949 1.00 0.00 WAT1 ATOM 1880 OH2 TIP3 125 -30.383 31.156 7.977 1.00 0.00 WAT1 ATOM 1881 H1 TIP3 125 -30.184 30.261 8.321 1.00 0.00 WAT1 ATOM 1882 H2 TIP3 125 -31.358 31.210 8.003 1.00 0.00 WAT1 ATOM 1883 OH2 TIP3 126 -30.727 25.669 8.816 1.00 0.00 WAT1 ATOM 1884 H1 TIP3 126 -31.670 25.872 8.990 1.00 0.00 WAT1 ATOM 1885 H2 TIP3 126 -30.627 24.731 9.114 1.00 0.00 WAT1 ATOM 1886 OH2 TIP3 127 -25.574 34.462 12.753 1.00 0.00 WAT1 ATOM 1887 H1 TIP3 127 -25.563 35.082 11.994 1.00 0.00 WAT1 ATOM 1888 H2 TIP3 127 -25.434 35.036 13.531 1.00 0.00 WAT1 ATOM 1889 OH2 TIP3 128 -28.771 33.123 9.238 1.00 0.00 WAT1 ATOM 1890 H1 TIP3 128 -29.337 32.455 8.802 1.00 0.00 WAT1 ATOM 1891 H2 TIP3 128 -29.035 33.088 10.173 1.00 0.00 WAT1 ATOM 1892 OH2 TIP3 129 -26.884 30.155 15.322 1.00 0.00 WAT1 ATOM 1893 H1 TIP3 129 -27.486 29.473 14.946 1.00 0.00 WAT1 ATOM 1894 H2 TIP3 129 -27.428 30.588 16.022 1.00 0.00 WAT1 ATOM 1895 OH2 TIP3 130 -31.597 28.761 3.277 1.00 0.00 WAT1 ATOM 1896 H1 TIP3 130 -31.695 29.664 3.645 1.00 0.00 WAT1 ATOM 1897 H2 TIP3 130 -32.511 28.456 3.157 1.00 0.00 WAT1 ATOM 1898 OH2 TIP3 131 -27.504 26.590 11.362 1.00 0.00 WAT1 ATOM 1899 H1 TIP3 131 -28.094 27.346 11.566 1.00 0.00 WAT1 ATOM 1900 H2 TIP3 131 -27.080 26.385 12.208 1.00 0.00 WAT1 ATOM 1901 OH2 TIP3 132 -30.927 30.595 11.139 1.00 0.00 WAT1 ATOM 1902 H1 TIP3 132 -31.407 31.344 10.741 1.00 0.00 WAT1 ATOM 1903 H2 TIP3 132 -30.827 29.957 10.404 1.00 0.00 WAT1 ATOM 1904 OH2 TIP3 133 -31.692 34.073 14.400 1.00 0.00 WAT1 ATOM 1905 H1 TIP3 133 -30.721 33.976 14.342 1.00 0.00 WAT1 ATOM 1906 H2 TIP3 133 -31.975 34.166 13.485 1.00 0.00 WAT1 ATOM 1907 OH2 TIP3 134 -26.071 19.902 5.693 1.00 0.00 WAT1 ATOM 1908 H1 TIP3 134 -26.801 19.258 5.756 1.00 0.00 WAT1 ATOM 1909 H2 TIP3 134 -25.328 19.378 5.324 1.00 0.00 WAT1 ATOM 1910 OH2 TIP3 135 -25.302 32.572 19.023 1.00 0.00 WAT1 ATOM 1911 H1 TIP3 135 -24.924 33.203 19.675 1.00 0.00 WAT1 ATOM 1912 H2 TIP3 135 -24.758 31.764 19.135 1.00 0.00 WAT1 ATOM 1913 OH2 TIP3 136 -26.470 33.204 4.919 1.00 0.00 WAT1 ATOM 1914 H1 TIP3 136 -26.723 32.569 4.221 1.00 0.00 WAT1 ATOM 1915 H2 TIP3 136 -25.895 33.857 4.448 1.00 0.00 WAT1 ATOM 1916 OH2 TIP3 137 -28.599 35.496 7.930 1.00 0.00 WAT1 ATOM 1917 H1 TIP3 137 -28.541 34.601 8.336 1.00 0.00 WAT1 ATOM 1918 H2 TIP3 137 -28.288 36.097 8.636 1.00 0.00 WAT1 ATOM 1919 OH2 TIP3 138 -34.222 24.648 4.266 1.00 0.00 WAT1 ATOM 1920 H1 TIP3 138 -34.520 24.273 3.410 1.00 0.00 WAT1 ATOM 1921 H2 TIP3 138 -34.569 25.565 4.259 1.00 0.00 WAT1 ATOM 1922 OH2 TIP3 139 -31.784 24.524 5.453 1.00 0.00 WAT1 ATOM 1923 H1 TIP3 139 -32.644 24.540 4.976 1.00 0.00 WAT1 ATOM 1924 H2 TIP3 139 -31.575 23.570 5.537 1.00 0.00 WAT1 ATOM 1925 OH2 TIP3 140 -33.143 26.902 6.745 1.00 0.00 WAT1 ATOM 1926 H1 TIP3 140 -32.553 26.221 6.369 1.00 0.00 WAT1 ATOM 1927 H2 TIP3 140 -33.328 26.581 7.654 1.00 0.00 WAT1 ATOM 1928 OH2 TIP3 141 -29.320 20.775 11.358 1.00 0.00 WAT1 ATOM 1929 H1 TIP3 141 -29.229 19.800 11.454 1.00 0.00 WAT1 ATOM 1930 H2 TIP3 141 -29.164 21.117 12.261 1.00 0.00 WAT1 ATOM 1931 OH2 TIP3 142 -31.969 22.225 11.642 1.00 0.00 WAT1 ATOM 1932 H1 TIP3 142 -31.533 21.360 11.673 1.00 0.00 WAT1 ATOM 1933 H2 TIP3 142 -31.538 22.737 12.367 1.00 0.00 WAT1 ATOM 1934 OH2 TIP3 143 -32.471 31.209 4.211 1.00 0.00 WAT1 ATOM 1935 H1 TIP3 143 -32.862 30.786 5.012 1.00 0.00 WAT1 ATOM 1936 H2 TIP3 143 -31.712 31.734 4.567 1.00 0.00 WAT1 ATOM 1937 OH2 TIP3 144 -28.520 28.024 14.606 1.00 0.00 WAT1 ATOM 1938 H1 TIP3 144 -27.716 27.469 14.508 1.00 0.00 WAT1 ATOM 1939 H2 TIP3 144 -29.159 27.434 15.067 1.00 0.00 WAT1 ATOM 1940 OH2 TIP3 145 -30.816 25.101 2.831 1.00 0.00 WAT1 ATOM 1941 H1 TIP3 145 -29.873 24.835 2.736 1.00 0.00 WAT1 ATOM 1942 H2 TIP3 145 -31.009 24.964 3.777 1.00 0.00 WAT1 ATOM 1943 OH2 TIP3 146 -30.368 32.393 5.435 1.00 0.00 WAT1 ATOM 1944 H1 TIP3 146 -29.850 33.223 5.382 1.00 0.00 WAT1 ATOM 1945 H2 TIP3 146 -30.201 32.064 6.338 1.00 0.00 WAT1 ATOM 1946 OH2 TIP3 147 -33.240 31.714 18.496 1.00 0.00 WAT1 ATOM 1947 H1 TIP3 147 -33.497 32.640 18.275 1.00 0.00 WAT1 ATOM 1948 H2 TIP3 147 -33.969 31.391 19.033 1.00 0.00 WAT1 ATOM 1949 OH2 TIP3 148 -23.131 29.127 17.663 1.00 0.00 WAT1 ATOM 1950 H1 TIP3 148 -23.335 29.703 18.438 1.00 0.00 WAT1 ATOM 1951 H2 TIP3 148 -22.174 29.005 17.708 1.00 0.00 WAT1 ATOM 1952 OH2 TIP3 149 -33.442 25.990 9.323 1.00 0.00 WAT1 ATOM 1953 H1 TIP3 149 -33.615 25.055 9.592 1.00 0.00 WAT1 ATOM 1954 H2 TIP3 149 -34.019 26.509 9.896 1.00 0.00 WAT1 ATOM 1955 OH2 TIP3 150 -31.353 30.951 16.642 1.00 0.00 WAT1 ATOM 1956 H1 TIP3 150 -31.887 31.143 15.866 1.00 0.00 WAT1 ATOM 1957 H2 TIP3 150 -31.948 31.159 17.398 1.00 0.00 WAT1 ATOM 1958 OH2 TIP3 151 -28.707 30.835 17.213 1.00 0.00 WAT1 ATOM 1959 H1 TIP3 151 -28.787 31.399 18.009 1.00 0.00 WAT1 ATOM 1960 H2 TIP3 151 -29.630 30.791 16.862 1.00 0.00 WAT1 ATOM 1961 OH2 TIP3 152 -24.896 37.514 3.923 1.00 0.00 WAT1 ATOM 1962 H1 TIP3 152 -25.563 37.479 3.230 1.00 0.00 WAT1 ATOM 1963 H2 TIP3 152 -25.328 38.036 4.641 1.00 0.00 WAT1 ATOM 1964 OH2 TIP3 153 -32.920 33.089 1.972 1.00 0.00 WAT1 ATOM 1965 H1 TIP3 153 -33.493 32.473 1.476 1.00 0.00 WAT1 ATOM 1966 H2 TIP3 153 -32.735 32.622 2.804 1.00 0.00 WAT1 ATOM 1967 OH2 TIP3 154 -33.133 31.319 8.555 1.00 0.00 WAT1 ATOM 1968 H1 TIP3 154 -34.073 31.535 8.566 1.00 0.00 WAT1 ATOM 1969 H2 TIP3 154 -32.724 31.998 9.141 1.00 0.00 WAT1 ATOM 1970 OH2 TIP3 155 -35.013 23.072 6.413 1.00 0.00 WAT1 ATOM 1971 H1 TIP3 155 -34.647 23.720 5.777 1.00 0.00 WAT1 ATOM 1972 H2 TIP3 155 -34.400 23.094 7.154 1.00 0.00 WAT1 ATOM 1973 OH2 TIP3 156 -31.836 33.100 10.161 1.00 0.00 WAT1 ATOM 1974 H1 TIP3 156 -31.166 33.221 10.865 1.00 0.00 WAT1 ATOM 1975 H2 TIP3 156 -31.794 33.944 9.648 1.00 0.00 WAT1 ATOM 1976 OH2 TIP3 157 -34.993 27.313 4.463 1.00 0.00 WAT1 ATOM 1977 H1 TIP3 157 -34.820 28.138 3.955 1.00 0.00 WAT1 ATOM 1978 H2 TIP3 157 -34.461 27.416 5.274 1.00 0.00 WAT1 ATOM 1979 OH2 TIP3 158 -33.953 23.467 10.241 1.00 0.00 WAT1 ATOM 1980 H1 TIP3 158 -33.239 23.021 10.753 1.00 0.00 WAT1 ATOM 1981 H2 TIP3 158 -34.736 22.939 10.423 1.00 0.00 WAT1 ATOM 1982 OH2 TIP3 159 -28.033 26.010 8.670 1.00 0.00 WAT1 ATOM 1983 H1 TIP3 159 -29.005 25.998 8.786 1.00 0.00 WAT1 ATOM 1984 H2 TIP3 159 -27.688 26.169 9.577 1.00 0.00 WAT1 ATOM 1985 OH2 TIP3 160 -28.916 34.047 14.700 1.00 0.00 WAT1 ATOM 1986 H1 TIP3 160 -28.953 33.811 15.651 1.00 0.00 WAT1 ATOM 1987 H2 TIP3 160 -28.470 34.914 14.691 1.00 0.00 WAT1 ATOM 1988 OH2 TIP3 161 -32.717 35.645 0.835 1.00 0.00 WAT1 ATOM 1989 H1 TIP3 161 -32.726 34.717 1.158 1.00 0.00 WAT1 ATOM 1990 H2 TIP3 161 -33.548 36.026 1.189 1.00 0.00 WAT1 ATOM 1991 OH2 TIP3 162 -24.867 34.689 3.428 1.00 0.00 WAT1 ATOM 1992 H1 TIP3 162 -24.541 35.603 3.493 1.00 0.00 WAT1 ATOM 1993 H2 TIP3 162 -24.179 34.221 2.912 1.00 0.00 WAT1 ATOM 1994 OH2 TIP3 163 -29.972 26.047 15.889 1.00 0.00 WAT1 ATOM 1995 H1 TIP3 163 -29.642 25.875 16.793 1.00 0.00 WAT1 ATOM 1996 H2 TIP3 163 -30.885 25.744 15.910 1.00 0.00 WAT1 ATOM 1997 OH2 TIP3 164 -34.345 29.549 2.924 1.00 0.00 WAT1 ATOM 1998 H1 TIP3 164 -33.822 30.221 3.403 1.00 0.00 WAT1 ATOM 1999 H2 TIP3 164 -34.738 30.043 2.179 1.00 0.00 WAT1 ATOM 2000 OH2 TIP3 165 -37.156 26.443 3.014 1.00 0.00 WAT1 ATOM 2001 H1 TIP3 165 -36.441 26.767 3.602 1.00 0.00 WAT1 ATOM 2002 H2 TIP3 165 -37.965 26.750 3.433 1.00 0.00 WAT1 ATOM 2003 OH2 TIP3 166 -24.508 34.961 17.426 1.00 0.00 WAT1 ATOM 2004 H1 TIP3 166 -24.914 34.091 17.588 1.00 0.00 WAT1 ATOM 2005 H2 TIP3 166 -24.826 35.216 16.538 1.00 0.00 WAT1 ATOM 2006 OH2 TIP3 167 -27.981 28.402 18.268 1.00 0.00 WAT1 ATOM 2007 H1 TIP3 167 -28.238 29.214 17.779 1.00 0.00 WAT1 ATOM 2008 H2 TIP3 167 -27.064 28.219 17.969 1.00 0.00 WAT1 ATOM 2009 OH2 TIP3 168 -26.634 25.374 16.768 1.00 0.00 WAT1 ATOM 2010 H1 TIP3 168 -26.029 26.032 17.168 1.00 0.00 WAT1 ATOM 2011 H2 TIP3 168 -27.441 25.438 17.311 1.00 0.00 WAT1 ATOM 2012 OH2 TIP3 169 -28.159 24.507 2.287 1.00 0.00 WAT1 ATOM 2013 H1 TIP3 169 -27.898 24.741 1.373 1.00 0.00 WAT1 ATOM 2014 H2 TIP3 169 -27.319 24.504 2.776 1.00 0.00 WAT1 ATOM 2015 OH2 TIP3 170 -30.105 28.693 9.286 1.00 0.00 WAT1 ATOM 2016 H1 TIP3 170 -29.552 28.526 10.075 1.00 0.00 WAT1 ATOM 2017 H2 TIP3 170 -30.353 27.803 8.977 1.00 0.00 WAT1 ATOM 2018 OH2 TIP3 171 -30.379 23.307 13.586 1.00 0.00 WAT1 ATOM 2019 H1 TIP3 171 -29.949 24.082 13.968 1.00 0.00 WAT1 ATOM 2020 H2 TIP3 171 -29.782 22.564 13.813 1.00 0.00 WAT1 ATOM 2021 OH2 TIP3 172 -27.790 36.887 10.252 1.00 0.00 WAT1 ATOM 2022 H1 TIP3 172 -26.913 36.467 10.381 1.00 0.00 WAT1 ATOM 2023 H2 TIP3 172 -28.031 37.209 11.146 1.00 0.00 WAT1 ATOM 2024 OH2 TIP3 173 -33.986 34.253 17.884 1.00 0.00 WAT1 ATOM 2025 H1 TIP3 173 -34.647 34.912 17.665 1.00 0.00 WAT1 ATOM 2026 H2 TIP3 173 -33.143 34.642 17.566 1.00 0.00 WAT1 ATOM 2027 OH2 TIP3 174 -31.616 35.160 16.868 1.00 0.00 WAT1 ATOM 2028 H1 TIP3 174 -30.768 34.777 17.175 1.00 0.00 WAT1 ATOM 2029 H2 TIP3 174 -31.757 34.749 15.980 1.00 0.00 WAT1 ATOM 2030 OH2 TIP3 175 -30.285 16.153 12.689 1.00 0.00 WAT1 ATOM 2031 H1 TIP3 175 -30.950 15.522 12.400 1.00 0.00 WAT1 ATOM 2032 H2 TIP3 175 -30.136 15.928 13.634 1.00 0.00 WAT1 ATOM 2033 OH2 TIP3 176 -28.803 21.026 14.064 1.00 0.00 WAT1 ATOM 2034 H1 TIP3 176 -28.976 20.857 15.013 1.00 0.00 WAT1 ATOM 2035 H2 TIP3 176 -28.082 20.398 13.841 1.00 0.00 WAT1 ATOM 2036 OH2 TIP3 177 -27.748 20.569 9.123 1.00 0.00 WAT1 ATOM 2037 H1 TIP3 177 -27.706 19.587 9.143 1.00 0.00 WAT1 ATOM 2038 H2 TIP3 177 -28.195 20.804 9.963 1.00 0.00 WAT1 ATOM 2039 OH2 TIP3 178 -29.948 15.308 15.281 1.00 0.00 WAT1 ATOM 2040 H1 TIP3 178 -29.093 15.348 15.723 1.00 0.00 WAT1 ATOM 2041 H2 TIP3 178 -30.499 14.787 15.874 1.00 0.00 WAT1 ATOM 2042 OH2 TIP3 179 -30.967 21.879 5.646 1.00 0.00 WAT1 ATOM 2043 H1 TIP3 179 -30.727 21.079 6.159 1.00 0.00 WAT1 ATOM 2044 H2 TIP3 179 -31.227 21.527 4.762 1.00 0.00 WAT1 ATOM 2045 OH2 TIP3 180 -36.370 22.158 4.235 1.00 0.00 WAT1 ATOM 2046 H1 TIP3 180 -37.302 22.361 4.370 1.00 0.00 WAT1 ATOM 2047 H2 TIP3 180 -35.940 22.429 5.083 1.00 0.00 WAT1 ATOM 2048 OH2 TIP3 181 -28.775 34.656 5.235 1.00 0.00 WAT1 ATOM 2049 H1 TIP3 181 -28.712 35.159 6.074 1.00 0.00 WAT1 ATOM 2050 H2 TIP3 181 -27.912 34.197 5.167 1.00 0.00 WAT1 ATOM 2051 OH2 TIP3 182 -25.162 36.202 10.681 1.00 0.00 WAT1 ATOM 2052 H1 TIP3 182 -24.503 35.524 10.414 1.00 0.00 WAT1 ATOM 2053 H2 TIP3 182 -24.751 37.053 10.423 1.00 0.00 WAT1 ATOM 2054 OH2 TIP3 183 -29.114 34.137 17.527 1.00 0.00 WAT1 ATOM 2055 H1 TIP3 183 -29.338 33.432 18.177 1.00 0.00 WAT1 ATOM 2056 H2 TIP3 183 -28.470 34.686 17.989 1.00 0.00 WAT1 ATOM 2057 OH2 TIP3 184 -29.477 32.261 19.449 1.00 0.00 WAT1 ATOM 2058 H1 TIP3 184 -30.303 31.998 19.878 1.00 0.00 WAT1 ATOM 2059 H2 TIP3 184 -28.780 32.032 20.104 1.00 0.00 WAT1 ATOM 2060 OH2 TIP3 185 -27.197 31.674 20.886 1.00 0.00 WAT1 ATOM 2061 H1 TIP3 185 -26.613 31.942 20.148 1.00 0.00 WAT1 ATOM 2062 H2 TIP3 185 -26.971 32.307 21.611 1.00 0.00 WAT1 ATOM 2063 OH2 TIP3 186 -28.159 26.210 21.044 1.00 0.00 WAT1 ATOM 2064 H1 TIP3 186 -27.827 27.127 21.056 1.00 0.00 WAT1 ATOM 2065 H2 TIP3 186 -27.895 25.851 21.894 1.00 0.00 WAT1 ATOM 2066 OH2 TIP3 187 -31.163 45.847 -23.781 1.00 0.00 WAT1 ATOM 2067 H1 TIP3 187 -31.654 46.697 -23.780 1.00 0.00 WAT1 ATOM 2068 H2 TIP3 187 -31.814 45.194 -23.431 1.00 0.00 WAT1 ATOM 2069 OH2 TIP3 188 -32.860 48.044 -23.689 1.00 0.00 WAT1 ATOM 2070 H1 TIP3 188 -33.210 48.348 -24.535 1.00 0.00 WAT1 ATOM 2071 H2 TIP3 188 -33.652 47.979 -23.110 1.00 0.00 WAT1 ATOM 2072 OH2 TIP3 189 -25.476 39.292 -19.073 1.00 0.00 WAT1 ATOM 2073 H1 TIP3 189 -25.218 39.686 -18.220 1.00 0.00 WAT1 ATOM 2074 H2 TIP3 189 -25.465 40.044 -19.699 1.00 0.00 WAT1 ATOM 2075 OH2 TIP3 190 -31.873 41.258 -24.869 1.00 0.00 WAT1 ATOM 2076 H1 TIP3 190 -32.738 41.703 -24.826 1.00 0.00 WAT1 ATOM 2077 H2 TIP3 190 -31.225 41.997 -24.892 1.00 0.00 WAT1 ATOM 2078 OH2 TIP3 191 -29.231 51.206 -22.626 1.00 0.00 WAT1 ATOM 2079 H1 TIP3 191 -28.996 51.653 -23.461 1.00 0.00 WAT1 ATOM 2080 H2 TIP3 191 -29.411 51.946 -22.009 1.00 0.00 WAT1 ATOM 2081 OH2 TIP3 192 -29.510 38.674 -22.371 1.00 0.00 WAT1 ATOM 2082 H1 TIP3 192 -30.152 38.678 -23.112 1.00 0.00 WAT1 ATOM 2083 H2 TIP3 192 -28.687 39.035 -22.761 1.00 0.00 WAT1 ATOM 2084 OH2 TIP3 193 -28.831 53.679 -23.866 1.00 0.00 WAT1 ATOM 2085 H1 TIP3 193 -29.049 53.743 -22.914 1.00 0.00 WAT1 ATOM 2086 H2 TIP3 193 -29.018 54.554 -24.211 1.00 0.00 WAT1 ATOM 2087 OH2 TIP3 194 -36.023 50.130 -17.128 1.00 0.00 WAT1 ATOM 2088 H1 TIP3 194 -36.873 50.578 -17.200 1.00 0.00 WAT1 ATOM 2089 H2 TIP3 194 -36.123 49.332 -17.698 1.00 0.00 WAT1 ATOM 2090 OH2 TIP3 195 -23.817 53.239 -16.580 1.00 0.00 WAT1 ATOM 2091 H1 TIP3 195 -23.792 52.462 -17.181 1.00 0.00 WAT1 ATOM 2092 H2 TIP3 195 -22.881 53.452 -16.427 1.00 0.00 WAT1 ATOM 2093 OH2 TIP3 196 -30.382 55.828 -19.821 1.00 0.00 WAT1 ATOM 2094 H1 TIP3 196 -29.860 56.634 -19.835 1.00 0.00 WAT1 ATOM 2095 H2 TIP3 196 -30.909 55.898 -18.997 1.00 0.00 WAT1 ATOM 2096 OH2 TIP3 197 -32.406 41.790 -21.295 1.00 0.00 WAT1 ATOM 2097 H1 TIP3 197 -32.576 40.827 -21.372 1.00 0.00 WAT1 ATOM 2098 H2 TIP3 197 -33.165 42.127 -20.774 1.00 0.00 WAT1 ATOM 2099 OH2 TIP3 198 -32.920 43.899 -22.992 1.00 0.00 WAT1 ATOM 2100 H1 TIP3 198 -32.570 43.172 -22.428 1.00 0.00 WAT1 ATOM 2101 H2 TIP3 198 -33.473 43.437 -23.659 1.00 0.00 WAT1 ATOM 2102 OH2 TIP3 199 -31.729 38.724 -24.005 1.00 0.00 WAT1 ATOM 2103 H1 TIP3 199 -31.733 39.651 -24.355 1.00 0.00 WAT1 ATOM 2104 H2 TIP3 199 -31.962 38.183 -24.767 1.00 0.00 WAT1 ATOM 2105 OH2 TIP3 200 -27.435 53.402 -17.295 1.00 0.00 WAT1 ATOM 2106 H1 TIP3 200 -27.679 53.979 -16.543 1.00 0.00 WAT1 ATOM 2107 H2 TIP3 200 -26.496 53.229 -17.164 1.00 0.00 WAT1 ATOM 2108 OH2 TIP3 201 -28.329 46.936 -20.989 1.00 0.00 WAT1 ATOM 2109 H1 TIP3 201 -27.898 47.810 -21.152 1.00 0.00 WAT1 ATOM 2110 H2 TIP3 201 -28.269 46.477 -21.855 1.00 0.00 WAT1 ATOM 2111 OH2 TIP3 202 -33.478 49.179 -20.159 1.00 0.00 WAT1 ATOM 2112 H1 TIP3 202 -33.544 49.938 -19.528 1.00 0.00 WAT1 ATOM 2113 H2 TIP3 202 -32.682 49.381 -20.691 1.00 0.00 WAT1 ATOM 2114 OH2 TIP3 203 -36.251 47.824 -18.660 1.00 0.00 WAT1 ATOM 2115 H1 TIP3 203 -36.483 47.355 -19.466 1.00 0.00 WAT1 ATOM 2116 H2 TIP3 203 -35.913 47.120 -18.064 1.00 0.00 WAT1 ATOM 2117 OH2 TIP3 204 -29.621 53.559 -21.191 1.00 0.00 WAT1 ATOM 2118 H1 TIP3 204 -29.962 54.441 -20.922 1.00 0.00 WAT1 ATOM 2119 H2 TIP3 204 -29.517 53.081 -20.340 1.00 0.00 WAT1 ATOM 2120 OH2 TIP3 205 -28.446 45.642 -23.386 1.00 0.00 WAT1 ATOM 2121 H1 TIP3 205 -29.396 45.816 -23.564 1.00 0.00 WAT1 ATOM 2122 H2 TIP3 205 -28.358 44.688 -23.489 1.00 0.00 WAT1 ATOM 2123 OH2 TIP3 206 -35.036 47.949 -21.972 1.00 0.00 WAT1 ATOM 2124 H1 TIP3 206 -35.848 48.463 -22.049 1.00 0.00 WAT1 ATOM 2125 H2 TIP3 206 -34.549 48.377 -21.223 1.00 0.00 WAT1 ATOM 2126 OH2 TIP3 207 -29.542 52.417 -18.734 1.00 0.00 WAT1 ATOM 2127 H1 TIP3 207 -30.373 52.684 -18.284 1.00 0.00 WAT1 ATOM 2128 H2 TIP3 207 -28.828 52.789 -18.165 1.00 0.00 WAT1 ATOM 2129 OH2 TIP3 208 -29.697 40.889 -20.746 1.00 0.00 WAT1 ATOM 2130 H1 TIP3 208 -29.668 40.063 -21.267 1.00 0.00 WAT1 ATOM 2131 H2 TIP3 208 -30.554 41.288 -20.978 1.00 0.00 WAT1 ATOM 2132 OH2 TIP3 209 -34.408 42.456 -24.786 1.00 0.00 WAT1 ATOM 2133 H1 TIP3 209 -34.695 42.739 -25.664 1.00 0.00 WAT1 ATOM 2134 H2 TIP3 209 -35.138 41.913 -24.459 1.00 0.00 WAT1 ATOM 2135 OH2 TIP3 210 -30.302 43.536 -25.032 1.00 0.00 WAT1 ATOM 2136 H1 TIP3 210 -30.611 44.388 -24.665 1.00 0.00 WAT1 ATOM 2137 H2 TIP3 210 -29.848 43.779 -25.843 1.00 0.00 WAT1 ATOM 2138 OH2 TIP3 211 -30.354 49.948 -19.401 1.00 0.00 WAT1 ATOM 2139 H1 TIP3 211 -30.651 49.944 -20.337 1.00 0.00 WAT1 ATOM 2140 H2 TIP3 211 -29.974 50.850 -19.275 1.00 0.00 WAT1 ATOM 2141 OH2 TIP3 212 -33.595 51.038 -18.231 1.00 0.00 WAT1 ATOM 2142 H1 TIP3 212 -33.119 51.797 -17.847 1.00 0.00 WAT1 ATOM 2143 H2 TIP3 212 -34.389 50.941 -17.671 1.00 0.00 WAT1 ATOM 2144 OH2 TIP3 213 -36.818 43.271 -18.480 1.00 0.00 WAT1 ATOM 2145 H1 TIP3 213 -37.751 43.290 -18.727 1.00 0.00 WAT1 ATOM 2146 H2 TIP3 213 -36.829 43.062 -17.520 1.00 0.00 WAT1 ATOM 2147 OH2 TIP3 214 -34.698 42.848 -20.123 1.00 0.00 WAT1 ATOM 2148 H1 TIP3 214 -35.487 42.947 -19.542 1.00 0.00 WAT1 ATOM 2149 H2 TIP3 214 -34.563 43.753 -20.490 1.00 0.00 WAT1 ATOM 2150 OH2 TIP3 215 -34.405 45.324 -21.213 1.00 0.00 WAT1 ATOM 2151 H1 TIP3 215 -33.891 44.940 -21.954 1.00 0.00 WAT1 ATOM 2152 H2 TIP3 215 -34.678 46.202 -21.539 1.00 0.00 WAT1 ATOM 2153 OH2 TIP3 216 -39.401 43.087 -15.102 1.00 0.00 WAT1 ATOM 2154 H1 TIP3 216 -40.254 43.525 -15.191 1.00 0.00 WAT1 ATOM 2155 H2 TIP3 216 -38.993 43.513 -14.304 1.00 0.00 WAT1 ATOM 2156 OH2 TIP3 217 -37.378 39.428 -18.637 1.00 0.00 WAT1 ATOM 2157 H1 TIP3 217 -36.499 39.587 -19.042 1.00 0.00 WAT1 ATOM 2158 H2 TIP3 217 -37.899 39.041 -19.346 1.00 0.00 WAT1 ATOM 2159 OH2 TIP3 218 -35.150 40.711 -16.756 1.00 0.00 WAT1 ATOM 2160 H1 TIP3 218 -35.650 41.519 -16.504 1.00 0.00 WAT1 ATOM 2161 H2 TIP3 218 -35.197 40.693 -17.731 1.00 0.00 WAT1 ATOM 2162 OH2 TIP3 219 -26.353 51.116 -19.464 1.00 0.00 WAT1 ATOM 2163 H1 TIP3 219 -25.419 51.114 -19.159 1.00 0.00 WAT1 ATOM 2164 H2 TIP3 219 -26.633 52.037 -19.369 1.00 0.00 WAT1 ATOM 2165 OH2 TIP3 220 -27.395 49.432 -21.410 1.00 0.00 WAT1 ATOM 2166 H1 TIP3 220 -26.917 50.030 -20.800 1.00 0.00 WAT1 ATOM 2167 H2 TIP3 220 -27.950 50.031 -21.944 1.00 0.00 WAT1 ATOM 2168 OH2 TIP3 221 -31.286 49.497 -21.898 1.00 0.00 WAT1 ATOM 2169 H1 TIP3 221 -30.570 50.029 -22.317 1.00 0.00 WAT1 ATOM 2170 H2 TIP3 221 -31.719 49.046 -22.651 1.00 0.00 WAT1 ATOM 2171 OH2 TIP3 222 -25.457 42.995 -23.041 1.00 0.00 WAT1 ATOM 2172 H1 TIP3 222 -24.724 42.905 -23.683 1.00 0.00 WAT1 ATOM 2173 H2 TIP3 222 -25.622 43.959 -23.009 1.00 0.00 WAT1 ATOM 2174 OH2 TIP3 223 -31.649 56.165 -17.397 1.00 0.00 WAT1 ATOM 2175 H1 TIP3 223 -31.244 55.740 -16.610 1.00 0.00 WAT1 ATOM 2176 H2 TIP3 223 -32.133 56.917 -17.038 1.00 0.00 WAT1 ATOM 2177 OH2 TIP3 224 -30.517 54.550 -15.442 1.00 0.00 WAT1 ATOM 2178 H1 TIP3 224 -29.566 54.654 -15.216 1.00 0.00 WAT1 ATOM 2179 H2 TIP3 224 -30.845 53.890 -14.799 1.00 0.00 WAT1 ATOM 2180 OH2 TIP3 225 -26.923 35.211 -14.237 1.00 0.00 WAT1 ATOM 2181 H1 TIP3 225 -27.275 34.935 -15.104 1.00 0.00 WAT1 ATOM 2182 H2 TIP3 225 -26.026 35.577 -14.446 1.00 0.00 WAT1 ATOM 2183 OH2 TIP3 226 -27.020 39.911 -22.966 1.00 0.00 WAT1 ATOM 2184 H1 TIP3 226 -26.899 40.717 -23.487 1.00 0.00 WAT1 ATOM 2185 H2 TIP3 226 -26.662 40.141 -22.091 1.00 0.00 WAT1 ATOM 2186 OH2 TIP3 227 -35.437 43.760 -13.641 1.00 0.00 WAT1 ATOM 2187 H1 TIP3 227 -34.630 43.438 -13.185 1.00 0.00 WAT1 ATOM 2188 H2 TIP3 227 -35.207 44.678 -13.913 1.00 0.00 WAT1 ATOM 2189 OH2 TIP3 228 -27.332 49.490 -17.439 1.00 0.00 WAT1 ATOM 2190 H1 TIP3 228 -27.129 50.047 -18.224 1.00 0.00 WAT1 ATOM 2191 H2 TIP3 228 -26.583 49.661 -16.825 1.00 0.00 WAT1 ATOM 2192 OH2 TIP3 229 -29.132 51.411 -14.592 1.00 0.00 WAT1 ATOM 2193 H1 TIP3 229 -29.962 51.837 -14.307 1.00 0.00 WAT1 ATOM 2194 H2 TIP3 229 -29.385 50.912 -15.396 1.00 0.00 WAT1 ATOM 2195 OH2 TIP3 230 -29.793 40.964 -4.807 1.00 0.00 WAT1 ATOM 2196 H1 TIP3 230 -30.649 40.528 -4.729 1.00 0.00 WAT1 ATOM 2197 H2 TIP3 230 -29.373 40.532 -5.575 1.00 0.00 WAT1 ATOM 2198 OH2 TIP3 231 -28.405 39.409 -6.622 1.00 0.00 WAT1 ATOM 2199 H1 TIP3 231 -27.445 39.237 -6.691 1.00 0.00 WAT1 ATOM 2200 H2 TIP3 231 -28.719 38.728 -5.998 1.00 0.00 WAT1 ATOM 2201 OH2 TIP3 232 -35.525 35.885 -5.480 1.00 0.00 WAT1 ATOM 2202 H1 TIP3 232 -36.459 36.061 -5.337 1.00 0.00 WAT1 ATOM 2203 H2 TIP3 232 -35.276 36.491 -6.213 1.00 0.00 WAT1 ATOM 2204 OH2 TIP3 233 -32.337 49.419 -15.554 1.00 0.00 WAT1 ATOM 2205 H1 TIP3 233 -32.738 48.963 -16.336 1.00 0.00 WAT1 ATOM 2206 H2 TIP3 233 -31.428 49.640 -15.853 1.00 0.00 WAT1 ATOM 2207 OH2 TIP3 234 -32.118 47.191 -13.872 1.00 0.00 WAT1 ATOM 2208 H1 TIP3 234 -32.149 47.835 -14.609 1.00 0.00 WAT1 ATOM 2209 H2 TIP3 234 -32.157 47.739 -13.081 1.00 0.00 WAT1 ATOM 2210 OH2 TIP3 235 -31.265 44.568 -13.800 1.00 0.00 WAT1 ATOM 2211 H1 TIP3 235 -31.500 45.520 -13.836 1.00 0.00 WAT1 ATOM 2212 H2 TIP3 235 -30.404 44.518 -14.261 1.00 0.00 WAT1 ATOM 2213 OH2 TIP3 236 -24.072 46.372 -4.489 1.00 0.00 WAT1 ATOM 2214 H1 TIP3 236 -23.490 46.888 -3.890 1.00 0.00 WAT1 ATOM 2215 H2 TIP3 236 -23.736 45.455 -4.416 1.00 0.00 WAT1 ATOM 2216 OH2 TIP3 237 -28.743 44.540 -15.016 1.00 0.00 WAT1 ATOM 2217 H1 TIP3 237 -28.179 44.329 -14.235 1.00 0.00 WAT1 ATOM 2218 H2 TIP3 237 -28.536 43.825 -15.656 1.00 0.00 WAT1 ATOM 2219 OH2 TIP3 238 -27.450 41.764 -3.633 1.00 0.00 WAT1 ATOM 2220 H1 TIP3 238 -28.342 41.515 -3.966 1.00 0.00 WAT1 ATOM 2221 H2 TIP3 238 -27.035 42.233 -4.391 1.00 0.00 WAT1 ATOM 2222 OH2 TIP3 239 -25.484 47.551 -17.999 1.00 0.00 WAT1 ATOM 2223 H1 TIP3 239 -26.243 48.141 -17.835 1.00 0.00 WAT1 ATOM 2224 H2 TIP3 239 -25.876 46.780 -18.459 1.00 0.00 WAT1 ATOM 2225 OH2 TIP3 240 -31.862 53.207 -17.459 1.00 0.00 WAT1 ATOM 2226 H1 TIP3 240 -31.396 53.597 -16.690 1.00 0.00 WAT1 ATOM 2227 H2 TIP3 240 -32.191 53.977 -17.948 1.00 0.00 WAT1 ATOM 2228 OH2 TIP3 241 -26.852 40.090 -1.602 1.00 0.00 WAT1 ATOM 2229 H1 TIP3 241 -27.159 40.681 -2.323 1.00 0.00 WAT1 ATOM 2230 H2 TIP3 241 -27.404 39.284 -1.704 1.00 0.00 WAT1 ATOM 2231 OH2 TIP3 242 -32.062 36.341 -2.337 1.00 0.00 WAT1 ATOM 2232 H1 TIP3 242 -31.272 36.331 -1.767 1.00 0.00 WAT1 ATOM 2233 H2 TIP3 242 -32.794 36.171 -1.724 1.00 0.00 WAT1 ATOM 2234 OH2 TIP3 243 -28.447 37.932 -2.170 1.00 0.00 WAT1 ATOM 2235 H1 TIP3 243 -29.021 37.336 -1.665 1.00 0.00 WAT1 ATOM 2236 H2 TIP3 243 -28.663 37.746 -3.100 1.00 0.00 WAT1 ATOM 2237 OH2 TIP3 244 -38.402 42.751 -10.653 1.00 0.00 WAT1 ATOM 2238 H1 TIP3 244 -38.781 42.541 -9.797 1.00 0.00 WAT1 ATOM 2239 H2 TIP3 244 -38.031 41.901 -10.968 1.00 0.00 WAT1 ATOM 2240 OH2 TIP3 245 -33.080 43.096 -12.399 1.00 0.00 WAT1 ATOM 2241 H1 TIP3 245 -32.894 43.493 -11.541 1.00 0.00 WAT1 ATOM 2242 H2 TIP3 245 -32.426 43.520 -13.005 1.00 0.00 WAT1 ATOM 2243 OH2 TIP3 246 -36.724 42.744 -15.825 1.00 0.00 WAT1 ATOM 2244 H1 TIP3 246 -37.675 42.773 -15.580 1.00 0.00 WAT1 ATOM 2245 H2 TIP3 246 -36.259 43.065 -15.016 1.00 0.00 WAT1 ATOM 2246 OH2 TIP3 247 -33.896 40.601 -11.430 1.00 0.00 WAT1 ATOM 2247 H1 TIP3 247 -33.659 41.444 -11.870 1.00 0.00 WAT1 ATOM 2248 H2 TIP3 247 -33.218 40.507 -10.713 1.00 0.00 WAT1 ATOM 2249 OH2 TIP3 248 -37.177 40.480 -11.622 1.00 0.00 WAT1 ATOM 2250 H1 TIP3 248 -37.807 40.409 -12.382 1.00 0.00 WAT1 ATOM 2251 H2 TIP3 248 -36.347 40.763 -12.030 1.00 0.00 WAT1 ATOM 2252 OH2 TIP3 249 -32.480 38.502 -7.194 1.00 0.00 WAT1 ATOM 2253 H1 TIP3 249 -32.082 37.730 -7.657 1.00 0.00 WAT1 ATOM 2254 H2 TIP3 249 -32.180 38.403 -6.264 1.00 0.00 WAT1 ATOM 2255 OH2 TIP3 250 -34.670 46.231 -14.508 1.00 0.00 WAT1 ATOM 2256 H1 TIP3 250 -35.069 47.133 -14.517 1.00 0.00 WAT1 ATOM 2257 H2 TIP3 250 -33.751 46.386 -14.214 1.00 0.00 WAT1 ATOM 2258 OH2 TIP3 251 -32.131 40.217 -9.398 1.00 0.00 WAT1 ATOM 2259 H1 TIP3 251 -32.339 39.695 -8.596 1.00 0.00 WAT1 ATOM 2260 H2 TIP3 251 -31.210 40.522 -9.251 1.00 0.00 WAT1 ATOM 2261 OH2 TIP3 252 -38.091 44.057 -13.018 1.00 0.00 WAT1 ATOM 2262 H1 TIP3 252 -38.260 43.739 -12.103 1.00 0.00 WAT1 ATOM 2263 H2 TIP3 252 -37.118 44.032 -13.103 1.00 0.00 WAT1 ATOM 2264 OH2 TIP3 253 -29.859 47.441 -4.354 1.00 0.00 WAT1 ATOM 2265 H1 TIP3 253 -29.400 48.131 -3.862 1.00 0.00 WAT1 ATOM 2266 H2 TIP3 253 -30.764 47.764 -4.430 1.00 0.00 WAT1 ATOM 2267 OH2 TIP3 254 -35.009 48.931 -14.814 1.00 0.00 WAT1 ATOM 2268 H1 TIP3 254 -34.092 49.217 -14.958 1.00 0.00 WAT1 ATOM 2269 H2 TIP3 254 -35.510 49.366 -15.531 1.00 0.00 WAT1 ATOM 2270 OH2 TIP3 255 -25.150 49.899 -15.779 1.00 0.00 WAT1 ATOM 2271 H1 TIP3 255 -25.693 50.256 -15.043 1.00 0.00 WAT1 ATOM 2272 H2 TIP3 255 -24.250 49.815 -15.388 1.00 0.00 WAT1 ATOM 2273 OH2 TIP3 256 -28.209 45.270 -4.710 1.00 0.00 WAT1 ATOM 2274 H1 TIP3 256 -28.740 46.098 -4.692 1.00 0.00 WAT1 ATOM 2275 H2 TIP3 256 -28.852 44.573 -4.526 1.00 0.00 WAT1 ATOM 2276 OH2 TIP3 257 -26.596 51.111 -13.803 1.00 0.00 WAT1 ATOM 2277 H1 TIP3 257 -27.551 51.219 -14.039 1.00 0.00 WAT1 ATOM 2278 H2 TIP3 257 -26.225 52.014 -13.898 1.00 0.00 WAT1 ATOM 2279 OH2 TIP3 258 -29.370 46.808 -16.420 1.00 0.00 WAT1 ATOM 2280 H1 TIP3 258 -29.147 46.003 -15.900 1.00 0.00 WAT1 ATOM 2281 H2 TIP3 258 -29.136 47.540 -15.836 1.00 0.00 WAT1 ATOM 2282 OH2 TIP3 259 -31.670 52.345 -14.136 1.00 0.00 WAT1 ATOM 2283 H1 TIP3 259 -32.189 52.419 -13.325 1.00 0.00 WAT1 ATOM 2284 H2 TIP3 259 -32.150 51.687 -14.667 1.00 0.00 WAT1 ATOM 2285 OH2 TIP3 260 -31.452 37.873 -4.704 1.00 0.00 WAT1 ATOM 2286 H1 TIP3 260 -30.494 37.710 -4.653 1.00 0.00 WAT1 ATOM 2287 H2 TIP3 260 -31.814 37.407 -3.923 1.00 0.00 WAT1 ATOM 2288 OH2 TIP3 261 -34.097 38.165 -12.678 1.00 0.00 WAT1 ATOM 2289 H1 TIP3 261 -33.143 37.933 -12.625 1.00 0.00 WAT1 ATOM 2290 H2 TIP3 261 -34.138 39.081 -12.331 1.00 0.00 WAT1 ATOM 2291 OH2 TIP3 262 -29.542 40.921 -8.659 1.00 0.00 WAT1 ATOM 2292 H1 TIP3 262 -29.133 41.759 -8.429 1.00 0.00 WAT1 ATOM 2293 H2 TIP3 262 -29.152 40.282 -8.027 1.00 0.00 WAT1 ATOM 2294 OH2 TIP3 263 -27.766 54.873 -14.972 1.00 0.00 WAT1 ATOM 2295 H1 TIP3 263 -27.485 55.776 -14.785 1.00 0.00 WAT1 ATOM 2296 H2 TIP3 263 -27.026 54.318 -14.634 1.00 0.00 WAT1 ATOM 2297 OH2 TIP3 264 -29.905 49.873 -16.711 1.00 0.00 WAT1 ATOM 2298 H1 TIP3 264 -28.961 49.666 -16.912 1.00 0.00 WAT1 ATOM 2299 H2 TIP3 264 -30.305 50.019 -17.593 1.00 0.00 WAT1 ATOM 2300 OH2 TIP3 265 -33.302 47.930 -17.580 1.00 0.00 WAT1 ATOM 2301 H1 TIP3 265 -33.931 47.189 -17.462 1.00 0.00 WAT1 ATOM 2302 H2 TIP3 265 -33.575 48.343 -18.422 1.00 0.00 WAT1 ATOM 2303 OH2 TIP3 266 -35.122 45.830 -17.193 1.00 0.00 WAT1 ATOM 2304 H1 TIP3 266 -35.059 45.834 -16.211 1.00 0.00 WAT1 ATOM 2305 H2 TIP3 266 -35.347 44.913 -17.412 1.00 0.00 WAT1 ATOM 2306 OH2 TIP3 267 -28.233 42.691 4.357 1.00 0.00 WAT1 ATOM 2307 H1 TIP3 267 -28.560 43.416 3.818 1.00 0.00 WAT1 ATOM 2308 H2 TIP3 267 -28.702 41.901 4.009 1.00 0.00 WAT1 ATOM 2309 OH2 TIP3 268 -29.798 39.257 0.841 1.00 0.00 WAT1 ATOM 2310 H1 TIP3 268 -29.853 38.368 0.449 1.00 0.00 WAT1 ATOM 2311 H2 TIP3 268 -30.656 39.676 0.609 1.00 0.00 WAT1 ATOM 2312 OH2 TIP3 269 -32.331 40.338 0.575 1.00 0.00 WAT1 ATOM 2313 H1 TIP3 269 -32.697 41.218 0.707 1.00 0.00 WAT1 ATOM 2314 H2 TIP3 269 -33.101 39.778 0.435 1.00 0.00 WAT1 ATOM 2315 OH2 TIP3 270 -25.992 49.069 -12.054 1.00 0.00 WAT1 ATOM 2316 H1 TIP3 270 -26.282 49.719 -12.735 1.00 0.00 WAT1 ATOM 2317 H2 TIP3 270 -26.633 49.172 -11.341 1.00 0.00 WAT1 ATOM 2318 OH2 TIP3 271 -23.308 48.725 -9.585 1.00 0.00 WAT1 ATOM 2319 H1 TIP3 271 -23.688 48.447 -8.731 1.00 0.00 WAT1 ATOM 2320 H2 TIP3 271 -22.575 49.337 -9.331 1.00 0.00 WAT1 ATOM 2321 OH2 TIP3 272 -27.127 43.988 -12.878 1.00 0.00 WAT1 ATOM 2322 H1 TIP3 272 -27.401 44.526 -12.129 1.00 0.00 WAT1 ATOM 2323 H2 TIP3 272 -26.220 43.700 -12.646 1.00 0.00 WAT1 ATOM 2324 OH2 TIP3 273 -26.163 45.500 -2.887 1.00 0.00 WAT1 ATOM 2325 H1 TIP3 273 -25.480 45.965 -3.408 1.00 0.00 WAT1 ATOM 2326 H2 TIP3 273 -26.954 45.517 -3.462 1.00 0.00 WAT1 ATOM 2327 OH2 TIP3 274 -23.827 43.610 0.977 1.00 0.00 WAT1 ATOM 2328 H1 TIP3 274 -23.485 44.224 0.281 1.00 0.00 WAT1 ATOM 2329 H2 TIP3 274 -23.575 44.030 1.804 1.00 0.00 WAT1 ATOM 2330 OH2 TIP3 275 -26.163 43.414 -5.357 1.00 0.00 WAT1 ATOM 2331 H1 TIP3 275 -26.698 44.227 -5.284 1.00 0.00 WAT1 ATOM 2332 H2 TIP3 275 -25.267 43.694 -5.116 1.00 0.00 WAT1 ATOM 2333 OH2 TIP3 276 -35.095 37.664 -7.517 1.00 0.00 WAT1 ATOM 2334 H1 TIP3 276 -35.416 38.211 -8.263 1.00 0.00 WAT1 ATOM 2335 H2 TIP3 276 -34.201 38.023 -7.329 1.00 0.00 WAT1 ATOM 2336 OH2 TIP3 277 -35.648 38.927 -9.925 1.00 0.00 WAT1 ATOM 2337 H1 TIP3 277 -34.884 39.441 -10.249 1.00 0.00 WAT1 ATOM 2338 H2 TIP3 277 -36.419 39.369 -10.339 1.00 0.00 WAT1 ATOM 2339 OH2 TIP3 278 -31.398 36.235 -8.238 1.00 0.00 WAT1 ATOM 2340 H1 TIP3 278 -30.921 36.111 -9.088 1.00 0.00 WAT1 ATOM 2341 H2 TIP3 278 -31.943 35.425 -8.153 1.00 0.00 WAT1 ATOM 2342 OH2 TIP3 279 -37.458 39.325 -15.911 1.00 0.00 WAT1 ATOM 2343 H1 TIP3 279 -36.634 39.839 -15.861 1.00 0.00 WAT1 ATOM 2344 H2 TIP3 279 -37.665 39.307 -16.871 1.00 0.00 WAT1 ATOM 2345 OH2 TIP3 280 -29.429 34.979 2.236 1.00 0.00 WAT1 ATOM 2346 H1 TIP3 280 -30.329 34.663 2.367 1.00 0.00 WAT1 ATOM 2347 H2 TIP3 280 -29.070 35.050 3.138 1.00 0.00 WAT1 ATOM 2348 OH2 TIP3 281 -29.416 39.043 18.205 1.00 0.00 WAT1 ATOM 2349 H1 TIP3 281 -30.099 39.230 18.860 1.00 0.00 WAT1 ATOM 2350 H2 TIP3 281 -29.131 39.934 17.895 1.00 0.00 WAT1 ATOM 2351 OH2 TIP3 282 -22.493 45.626 19.873 1.00 0.00 WAT1 ATOM 2352 H1 TIP3 282 -23.059 46.260 20.316 1.00 0.00 WAT1 ATOM 2353 H2 TIP3 282 -23.115 45.040 19.395 1.00 0.00 WAT1 ATOM 2354 OH2 TIP3 283 -30.264 37.420 16.034 1.00 0.00 WAT1 ATOM 2355 H1 TIP3 283 -30.169 38.011 16.802 1.00 0.00 WAT1 ATOM 2356 H2 TIP3 283 -30.919 36.753 16.323 1.00 0.00 WAT1 ATOM 2357 OH2 TIP3 284 -26.474 38.673 8.485 1.00 0.00 WAT1 ATOM 2358 H1 TIP3 284 -27.182 38.150 8.906 1.00 0.00 WAT1 ATOM 2359 H2 TIP3 284 -25.731 38.621 9.121 1.00 0.00 WAT1 ATOM 2360 OH2 TIP3 285 -29.345 40.412 3.312 1.00 0.00 WAT1 ATOM 2361 H1 TIP3 285 -29.632 40.034 2.449 1.00 0.00 WAT1 ATOM 2362 H2 TIP3 285 -29.493 39.697 3.943 1.00 0.00 WAT1 ATOM 2363 OH2 TIP3 286 -26.057 41.682 5.639 1.00 0.00 WAT1 ATOM 2364 H1 TIP3 286 -26.133 41.992 6.556 1.00 0.00 WAT1 ATOM 2365 H2 TIP3 286 -26.790 42.143 5.167 1.00 0.00 WAT1 ATOM 2366 OH2 TIP3 287 -25.534 42.964 -2.055 1.00 0.00 WAT1 ATOM 2367 H1 TIP3 287 -26.263 42.554 -2.569 1.00 0.00 WAT1 ATOM 2368 H2 TIP3 287 -25.751 43.924 -2.060 1.00 0.00 WAT1 ATOM 2369 OH2 TIP3 288 -25.200 42.963 10.338 1.00 0.00 WAT1 ATOM 2370 H1 TIP3 288 -24.664 43.701 10.038 1.00 0.00 WAT1 ATOM 2371 H2 TIP3 288 -25.288 42.389 9.541 1.00 0.00 WAT1 ATOM 2372 OH2 TIP3 289 -27.270 40.570 1.463 1.00 0.00 WAT1 ATOM 2373 H1 TIP3 289 -27.922 40.199 0.841 1.00 0.00 WAT1 ATOM 2374 H2 TIP3 289 -27.748 40.605 2.310 1.00 0.00 WAT1 ATOM 2375 OH2 TIP3 290 -27.020 37.680 17.789 1.00 0.00 WAT1 ATOM 2376 H1 TIP3 290 -26.450 37.760 18.579 1.00 0.00 WAT1 ATOM 2377 H2 TIP3 290 -27.879 38.063 18.072 1.00 0.00 WAT1 ATOM 2378 OH2 TIP3 291 -25.355 41.195 8.306 1.00 0.00 WAT1 ATOM 2379 H1 TIP3 291 -25.885 40.374 8.332 1.00 0.00 WAT1 ATOM 2380 H2 TIP3 291 -24.584 40.963 7.748 1.00 0.00 WAT1 ATOM 2381 OH2 TIP3 292 -25.178 38.586 19.738 1.00 0.00 WAT1 ATOM 2382 H1 TIP3 292 -24.590 38.993 20.389 1.00 0.00 WAT1 ATOM 2383 H2 TIP3 292 -25.474 39.337 19.182 1.00 0.00 WAT1 ATOM 2384 OH2 TIP3 293 -27.813 36.578 15.448 1.00 0.00 WAT1 ATOM 2385 H1 TIP3 293 -28.769 36.836 15.517 1.00 0.00 WAT1 ATOM 2386 H2 TIP3 293 -27.419 36.918 16.288 1.00 0.00 WAT1 ATOM 2387 OH2 TIP3 294 -25.169 36.028 14.935 1.00 0.00 WAT1 ATOM 2388 H1 TIP3 294 -24.939 36.837 14.417 1.00 0.00 WAT1 ATOM 2389 H2 TIP3 294 -26.122 36.143 15.144 1.00 0.00 WAT1 ATOM 2390 OH2 TIP3 295 -24.636 38.879 10.505 1.00 0.00 WAT1 ATOM 2391 H1 TIP3 295 -25.202 39.570 10.922 1.00 0.00 WAT1 ATOM 2392 H2 TIP3 295 -23.740 39.289 10.486 1.00 0.00 WAT1 ATOM 2393 OH2 TIP3 296 -31.140 35.492 9.095 1.00 0.00 WAT1 ATOM 2394 H1 TIP3 296 -30.992 36.287 9.616 1.00 0.00 WAT1 ATOM 2395 H2 TIP3 296 -30.374 35.458 8.491 1.00 0.00 WAT1 ATOM 2396 OH2 TIP3 297 -14.198 20.446 -13.404 1.00 0.00 WAT1 ATOM 2397 H1 TIP3 297 -13.748 21.311 -13.277 1.00 0.00 WAT1 ATOM 2398 H2 TIP3 297 -13.564 19.792 -13.035 1.00 0.00 WAT1 ATOM 2399 OH2 TIP3 298 -13.085 16.459 -13.635 1.00 0.00 WAT1 ATOM 2400 H1 TIP3 298 -12.296 16.206 -14.128 1.00 0.00 WAT1 ATOM 2401 H2 TIP3 298 -12.832 17.304 -13.190 1.00 0.00 WAT1 ATOM 2402 OH2 TIP3 299 -15.501 8.628 -5.828 1.00 0.00 WAT1 ATOM 2403 H1 TIP3 299 -16.337 8.299 -5.435 1.00 0.00 WAT1 ATOM 2404 H2 TIP3 299 -15.611 8.460 -6.792 1.00 0.00 WAT1 ATOM 2405 OH2 TIP3 300 -12.046 12.675 -6.940 1.00 0.00 WAT1 ATOM 2406 H1 TIP3 300 -12.697 12.076 -6.517 1.00 0.00 WAT1 ATOM 2407 H2 TIP3 300 -11.687 12.155 -7.666 1.00 0.00 WAT1 ATOM 2408 OH2 TIP3 301 -27.738 13.585 -7.059 1.00 0.00 WAT1 ATOM 2409 H1 TIP3 301 -27.548 12.674 -6.736 1.00 0.00 WAT1 ATOM 2410 H2 TIP3 301 -28.402 13.916 -6.448 1.00 0.00 WAT1 ATOM 2411 OH2 TIP3 302 -23.205 10.822 -4.487 1.00 0.00 WAT1 ATOM 2412 H1 TIP3 302 -23.314 9.888 -4.273 1.00 0.00 WAT1 ATOM 2413 H2 TIP3 302 -22.309 10.878 -4.867 1.00 0.00 WAT1 ATOM 2414 OH2 TIP3 303 -16.205 8.323 -8.451 1.00 0.00 WAT1 ATOM 2415 H1 TIP3 303 -16.552 7.487 -8.777 1.00 0.00 WAT1 ATOM 2416 H2 TIP3 303 -16.652 8.998 -8.999 1.00 0.00 WAT1 ATOM 2417 OH2 TIP3 304 -20.965 5.463 -4.442 1.00 0.00 WAT1 ATOM 2418 H1 TIP3 304 -20.594 5.502 -5.344 1.00 0.00 WAT1 ATOM 2419 H2 TIP3 304 -21.471 6.294 -4.362 1.00 0.00 WAT1 ATOM 2420 OH2 TIP3 305 -22.152 7.979 -4.451 1.00 0.00 WAT1 ATOM 2421 H1 TIP3 305 -22.223 8.110 -5.422 1.00 0.00 WAT1 ATOM 2422 H2 TIP3 305 -21.304 8.436 -4.208 1.00 0.00 WAT1 ATOM 2423 OH2 TIP3 306 -21.732 8.894 -7.030 1.00 0.00 WAT1 ATOM 2424 H1 TIP3 306 -21.937 9.378 -7.850 1.00 0.00 WAT1 ATOM 2425 H2 TIP3 306 -21.273 9.564 -6.467 1.00 0.00 WAT1 ATOM 2426 OH2 TIP3 307 -5.283 6.980 1.311 1.00 0.00 WAT1 ATOM 2427 H1 TIP3 307 -5.606 7.903 1.241 1.00 0.00 WAT1 ATOM 2428 H2 TIP3 307 -6.082 6.463 1.543 1.00 0.00 WAT1 ATOM 2429 OH2 TIP3 308 -21.555 4.279 -2.079 1.00 0.00 WAT1 ATOM 2430 H1 TIP3 308 -22.488 4.578 -2.024 1.00 0.00 WAT1 ATOM 2431 H2 TIP3 308 -21.278 4.532 -2.993 1.00 0.00 WAT1 ATOM 2432 OH2 TIP3 309 -15.029 15.247 -6.748 1.00 0.00 WAT1 ATOM 2433 H1 TIP3 309 -16.006 15.187 -6.731 1.00 0.00 WAT1 ATOM 2434 H2 TIP3 309 -14.737 14.325 -6.706 1.00 0.00 WAT1 ATOM 2435 OH2 TIP3 310 -22.178 9.984 -1.473 1.00 0.00 WAT1 ATOM 2436 H1 TIP3 310 -22.837 9.263 -1.580 1.00 0.00 WAT1 ATOM 2437 H2 TIP3 310 -21.426 9.699 -2.016 1.00 0.00 WAT1 ATOM 2438 OH2 TIP3 311 -21.482 11.074 -8.931 1.00 0.00 WAT1 ATOM 2439 H1 TIP3 311 -21.702 11.722 -9.636 1.00 0.00 WAT1 ATOM 2440 H2 TIP3 311 -21.188 11.626 -8.191 1.00 0.00 WAT1 ATOM 2441 OH2 TIP3 312 -13.726 15.795 -11.033 1.00 0.00 WAT1 ATOM 2442 H1 TIP3 312 -12.854 15.927 -10.597 1.00 0.00 WAT1 ATOM 2443 H2 TIP3 312 -13.512 15.786 -11.987 1.00 0.00 WAT1 ATOM 2444 OH2 TIP3 313 -11.012 15.929 -3.061 1.00 0.00 WAT1 ATOM 2445 H1 TIP3 313 -11.593 16.114 -3.836 1.00 0.00 WAT1 ATOM 2446 H2 TIP3 313 -11.078 16.744 -2.512 1.00 0.00 WAT1 ATOM 2447 OH2 TIP3 314 -10.174 8.817 -0.475 1.00 0.00 WAT1 ATOM 2448 H1 TIP3 314 -11.059 9.119 -0.789 1.00 0.00 WAT1 ATOM 2449 H2 TIP3 314 -10.039 7.981 -0.927 1.00 0.00 WAT1 ATOM 2450 OH2 TIP3 315 -14.720 17.130 -8.781 1.00 0.00 WAT1 ATOM 2451 H1 TIP3 315 -14.495 16.562 -9.544 1.00 0.00 WAT1 ATOM 2452 H2 TIP3 315 -14.776 16.506 -8.028 1.00 0.00 WAT1 ATOM 2453 OH2 TIP3 316 -20.050 6.076 -9.542 1.00 0.00 WAT1 ATOM 2454 H1 TIP3 316 -20.247 5.667 -10.386 1.00 0.00 WAT1 ATOM 2455 H2 TIP3 316 -20.153 7.043 -9.711 1.00 0.00 WAT1 ATOM 2456 OH2 TIP3 317 -6.745 18.510 -10.049 1.00 0.00 WAT1 ATOM 2457 H1 TIP3 317 -6.179 18.457 -10.830 1.00 0.00 WAT1 ATOM 2458 H2 TIP3 317 -7.567 18.032 -10.316 1.00 0.00 WAT1 ATOM 2459 OH2 TIP3 318 -23.161 14.162 -3.373 1.00 0.00 WAT1 ATOM 2460 H1 TIP3 318 -23.461 13.501 -2.719 1.00 0.00 WAT1 ATOM 2461 H2 TIP3 318 -22.625 14.782 -2.852 1.00 0.00 WAT1 ATOM 2462 OH2 TIP3 319 -20.256 12.979 -6.889 1.00 0.00 WAT1 ATOM 2463 H1 TIP3 319 -20.359 12.199 -6.288 1.00 0.00 WAT1 ATOM 2464 H2 TIP3 319 -20.885 13.646 -6.525 1.00 0.00 WAT1 ATOM 2465 OH2 TIP3 320 -16.522 18.949 -13.550 1.00 0.00 WAT1 ATOM 2466 H1 TIP3 320 -16.371 18.362 -12.778 1.00 0.00 WAT1 ATOM 2467 H2 TIP3 320 -15.776 19.592 -13.512 1.00 0.00 WAT1 ATOM 2468 OH2 TIP3 321 -15.656 16.375 -14.707 1.00 0.00 WAT1 ATOM 2469 H1 TIP3 321 -14.712 16.340 -14.444 1.00 0.00 WAT1 ATOM 2470 H2 TIP3 321 -15.866 17.323 -14.713 1.00 0.00 WAT1 ATOM 2471 OH2 TIP3 322 -12.904 18.995 -9.642 1.00 0.00 WAT1 ATOM 2472 H1 TIP3 322 -13.035 19.929 -9.373 1.00 0.00 WAT1 ATOM 2473 H2 TIP3 322 -13.663 18.516 -9.235 1.00 0.00 WAT1 ATOM 2474 OH2 TIP3 323 -20.243 6.601 -6.886 1.00 0.00 WAT1 ATOM 2475 H1 TIP3 323 -20.139 6.197 -7.778 1.00 0.00 WAT1 ATOM 2476 H2 TIP3 323 -20.808 7.388 -7.047 1.00 0.00 WAT1 ATOM 2477 OH2 TIP3 324 -12.608 9.634 -1.381 1.00 0.00 WAT1 ATOM 2478 H1 TIP3 324 -12.749 10.585 -1.208 1.00 0.00 WAT1 ATOM 2479 H2 TIP3 324 -13.248 9.425 -2.097 1.00 0.00 WAT1 ATOM 2480 OH2 TIP3 325 -14.533 9.453 -3.369 1.00 0.00 WAT1 ATOM 2481 H1 TIP3 325 -15.412 9.471 -2.928 1.00 0.00 WAT1 ATOM 2482 H2 TIP3 325 -14.712 9.020 -4.228 1.00 0.00 WAT1 ATOM 2483 OH2 TIP3 326 -17.613 6.444 -1.685 1.00 0.00 WAT1 ATOM 2484 H1 TIP3 326 -17.722 6.011 -2.541 1.00 0.00 WAT1 ATOM 2485 H2 TIP3 326 -18.360 6.095 -1.143 1.00 0.00 WAT1 ATOM 2486 OH2 TIP3 327 -27.142 11.215 -5.838 1.00 0.00 WAT1 ATOM 2487 H1 TIP3 327 -27.053 10.343 -5.448 1.00 0.00 WAT1 ATOM 2488 H2 TIP3 327 -26.492 11.770 -5.344 1.00 0.00 WAT1 ATOM 2489 OH2 TIP3 328 -18.208 7.853 -5.542 1.00 0.00 WAT1 ATOM 2490 H1 TIP3 328 -18.787 8.240 -4.849 1.00 0.00 WAT1 ATOM 2491 H2 TIP3 328 -18.804 7.258 -6.046 1.00 0.00 WAT1 ATOM 2492 OH2 TIP3 329 -17.176 8.893 -2.860 1.00 0.00 WAT1 ATOM 2493 H1 TIP3 329 -18.073 9.184 -3.108 1.00 0.00 WAT1 ATOM 2494 H2 TIP3 329 -17.321 8.053 -2.386 1.00 0.00 WAT1 ATOM 2495 OH2 TIP3 330 -12.784 16.324 -5.135 1.00 0.00 WAT1 ATOM 2496 H1 TIP3 330 -12.837 17.278 -4.912 1.00 0.00 WAT1 ATOM 2497 H2 TIP3 330 -13.656 16.119 -5.528 1.00 0.00 WAT1 ATOM 2498 OH2 TIP3 331 -23.514 12.364 -0.985 1.00 0.00 WAT1 ATOM 2499 H1 TIP3 331 -23.123 11.514 -1.284 1.00 0.00 WAT1 ATOM 2500 H2 TIP3 331 -23.228 12.445 -0.059 1.00 0.00 WAT1 ATOM 2501 OH2 TIP3 332 -15.720 9.937 -0.048 1.00 0.00 WAT1 ATOM 2502 H1 TIP3 332 -14.925 10.259 0.417 1.00 0.00 WAT1 ATOM 2503 H2 TIP3 332 -15.659 8.965 0.022 1.00 0.00 WAT1 ATOM 2504 OH2 TIP3 333 -8.360 15.172 -2.534 1.00 0.00 WAT1 ATOM 2505 H1 TIP3 333 -9.294 15.450 -2.651 1.00 0.00 WAT1 ATOM 2506 H2 TIP3 333 -7.868 15.737 -3.143 1.00 0.00 WAT1 ATOM 2507 OH2 TIP3 334 -9.037 17.514 -11.127 1.00 0.00 WAT1 ATOM 2508 H1 TIP3 334 -9.421 18.283 -11.588 1.00 0.00 WAT1 ATOM 2509 H2 TIP3 334 -9.814 17.049 -10.749 1.00 0.00 WAT1 ATOM 2510 OH2 TIP3 335 -13.876 10.928 -5.781 1.00 0.00 WAT1 ATOM 2511 H1 TIP3 335 -14.304 10.108 -6.103 1.00 0.00 WAT1 ATOM 2512 H2 TIP3 335 -13.825 10.800 -4.816 1.00 0.00 WAT1 ATOM 2513 OH2 TIP3 336 -18.834 13.189 -9.277 1.00 0.00 WAT1 ATOM 2514 H1 TIP3 336 -19.381 13.050 -8.478 1.00 0.00 WAT1 ATOM 2515 H2 TIP3 336 -18.129 13.781 -8.980 1.00 0.00 WAT1 ATOM 2516 OH2 TIP3 337 -18.104 10.275 -6.884 1.00 0.00 WAT1 ATOM 2517 H1 TIP3 337 -17.887 9.364 -6.588 1.00 0.00 WAT1 ATOM 2518 H2 TIP3 337 -18.972 10.458 -6.468 1.00 0.00 WAT1 ATOM 2519 OH2 TIP3 338 -17.742 17.836 -9.874 1.00 0.00 WAT1 ATOM 2520 H1 TIP3 338 -17.062 18.025 -9.217 1.00 0.00 WAT1 ATOM 2521 H2 TIP3 338 -17.253 17.401 -10.605 1.00 0.00 WAT1 ATOM 2522 OH2 TIP3 339 -7.252 21.343 -9.543 1.00 0.00 WAT1 ATOM 2523 H1 TIP3 339 -7.612 20.445 -9.655 1.00 0.00 WAT1 ATOM 2524 H2 TIP3 339 -7.617 21.850 -10.314 1.00 0.00 WAT1 ATOM 2525 OH2 TIP3 340 -24.112 5.197 -1.573 1.00 0.00 WAT1 ATOM 2526 H1 TIP3 340 -23.882 5.019 -0.625 1.00 0.00 WAT1 ATOM 2527 H2 TIP3 340 -25.012 4.861 -1.664 1.00 0.00 WAT1 ATOM 2528 OH2 TIP3 341 -17.886 10.345 -9.596 1.00 0.00 WAT1 ATOM 2529 H1 TIP3 341 -18.058 11.248 -9.911 1.00 0.00 WAT1 ATOM 2530 H2 TIP3 341 -17.994 10.407 -8.621 1.00 0.00 WAT1 ATOM 2531 OH2 TIP3 342 -20.181 8.760 -9.899 1.00 0.00 WAT1 ATOM 2532 H1 TIP3 342 -20.757 9.512 -9.662 1.00 0.00 WAT1 ATOM 2533 H2 TIP3 342 -19.295 9.160 -9.982 1.00 0.00 WAT1 ATOM 2534 OH2 TIP3 343 -17.798 14.430 -6.780 1.00 0.00 WAT1 ATOM 2535 H1 TIP3 343 -17.210 13.655 -6.614 1.00 0.00 WAT1 ATOM 2536 H2 TIP3 343 -18.698 14.070 -6.681 1.00 0.00 WAT1 ATOM 2537 OH2 TIP3 344 -15.728 7.179 0.176 1.00 0.00 WAT1 ATOM 2538 H1 TIP3 344 -14.904 6.785 -0.129 1.00 0.00 WAT1 ATOM 2539 H2 TIP3 344 -16.388 6.920 -0.508 1.00 0.00 WAT1 ATOM 2540 OH2 TIP3 345 -20.223 18.048 -11.018 1.00 0.00 WAT1 ATOM 2541 H1 TIP3 345 -19.422 18.027 -10.446 1.00 0.00 WAT1 ATOM 2542 H2 TIP3 345 -19.878 17.831 -11.916 1.00 0.00 WAT1 ATOM 2543 OH2 TIP3 346 -21.480 13.502 -10.284 1.00 0.00 WAT1 ATOM 2544 H1 TIP3 346 -20.511 13.522 -10.177 1.00 0.00 WAT1 ATOM 2545 H2 TIP3 346 -21.731 14.439 -10.370 1.00 0.00 WAT1 ATOM 2546 OH2 TIP3 347 -12.374 18.721 -12.312 1.00 0.00 WAT1 ATOM 2547 H1 TIP3 347 -11.474 19.112 -12.401 1.00 0.00 WAT1 ATOM 2548 H2 TIP3 347 -12.554 18.753 -11.344 1.00 0.00 WAT1 ATOM 2549 OH2 TIP3 348 -11.552 13.215 -3.106 1.00 0.00 WAT1 ATOM 2550 H1 TIP3 348 -11.405 14.184 -3.129 1.00 0.00 WAT1 ATOM 2551 H2 TIP3 348 -11.923 13.011 -3.975 1.00 0.00 WAT1 ATOM 2552 OH2 TIP3 349 -24.020 10.685 2.562 1.00 0.00 WAT1 ATOM 2553 H1 TIP3 349 -23.580 10.033 1.984 1.00 0.00 WAT1 ATOM 2554 H2 TIP3 349 -23.690 11.552 2.240 1.00 0.00 WAT1 ATOM 2555 OH2 TIP3 350 -20.173 8.135 0.096 1.00 0.00 WAT1 ATOM 2556 H1 TIP3 350 -20.054 7.181 -0.102 1.00 0.00 WAT1 ATOM 2557 H2 TIP3 350 -21.125 8.217 0.319 1.00 0.00 WAT1 ATOM 2558 OH2 TIP3 351 -19.785 5.458 -0.397 1.00 0.00 WAT1 ATOM 2559 H1 TIP3 351 -19.899 4.790 0.305 1.00 0.00 WAT1 ATOM 2560 H2 TIP3 351 -20.388 5.153 -1.112 1.00 0.00 WAT1 ATOM 2561 OH2 TIP3 352 -13.395 10.739 1.301 1.00 0.00 WAT1 ATOM 2562 H1 TIP3 352 -12.701 10.070 1.256 1.00 0.00 WAT1 ATOM 2563 H2 TIP3 352 -13.135 11.399 0.620 1.00 0.00 WAT1 ATOM 2564 OH2 TIP3 353 -12.844 12.334 -0.843 1.00 0.00 WAT1 ATOM 2565 H1 TIP3 353 -13.588 12.977 -0.857 1.00 0.00 WAT1 ATOM 2566 H2 TIP3 353 -12.290 12.598 -1.608 1.00 0.00 WAT1 ATOM 2567 OH2 TIP3 354 -18.362 10.256 -0.383 1.00 0.00 WAT1 ATOM 2568 H1 TIP3 354 -17.389 10.112 -0.282 1.00 0.00 WAT1 ATOM 2569 H2 TIP3 354 -18.738 9.354 -0.394 1.00 0.00 WAT1 ATOM 2570 OH2 TIP3 355 -17.051 7.580 2.583 1.00 0.00 WAT1 ATOM 2571 H1 TIP3 355 -16.936 6.807 3.180 1.00 0.00 WAT1 ATOM 2572 H2 TIP3 355 -16.543 7.343 1.778 1.00 0.00 WAT1 ATOM 2573 OH2 TIP3 356 -23.899 5.859 3.346 1.00 0.00 WAT1 ATOM 2574 H1 TIP3 356 -24.020 5.325 4.140 1.00 0.00 WAT1 ATOM 2575 H2 TIP3 356 -23.239 6.545 3.614 1.00 0.00 WAT1 ATOM 2576 OH2 TIP3 357 -18.065 15.125 -14.399 1.00 0.00 WAT1 ATOM 2577 H1 TIP3 357 -18.153 14.247 -14.782 1.00 0.00 WAT1 ATOM 2578 H2 TIP3 357 -17.175 15.426 -14.685 1.00 0.00 WAT1 ATOM 2579 OH2 TIP3 358 -20.255 17.073 -6.571 1.00 0.00 WAT1 ATOM 2580 H1 TIP3 358 -19.420 16.630 -6.773 1.00 0.00 WAT1 ATOM 2581 H2 TIP3 358 -20.814 16.369 -6.183 1.00 0.00 WAT1 ATOM 2582 OH2 TIP3 359 -11.389 16.647 -9.934 1.00 0.00 WAT1 ATOM 2583 H1 TIP3 359 -11.766 17.519 -9.698 1.00 0.00 WAT1 ATOM 2584 H2 TIP3 359 -11.398 16.143 -9.084 1.00 0.00 WAT1 ATOM 2585 OH2 TIP3 360 -9.160 12.608 -1.842 1.00 0.00 WAT1 ATOM 2586 H1 TIP3 360 -8.816 13.470 -2.142 1.00 0.00 WAT1 ATOM 2587 H2 TIP3 360 -10.021 12.527 -2.296 1.00 0.00 WAT1 ATOM 2588 OH2 TIP3 361 -4.556 5.589 -0.980 1.00 0.00 WAT1 ATOM 2589 H1 TIP3 361 -4.755 6.362 -0.412 1.00 0.00 WAT1 ATOM 2590 H2 TIP3 361 -4.716 4.817 -0.390 1.00 0.00 WAT1 ATOM 2591 OH2 TIP3 362 -23.377 4.622 0.936 1.00 0.00 WAT1 ATOM 2592 H1 TIP3 362 -23.533 5.002 1.825 1.00 0.00 WAT1 ATOM 2593 H2 TIP3 362 -22.560 4.098 1.037 1.00 0.00 WAT1 ATOM 2594 OH2 TIP3 363 -7.999 1.425 1.711 1.00 0.00 WAT1 ATOM 2595 H1 TIP3 363 -8.729 0.802 1.735 1.00 0.00 WAT1 ATOM 2596 H2 TIP3 363 -8.332 2.204 2.201 1.00 0.00 WAT1 ATOM 2597 OH2 TIP3 364 -21.079 3.110 0.429 1.00 0.00 WAT1 ATOM 2598 H1 TIP3 364 -20.951 2.157 0.430 1.00 0.00 WAT1 ATOM 2599 H2 TIP3 364 -21.286 3.325 -0.507 1.00 0.00 WAT1 ATOM 2600 OH2 TIP3 365 -23.746 7.815 -2.234 1.00 0.00 WAT1 ATOM 2601 H1 TIP3 365 -23.835 6.867 -1.987 1.00 0.00 WAT1 ATOM 2602 H2 TIP3 365 -23.261 7.794 -3.088 1.00 0.00 WAT1 ATOM 2603 OH2 TIP3 366 -7.141 5.182 2.301 1.00 0.00 WAT1 ATOM 2604 H1 TIP3 366 -7.114 5.836 3.033 1.00 0.00 WAT1 ATOM 2605 H2 TIP3 366 -7.880 4.588 2.541 1.00 0.00 WAT1 ATOM 2606 OH2 TIP3 367 -16.213 12.273 -6.474 1.00 0.00 WAT1 ATOM 2607 H1 TIP3 367 -15.363 11.867 -6.215 1.00 0.00 WAT1 ATOM 2608 H2 TIP3 367 -16.812 11.506 -6.613 1.00 0.00 WAT1 ATOM 2609 OH2 TIP3 368 -22.186 16.312 -10.248 1.00 0.00 WAT1 ATOM 2610 H1 TIP3 368 -21.381 16.753 -10.606 1.00 0.00 WAT1 ATOM 2611 H2 TIP3 368 -22.928 16.739 -10.734 1.00 0.00 WAT1 ATOM 2612 OH2 TIP3 369 -16.148 16.788 -11.849 1.00 0.00 WAT1 ATOM 2613 H1 TIP3 369 -15.325 16.407 -11.473 1.00 0.00 WAT1 ATOM 2614 H2 TIP3 369 -16.369 16.193 -12.584 1.00 0.00 WAT1 ATOM 2615 OH2 TIP3 370 -18.559 21.103 -13.458 1.00 0.00 WAT1 ATOM 2616 H1 TIP3 370 -18.105 20.249 -13.361 1.00 0.00 WAT1 ATOM 2617 H2 TIP3 370 -17.926 21.649 -13.977 1.00 0.00 WAT1 ATOM 2618 OH2 TIP3 371 -14.551 9.298 9.299 1.00 0.00 WAT1 ATOM 2619 H1 TIP3 371 -13.821 9.259 8.648 1.00 0.00 WAT1 ATOM 2620 H2 TIP3 371 -15.128 8.534 9.064 1.00 0.00 WAT1 ATOM 2621 OH2 TIP3 372 -16.412 7.300 8.786 1.00 0.00 WAT1 ATOM 2622 H1 TIP3 372 -16.913 7.524 7.975 1.00 0.00 WAT1 ATOM 2623 H2 TIP3 372 -16.993 6.703 9.265 1.00 0.00 WAT1 ATOM 2624 OH2 TIP3 373 -12.070 13.772 10.532 1.00 0.00 WAT1 ATOM 2625 H1 TIP3 373 -11.099 13.881 10.429 1.00 0.00 WAT1 ATOM 2626 H2 TIP3 373 -12.375 13.481 9.641 1.00 0.00 WAT1 ATOM 2627 OH2 TIP3 374 -19.288 14.279 7.448 1.00 0.00 WAT1 ATOM 2628 H1 TIP3 374 -20.254 14.411 7.386 1.00 0.00 WAT1 ATOM 2629 H2 TIP3 374 -19.189 13.609 8.158 1.00 0.00 WAT1 ATOM 2630 OH2 TIP3 375 -17.539 14.202 10.688 1.00 0.00 WAT1 ATOM 2631 H1 TIP3 375 -16.651 13.780 10.741 1.00 0.00 WAT1 ATOM 2632 H2 TIP3 375 -17.443 14.866 9.965 1.00 0.00 WAT1 ATOM 2633 OH2 TIP3 376 -16.831 9.398 4.590 1.00 0.00 WAT1 ATOM 2634 H1 TIP3 376 -17.347 10.127 4.225 1.00 0.00 WAT1 ATOM 2635 H2 TIP3 376 -16.758 8.760 3.843 1.00 0.00 WAT1 ATOM 2636 OH2 TIP3 377 -22.145 14.564 7.925 1.00 0.00 WAT1 ATOM 2637 H1 TIP3 377 -22.332 15.368 7.411 1.00 0.00 WAT1 ATOM 2638 H2 TIP3 377 -22.885 13.959 7.700 1.00 0.00 WAT1 ATOM 2639 OH2 TIP3 378 -10.627 15.408 12.931 1.00 0.00 WAT1 ATOM 2640 H1 TIP3 378 -9.720 15.053 13.001 1.00 0.00 WAT1 ATOM 2641 H2 TIP3 378 -10.989 15.321 13.833 1.00 0.00 WAT1 ATOM 2642 OH2 TIP3 379 -13.591 17.077 6.266 1.00 0.00 WAT1 ATOM 2643 H1 TIP3 379 -12.899 17.123 5.596 1.00 0.00 WAT1 ATOM 2644 H2 TIP3 379 -13.765 18.015 6.501 1.00 0.00 WAT1 ATOM 2645 OH2 TIP3 380 -12.438 15.123 15.085 1.00 0.00 WAT1 ATOM 2646 H1 TIP3 380 -13.241 15.629 15.308 1.00 0.00 WAT1 ATOM 2647 H2 TIP3 380 -11.998 14.983 15.947 1.00 0.00 WAT1 ATOM 2648 OH2 TIP3 381 -17.969 8.038 6.646 1.00 0.00 WAT1 ATOM 2649 H1 TIP3 381 -17.511 8.516 5.920 1.00 0.00 WAT1 ATOM 2650 H2 TIP3 381 -18.470 8.740 7.108 1.00 0.00 WAT1 ATOM 2651 OH2 TIP3 382 -17.079 5.998 4.863 1.00 0.00 WAT1 ATOM 2652 H1 TIP3 382 -17.517 6.627 5.471 1.00 0.00 WAT1 ATOM 2653 H2 TIP3 382 -16.924 5.219 5.402 1.00 0.00 WAT1 ATOM 2654 OH2 TIP3 383 -9.624 12.120 14.654 1.00 0.00 WAT1 ATOM 2655 H1 TIP3 383 -10.487 12.092 14.196 1.00 0.00 WAT1 ATOM 2656 H2 TIP3 383 -8.994 11.774 13.993 1.00 0.00 WAT1 ATOM 2657 OH2 TIP3 384 -13.286 12.724 8.289 1.00 0.00 WAT1 ATOM 2658 H1 TIP3 384 -13.018 11.795 8.138 1.00 0.00 WAT1 ATOM 2659 H2 TIP3 384 -13.688 12.996 7.438 1.00 0.00 WAT1 ATOM 2660 OH2 TIP3 385 -16.215 11.434 8.962 1.00 0.00 WAT1 ATOM 2661 H1 TIP3 385 -15.604 10.679 9.107 1.00 0.00 WAT1 ATOM 2662 H2 TIP3 385 -15.890 12.121 9.574 1.00 0.00 WAT1 ATOM 2663 OH2 TIP3 386 -14.984 10.370 6.346 1.00 0.00 WAT1 ATOM 2664 H1 TIP3 386 -15.541 10.946 6.891 1.00 0.00 WAT1 ATOM 2665 H2 TIP3 386 -15.604 9.978 5.697 1.00 0.00 WAT1 ATOM 2666 OH2 TIP3 387 -19.500 12.597 9.574 1.00 0.00 WAT1 ATOM 2667 H1 TIP3 387 -20.294 12.822 10.073 1.00 0.00 WAT1 ATOM 2668 H2 TIP3 387 -18.771 13.026 10.076 1.00 0.00 WAT1 ATOM 2669 OH2 TIP3 388 -9.324 15.627 16.429 1.00 0.00 WAT1 ATOM 2670 H1 TIP3 388 -8.677 14.919 16.235 1.00 0.00 WAT1 ATOM 2671 H2 TIP3 388 -10.024 15.180 16.949 1.00 0.00 WAT1 ATOM 2672 OH2 TIP3 389 -15.925 16.546 17.462 1.00 0.00 WAT1 ATOM 2673 H1 TIP3 389 -16.064 17.219 18.155 1.00 0.00 WAT1 ATOM 2674 H2 TIP3 389 -16.807 16.457 17.031 1.00 0.00 WAT1 ATOM 2675 OH2 TIP3 390 -12.545 10.170 7.438 1.00 0.00 WAT1 ATOM 2676 H1 TIP3 390 -11.790 10.460 6.890 1.00 0.00 WAT1 ATOM 2677 H2 TIP3 390 -13.321 10.219 6.831 1.00 0.00 WAT1 ATOM 2678 OH2 TIP3 391 -20.716 11.191 0.534 1.00 0.00 WAT1 ATOM 2679 H1 TIP3 391 -21.294 10.659 -0.053 1.00 0.00 WAT1 ATOM 2680 H2 TIP3 391 -19.818 10.829 0.371 1.00 0.00 WAT1 ATOM 2681 OH2 TIP3 392 -11.564 19.192 18.127 1.00 0.00 WAT1 ATOM 2682 H1 TIP3 392 -11.156 20.087 18.234 1.00 0.00 WAT1 ATOM 2683 H2 TIP3 392 -11.065 18.791 17.378 1.00 0.00 WAT1 ATOM 2684 OH2 TIP3 393 -17.374 12.625 6.039 1.00 0.00 WAT1 ATOM 2685 H1 TIP3 393 -17.906 13.315 6.475 1.00 0.00 WAT1 ATOM 2686 H2 TIP3 393 -17.714 11.791 6.414 1.00 0.00 WAT1 ATOM 2687 OH2 TIP3 394 -11.712 11.932 12.720 1.00 0.00 WAT1 ATOM 2688 H1 TIP3 394 -11.634 12.579 11.994 1.00 0.00 WAT1 ATOM 2689 H2 TIP3 394 -12.281 11.220 12.345 1.00 0.00 WAT1 ATOM 2690 OH2 TIP3 395 -14.274 14.323 17.527 1.00 0.00 WAT1 ATOM 2691 H1 TIP3 395 -14.908 13.612 17.397 1.00 0.00 WAT1 ATOM 2692 H2 TIP3 395 -14.827 15.128 17.606 1.00 0.00 WAT1 ATOM 2693 OH2 TIP3 396 -14.561 13.407 5.774 1.00 0.00 WAT1 ATOM 2694 H1 TIP3 396 -14.604 14.372 5.741 1.00 0.00 WAT1 ATOM 2695 H2 TIP3 396 -15.497 13.127 5.817 1.00 0.00 WAT1 ATOM 2696 OH2 TIP3 397 -14.309 18.834 15.318 1.00 0.00 WAT1 ATOM 2697 H1 TIP3 397 -14.603 17.904 15.327 1.00 0.00 WAT1 ATOM 2698 H2 TIP3 397 -14.325 19.104 16.260 1.00 0.00 WAT1 ATOM 2699 OH2 TIP3 398 -7.513 13.664 15.725 1.00 0.00 WAT1 ATOM 2700 H1 TIP3 398 -8.218 13.045 15.437 1.00 0.00 WAT1 ATOM 2701 H2 TIP3 398 -7.113 13.222 16.511 1.00 0.00 WAT1 ATOM 2702 OH2 TIP3 399 -10.844 14.627 4.668 1.00 0.00 WAT1 ATOM 2703 H1 TIP3 399 -10.441 13.823 4.293 1.00 0.00 WAT1 ATOM 2704 H2 TIP3 399 -11.631 14.773 4.123 1.00 0.00 WAT1 ATOM 2705 OH2 TIP3 400 -13.691 10.428 11.617 1.00 0.00 WAT1 ATOM 2706 H1 TIP3 400 -14.490 10.206 12.103 1.00 0.00 WAT1 ATOM 2707 H2 TIP3 400 -13.828 10.017 10.735 1.00 0.00 WAT1 ATOM 2708 OH2 TIP3 401 -22.706 15.956 10.286 1.00 0.00 WAT1 ATOM 2709 H1 TIP3 401 -22.324 15.379 9.595 1.00 0.00 WAT1 ATOM 2710 H2 TIP3 401 -23.027 16.740 9.791 1.00 0.00 WAT1 ATOM 2711 OH2 TIP3 402 -24.089 9.793 5.111 1.00 0.00 WAT1 ATOM 2712 H1 TIP3 402 -24.808 10.276 5.552 1.00 0.00 WAT1 ATOM 2713 H2 TIP3 402 -24.082 10.152 4.199 1.00 0.00 WAT1 ATOM 2714 OH2 TIP3 403 -17.211 15.832 8.520 1.00 0.00 WAT1 ATOM 2715 H1 TIP3 403 -16.870 16.558 7.967 1.00 0.00 WAT1 ATOM 2716 H2 TIP3 403 -17.919 15.431 7.979 1.00 0.00 WAT1 ATOM 2717 OH2 TIP3 404 -18.979 17.464 12.705 1.00 0.00 WAT1 ATOM 2718 H1 TIP3 404 -19.185 17.783 11.797 1.00 0.00 WAT1 ATOM 2719 H2 TIP3 404 -18.846 18.291 13.218 1.00 0.00 WAT1 ATOM 2720 OH2 TIP3 405 -15.021 13.214 10.848 1.00 0.00 WAT1 ATOM 2721 H1 TIP3 405 -14.657 13.302 11.758 1.00 0.00 WAT1 ATOM 2722 H2 TIP3 405 -14.231 13.108 10.287 1.00 0.00 WAT1 ATOM 2723 OH2 TIP3 406 -12.924 12.493 3.543 1.00 0.00 WAT1 ATOM 2724 H1 TIP3 406 -13.520 12.663 4.302 1.00 0.00 WAT1 ATOM 2725 H2 TIP3 406 -13.420 11.871 2.981 1.00 0.00 WAT1 ATOM 2726 OH2 TIP3 407 -10.209 18.128 16.020 1.00 0.00 WAT1 ATOM 2727 H1 TIP3 407 -9.973 17.182 16.183 1.00 0.00 WAT1 ATOM 2728 H2 TIP3 407 -9.370 18.527 15.703 1.00 0.00 WAT1 ATOM 2729 OH2 TIP3 408 -10.202 11.401 6.278 1.00 0.00 WAT1 ATOM 2730 H1 TIP3 408 -10.230 12.276 6.714 1.00 0.00 WAT1 ATOM 2731 H2 TIP3 408 -9.279 11.108 6.403 1.00 0.00 WAT1 ATOM 2732 OH2 TIP3 409 -24.347 20.420 17.885 1.00 0.00 WAT1 ATOM 2733 H1 TIP3 409 -25.138 20.236 17.335 1.00 0.00 WAT1 ATOM 2734 H2 TIP3 409 -24.573 20.066 18.750 1.00 0.00 WAT1 ATOM 2735 OH2 TIP3 410 -24.614 13.299 7.257 1.00 0.00 WAT1 ATOM 2736 H1 TIP3 410 -25.003 13.661 8.087 1.00 0.00 WAT1 ATOM 2737 H2 TIP3 410 -25.206 12.556 7.017 1.00 0.00 WAT1 ATOM 2738 OH2 TIP3 411 -22.197 7.885 3.918 1.00 0.00 WAT1 ATOM 2739 H1 TIP3 411 -21.254 8.150 3.813 1.00 0.00 WAT1 ATOM 2740 H2 TIP3 411 -22.569 8.552 4.531 1.00 0.00 WAT1 ATOM 2741 OH2 TIP3 412 -23.648 18.055 8.774 1.00 0.00 WAT1 ATOM 2742 H1 TIP3 412 -23.046 17.962 8.013 1.00 0.00 WAT1 ATOM 2743 H2 TIP3 412 -24.095 18.922 8.621 1.00 0.00 WAT1 ATOM 2744 OH2 TIP3 413 -13.794 13.615 13.288 1.00 0.00 WAT1 ATOM 2745 H1 TIP3 413 -13.188 12.854 13.170 1.00 0.00 WAT1 ATOM 2746 H2 TIP3 413 -13.436 14.080 14.074 1.00 0.00 WAT1 ATOM 2747 OH2 TIP3 414 -18.481 10.605 7.777 1.00 0.00 WAT1 ATOM 2748 H1 TIP3 414 -17.633 10.807 8.237 1.00 0.00 WAT1 ATOM 2749 H2 TIP3 414 -19.151 11.079 8.305 1.00 0.00 WAT1 ATOM 2750 OH2 TIP3 415 -19.659 8.441 2.809 1.00 0.00 WAT1 ATOM 2751 H1 TIP3 415 -19.856 8.462 1.853 1.00 0.00 WAT1 ATOM 2752 H2 TIP3 415 -18.730 8.135 2.852 1.00 0.00 WAT1 ATOM 2753 OH2 TIP3 416 -10.219 12.106 3.633 1.00 0.00 WAT1 ATOM 2754 H1 TIP3 416 -11.178 12.209 3.444 1.00 0.00 WAT1 ATOM 2755 H2 TIP3 416 -10.195 11.738 4.543 1.00 0.00 WAT1 ATOM 2756 OH2 TIP3 417 -25.115 20.259 8.207 1.00 0.00 WAT1 ATOM 2757 H1 TIP3 417 -25.916 20.545 8.686 1.00 0.00 WAT1 ATOM 2758 H2 TIP3 417 -25.415 20.163 7.280 1.00 0.00 WAT1 ATOM 2759 OH2 TIP3 418 -25.671 17.309 10.435 1.00 0.00 WAT1 ATOM 2760 H1 TIP3 418 -25.386 17.636 11.310 1.00 0.00 WAT1 ATOM 2761 H2 TIP3 418 -24.926 17.545 9.839 1.00 0.00 WAT1 ATOM 2762 OH2 TIP3 419 -7.442 11.543 6.784 1.00 0.00 WAT1 ATOM 2763 H1 TIP3 419 -6.591 11.861 6.418 1.00 0.00 WAT1 ATOM 2764 H2 TIP3 419 -7.865 12.350 7.146 1.00 0.00 WAT1 ATOM 2765 OH2 TIP3 420 -9.134 13.638 7.675 1.00 0.00 WAT1 ATOM 2766 H1 TIP3 420 -9.216 13.730 8.648 1.00 0.00 WAT1 ATOM 2767 H2 TIP3 420 -9.339 14.534 7.332 1.00 0.00 WAT1 ATOM 2768 OH2 TIP3 421 -9.310 13.587 10.448 1.00 0.00 WAT1 ATOM 2769 H1 TIP3 421 -8.944 12.707 10.612 1.00 0.00 WAT1 ATOM 2770 H2 TIP3 421 -8.992 14.121 11.206 1.00 0.00 WAT1 ATOM 2771 OH2 TIP3 422 -8.075 14.257 12.925 1.00 0.00 WAT1 ATOM 2772 H1 TIP3 422 -7.795 14.507 13.824 1.00 0.00 WAT1 ATOM 2773 H2 TIP3 422 -7.868 13.299 12.871 1.00 0.00 WAT1 ATOM 2774 OH2 TIP3 423 -6.514 9.955 4.204 1.00 0.00 WAT1 ATOM 2775 H1 TIP3 423 -7.096 10.514 3.648 1.00 0.00 WAT1 ATOM 2776 H2 TIP3 423 -5.950 10.598 4.678 1.00 0.00 WAT1 ATOM 2777 OH2 TIP3 424 -11.883 16.846 8.500 1.00 0.00 WAT1 ATOM 2778 H1 TIP3 424 -12.616 16.790 7.864 1.00 0.00 WAT1 ATOM 2779 H2 TIP3 424 -11.098 16.589 7.981 1.00 0.00 WAT1 ATOM 2780 OH2 TIP3 425 -17.965 16.152 15.696 1.00 0.00 WAT1 ATOM 2781 H1 TIP3 425 -18.760 16.680 15.552 1.00 0.00 WAT1 ATOM 2782 H2 TIP3 425 -17.788 15.743 14.826 1.00 0.00 WAT1 ATOM 2783 OH2 TIP3 426 -16.085 18.921 19.323 1.00 0.00 WAT1 ATOM 2784 H1 TIP3 426 -15.395 19.323 18.743 1.00 0.00 WAT1 ATOM 2785 H2 TIP3 426 -15.951 19.355 20.184 1.00 0.00 WAT1 ATOM 2786 OH2 TIP3 427 -12.360 16.973 19.521 1.00 0.00 WAT1 ATOM 2787 H1 TIP3 427 -12.033 17.787 19.080 1.00 0.00 WAT1 ATOM 2788 H2 TIP3 427 -13.240 17.206 19.825 1.00 0.00 WAT1 ATOM 2789 OH2 TIP3 428 -23.782 19.977 15.115 1.00 0.00 WAT1 ATOM 2790 H1 TIP3 428 -24.740 20.055 15.295 1.00 0.00 WAT1 ATOM 2791 H2 TIP3 428 -23.369 20.176 15.971 1.00 0.00 WAT1 ATOM 2792 OH2 TIP3 429 -15.029 16.160 14.811 1.00 0.00 WAT1 ATOM 2793 H1 TIP3 429 -15.468 16.160 15.685 1.00 0.00 WAT1 ATOM 2794 H2 TIP3 429 -15.726 15.844 14.193 1.00 0.00 WAT1 ATOM 2795 OH2 TIP3 430 -12.017 18.080 13.940 1.00 0.00 WAT1 ATOM 2796 H1 TIP3 430 -11.317 18.037 14.626 1.00 0.00 WAT1 ATOM 2797 H2 TIP3 430 -12.782 18.472 14.406 1.00 0.00 WAT1 ATOM 2798 OH2 TIP3 431 -24.435 18.337 12.878 1.00 0.00 WAT1 ATOM 2799 H1 TIP3 431 -24.200 18.939 13.612 1.00 0.00 WAT1 ATOM 2800 H2 TIP3 431 -23.601 17.854 12.695 1.00 0.00 WAT1 ATOM 2801 OH2 TIP3 432 -21.903 17.301 12.526 1.00 0.00 WAT1 ATOM 2802 H1 TIP3 432 -20.956 17.112 12.651 1.00 0.00 WAT1 ATOM 2803 H2 TIP3 432 -22.154 16.757 11.744 1.00 0.00 WAT1 ATOM 2804 OH2 TIP3 433 -17.137 15.522 13.104 1.00 0.00 WAT1 ATOM 2805 H1 TIP3 433 -17.276 14.914 12.349 1.00 0.00 WAT1 ATOM 2806 H2 TIP3 433 -17.765 16.262 12.929 1.00 0.00 WAT1 ATOM 2807 OH2 TIP3 434 -9.849 16.174 6.645 1.00 0.00 WAT1 ATOM 2808 H1 TIP3 434 -10.200 15.660 5.876 1.00 0.00 WAT1 ATOM 2809 H2 TIP3 434 -9.271 16.841 6.241 1.00 0.00 WAT1 ATOM 2810 OH2 TIP3 435 -11.634 15.006 17.781 1.00 0.00 WAT1 ATOM 2811 H1 TIP3 435 -12.509 14.561 17.770 1.00 0.00 WAT1 ATOM 2812 H2 TIP3 435 -11.731 15.700 18.471 1.00 0.00 WAT1 ATOM 2813 OH2 TIP3 436 -19.011 31.055 -23.146 1.00 0.00 WAT1 ATOM 2814 H1 TIP3 436 -19.681 31.735 -22.936 1.00 0.00 WAT1 ATOM 2815 H2 TIP3 436 -18.163 31.491 -22.935 1.00 0.00 WAT1 ATOM 2816 OH2 TIP3 437 -24.468 34.411 -21.197 1.00 0.00 WAT1 ATOM 2817 H1 TIP3 437 -24.879 33.877 -20.471 1.00 0.00 WAT1 ATOM 2818 H2 TIP3 437 -23.874 33.790 -21.637 1.00 0.00 WAT1 ATOM 2819 OH2 TIP3 438 -13.368 37.239 -23.868 1.00 0.00 WAT1 ATOM 2820 H1 TIP3 438 -13.541 36.677 -23.069 1.00 0.00 WAT1 ATOM 2821 H2 TIP3 438 -14.050 37.919 -23.830 1.00 0.00 WAT1 ATOM 2822 OH2 TIP3 439 -16.546 28.142 -21.583 1.00 0.00 WAT1 ATOM 2823 H1 TIP3 439 -16.102 27.380 -21.198 1.00 0.00 WAT1 ATOM 2824 H2 TIP3 439 -15.907 28.875 -21.468 1.00 0.00 WAT1 ATOM 2825 OH2 TIP3 440 -5.814 21.146 -16.377 1.00 0.00 WAT1 ATOM 2826 H1 TIP3 440 -6.164 20.404 -16.876 1.00 0.00 WAT1 ATOM 2827 H2 TIP3 440 -5.360 20.728 -15.609 1.00 0.00 WAT1 ATOM 2828 OH2 TIP3 441 -20.432 30.430 -25.406 1.00 0.00 WAT1 ATOM 2829 H1 TIP3 441 -19.847 30.499 -24.624 1.00 0.00 WAT1 ATOM 2830 H2 TIP3 441 -20.126 29.644 -25.863 1.00 0.00 WAT1 ATOM 2831 OH2 TIP3 442 -10.937 33.095 -22.034 1.00 0.00 WAT1 ATOM 2832 H1 TIP3 442 -10.187 33.084 -22.638 1.00 0.00 WAT1 ATOM 2833 H2 TIP3 442 -11.504 32.361 -22.338 1.00 0.00 WAT1 ATOM 2834 OH2 TIP3 443 -13.470 33.747 -26.726 1.00 0.00 WAT1 ATOM 2835 H1 TIP3 443 -13.071 33.802 -27.601 1.00 0.00 WAT1 ATOM 2836 H2 TIP3 443 -14.417 33.986 -26.877 1.00 0.00 WAT1 ATOM 2837 OH2 TIP3 444 -11.598 30.204 -20.269 1.00 0.00 WAT1 ATOM 2838 H1 TIP3 444 -10.653 29.916 -20.269 1.00 0.00 WAT1 ATOM 2839 H2 TIP3 444 -11.748 30.533 -21.178 1.00 0.00 WAT1 ATOM 2840 OH2 TIP3 445 -9.099 29.319 -19.732 1.00 0.00 WAT1 ATOM 2841 H1 TIP3 445 -8.367 29.844 -19.347 1.00 0.00 WAT1 ATOM 2842 H2 TIP3 445 -9.603 29.006 -18.947 1.00 0.00 WAT1 ATOM 2843 OH2 TIP3 446 -14.449 29.181 -17.626 1.00 0.00 WAT1 ATOM 2844 H1 TIP3 446 -13.916 28.823 -16.875 1.00 0.00 WAT1 ATOM 2845 H2 TIP3 446 -14.114 28.688 -18.404 1.00 0.00 WAT1 ATOM 2846 OH2 TIP3 447 -20.070 33.710 -22.886 1.00 0.00 WAT1 ATOM 2847 H1 TIP3 447 -20.460 33.503 -23.763 1.00 0.00 WAT1 ATOM 2848 H2 TIP3 447 -20.629 34.443 -22.547 1.00 0.00 WAT1 ATOM 2849 OH2 TIP3 448 -20.244 28.024 -19.600 1.00 0.00 WAT1 ATOM 2850 H1 TIP3 448 -19.487 28.355 -20.105 1.00 0.00 WAT1 ATOM 2851 H2 TIP3 448 -20.855 27.697 -20.279 1.00 0.00 WAT1 ATOM 2852 OH2 TIP3 449 -13.586 35.667 -21.719 1.00 0.00 WAT1 ATOM 2853 H1 TIP3 449 -14.038 34.808 -21.877 1.00 0.00 WAT1 ATOM 2854 H2 TIP3 449 -13.023 35.495 -20.944 1.00 0.00 WAT1 ATOM 2855 OH2 TIP3 450 -23.520 28.881 -17.332 1.00 0.00 WAT1 ATOM 2856 H1 TIP3 450 -23.589 28.815 -18.304 1.00 0.00 WAT1 ATOM 2857 H2 TIP3 450 -22.545 28.854 -17.159 1.00 0.00 WAT1 ATOM 2858 OH2 TIP3 451 -16.015 34.457 -27.396 1.00 0.00 WAT1 ATOM 2859 H1 TIP3 451 -16.924 34.144 -27.466 1.00 0.00 WAT1 ATOM 2860 H2 TIP3 451 -16.073 35.411 -27.615 1.00 0.00 WAT1 ATOM 2861 OH2 TIP3 452 -21.698 27.562 -21.953 1.00 0.00 WAT1 ATOM 2862 H1 TIP3 452 -20.794 27.928 -22.116 1.00 0.00 WAT1 ATOM 2863 H2 TIP3 452 -21.914 27.098 -22.770 1.00 0.00 WAT1 ATOM 2864 OH2 TIP3 453 -22.075 35.608 -22.448 1.00 0.00 WAT1 ATOM 2865 H1 TIP3 453 -22.818 35.530 -21.830 1.00 0.00 WAT1 ATOM 2866 H2 TIP3 453 -22.453 36.083 -23.218 1.00 0.00 WAT1 ATOM 2867 OH2 TIP3 454 -12.747 32.648 -14.210 1.00 0.00 WAT1 ATOM 2868 H1 TIP3 454 -12.010 32.011 -14.119 1.00 0.00 WAT1 ATOM 2869 H2 TIP3 454 -13.169 32.408 -15.060 1.00 0.00 WAT1 ATOM 2870 OH2 TIP3 455 -19.057 33.945 -29.682 1.00 0.00 WAT1 ATOM 2871 H1 TIP3 455 -18.796 33.305 -30.350 1.00 0.00 WAT1 ATOM 2872 H2 TIP3 455 -18.521 34.745 -29.892 1.00 0.00 WAT1 ATOM 2873 OH2 TIP3 456 -21.153 35.714 -25.826 1.00 0.00 WAT1 ATOM 2874 H1 TIP3 456 -21.969 36.062 -25.413 1.00 0.00 WAT1 ATOM 2875 H2 TIP3 456 -21.111 34.782 -25.522 1.00 0.00 WAT1 ATOM 2876 OH2 TIP3 457 -23.635 28.169 -20.071 1.00 0.00 WAT1 ATOM 2877 H1 TIP3 457 -22.945 28.167 -20.771 1.00 0.00 WAT1 ATOM 2878 H2 TIP3 457 -23.728 27.239 -19.830 1.00 0.00 WAT1 ATOM 2879 OH2 TIP3 458 -13.588 25.577 -16.467 1.00 0.00 WAT1 ATOM 2880 H1 TIP3 458 -13.095 26.421 -16.292 1.00 0.00 WAT1 ATOM 2881 H2 TIP3 458 -12.882 24.916 -16.630 1.00 0.00 WAT1 ATOM 2882 OH2 TIP3 459 -18.261 27.801 -16.465 1.00 0.00 WAT1 ATOM 2883 H1 TIP3 459 -17.943 28.577 -16.978 1.00 0.00 WAT1 ATOM 2884 H2 TIP3 459 -17.436 27.383 -16.128 1.00 0.00 WAT1 ATOM 2885 OH2 TIP3 460 -12.739 31.054 -22.598 1.00 0.00 WAT1 ATOM 2886 H1 TIP3 460 -12.947 31.140 -23.561 1.00 0.00 WAT1 ATOM 2887 H2 TIP3 460 -13.469 30.504 -22.245 1.00 0.00 WAT1 ATOM 2888 OH2 TIP3 461 -20.876 28.522 -17.036 1.00 0.00 WAT1 ATOM 2889 H1 TIP3 461 -20.662 28.362 -17.985 1.00 0.00 WAT1 ATOM 2890 H2 TIP3 461 -20.037 28.337 -16.573 1.00 0.00 WAT1 ATOM 2891 OH2 TIP3 462 -21.112 33.041 -16.794 1.00 0.00 WAT1 ATOM 2892 H1 TIP3 462 -20.971 32.314 -17.411 1.00 0.00 WAT1 ATOM 2893 H2 TIP3 462 -20.432 33.717 -17.059 1.00 0.00 WAT1 ATOM 2894 OH2 TIP3 463 -19.186 28.512 -22.201 1.00 0.00 WAT1 ATOM 2895 H1 TIP3 463 -19.119 29.434 -22.536 1.00 0.00 WAT1 ATOM 2896 H2 TIP3 463 -18.250 28.246 -22.047 1.00 0.00 WAT1 ATOM 2897 OH2 TIP3 464 -17.079 29.967 -17.762 1.00 0.00 WAT1 ATOM 2898 H1 TIP3 464 -17.057 30.557 -18.541 1.00 0.00 WAT1 ATOM 2899 H2 TIP3 464 -16.153 29.647 -17.679 1.00 0.00 WAT1 ATOM 2900 OH2 TIP3 465 -15.046 34.226 -17.283 1.00 0.00 WAT1 ATOM 2901 H1 TIP3 465 -15.963 34.128 -17.623 1.00 0.00 WAT1 ATOM 2902 H2 TIP3 465 -14.808 33.330 -16.979 1.00 0.00 WAT1 ATOM 2903 OH2 TIP3 466 -11.684 32.197 -18.358 1.00 0.00 WAT1 ATOM 2904 H1 TIP3 466 -11.037 31.939 -17.662 1.00 0.00 WAT1 ATOM 2905 H2 TIP3 466 -11.612 31.482 -19.026 1.00 0.00 WAT1 ATOM 2906 OH2 TIP3 467 -13.809 31.760 -16.705 1.00 0.00 WAT1 ATOM 2907 H1 TIP3 467 -14.102 30.888 -17.035 1.00 0.00 WAT1 ATOM 2908 H2 TIP3 467 -13.072 32.009 -17.307 1.00 0.00 WAT1 ATOM 2909 OH2 TIP3 468 -23.325 33.550 -27.003 1.00 0.00 WAT1 ATOM 2910 H1 TIP3 468 -22.789 33.959 -27.712 1.00 0.00 WAT1 ATOM 2911 H2 TIP3 468 -24.225 33.822 -27.199 1.00 0.00 WAT1 ATOM 2912 OH2 TIP3 469 -21.365 34.866 -28.526 1.00 0.00 WAT1 ATOM 2913 H1 TIP3 469 -21.059 35.083 -27.623 1.00 0.00 WAT1 ATOM 2914 H2 TIP3 469 -20.592 34.417 -28.941 1.00 0.00 WAT1 ATOM 2915 OH2 TIP3 470 -17.467 33.124 -22.128 1.00 0.00 WAT1 ATOM 2916 H1 TIP3 470 -16.900 33.893 -22.284 1.00 0.00 WAT1 ATOM 2917 H2 TIP3 470 -18.373 33.446 -22.337 1.00 0.00 WAT1 ATOM 2918 OH2 TIP3 471 -25.578 32.653 -19.486 1.00 0.00 WAT1 ATOM 2919 H1 TIP3 471 -25.599 31.732 -19.829 1.00 0.00 WAT1 ATOM 2920 H2 TIP3 471 -25.991 32.587 -18.606 1.00 0.00 WAT1 ATOM 2921 OH2 TIP3 472 -14.752 30.173 -20.891 1.00 0.00 WAT1 ATOM 2922 H1 TIP3 472 -15.402 30.752 -20.433 1.00 0.00 WAT1 ATOM 2923 H2 TIP3 472 -14.061 30.019 -20.226 1.00 0.00 WAT1 ATOM 2924 OH2 TIP3 473 -12.579 22.964 -16.872 1.00 0.00 WAT1 ATOM 2925 H1 TIP3 473 -13.043 22.129 -16.645 1.00 0.00 WAT1 ATOM 2926 H2 TIP3 473 -11.725 22.899 -16.396 1.00 0.00 WAT1 ATOM 2927 OH2 TIP3 474 -9.508 37.031 -25.584 1.00 0.00 WAT1 ATOM 2928 H1 TIP3 474 -10.376 36.576 -25.647 1.00 0.00 WAT1 ATOM 2929 H2 TIP3 474 -9.001 36.673 -26.315 1.00 0.00 WAT1 ATOM 2930 OH2 TIP3 475 -21.318 33.032 -25.242 1.00 0.00 WAT1 ATOM 2931 H1 TIP3 475 -22.137 33.118 -25.786 1.00 0.00 WAT1 ATOM 2932 H2 TIP3 475 -21.018 32.110 -25.411 1.00 0.00 WAT1 ATOM 2933 OH2 TIP3 476 -29.655 36.689 -16.219 1.00 0.00 WAT1 ATOM 2934 H1 TIP3 476 -29.184 36.610 -17.078 1.00 0.00 WAT1 ATOM 2935 H2 TIP3 476 -29.651 35.783 -15.865 1.00 0.00 WAT1 ATOM 2936 OH2 TIP3 477 -22.576 35.451 -10.990 1.00 0.00 WAT1 ATOM 2937 H1 TIP3 477 -22.442 36.237 -11.568 1.00 0.00 WAT1 ATOM 2938 H2 TIP3 477 -23.203 34.905 -11.480 1.00 0.00 WAT1 ATOM 2939 OH2 TIP3 478 -24.898 30.552 -15.628 1.00 0.00 WAT1 ATOM 2940 H1 TIP3 478 -25.568 29.856 -15.444 1.00 0.00 WAT1 ATOM 2941 H2 TIP3 478 -24.270 30.117 -16.246 1.00 0.00 WAT1 ATOM 2942 OH2 TIP3 479 -20.079 36.351 -15.375 1.00 0.00 WAT1 ATOM 2943 H1 TIP3 479 -20.967 36.001 -15.156 1.00 0.00 WAT1 ATOM 2944 H2 TIP3 479 -19.831 35.871 -16.206 1.00 0.00 WAT1 ATOM 2945 OH2 TIP3 480 -16.676 31.838 -19.843 1.00 0.00 WAT1 ATOM 2946 H1 TIP3 480 -16.893 32.551 -19.186 1.00 0.00 WAT1 ATOM 2947 H2 TIP3 480 -17.114 32.140 -20.665 1.00 0.00 WAT1 ATOM 2948 OH2 TIP3 481 -24.183 26.955 -15.444 1.00 0.00 WAT1 ATOM 2949 H1 TIP3 481 -24.014 27.614 -16.153 1.00 0.00 WAT1 ATOM 2950 H2 TIP3 481 -23.295 26.590 -15.243 1.00 0.00 WAT1 ATOM 2951 OH2 TIP3 482 -15.191 23.741 -17.795 1.00 0.00 WAT1 ATOM 2952 H1 TIP3 482 -14.442 23.127 -17.868 1.00 0.00 WAT1 ATOM 2953 H2 TIP3 482 -14.785 24.567 -17.469 1.00 0.00 WAT1 ATOM 2954 OH2 TIP3 483 -18.027 32.212 -16.209 1.00 0.00 WAT1 ATOM 2955 H1 TIP3 483 -17.744 31.378 -16.628 1.00 0.00 WAT1 ATOM 2956 H2 TIP3 483 -17.984 32.876 -16.941 1.00 0.00 WAT1 ATOM 2957 OH2 TIP3 484 -17.821 24.087 -17.364 1.00 0.00 WAT1 ATOM 2958 H1 TIP3 484 -16.862 23.983 -17.588 1.00 0.00 WAT1 ATOM 2959 H2 TIP3 484 -18.224 24.377 -18.191 1.00 0.00 WAT1 ATOM 2960 OH2 TIP3 485 -17.042 22.658 -15.119 1.00 0.00 WAT1 ATOM 2961 H1 TIP3 485 -16.165 23.074 -14.989 1.00 0.00 WAT1 ATOM 2962 H2 TIP3 485 -17.400 23.098 -15.916 1.00 0.00 WAT1 ATOM 2963 OH2 TIP3 486 -16.072 26.474 -15.493 1.00 0.00 WAT1 ATOM 2964 H1 TIP3 486 -15.982 25.733 -14.875 1.00 0.00 WAT1 ATOM 2965 H2 TIP3 486 -15.228 26.476 -15.982 1.00 0.00 WAT1 ATOM 2966 OH2 TIP3 487 -14.792 24.146 -14.416 1.00 0.00 WAT1 ATOM 2967 H1 TIP3 487 -14.081 23.759 -13.865 1.00 0.00 WAT1 ATOM 2968 H2 TIP3 487 -14.308 24.587 -15.148 1.00 0.00 WAT1 ATOM 2969 OH2 TIP3 488 -22.983 23.105 -13.383 1.00 0.00 WAT1 ATOM 2970 H1 TIP3 488 -22.052 22.848 -13.570 1.00 0.00 WAT1 ATOM 2971 H2 TIP3 488 -23.500 22.296 -13.595 1.00 0.00 WAT1 ATOM 2972 OH2 TIP3 489 -18.990 17.501 -13.381 1.00 0.00 WAT1 ATOM 2973 H1 TIP3 489 -18.840 16.599 -13.738 1.00 0.00 WAT1 ATOM 2974 H2 TIP3 489 -18.200 17.997 -13.651 1.00 0.00 WAT1 ATOM 2975 OH2 TIP3 490 -25.800 37.400 -23.080 1.00 0.00 WAT1 ATOM 2976 H1 TIP3 490 -26.216 38.264 -23.273 1.00 0.00 WAT1 ATOM 2977 H2 TIP3 490 -25.988 37.255 -22.128 1.00 0.00 WAT1 ATOM 2978 OH2 TIP3 491 -26.709 34.787 -22.815 1.00 0.00 WAT1 ATOM 2979 H1 TIP3 491 -26.463 35.655 -23.186 1.00 0.00 WAT1 ATOM 2980 H2 TIP3 491 -25.962 34.560 -22.228 1.00 0.00 WAT1 ATOM 2981 OH2 TIP3 492 -12.715 35.740 -17.465 1.00 0.00 WAT1 ATOM 2982 H1 TIP3 492 -12.479 35.445 -18.363 1.00 0.00 WAT1 ATOM 2983 H2 TIP3 492 -13.561 35.268 -17.276 1.00 0.00 WAT1 ATOM 2984 OH2 TIP3 493 -11.293 33.876 -12.128 1.00 0.00 WAT1 ATOM 2985 H1 TIP3 493 -11.855 33.706 -12.912 1.00 0.00 WAT1 ATOM 2986 H2 TIP3 493 -11.253 33.003 -11.671 1.00 0.00 WAT1 ATOM 2987 OH2 TIP3 494 -14.538 33.151 -22.016 1.00 0.00 WAT1 ATOM 2988 H1 TIP3 494 -13.836 32.502 -22.196 1.00 0.00 WAT1 ATOM 2989 H2 TIP3 494 -15.271 32.620 -21.676 1.00 0.00 WAT1 ATOM 2990 OH2 TIP3 495 -10.486 25.820 -15.085 1.00 0.00 WAT1 ATOM 2991 H1 TIP3 495 -10.844 26.710 -14.876 1.00 0.00 WAT1 ATOM 2992 H2 TIP3 495 -9.557 25.991 -15.342 1.00 0.00 WAT1 ATOM 2993 OH2 TIP3 496 -12.967 27.942 -19.529 1.00 0.00 WAT1 ATOM 2994 H1 TIP3 496 -12.348 27.311 -19.143 1.00 0.00 WAT1 ATOM 2995 H2 TIP3 496 -12.409 28.717 -19.750 1.00 0.00 WAT1 ATOM 2996 OH2 TIP3 497 -24.386 20.908 -14.295 1.00 0.00 WAT1 ATOM 2997 H1 TIP3 497 -23.531 20.764 -14.771 1.00 0.00 WAT1 ATOM 2998 H2 TIP3 497 -25.051 20.562 -14.898 1.00 0.00 WAT1 ATOM 2999 OH2 TIP3 498 -9.873 19.741 -12.544 1.00 0.00 WAT1 ATOM 3000 H1 TIP3 498 -9.859 20.729 -12.413 1.00 0.00 WAT1 ATOM 3001 H2 TIP3 498 -9.219 19.590 -13.235 1.00 0.00 WAT1 ATOM 3002 OH2 TIP3 499 -10.534 23.087 -15.026 1.00 0.00 WAT1 ATOM 3003 H1 TIP3 499 -10.049 22.832 -14.207 1.00 0.00 WAT1 ATOM 3004 H2 TIP3 499 -10.461 24.070 -15.053 1.00 0.00 WAT1 ATOM 3005 OH2 TIP3 500 -25.575 30.102 -20.419 1.00 0.00 WAT1 ATOM 3006 H1 TIP3 500 -24.908 29.414 -20.215 1.00 0.00 WAT1 ATOM 3007 H2 TIP3 500 -25.900 29.865 -21.292 1.00 0.00 WAT1 ATOM 3008 OH2 TIP3 501 -11.756 34.513 -19.889 1.00 0.00 WAT1 ATOM 3009 H1 TIP3 501 -11.804 33.774 -19.240 1.00 0.00 WAT1 ATOM 3010 H2 TIP3 501 -11.429 34.079 -20.716 1.00 0.00 WAT1 ATOM 3011 OH2 TIP3 502 -23.450 36.841 -24.523 1.00 0.00 WAT1 ATOM 3012 H1 TIP3 502 -24.306 36.959 -24.057 1.00 0.00 WAT1 ATOM 3013 H2 TIP3 502 -23.592 37.275 -25.398 1.00 0.00 WAT1 ATOM 3014 OH2 TIP3 503 -20.466 22.849 -14.459 1.00 0.00 WAT1 ATOM 3015 H1 TIP3 503 -19.947 23.617 -14.771 1.00 0.00 WAT1 ATOM 3016 H2 TIP3 503 -19.794 22.248 -14.061 1.00 0.00 WAT1 ATOM 3017 OH2 TIP3 504 -14.207 20.898 -16.114 1.00 0.00 WAT1 ATOM 3018 H1 TIP3 504 -14.197 20.640 -15.170 1.00 0.00 WAT1 ATOM 3019 H2 TIP3 504 -15.141 20.891 -16.351 1.00 0.00 WAT1 ATOM 3020 OH2 TIP3 505 -8.392 32.820 -10.559 1.00 0.00 WAT1 ATOM 3021 H1 TIP3 505 -7.784 32.055 -10.543 1.00 0.00 WAT1 ATOM 3022 H2 TIP3 505 -9.283 32.412 -10.631 1.00 0.00 WAT1 ATOM 3023 OH2 TIP3 506 -18.409 37.199 -10.367 1.00 0.00 WAT1 ATOM 3024 H1 TIP3 506 -18.529 36.794 -11.249 1.00 0.00 WAT1 ATOM 3025 H2 TIP3 506 -17.466 37.387 -10.316 1.00 0.00 WAT1 ATOM 3026 OH2 TIP3 507 -21.313 41.558 -8.464 1.00 0.00 WAT1 ATOM 3027 H1 TIP3 507 -20.409 41.470 -8.148 1.00 0.00 WAT1 ATOM 3028 H2 TIP3 507 -21.763 42.087 -7.762 1.00 0.00 WAT1 ATOM 3029 OH2 TIP3 508 -19.416 25.361 -15.501 1.00 0.00 WAT1 ATOM 3030 H1 TIP3 508 -19.161 26.293 -15.664 1.00 0.00 WAT1 ATOM 3031 H2 TIP3 508 -18.870 24.854 -16.139 1.00 0.00 WAT1 ATOM 3032 OH2 TIP3 509 -23.017 27.234 -12.476 1.00 0.00 WAT1 ATOM 3033 H1 TIP3 509 -22.374 26.857 -13.113 1.00 0.00 WAT1 ATOM 3034 H2 TIP3 509 -23.758 27.513 -13.028 1.00 0.00 WAT1 ATOM 3035 OH2 TIP3 510 -26.838 26.632 -13.028 1.00 0.00 WAT1 ATOM 3036 H1 TIP3 510 -26.352 25.870 -13.403 1.00 0.00 WAT1 ATOM 3037 H2 TIP3 510 -27.680 26.656 -13.535 1.00 0.00 WAT1 ATOM 3038 OH2 TIP3 511 -18.938 33.885 -14.266 1.00 0.00 WAT1 ATOM 3039 H1 TIP3 511 -18.499 33.257 -14.890 1.00 0.00 WAT1 ATOM 3040 H2 TIP3 511 -19.143 34.660 -14.821 1.00 0.00 WAT1 ATOM 3041 OH2 TIP3 512 -19.570 35.606 -12.240 1.00 0.00 WAT1 ATOM 3042 H1 TIP3 512 -19.264 34.912 -12.868 1.00 0.00 WAT1 ATOM 3043 H2 TIP3 512 -20.258 36.086 -12.736 1.00 0.00 WAT1 ATOM 3044 OH2 TIP3 513 -19.820 22.789 -9.114 1.00 0.00 WAT1 ATOM 3045 H1 TIP3 513 -20.148 22.093 -9.723 1.00 0.00 WAT1 ATOM 3046 H2 TIP3 513 -18.898 22.945 -9.412 1.00 0.00 WAT1 ATOM 3047 OH2 TIP3 514 -21.073 31.982 -14.209 1.00 0.00 WAT1 ATOM 3048 H1 TIP3 514 -20.269 32.479 -13.980 1.00 0.00 WAT1 ATOM 3049 H2 TIP3 514 -21.127 32.062 -15.182 1.00 0.00 WAT1 ATOM 3050 OH2 TIP3 515 -23.216 29.040 -10.195 1.00 0.00 WAT1 ATOM 3051 H1 TIP3 515 -23.794 29.789 -10.464 1.00 0.00 WAT1 ATOM 3052 H2 TIP3 515 -22.999 28.593 -11.035 1.00 0.00 WAT1 ATOM 3053 OH2 TIP3 516 -22.241 34.663 -14.874 1.00 0.00 WAT1 ATOM 3054 H1 TIP3 516 -21.914 34.123 -15.630 1.00 0.00 WAT1 ATOM 3055 H2 TIP3 516 -22.610 34.009 -14.261 1.00 0.00 WAT1 ATOM 3056 OH2 TIP3 517 -24.826 30.923 -11.300 1.00 0.00 WAT1 ATOM 3057 H1 TIP3 517 -24.408 31.477 -11.994 1.00 0.00 WAT1 ATOM 3058 H2 TIP3 517 -25.477 30.384 -11.787 1.00 0.00 WAT1 ATOM 3059 OH2 TIP3 518 -10.027 33.759 -2.817 1.00 0.00 WAT1 ATOM 3060 H1 TIP3 518 -10.015 34.329 -2.020 1.00 0.00 WAT1 ATOM 3061 H2 TIP3 518 -10.092 34.382 -3.550 1.00 0.00 WAT1 ATOM 3062 OH2 TIP3 519 -9.511 33.108 0.227 1.00 0.00 WAT1 ATOM 3063 H1 TIP3 519 -8.918 33.721 0.684 1.00 0.00 WAT1 ATOM 3064 H2 TIP3 519 -10.372 33.265 0.634 1.00 0.00 WAT1 ATOM 3065 OH2 TIP3 520 -12.583 22.684 -13.302 1.00 0.00 WAT1 ATOM 3066 H1 TIP3 520 -11.911 22.671 -12.597 1.00 0.00 WAT1 ATOM 3067 H2 TIP3 520 -12.057 22.813 -14.121 1.00 0.00 WAT1 ATOM 3068 OH2 TIP3 521 -23.825 22.674 -8.928 1.00 0.00 WAT1 ATOM 3069 H1 TIP3 521 -24.258 23.396 -9.419 1.00 0.00 WAT1 ATOM 3070 H2 TIP3 521 -24.567 22.061 -8.705 1.00 0.00 WAT1 ATOM 3071 OH2 TIP3 522 -20.277 20.951 -11.147 1.00 0.00 WAT1 ATOM 3072 H1 TIP3 522 -20.404 19.992 -11.027 1.00 0.00 WAT1 ATOM 3073 H2 TIP3 522 -19.666 21.018 -11.903 1.00 0.00 WAT1 ATOM 3074 OH2 TIP3 523 -23.710 32.037 -13.532 1.00 0.00 WAT1 ATOM 3075 H1 TIP3 523 -22.749 31.899 -13.693 1.00 0.00 WAT1 ATOM 3076 H2 TIP3 523 -24.143 31.624 -14.307 1.00 0.00 WAT1 ATOM 3077 OH2 TIP3 524 -17.021 29.814 10.491 1.00 0.00 WAT1 ATOM 3078 H1 TIP3 524 -17.334 30.576 9.956 1.00 0.00 WAT1 ATOM 3079 H2 TIP3 524 -16.557 29.249 9.845 1.00 0.00 WAT1 ATOM 3080 OH2 TIP3 525 -16.217 28.877 8.001 1.00 0.00 WAT1 ATOM 3081 H1 TIP3 525 -16.420 28.043 7.564 1.00 0.00 WAT1 ATOM 3082 H2 TIP3 525 -16.889 29.506 7.649 1.00 0.00 WAT1 ATOM 3083 OH2 TIP3 526 -18.663 36.726 7.681 1.00 0.00 WAT1 ATOM 3084 H1 TIP3 526 -18.087 37.258 7.099 1.00 0.00 WAT1 ATOM 3085 H2 TIP3 526 -18.544 35.803 7.351 1.00 0.00 WAT1 ATOM 3086 OH2 TIP3 527 -21.424 19.745 13.752 1.00 0.00 WAT1 ATOM 3087 H1 TIP3 527 -22.251 19.960 14.227 1.00 0.00 WAT1 ATOM 3088 H2 TIP3 527 -21.627 18.912 13.282 1.00 0.00 WAT1 ATOM 3089 OH2 TIP3 528 -12.430 34.116 14.632 1.00 0.00 WAT1 ATOM 3090 H1 TIP3 528 -12.890 34.346 13.793 1.00 0.00 WAT1 ATOM 3091 H2 TIP3 528 -12.554 34.904 15.196 1.00 0.00 WAT1 ATOM 3092 OH2 TIP3 529 -16.805 31.428 12.653 1.00 0.00 WAT1 ATOM 3093 H1 TIP3 529 -16.837 30.762 11.925 1.00 0.00 WAT1 ATOM 3094 H2 TIP3 529 -16.923 32.285 12.194 1.00 0.00 WAT1 ATOM 3095 OH2 TIP3 530 -14.615 26.217 6.332 1.00 0.00 WAT1 ATOM 3096 H1 TIP3 530 -14.144 25.375 6.470 1.00 0.00 WAT1 ATOM 3097 H2 TIP3 530 -14.531 26.382 5.373 1.00 0.00 WAT1 ATOM 3098 OH2 TIP3 531 -9.120 31.947 18.019 1.00 0.00 WAT1 ATOM 3099 H1 TIP3 531 -9.452 32.223 17.137 1.00 0.00 WAT1 ATOM 3100 H2 TIP3 531 -9.889 32.085 18.615 1.00 0.00 WAT1 ATOM 3101 OH2 TIP3 532 -15.839 31.274 5.756 1.00 0.00 WAT1 ATOM 3102 H1 TIP3 532 -15.874 32.226 5.502 1.00 0.00 WAT1 ATOM 3103 H2 TIP3 532 -16.666 31.132 6.278 1.00 0.00 WAT1 ATOM 3104 OH2 TIP3 533 -24.566 28.748 15.278 1.00 0.00 WAT1 ATOM 3105 H1 TIP3 533 -25.356 29.272 15.530 1.00 0.00 WAT1 ATOM 3106 H2 TIP3 533 -23.934 28.903 16.009 1.00 0.00 WAT1 ATOM 3107 OH2 TIP3 534 -11.008 35.033 19.186 1.00 0.00 WAT1 ATOM 3108 H1 TIP3 534 -10.328 35.145 18.498 1.00 0.00 WAT1 ATOM 3109 H2 TIP3 534 -11.232 34.082 19.149 1.00 0.00 WAT1 ATOM 3110 OH2 TIP3 535 -14.958 36.134 7.670 1.00 0.00 WAT1 ATOM 3111 H1 TIP3 535 -14.463 35.448 7.170 1.00 0.00 WAT1 ATOM 3112 H2 TIP3 535 -15.670 36.405 7.062 1.00 0.00 WAT1 ATOM 3113 OH2 TIP3 536 -18.254 34.448 6.294 1.00 0.00 WAT1 ATOM 3114 H1 TIP3 536 -17.850 33.587 6.449 1.00 0.00 WAT1 ATOM 3115 H2 TIP3 536 -17.794 34.786 5.490 1.00 0.00 WAT1 ATOM 3116 OH2 TIP3 537 -14.108 20.093 17.892 1.00 0.00 WAT1 ATOM 3117 H1 TIP3 537 -13.180 19.778 17.993 1.00 0.00 WAT1 ATOM 3118 H2 TIP3 537 -14.045 21.062 18.011 1.00 0.00 WAT1 ATOM 3119 OH2 TIP3 538 -22.404 25.314 18.589 1.00 0.00 WAT1 ATOM 3120 H1 TIP3 538 -22.581 24.345 18.499 1.00 0.00 WAT1 ATOM 3121 H2 TIP3 538 -23.042 25.724 17.996 1.00 0.00 WAT1 ATOM 3122 OH2 TIP3 539 -11.529 35.971 21.667 1.00 0.00 WAT1 ATOM 3123 H1 TIP3 539 -11.291 35.800 20.725 1.00 0.00 WAT1 ATOM 3124 H2 TIP3 539 -11.722 35.084 22.022 1.00 0.00 WAT1 ATOM 3125 OH2 TIP3 540 -26.214 26.621 14.373 1.00 0.00 WAT1 ATOM 3126 H1 TIP3 540 -26.318 25.948 15.082 1.00 0.00 WAT1 ATOM 3127 H2 TIP3 540 -25.483 27.189 14.688 1.00 0.00 WAT1 ATOM 3128 OH2 TIP3 541 -7.054 30.182 18.568 1.00 0.00 WAT1 ATOM 3129 H1 TIP3 541 -7.628 30.912 18.242 1.00 0.00 WAT1 ATOM 3130 H2 TIP3 541 -6.620 29.834 17.758 1.00 0.00 WAT1 ATOM 3131 OH2 TIP3 542 -14.992 32.260 8.283 1.00 0.00 WAT1 ATOM 3132 H1 TIP3 542 -14.791 31.488 7.729 1.00 0.00 WAT1 ATOM 3133 H2 TIP3 542 -15.941 32.136 8.527 1.00 0.00 WAT1 ATOM 3134 OH2 TIP3 543 -7.920 35.320 7.164 1.00 0.00 WAT1 ATOM 3135 H1 TIP3 543 -8.545 35.002 7.829 1.00 0.00 WAT1 ATOM 3136 H2 TIP3 543 -7.502 36.087 7.578 1.00 0.00 WAT1 ATOM 3137 OH2 TIP3 544 -22.736 22.659 18.218 1.00 0.00 WAT1 ATOM 3138 H1 TIP3 544 -21.827 22.333 18.075 1.00 0.00 WAT1 ATOM 3139 H2 TIP3 544 -23.301 21.872 18.073 1.00 0.00 WAT1 ATOM 3140 OH2 TIP3 545 -17.345 35.368 14.774 1.00 0.00 WAT1 ATOM 3141 H1 TIP3 545 -18.271 35.057 14.666 1.00 0.00 WAT1 ATOM 3142 H2 TIP3 545 -17.085 35.640 13.872 1.00 0.00 WAT1 ATOM 3143 OH2 TIP3 546 -23.562 36.321 19.570 1.00 0.00 WAT1 ATOM 3144 H1 TIP3 546 -23.859 35.827 18.770 1.00 0.00 WAT1 ATOM 3145 H2 TIP3 546 -24.212 37.049 19.654 1.00 0.00 WAT1 ATOM 3146 OH2 TIP3 547 -25.384 27.491 17.985 1.00 0.00 WAT1 ATOM 3147 H1 TIP3 547 -25.189 27.084 18.865 1.00 0.00 WAT1 ATOM 3148 H2 TIP3 547 -24.610 28.064 17.812 1.00 0.00 WAT1 ATOM 3149 OH2 TIP3 548 -28.811 25.793 18.412 1.00 0.00 WAT1 ATOM 3150 H1 TIP3 548 -28.675 26.763 18.296 1.00 0.00 WAT1 ATOM 3151 H2 TIP3 548 -28.707 25.660 19.384 1.00 0.00 WAT1 ATOM 3152 OH2 TIP3 549 -20.018 22.296 17.855 1.00 0.00 WAT1 ATOM 3153 H1 TIP3 549 -19.479 21.494 18.044 1.00 0.00 WAT1 ATOM 3154 H2 TIP3 549 -19.733 22.567 16.975 1.00 0.00 WAT1 ATOM 3155 OH2 TIP3 550 -18.699 20.001 13.661 1.00 0.00 WAT1 ATOM 3156 H1 TIP3 550 -18.468 20.677 12.987 1.00 0.00 WAT1 ATOM 3157 H2 TIP3 550 -19.679 20.080 13.756 1.00 0.00 WAT1 ATOM 3158 OH2 TIP3 551 -12.371 24.793 22.335 1.00 0.00 WAT1 ATOM 3159 H1 TIP3 551 -13.002 24.939 21.594 1.00 0.00 WAT1 ATOM 3160 H2 TIP3 551 -12.837 25.127 23.112 1.00 0.00 WAT1 ATOM 3161 OH2 TIP3 552 -19.956 24.623 19.534 1.00 0.00 WAT1 ATOM 3162 H1 TIP3 552 -20.775 25.060 19.208 1.00 0.00 WAT1 ATOM 3163 H2 TIP3 552 -19.947 23.763 19.065 1.00 0.00 WAT1 ATOM 3164 OH2 TIP3 553 -16.841 20.044 15.658 1.00 0.00 WAT1 ATOM 3165 H1 TIP3 553 -17.464 20.000 14.900 1.00 0.00 WAT1 ATOM 3166 H2 TIP3 553 -15.986 19.770 15.283 1.00 0.00 WAT1 ATOM 3167 OH2 TIP3 554 -14.562 24.746 20.719 1.00 0.00 WAT1 ATOM 3168 H1 TIP3 554 -15.276 25.164 20.202 1.00 0.00 WAT1 ATOM 3169 H2 TIP3 554 -14.969 24.577 21.596 1.00 0.00 WAT1 ATOM 3170 OH2 TIP3 555 -14.303 22.864 18.674 1.00 0.00 WAT1 ATOM 3171 H1 TIP3 555 -15.270 22.709 18.685 1.00 0.00 WAT1 ATOM 3172 H2 TIP3 555 -14.153 23.470 19.429 1.00 0.00 WAT1 ATOM 3173 OH2 TIP3 556 -18.087 20.341 18.039 1.00 0.00 WAT1 ATOM 3174 H1 TIP3 556 -17.616 19.663 18.564 1.00 0.00 WAT1 ATOM 3175 H2 TIP3 556 -17.669 20.280 17.145 1.00 0.00 WAT1 ATOM 3176 OH2 TIP3 557 -16.875 22.383 19.387 1.00 0.00 WAT1 ATOM 3177 H1 TIP3 557 -16.481 21.857 20.117 1.00 0.00 WAT1 ATOM 3178 H2 TIP3 557 -17.404 21.731 18.881 1.00 0.00 WAT1 ATOM 3179 OH2 TIP3 558 -24.837 38.122 13.277 1.00 0.00 WAT1 ATOM 3180 H1 TIP3 558 -24.323 38.927 13.523 1.00 0.00 WAT1 ATOM 3181 H2 TIP3 558 -24.745 38.073 12.308 1.00 0.00 WAT1 ATOM 3182 OH2 TIP3 559 -8.919 34.848 17.348 1.00 0.00 WAT1 ATOM 3183 H1 TIP3 559 -8.401 34.168 17.799 1.00 0.00 WAT1 ATOM 3184 H2 TIP3 559 -9.346 34.368 16.605 1.00 0.00 WAT1 ATOM 3185 OH2 TIP3 560 -7.741 30.820 21.589 1.00 0.00 WAT1 ATOM 3186 H1 TIP3 560 -8.366 31.506 21.935 1.00 0.00 WAT1 ATOM 3187 H2 TIP3 560 -7.704 30.994 20.636 1.00 0.00 WAT1 ATOM 3188 OH2 TIP3 561 -13.510 28.558 7.391 1.00 0.00 WAT1 ATOM 3189 H1 TIP3 561 -14.355 28.889 7.739 1.00 0.00 WAT1 ATOM 3190 H2 TIP3 561 -13.719 27.659 7.084 1.00 0.00 WAT1 ATOM 3191 OH2 TIP3 562 -4.808 24.228 6.915 1.00 0.00 WAT1 ATOM 3192 H1 TIP3 562 -5.030 23.834 7.764 1.00 0.00 WAT1 ATOM 3193 H2 TIP3 562 -5.614 24.103 6.375 1.00 0.00 WAT1 ATOM 3194 OH2 TIP3 563 -10.153 30.946 14.049 1.00 0.00 WAT1 ATOM 3195 H1 TIP3 563 -9.349 30.751 13.524 1.00 0.00 WAT1 ATOM 3196 H2 TIP3 563 -10.840 30.372 13.658 1.00 0.00 WAT1 ATOM 3197 OH2 TIP3 564 -10.174 33.031 15.727 1.00 0.00 WAT1 ATOM 3198 H1 TIP3 564 -11.003 33.456 15.404 1.00 0.00 WAT1 ATOM 3199 H2 TIP3 564 -10.059 32.256 15.124 1.00 0.00 WAT1 ATOM 3200 OH2 TIP3 565 -10.621 21.719 18.223 1.00 0.00 WAT1 ATOM 3201 H1 TIP3 565 -9.878 22.074 18.759 1.00 0.00 WAT1 ATOM 3202 H2 TIP3 565 -11.098 22.520 17.912 1.00 0.00 WAT1 ATOM 3203 OH2 TIP3 566 -17.204 33.555 10.863 1.00 0.00 WAT1 ATOM 3204 H1 TIP3 566 -17.502 32.969 10.124 1.00 0.00 WAT1 ATOM 3205 H2 TIP3 566 -16.326 33.876 10.570 1.00 0.00 WAT1 ATOM 3206 OH2 TIP3 567 -26.390 19.832 16.042 1.00 0.00 WAT1 ATOM 3207 H1 TIP3 567 -26.629 19.375 15.205 1.00 0.00 WAT1 ATOM 3208 H2 TIP3 567 -27.256 20.094 16.423 1.00 0.00 WAT1 ATOM 3209 OH2 TIP3 568 -13.784 35.094 12.444 1.00 0.00 WAT1 ATOM 3210 H1 TIP3 568 -14.120 34.799 11.572 1.00 0.00 WAT1 ATOM 3211 H2 TIP3 568 -14.227 35.952 12.595 1.00 0.00 WAT1 ATOM 3212 OH2 TIP3 569 -14.813 34.467 9.908 1.00 0.00 WAT1 ATOM 3213 H1 TIP3 569 -14.651 33.621 9.434 1.00 0.00 WAT1 ATOM 3214 H2 TIP3 569 -14.960 35.116 9.191 1.00 0.00 WAT1 ATOM 3215 OH2 TIP3 570 -23.410 32.598 2.182 1.00 0.00 WAT1 ATOM 3216 H1 TIP3 570 -23.784 31.720 2.437 1.00 0.00 WAT1 ATOM 3217 H2 TIP3 570 -22.514 32.396 1.899 1.00 0.00 WAT1 ATOM 3218 OH2 TIP3 571 -15.606 21.064 21.424 1.00 0.00 WAT1 ATOM 3219 H1 TIP3 571 -16.255 21.467 22.043 1.00 0.00 WAT1 ATOM 3220 H2 TIP3 571 -14.740 21.381 21.746 1.00 0.00 WAT1 ATOM 3221 OH2 TIP3 572 -11.429 32.319 19.457 1.00 0.00 WAT1 ATOM 3222 H1 TIP3 572 -11.716 32.560 20.368 1.00 0.00 WAT1 ATOM 3223 H2 TIP3 572 -11.833 31.434 19.303 1.00 0.00 WAT1 ATOM 3224 OH2 TIP3 573 -24.643 28.685 21.787 1.00 0.00 WAT1 ATOM 3225 H1 TIP3 573 -25.588 28.681 21.502 1.00 0.00 WAT1 ATOM 3226 H2 TIP3 573 -24.665 29.059 22.676 1.00 0.00 WAT1 ATOM 3227 OH2 TIP3 574 -14.979 30.764 21.473 1.00 0.00 WAT1 ATOM 3228 H1 TIP3 574 -15.239 31.450 20.839 1.00 0.00 WAT1 ATOM 3229 H2 TIP3 574 -15.386 29.947 21.121 1.00 0.00 WAT1 ATOM 3230 OH2 TIP3 575 -12.199 29.752 19.009 1.00 0.00 WAT1 ATOM 3231 H1 TIP3 575 -13.098 29.390 18.820 1.00 0.00 WAT1 ATOM 3232 H2 TIP3 575 -11.781 29.071 19.551 1.00 0.00 WAT1 ATOM 3233 OH2 TIP3 576 -14.607 28.568 18.640 1.00 0.00 WAT1 ATOM 3234 H1 TIP3 576 -15.363 28.557 19.263 1.00 0.00 WAT1 ATOM 3235 H2 TIP3 576 -15.004 28.337 17.776 1.00 0.00 WAT1 ATOM 3236 OH2 TIP3 577 -13.647 31.472 26.147 1.00 0.00 WAT1 ATOM 3237 H1 TIP3 577 -14.180 31.069 26.835 1.00 0.00 WAT1 ATOM 3238 H2 TIP3 577 -14.233 31.474 25.357 1.00 0.00 WAT1 ATOM 3239 OH2 TIP3 578 -9.026 36.625 25.155 1.00 0.00 WAT1 ATOM 3240 H1 TIP3 578 -9.418 37.081 24.371 1.00 0.00 WAT1 ATOM 3241 H2 TIP3 578 -8.597 37.331 25.644 1.00 0.00 WAT1 ATOM 3242 OH2 TIP3 579 -17.119 35.188 23.005 1.00 0.00 WAT1 ATOM 3243 H1 TIP3 579 -18.038 35.387 22.717 1.00 0.00 WAT1 ATOM 3244 H2 TIP3 579 -16.738 36.078 23.206 1.00 0.00 WAT1 ATOM 3245 OH2 TIP3 580 -9.420 33.928 25.107 1.00 0.00 WAT1 ATOM 3246 H1 TIP3 580 -8.852 33.758 25.863 1.00 0.00 WAT1 ATOM 3247 H2 TIP3 580 -9.403 34.912 25.012 1.00 0.00 WAT1 ATOM 3248 OH2 TIP3 581 -9.155 28.142 21.849 1.00 0.00 WAT1 ATOM 3249 H1 TIP3 581 -9.041 29.023 22.240 1.00 0.00 WAT1 ATOM 3250 H2 TIP3 581 -9.326 28.326 20.896 1.00 0.00 WAT1 ATOM 3251 OH2 TIP3 582 -17.504 22.550 22.792 1.00 0.00 WAT1 ATOM 3252 H1 TIP3 582 -18.072 22.195 23.507 1.00 0.00 WAT1 ATOM 3253 H2 TIP3 582 -18.083 23.193 22.335 1.00 0.00 WAT1 ATOM 3254 OH2 TIP3 583 -19.292 24.633 22.244 1.00 0.00 WAT1 ATOM 3255 H1 TIP3 583 -18.778 25.454 22.347 1.00 0.00 WAT1 ATOM 3256 H2 TIP3 583 -19.593 24.654 21.309 1.00 0.00 WAT1 ATOM 3257 OH2 TIP3 584 -19.884 22.699 24.193 1.00 0.00 WAT1 ATOM 3258 H1 TIP3 584 -19.841 23.477 23.603 1.00 0.00 WAT1 ATOM 3259 H2 TIP3 584 -20.823 22.534 24.299 1.00 0.00 WAT1 ATOM 3260 OH2 TIP3 585 -16.602 28.755 20.559 1.00 0.00 WAT1 ATOM 3261 H1 TIP3 585 -16.717 28.003 21.179 1.00 0.00 WAT1 ATOM 3262 H2 TIP3 585 -17.421 29.282 20.669 1.00 0.00 WAT1 ATOM 3263 OH2 TIP3 586 -15.567 24.404 23.253 1.00 0.00 WAT1 ATOM 3264 H1 TIP3 586 -16.305 23.759 23.167 1.00 0.00 WAT1 ATOM 3265 H2 TIP3 586 -15.015 24.033 23.980 1.00 0.00 WAT1 ATOM 3266 OH2 TIP3 587 -14.048 22.779 24.811 1.00 0.00 WAT1 ATOM 3267 H1 TIP3 587 -13.647 22.345 24.031 1.00 0.00 WAT1 ATOM 3268 H2 TIP3 587 -14.028 22.104 25.497 1.00 0.00 WAT1 ATOM 3269 OH2 TIP3 588 -15.406 31.491 24.035 1.00 0.00 WAT1 ATOM 3270 H1 TIP3 588 -15.113 31.090 23.181 1.00 0.00 WAT1 ATOM 3271 H2 TIP3 588 -16.369 31.569 23.942 1.00 0.00 WAT1 ATOM 3272 OH2 TIP3 589 -8.108 23.665 23.662 1.00 0.00 WAT1 ATOM 3273 H1 TIP3 589 -8.640 24.305 23.140 1.00 0.00 WAT1 ATOM 3274 H2 TIP3 589 -7.888 24.144 24.467 1.00 0.00 WAT1 ATOM 3275 OH2 TIP3 590 -11.930 32.850 24.535 1.00 0.00 WAT1 ATOM 3276 H1 TIP3 590 -11.131 33.223 24.953 1.00 0.00 WAT1 ATOM 3277 H2 TIP3 590 -12.396 32.390 25.266 1.00 0.00 WAT1 ATOM 3278 OH2 TIP3 591 -24.394 26.404 20.237 1.00 0.00 WAT1 ATOM 3279 H1 TIP3 591 -23.516 26.004 20.114 1.00 0.00 WAT1 ATOM 3280 H2 TIP3 591 -24.253 27.098 20.910 1.00 0.00 WAT1 ATOM 3281 OH2 TIP3 592 -22.184 32.071 21.740 1.00 0.00 WAT1 ATOM 3282 H1 TIP3 592 -21.646 32.644 22.333 1.00 0.00 WAT1 ATOM 3283 H2 TIP3 592 -21.829 31.167 21.898 1.00 0.00 WAT1 ATOM 3284 OH2 TIP3 593 -9.447 32.688 22.573 1.00 0.00 WAT1 ATOM 3285 H1 TIP3 593 -9.380 33.095 23.462 1.00 0.00 WAT1 ATOM 3286 H2 TIP3 593 -10.328 32.952 22.258 1.00 0.00 WAT1 ATOM 3287 OH2 TIP3 594 -16.807 32.732 20.363 1.00 0.00 WAT1 ATOM 3288 H1 TIP3 594 -16.913 32.634 21.326 1.00 0.00 WAT1 ATOM 3289 H2 TIP3 594 -17.584 33.296 20.092 1.00 0.00 WAT1 ATOM 3290 OH2 TIP3 595 -23.690 30.533 19.945 1.00 0.00 WAT1 ATOM 3291 H1 TIP3 595 -23.938 29.820 20.574 1.00 0.00 WAT1 ATOM 3292 H2 TIP3 595 -23.120 31.130 20.476 1.00 0.00 WAT1 ATOM 3293 OH2 TIP3 596 -14.827 33.783 22.549 1.00 0.00 WAT1 ATOM 3294 H1 TIP3 596 -14.785 33.072 23.217 1.00 0.00 WAT1 ATOM 3295 H2 TIP3 596 -15.531 34.377 22.876 1.00 0.00 WAT1 ATOM 3296 OH2 TIP3 597 -17.970 32.536 22.948 1.00 0.00 WAT1 ATOM 3297 H1 TIP3 597 -17.552 33.413 23.088 1.00 0.00 WAT1 ATOM 3298 H2 TIP3 597 -18.911 32.684 23.186 1.00 0.00 WAT1 ATOM 3299 OH2 TIP3 598 -21.061 29.570 21.852 1.00 0.00 WAT1 ATOM 3300 H1 TIP3 598 -20.889 28.663 22.118 1.00 0.00 WAT1 ATOM 3301 H2 TIP3 598 -20.201 29.884 21.495 1.00 0.00 WAT1 ATOM 3302 OH2 TIP3 599 -12.218 33.246 21.925 1.00 0.00 WAT1 ATOM 3303 H1 TIP3 599 -12.102 32.990 22.875 1.00 0.00 WAT1 ATOM 3304 H2 TIP3 599 -13.167 33.497 21.866 1.00 0.00 WAT1 ATOM 3305 OH2 TIP3 600 -17.052 26.488 22.099 1.00 0.00 WAT1 ATOM 3306 H1 TIP3 600 -16.485 25.964 22.699 1.00 0.00 WAT1 ATOM 3307 H2 TIP3 600 -17.063 25.968 21.263 1.00 0.00 WAT1 ATOM 3308 OH2 TIP3 601 -17.245 24.993 19.880 1.00 0.00 WAT1 ATOM 3309 H1 TIP3 601 -18.172 25.125 19.597 1.00 0.00 WAT1 ATOM 3310 H2 TIP3 601 -17.058 24.056 19.643 1.00 0.00 WAT1 ATOM 3311 OH2 TIP3 602 -9.494 29.037 19.312 1.00 0.00 WAT1 ATOM 3312 H1 TIP3 602 -10.074 29.669 18.857 1.00 0.00 WAT1 ATOM 3313 H2 TIP3 602 -8.594 29.298 19.036 1.00 0.00 WAT1 ATOM 3314 OH2 TIP3 603 -27.207 28.909 20.879 1.00 0.00 WAT1 ATOM 3315 H1 TIP3 603 -27.314 29.882 20.971 1.00 0.00 WAT1 ATOM 3316 H2 TIP3 603 -27.553 28.715 19.981 1.00 0.00 WAT1 ATOM 3317 OH2 TIP3 604 -9.686 25.415 22.197 1.00 0.00 WAT1 ATOM 3318 H1 TIP3 604 -9.652 26.398 22.169 1.00 0.00 WAT1 ATOM 3319 H2 TIP3 604 -10.647 25.207 22.209 1.00 0.00 WAT1 ATOM 3320 OH2 TIP3 605 -13.031 22.073 22.341 1.00 0.00 WAT1 ATOM 3321 H1 TIP3 605 -12.709 23.000 22.285 1.00 0.00 WAT1 ATOM 3322 H2 TIP3 605 -12.395 21.571 21.817 1.00 0.00 WAT1 ATOM 3323 OH2 TIP3 606 -12.161 23.771 17.256 1.00 0.00 WAT1 ATOM 3324 H1 TIP3 606 -12.972 23.478 17.725 1.00 0.00 WAT1 ATOM 3325 H2 TIP3 606 -12.496 24.308 16.516 1.00 0.00 WAT1 ATOM 3326 OH2 TIP3 607 -5.222 19.536 18.416 1.00 0.00 WAT1 ATOM 3327 H1 TIP3 607 -6.008 20.084 18.519 1.00 0.00 WAT1 ATOM 3328 H2 TIP3 607 -4.488 20.184 18.293 1.00 0.00 WAT1 ATOM 3329 OH2 TIP3 608 -26.296 33.611 22.555 1.00 0.00 WAT1 ATOM 3330 H1 TIP3 608 -26.183 34.126 23.359 1.00 0.00 WAT1 ATOM 3331 H2 TIP3 608 -25.490 33.806 22.028 1.00 0.00 WAT1 ATOM 3332 OH2 TIP3 609 -18.676 30.530 21.008 1.00 0.00 WAT1 ATOM 3333 H1 TIP3 609 -18.565 31.081 20.216 1.00 0.00 WAT1 ATOM 3334 H2 TIP3 609 -18.401 31.114 21.745 1.00 0.00 WAT1 ATOM 3335 OH2 TIP3 610 -18.372 47.729 -23.200 1.00 0.00 WAT1 ATOM 3336 H1 TIP3 610 -17.888 48.491 -23.555 1.00 0.00 WAT1 ATOM 3337 H2 TIP3 610 -18.634 48.016 -22.303 1.00 0.00 WAT1 ATOM 3338 OH2 TIP3 611 -21.127 49.775 -21.299 1.00 0.00 WAT1 ATOM 3339 H1 TIP3 611 -20.204 49.458 -21.169 1.00 0.00 WAT1 ATOM 3340 H2 TIP3 611 -21.482 49.194 -22.010 1.00 0.00 WAT1 ATOM 3341 OH2 TIP3 612 -22.929 45.717 -24.764 1.00 0.00 WAT1 ATOM 3342 H1 TIP3 612 -23.045 44.768 -24.546 1.00 0.00 WAT1 ATOM 3343 H2 TIP3 612 -22.498 45.705 -25.642 1.00 0.00 WAT1 ATOM 3344 OH2 TIP3 613 -16.952 45.729 -20.700 1.00 0.00 WAT1 ATOM 3345 H1 TIP3 613 -16.309 46.397 -20.387 1.00 0.00 WAT1 ATOM 3346 H2 TIP3 613 -16.840 44.981 -20.075 1.00 0.00 WAT1 ATOM 3347 OH2 TIP3 614 -11.352 38.619 -22.497 1.00 0.00 WAT1 ATOM 3348 H1 TIP3 614 -11.072 38.059 -21.748 1.00 0.00 WAT1 ATOM 3349 H2 TIP3 614 -11.966 38.053 -23.002 1.00 0.00 WAT1 ATOM 3350 OH2 TIP3 615 -15.836 44.179 -23.997 1.00 0.00 WAT1 ATOM 3351 H1 TIP3 615 -15.906 43.931 -24.941 1.00 0.00 WAT1 ATOM 3352 H2 TIP3 615 -15.313 43.443 -23.597 1.00 0.00 WAT1 ATOM 3353 OH2 TIP3 616 -21.967 40.702 -23.660 1.00 0.00 WAT1 ATOM 3354 H1 TIP3 616 -21.126 40.782 -23.148 1.00 0.00 WAT1 ATOM 3355 H2 TIP3 616 -22.378 39.898 -23.314 1.00 0.00 WAT1 ATOM 3356 OH2 TIP3 617 -15.823 42.845 -26.537 1.00 0.00 WAT1 ATOM 3357 H1 TIP3 617 -16.003 42.435 -27.389 1.00 0.00 WAT1 ATOM 3358 H2 TIP3 617 -15.195 43.578 -26.751 1.00 0.00 WAT1 ATOM 3359 OH2 TIP3 618 -23.228 42.957 -24.694 1.00 0.00 WAT1 ATOM 3360 H1 TIP3 618 -22.761 42.199 -24.280 1.00 0.00 WAT1 ATOM 3361 H2 TIP3 618 -23.107 42.814 -25.656 1.00 0.00 WAT1 ATOM 3362 OH2 TIP3 619 -10.289 36.821 -20.585 1.00 0.00 WAT1 ATOM 3363 H1 TIP3 619 -9.905 36.500 -21.434 1.00 0.00 WAT1 ATOM 3364 H2 TIP3 619 -10.774 36.045 -20.238 1.00 0.00 WAT1 ATOM 3365 OH2 TIP3 620 -10.100 40.670 -23.650 1.00 0.00 WAT1 ATOM 3366 H1 TIP3 620 -10.598 39.942 -23.194 1.00 0.00 WAT1 ATOM 3367 H2 TIP3 620 -9.857 40.288 -24.502 1.00 0.00 WAT1 ATOM 3368 OH2 TIP3 621 -22.979 47.078 -18.761 1.00 0.00 WAT1 ATOM 3369 H1 TIP3 621 -23.882 47.396 -18.520 1.00 0.00 WAT1 ATOM 3370 H2 TIP3 621 -23.111 46.630 -19.629 1.00 0.00 WAT1 ATOM 3371 OH2 TIP3 622 -14.526 40.736 -20.627 1.00 0.00 WAT1 ATOM 3372 H1 TIP3 622 -13.766 41.278 -20.312 1.00 0.00 WAT1 ATOM 3373 H2 TIP3 622 -14.342 39.847 -20.282 1.00 0.00 WAT1 ATOM 3374 OH2 TIP3 623 -18.230 52.823 -22.565 1.00 0.00 WAT1 ATOM 3375 H1 TIP3 623 -19.102 52.705 -22.121 1.00 0.00 WAT1 ATOM 3376 H2 TIP3 623 -18.258 53.722 -22.900 1.00 0.00 WAT1 ATOM 3377 OH2 TIP3 624 -14.110 44.393 -20.198 1.00 0.00 WAT1 ATOM 3378 H1 TIP3 624 -14.952 44.031 -19.857 1.00 0.00 WAT1 ATOM 3379 H2 TIP3 624 -13.463 43.666 -20.058 1.00 0.00 WAT1 ATOM 3380 OH2 TIP3 625 -19.644 45.748 -25.371 1.00 0.00 WAT1 ATOM 3381 H1 TIP3 625 -19.822 46.696 -25.373 1.00 0.00 WAT1 ATOM 3382 H2 TIP3 625 -20.255 45.386 -26.049 1.00 0.00 WAT1 ATOM 3383 OH2 TIP3 626 -17.103 50.336 -22.589 1.00 0.00 WAT1 ATOM 3384 H1 TIP3 626 -17.503 51.237 -22.657 1.00 0.00 WAT1 ATOM 3385 H2 TIP3 626 -16.151 50.498 -22.596 1.00 0.00 WAT1 ATOM 3386 OH2 TIP3 627 -13.970 48.470 -21.677 1.00 0.00 WAT1 ATOM 3387 H1 TIP3 627 -14.436 48.095 -20.902 1.00 0.00 WAT1 ATOM 3388 H2 TIP3 627 -13.901 47.723 -22.294 1.00 0.00 WAT1 ATOM 3389 OH2 TIP3 628 -19.833 47.306 -17.306 1.00 0.00 WAT1 ATOM 3390 H1 TIP3 628 -19.611 47.644 -18.179 1.00 0.00 WAT1 ATOM 3391 H2 TIP3 628 -18.966 47.222 -16.855 1.00 0.00 WAT1 ATOM 3392 OH2 TIP3 629 -18.775 52.615 -15.485 1.00 0.00 WAT1 ATOM 3393 H1 TIP3 629 -19.106 51.965 -16.143 1.00 0.00 WAT1 ATOM 3394 H2 TIP3 629 -19.546 53.191 -15.314 1.00 0.00 WAT1 ATOM 3395 OH2 TIP3 630 -20.903 45.128 -29.812 1.00 0.00 WAT1 ATOM 3396 H1 TIP3 630 -20.229 44.552 -30.186 1.00 0.00 WAT1 ATOM 3397 H2 TIP3 630 -21.089 45.764 -30.511 1.00 0.00 WAT1 ATOM 3398 OH2 TIP3 631 -24.053 45.691 -20.835 1.00 0.00 WAT1 ATOM 3399 H1 TIP3 631 -24.394 45.765 -21.751 1.00 0.00 WAT1 ATOM 3400 H2 TIP3 631 -24.854 45.551 -20.296 1.00 0.00 WAT1 ATOM 3401 OH2 TIP3 632 -17.577 49.341 -18.302 1.00 0.00 WAT1 ATOM 3402 H1 TIP3 632 -16.879 50.038 -18.324 1.00 0.00 WAT1 ATOM 3403 H2 TIP3 632 -17.302 48.747 -17.571 1.00 0.00 WAT1 ATOM 3404 OH2 TIP3 633 -12.410 42.281 -19.838 1.00 0.00 WAT1 ATOM 3405 H1 TIP3 633 -11.586 42.670 -20.195 1.00 0.00 WAT1 ATOM 3406 H2 TIP3 633 -12.099 41.674 -19.125 1.00 0.00 WAT1 ATOM 3407 OH2 TIP3 634 -24.006 50.953 -18.050 1.00 0.00 WAT1 ATOM 3408 H1 TIP3 634 -24.380 50.452 -17.292 1.00 0.00 WAT1 ATOM 3409 H2 TIP3 634 -23.192 50.455 -18.289 1.00 0.00 WAT1 ATOM 3410 OH2 TIP3 635 -21.586 44.934 -27.138 1.00 0.00 WAT1 ATOM 3411 H1 TIP3 635 -21.969 44.030 -27.180 1.00 0.00 WAT1 ATOM 3412 H2 TIP3 635 -21.349 45.132 -28.070 1.00 0.00 WAT1 ATOM 3413 OH2 TIP3 636 -14.231 44.926 -27.108 1.00 0.00 WAT1 ATOM 3414 H1 TIP3 636 -13.628 45.142 -26.358 1.00 0.00 WAT1 ATOM 3415 H2 TIP3 636 -14.082 45.635 -27.740 1.00 0.00 WAT1 ATOM 3416 OH2 TIP3 637 -14.354 42.108 -23.061 1.00 0.00 WAT1 ATOM 3417 H1 TIP3 637 -13.411 42.376 -23.138 1.00 0.00 WAT1 ATOM 3418 H2 TIP3 637 -14.391 41.599 -22.227 1.00 0.00 WAT1 ATOM 3419 OH2 TIP3 638 -23.538 38.100 -26.938 1.00 0.00 WAT1 ATOM 3420 H1 TIP3 638 -23.285 37.754 -27.821 1.00 0.00 WAT1 ATOM 3421 H2 TIP3 638 -23.014 38.915 -26.843 1.00 0.00 WAT1 ATOM 3422 OH2 TIP3 639 -19.715 40.591 -22.094 1.00 0.00 WAT1 ATOM 3423 H1 TIP3 639 -18.810 40.954 -21.951 1.00 0.00 WAT1 ATOM 3424 H2 TIP3 639 -19.712 39.759 -21.605 1.00 0.00 WAT1 ATOM 3425 OH2 TIP3 640 -22.643 42.431 -27.379 1.00 0.00 WAT1 ATOM 3426 H1 TIP3 640 -23.195 42.190 -28.131 1.00 0.00 WAT1 ATOM 3427 H2 TIP3 640 -22.216 41.581 -27.110 1.00 0.00 WAT1 ATOM 3428 OH2 TIP3 641 -20.032 38.035 -26.735 1.00 0.00 WAT1 ATOM 3429 H1 TIP3 641 -20.089 37.828 -27.676 1.00 0.00 WAT1 ATOM 3430 H2 TIP3 641 -20.327 37.206 -26.290 1.00 0.00 WAT1 ATOM 3431 OH2 TIP3 642 -17.296 41.166 -20.998 1.00 0.00 WAT1 ATOM 3432 H1 TIP3 642 -16.323 41.097 -20.947 1.00 0.00 WAT1 ATOM 3433 H2 TIP3 642 -17.613 40.658 -20.220 1.00 0.00 WAT1 ATOM 3434 OH2 TIP3 643 -21.725 40.146 -26.338 1.00 0.00 WAT1 ATOM 3435 H1 TIP3 643 -21.034 39.452 -26.436 1.00 0.00 WAT1 ATOM 3436 H2 TIP3 643 -21.742 40.333 -25.376 1.00 0.00 WAT1 ATOM 3437 OH2 TIP3 644 -16.550 43.646 -18.991 1.00 0.00 WAT1 ATOM 3438 H1 TIP3 644 -17.453 43.528 -18.656 1.00 0.00 WAT1 ATOM 3439 H2 TIP3 644 -16.065 42.857 -18.641 1.00 0.00 WAT1 ATOM 3440 OH2 TIP3 645 -21.997 48.089 -23.385 1.00 0.00 WAT1 ATOM 3441 H1 TIP3 645 -22.460 48.688 -23.983 1.00 0.00 WAT1 ATOM 3442 H2 TIP3 645 -22.290 47.202 -23.663 1.00 0.00 WAT1 ATOM 3443 OH2 TIP3 646 -15.765 51.370 -18.456 1.00 0.00 WAT1 ATOM 3444 H1 TIP3 646 -14.897 50.977 -18.183 1.00 0.00 WAT1 ATOM 3445 H2 TIP3 646 -15.549 51.904 -19.227 1.00 0.00 WAT1 ATOM 3446 OH2 TIP3 647 -12.585 45.532 -25.039 1.00 0.00 WAT1 ATOM 3447 H1 TIP3 647 -11.877 44.920 -24.806 1.00 0.00 WAT1 ATOM 3448 H2 TIP3 647 -13.008 45.743 -24.186 1.00 0.00 WAT1 ATOM 3449 OH2 TIP3 648 -20.685 52.538 -21.379 1.00 0.00 WAT1 ATOM 3450 H1 TIP3 648 -20.860 51.572 -21.384 1.00 0.00 WAT1 ATOM 3451 H2 TIP3 648 -21.490 52.922 -21.022 1.00 0.00 WAT1 ATOM 3452 OH2 TIP3 649 -23.829 51.449 -26.383 1.00 0.00 WAT1 ATOM 3453 H1 TIP3 649 -24.699 51.809 -26.569 1.00 0.00 WAT1 ATOM 3454 H2 TIP3 649 -23.258 51.853 -27.038 1.00 0.00 WAT1 ATOM 3455 OH2 TIP3 650 -18.593 48.941 -20.771 1.00 0.00 WAT1 ATOM 3456 H1 TIP3 650 -18.220 49.033 -19.864 1.00 0.00 WAT1 ATOM 3457 H2 TIP3 650 -17.968 49.451 -21.339 1.00 0.00 WAT1 ATOM 3458 OH2 TIP3 651 -13.957 45.760 -22.584 1.00 0.00 WAT1 ATOM 3459 H1 TIP3 651 -14.707 45.414 -23.111 1.00 0.00 WAT1 ATOM 3460 H2 TIP3 651 -14.007 45.256 -21.741 1.00 0.00 WAT1 ATOM 3461 OH2 TIP3 652 -21.744 49.532 -18.649 1.00 0.00 WAT1 ATOM 3462 H1 TIP3 652 -22.011 48.590 -18.590 1.00 0.00 WAT1 ATOM 3463 H2 TIP3 652 -21.595 49.678 -19.612 1.00 0.00 WAT1 ATOM 3464 OH2 TIP3 653 -17.319 38.956 -26.551 1.00 0.00 WAT1 ATOM 3465 H1 TIP3 653 -17.035 39.542 -25.816 1.00 0.00 WAT1 ATOM 3466 H2 TIP3 653 -18.271 38.817 -26.393 1.00 0.00 WAT1 ATOM 3467 OH2 TIP3 654 -16.063 37.136 -28.044 1.00 0.00 WAT1 ATOM 3468 H1 TIP3 654 -15.167 37.488 -27.992 1.00 0.00 WAT1 ATOM 3469 H2 TIP3 654 -16.603 37.777 -27.510 1.00 0.00 WAT1 ATOM 3470 OH2 TIP3 655 -11.462 40.510 -18.021 1.00 0.00 WAT1 ATOM 3471 H1 TIP3 655 -10.848 39.795 -18.311 1.00 0.00 WAT1 ATOM 3472 H2 TIP3 655 -11.131 40.761 -17.144 1.00 0.00 WAT1 ATOM 3473 OH2 TIP3 656 -11.673 42.929 -23.187 1.00 0.00 WAT1 ATOM 3474 H1 TIP3 656 -11.190 43.268 -22.411 1.00 0.00 WAT1 ATOM 3475 H2 TIP3 656 -11.138 42.165 -23.484 1.00 0.00 WAT1 ATOM 3476 OH2 TIP3 657 -25.420 53.556 -14.414 1.00 0.00 WAT1 ATOM 3477 H1 TIP3 657 -24.718 53.485 -13.736 1.00 0.00 WAT1 ATOM 3478 H2 TIP3 657 -24.929 53.495 -15.266 1.00 0.00 WAT1 ATOM 3479 OH2 TIP3 658 -21.239 53.922 -15.008 1.00 0.00 WAT1 ATOM 3480 H1 TIP3 658 -21.815 53.480 -14.347 1.00 0.00 WAT1 ATOM 3481 H2 TIP3 658 -21.199 54.837 -14.711 1.00 0.00 WAT1 ATOM 3482 OH2 TIP3 659 -14.842 46.976 -19.574 1.00 0.00 WAT1 ATOM 3483 H1 TIP3 659 -14.391 46.118 -19.729 1.00 0.00 WAT1 ATOM 3484 H2 TIP3 659 -14.878 47.054 -18.600 1.00 0.00 WAT1 ATOM 3485 OH2 TIP3 660 -17.275 47.491 -16.274 1.00 0.00 WAT1 ATOM 3486 H1 TIP3 660 -16.416 47.051 -16.465 1.00 0.00 WAT1 ATOM 3487 H2 TIP3 660 -17.251 47.649 -15.319 1.00 0.00 WAT1 ATOM 3488 OH2 TIP3 661 -14.768 46.468 -16.874 1.00 0.00 WAT1 ATOM 3489 H1 TIP3 661 -13.863 46.850 -16.845 1.00 0.00 WAT1 ATOM 3490 H2 TIP3 661 -14.634 45.529 -16.697 1.00 0.00 WAT1 ATOM 3491 OH2 TIP3 662 -12.003 48.438 -19.684 1.00 0.00 WAT1 ATOM 3492 H1 TIP3 662 -12.651 48.843 -20.293 1.00 0.00 WAT1 ATOM 3493 H2 TIP3 662 -11.612 47.709 -20.211 1.00 0.00 WAT1 ATOM 3494 OH2 TIP3 663 -25.285 45.731 -23.287 1.00 0.00 WAT1 ATOM 3495 H1 TIP3 663 -24.560 45.952 -23.910 1.00 0.00 WAT1 ATOM 3496 H2 TIP3 663 -26.035 46.264 -23.594 1.00 0.00 WAT1 ATOM 3497 OH2 TIP3 664 -9.944 45.207 -18.692 1.00 0.00 WAT1 ATOM 3498 H1 TIP3 664 -10.447 45.818 -19.254 1.00 0.00 WAT1 ATOM 3499 H2 TIP3 664 -9.714 45.740 -17.904 1.00 0.00 WAT1 ATOM 3500 OH2 TIP3 665 -11.359 46.151 -21.077 1.00 0.00 WAT1 ATOM 3501 H1 TIP3 665 -12.124 46.103 -21.674 1.00 0.00 WAT1 ATOM 3502 H2 TIP3 665 -10.890 45.308 -21.223 1.00 0.00 WAT1 ATOM 3503 OH2 TIP3 666 -10.217 43.632 -20.880 1.00 0.00 WAT1 ATOM 3504 H1 TIP3 666 -9.930 44.071 -20.043 1.00 0.00 WAT1 ATOM 3505 H2 TIP3 666 -9.537 42.929 -21.028 1.00 0.00 WAT1 ATOM 3506 OH2 TIP3 667 -8.745 41.437 -21.347 1.00 0.00 WAT1 ATOM 3507 H1 TIP3 667 -9.093 41.154 -22.218 1.00 0.00 WAT1 ATOM 3508 H2 TIP3 667 -8.556 40.612 -20.887 1.00 0.00 WAT1 ATOM 3509 OH2 TIP3 668 -25.375 41.381 -20.836 1.00 0.00 WAT1 ATOM 3510 H1 TIP3 668 -24.590 41.708 -20.352 1.00 0.00 WAT1 ATOM 3511 H2 TIP3 668 -25.438 41.975 -21.622 1.00 0.00 WAT1 ATOM 3512 OH2 TIP3 669 -26.237 36.980 -20.314 1.00 0.00 WAT1 ATOM 3513 H1 TIP3 669 -25.957 37.788 -19.825 1.00 0.00 WAT1 ATOM 3514 H2 TIP3 669 -25.507 36.358 -20.185 1.00 0.00 WAT1 ATOM 3515 OH2 TIP3 670 -19.693 50.589 -17.110 1.00 0.00 WAT1 ATOM 3516 H1 TIP3 670 -20.471 50.333 -17.652 1.00 0.00 WAT1 ATOM 3517 H2 TIP3 670 -18.928 50.214 -17.600 1.00 0.00 WAT1 ATOM 3518 OH2 TIP3 671 -12.459 38.286 -16.312 1.00 0.00 WAT1 ATOM 3519 H1 TIP3 671 -12.425 38.783 -17.145 1.00 0.00 WAT1 ATOM 3520 H2 TIP3 671 -12.617 37.358 -16.596 1.00 0.00 WAT1 ATOM 3521 OH2 TIP3 672 -16.302 40.834 -24.741 1.00 0.00 WAT1 ATOM 3522 H1 TIP3 672 -16.191 41.527 -25.422 1.00 0.00 WAT1 ATOM 3523 H2 TIP3 672 -15.687 41.101 -24.033 1.00 0.00 WAT1 ATOM 3524 OH2 TIP3 673 -11.814 35.556 -25.382 1.00 0.00 WAT1 ATOM 3525 H1 TIP3 673 -12.400 34.859 -25.742 1.00 0.00 WAT1 ATOM 3526 H2 TIP3 673 -12.425 36.159 -24.901 1.00 0.00 WAT1 ATOM 3527 OH2 TIP3 674 -22.551 37.173 -29.333 1.00 0.00 WAT1 ATOM 3528 H1 TIP3 674 -22.790 37.063 -30.257 1.00 0.00 WAT1 ATOM 3529 H2 TIP3 674 -22.126 36.319 -29.091 1.00 0.00 WAT1 ATOM 3530 OH2 TIP3 675 -17.540 36.141 -30.150 1.00 0.00 WAT1 ATOM 3531 H1 TIP3 675 -16.996 36.482 -29.409 1.00 0.00 WAT1 ATOM 3532 H2 TIP3 675 -17.405 36.780 -30.854 1.00 0.00 WAT1 ATOM 3533 OH2 TIP3 676 -13.472 31.484 -25.129 1.00 0.00 WAT1 ATOM 3534 H1 TIP3 676 -13.889 30.915 -25.782 1.00 0.00 WAT1 ATOM 3535 H2 TIP3 676 -13.412 32.357 -25.574 1.00 0.00 WAT1 ATOM 3536 OH2 TIP3 677 -17.070 45.240 -8.037 1.00 0.00 WAT1 ATOM 3537 H1 TIP3 677 -16.232 45.514 -7.623 1.00 0.00 WAT1 ATOM 3538 H2 TIP3 677 -17.287 44.402 -7.591 1.00 0.00 WAT1 ATOM 3539 OH2 TIP3 678 -21.108 46.157 -6.414 1.00 0.00 WAT1 ATOM 3540 H1 TIP3 678 -21.095 45.773 -5.512 1.00 0.00 WAT1 ATOM 3541 H2 TIP3 678 -20.232 46.590 -6.501 1.00 0.00 WAT1 ATOM 3542 OH2 TIP3 679 -13.181 46.205 -7.527 1.00 0.00 WAT1 ATOM 3543 H1 TIP3 679 -13.765 45.874 -6.805 1.00 0.00 WAT1 ATOM 3544 H2 TIP3 679 -12.273 46.003 -7.215 1.00 0.00 WAT1 ATOM 3545 OH2 TIP3 680 -23.242 50.653 -7.030 1.00 0.00 WAT1 ATOM 3546 H1 TIP3 680 -23.235 49.688 -6.869 1.00 0.00 WAT1 ATOM 3547 H2 TIP3 680 -22.459 50.807 -7.585 1.00 0.00 WAT1 ATOM 3548 OH2 TIP3 681 -14.056 46.692 -10.015 1.00 0.00 WAT1 ATOM 3549 H1 TIP3 681 -13.771 46.659 -9.071 1.00 0.00 WAT1 ATOM 3550 H2 TIP3 681 -13.372 46.161 -10.488 1.00 0.00 WAT1 ATOM 3551 OH2 TIP3 682 -9.499 41.730 -3.723 1.00 0.00 WAT1 ATOM 3552 H1 TIP3 682 -9.843 40.831 -3.889 1.00 0.00 WAT1 ATOM 3553 H2 TIP3 682 -10.127 42.103 -3.058 1.00 0.00 WAT1 ATOM 3554 OH2 TIP3 683 -18.566 47.203 -6.833 1.00 0.00 WAT1 ATOM 3555 H1 TIP3 683 -18.156 46.435 -7.282 1.00 0.00 WAT1 ATOM 3556 H2 TIP3 683 -18.558 47.911 -7.521 1.00 0.00 WAT1 ATOM 3557 OH2 TIP3 684 -20.870 45.504 -3.751 1.00 0.00 WAT1 ATOM 3558 H1 TIP3 684 -19.950 45.742 -3.502 1.00 0.00 WAT1 ATOM 3559 H2 TIP3 684 -21.417 46.207 -3.343 1.00 0.00 WAT1 ATOM 3560 OH2 TIP3 685 -22.400 47.582 -2.645 1.00 0.00 WAT1 ATOM 3561 H1 TIP3 685 -22.748 48.505 -2.701 1.00 0.00 WAT1 ATOM 3562 H2 TIP3 685 -21.686 47.634 -1.979 1.00 0.00 WAT1 ATOM 3563 OH2 TIP3 686 -24.081 46.927 -11.671 1.00 0.00 WAT1 ATOM 3564 H1 TIP3 686 -24.792 47.534 -11.942 1.00 0.00 WAT1 ATOM 3565 H2 TIP3 686 -23.680 47.364 -10.897 1.00 0.00 WAT1 ATOM 3566 OH2 TIP3 687 -13.934 48.588 -12.004 1.00 0.00 WAT1 ATOM 3567 H1 TIP3 687 -13.399 48.146 -12.689 1.00 0.00 WAT1 ATOM 3568 H2 TIP3 687 -13.941 47.955 -11.257 1.00 0.00 WAT1 ATOM 3569 OH2 TIP3 688 -15.664 50.574 -12.516 1.00 0.00 WAT1 ATOM 3570 H1 TIP3 688 -15.134 49.780 -12.259 1.00 0.00 WAT1 ATOM 3571 H2 TIP3 688 -15.412 51.242 -11.873 1.00 0.00 WAT1 ATOM 3572 OH2 TIP3 689 -11.357 45.879 -3.301 1.00 0.00 WAT1 ATOM 3573 H1 TIP3 689 -11.203 46.686 -3.828 1.00 0.00 WAT1 ATOM 3574 H2 TIP3 689 -10.458 45.548 -3.109 1.00 0.00 WAT1 ATOM 3575 OH2 TIP3 690 -14.021 45.158 -3.189 1.00 0.00 WAT1 ATOM 3576 H1 TIP3 690 -13.065 45.396 -3.147 1.00 0.00 WAT1 ATOM 3577 H2 TIP3 690 -14.245 45.234 -4.142 1.00 0.00 WAT1 ATOM 3578 OH2 TIP3 691 -19.770 50.194 -6.670 1.00 0.00 WAT1 ATOM 3579 H1 TIP3 691 -19.337 49.448 -6.241 1.00 0.00 WAT1 ATOM 3580 H2 TIP3 691 -19.223 50.969 -6.416 1.00 0.00 WAT1 ATOM 3581 OH2 TIP3 692 -20.354 46.607 -0.982 1.00 0.00 WAT1 ATOM 3582 H1 TIP3 692 -19.983 46.458 -0.081 1.00 0.00 WAT1 ATOM 3583 H2 TIP3 692 -19.581 46.500 -1.577 1.00 0.00 WAT1 ATOM 3584 OH2 TIP3 693 -24.693 51.559 -4.911 1.00 0.00 WAT1 ATOM 3585 H1 TIP3 693 -25.129 52.363 -5.202 1.00 0.00 WAT1 ATOM 3586 H2 TIP3 693 -24.173 51.268 -5.698 1.00 0.00 WAT1 ATOM 3587 OH2 TIP3 694 -14.232 42.509 1.349 1.00 0.00 WAT1 ATOM 3588 H1 TIP3 694 -14.386 43.103 0.585 1.00 0.00 WAT1 ATOM 3589 H2 TIP3 694 -14.819 41.742 1.180 1.00 0.00 WAT1 ATOM 3590 OH2 TIP3 695 -23.668 50.044 -2.828 1.00 0.00 WAT1 ATOM 3591 H1 TIP3 695 -24.086 50.552 -2.130 1.00 0.00 WAT1 ATOM 3592 H2 TIP3 695 -23.969 50.484 -3.655 1.00 0.00 WAT1 ATOM 3593 OH2 TIP3 696 -16.516 43.992 -3.048 1.00 0.00 WAT1 ATOM 3594 H1 TIP3 696 -15.661 44.478 -3.043 1.00 0.00 WAT1 ATOM 3595 H2 TIP3 696 -16.645 43.752 -3.995 1.00 0.00 WAT1 ATOM 3596 OH2 TIP3 697 -22.612 42.848 -6.525 1.00 0.00 WAT1 ATOM 3597 H1 TIP3 697 -22.979 42.051 -6.081 1.00 0.00 WAT1 ATOM 3598 H2 TIP3 697 -22.715 43.550 -5.866 1.00 0.00 WAT1 ATOM 3599 OH2 TIP3 698 -19.205 45.946 1.407 1.00 0.00 WAT1 ATOM 3600 H1 TIP3 698 -18.931 46.346 2.239 1.00 0.00 WAT1 ATOM 3601 H2 TIP3 698 -19.248 44.989 1.604 1.00 0.00 WAT1 ATOM 3602 OH2 TIP3 699 -17.020 41.677 -1.654 1.00 0.00 WAT1 ATOM 3603 H1 TIP3 699 -16.796 40.982 -2.322 1.00 0.00 WAT1 ATOM 3604 H2 TIP3 699 -16.916 42.519 -2.147 1.00 0.00 WAT1 ATOM 3605 OH2 TIP3 700 -16.768 46.758 -10.369 1.00 0.00 WAT1 ATOM 3606 H1 TIP3 700 -16.954 46.114 -9.656 1.00 0.00 WAT1 ATOM 3607 H2 TIP3 700 -15.784 46.817 -10.386 1.00 0.00 WAT1 ATOM 3608 OH2 TIP3 701 -10.886 47.812 -5.246 1.00 0.00 WAT1 ATOM 3609 H1 TIP3 701 -11.705 48.207 -5.565 1.00 0.00 WAT1 ATOM 3610 H2 TIP3 701 -10.709 47.079 -5.877 1.00 0.00 WAT1 ATOM 3611 OH2 TIP3 702 -18.047 52.256 -6.091 1.00 0.00 WAT1 ATOM 3612 H1 TIP3 702 -18.114 53.138 -5.711 1.00 0.00 WAT1 ATOM 3613 H2 TIP3 702 -17.186 52.243 -6.518 1.00 0.00 WAT1 ATOM 3614 OH2 TIP3 703 -14.083 50.355 -14.855 1.00 0.00 WAT1 ATOM 3615 H1 TIP3 703 -14.701 51.002 -15.269 1.00 0.00 WAT1 ATOM 3616 H2 TIP3 703 -14.368 50.328 -13.925 1.00 0.00 WAT1 ATOM 3617 OH2 TIP3 704 -23.573 43.677 -3.954 1.00 0.00 WAT1 ATOM 3618 H1 TIP3 704 -24.228 43.400 -3.276 1.00 0.00 WAT1 ATOM 3619 H2 TIP3 704 -22.723 43.361 -3.601 1.00 0.00 WAT1 ATOM 3620 OH2 TIP3 705 -11.192 43.466 -13.085 1.00 0.00 WAT1 ATOM 3621 H1 TIP3 705 -10.375 43.006 -13.377 1.00 0.00 WAT1 ATOM 3622 H2 TIP3 705 -11.754 42.746 -12.739 1.00 0.00 WAT1 ATOM 3623 OH2 TIP3 706 -16.660 46.949 -4.796 1.00 0.00 WAT1 ATOM 3624 H1 TIP3 706 -17.295 47.136 -5.514 1.00 0.00 WAT1 ATOM 3625 H2 TIP3 706 -16.016 46.326 -5.197 1.00 0.00 WAT1 ATOM 3626 OH2 TIP3 707 -18.170 48.716 -9.043 1.00 0.00 WAT1 ATOM 3627 H1 TIP3 707 -17.587 48.131 -9.565 1.00 0.00 WAT1 ATOM 3628 H2 TIP3 707 -18.631 49.254 -9.717 1.00 0.00 WAT1 ATOM 3629 OH2 TIP3 708 -8.892 49.704 -4.848 1.00 0.00 WAT1 ATOM 3630 H1 TIP3 708 -8.341 49.443 -5.583 1.00 0.00 WAT1 ATOM 3631 H2 TIP3 708 -9.627 49.063 -4.857 1.00 0.00 WAT1 ATOM 3632 OH2 TIP3 709 -13.490 50.233 -17.628 1.00 0.00 WAT1 ATOM 3633 H1 TIP3 709 -12.710 49.761 -17.954 1.00 0.00 WAT1 ATOM 3634 H2 TIP3 709 -13.442 50.141 -16.657 1.00 0.00 WAT1 ATOM 3635 OH2 TIP3 710 -12.693 47.941 -14.492 1.00 0.00 WAT1 ATOM 3636 H1 TIP3 710 -13.119 48.822 -14.557 1.00 0.00 WAT1 ATOM 3637 H2 TIP3 710 -12.499 47.704 -15.419 1.00 0.00 WAT1 ATOM 3638 OH2 TIP3 711 -18.561 47.428 -12.364 1.00 0.00 WAT1 ATOM 3639 H1 TIP3 711 -17.804 47.174 -11.796 1.00 0.00 WAT1 ATOM 3640 H2 TIP3 711 -19.295 46.866 -12.050 1.00 0.00 WAT1 ATOM 3641 OH2 TIP3 712 -16.263 39.991 -3.603 1.00 0.00 WAT1 ATOM 3642 H1 TIP3 712 -16.337 40.052 -4.582 1.00 0.00 WAT1 ATOM 3643 H2 TIP3 712 -15.871 39.109 -3.446 1.00 0.00 WAT1 ATOM 3644 OH2 TIP3 713 -18.281 50.853 -13.393 1.00 0.00 WAT1 ATOM 3645 H1 TIP3 713 -17.321 50.737 -13.202 1.00 0.00 WAT1 ATOM 3646 H2 TIP3 713 -18.308 51.561 -14.067 1.00 0.00 WAT1 ATOM 3647 OH2 TIP3 714 -14.902 44.262 -0.676 1.00 0.00 WAT1 ATOM 3648 H1 TIP3 714 -14.328 44.720 -1.321 1.00 0.00 WAT1 ATOM 3649 H2 TIP3 714 -15.719 44.094 -1.168 1.00 0.00 WAT1 ATOM 3650 OH2 TIP3 715 -19.492 49.757 -11.189 1.00 0.00 WAT1 ATOM 3651 H1 TIP3 715 -19.301 48.892 -11.610 1.00 0.00 WAT1 ATOM 3652 H2 TIP3 715 -19.193 50.410 -11.855 1.00 0.00 WAT1 ATOM 3653 OH2 TIP3 716 -11.135 39.511 -3.688 1.00 0.00 WAT1 ATOM 3654 H1 TIP3 716 -11.539 39.580 -4.578 1.00 0.00 WAT1 ATOM 3655 H2 TIP3 716 -11.867 39.754 -3.081 1.00 0.00 WAT1 ATOM 3656 OH2 TIP3 717 -22.748 50.128 -14.489 1.00 0.00 WAT1 ATOM 3657 H1 TIP3 717 -22.918 50.004 -13.529 1.00 0.00 WAT1 ATOM 3658 H2 TIP3 717 -21.839 49.778 -14.619 1.00 0.00 WAT1 ATOM 3659 OH2 TIP3 718 -16.075 51.997 -15.792 1.00 0.00 WAT1 ATOM 3660 H1 TIP3 718 -16.952 52.380 -15.596 1.00 0.00 WAT1 ATOM 3661 H2 TIP3 718 -16.063 51.916 -16.765 1.00 0.00 WAT1 ATOM 3662 OH2 TIP3 719 -20.130 49.250 -14.762 1.00 0.00 WAT1 ATOM 3663 H1 TIP3 719 -19.936 49.659 -15.633 1.00 0.00 WAT1 ATOM 3664 H2 TIP3 719 -19.467 49.652 -14.158 1.00 0.00 WAT1 ATOM 3665 OH2 TIP3 720 -22.865 45.362 -0.833 1.00 0.00 WAT1 ATOM 3666 H1 TIP3 720 -21.937 45.669 -0.828 1.00 0.00 WAT1 ATOM 3667 H2 TIP3 720 -23.320 46.000 -1.402 1.00 0.00 WAT1 ATOM 3668 OH2 TIP3 721 -18.326 46.068 -2.829 1.00 0.00 WAT1 ATOM 3669 H1 TIP3 721 -17.735 46.600 -3.413 1.00 0.00 WAT1 ATOM 3670 H2 TIP3 721 -17.835 45.231 -2.702 1.00 0.00 WAT1 ATOM 3671 OH2 TIP3 722 -12.190 47.400 -17.180 1.00 0.00 WAT1 ATOM 3672 H1 TIP3 722 -11.247 47.196 -16.990 1.00 0.00 WAT1 ATOM 3673 H2 TIP3 722 -12.177 47.743 -18.105 1.00 0.00 WAT1 ATOM 3674 OH2 TIP3 723 -19.455 41.987 -0.501 1.00 0.00 WAT1 ATOM 3675 H1 TIP3 723 -18.591 41.874 -0.956 1.00 0.00 WAT1 ATOM 3676 H2 TIP3 723 -20.059 42.298 -1.210 1.00 0.00 WAT1 ATOM 3677 OH2 TIP3 724 -18.730 42.249 -4.759 1.00 0.00 WAT1 ATOM 3678 H1 TIP3 724 -18.392 41.351 -4.893 1.00 0.00 WAT1 ATOM 3679 H2 TIP3 724 -18.053 42.822 -5.173 1.00 0.00 WAT1 ATOM 3680 OH2 TIP3 725 -20.681 42.900 -2.870 1.00 0.00 WAT1 ATOM 3681 H1 TIP3 725 -20.770 43.851 -3.084 1.00 0.00 WAT1 ATOM 3682 H2 TIP3 725 -20.060 42.560 -3.553 1.00 0.00 WAT1 ATOM 3683 OH2 TIP3 726 -13.484 40.155 -2.422 1.00 0.00 WAT1 ATOM 3684 H1 TIP3 726 -13.803 39.231 -2.432 1.00 0.00 WAT1 ATOM 3685 H2 TIP3 726 -14.248 40.668 -2.726 1.00 0.00 WAT1 ATOM 3686 OH2 TIP3 727 -19.122 43.217 1.957 1.00 0.00 WAT1 ATOM 3687 H1 TIP3 727 -18.156 43.214 2.147 1.00 0.00 WAT1 ATOM 3688 H2 TIP3 727 -19.197 42.754 1.093 1.00 0.00 WAT1 ATOM 3689 OH2 TIP3 728 -16.336 40.777 0.908 1.00 0.00 WAT1 ATOM 3690 H1 TIP3 728 -16.576 41.051 0.001 1.00 0.00 WAT1 ATOM 3691 H2 TIP3 728 -17.163 40.418 1.275 1.00 0.00 WAT1 ATOM 3692 OH2 TIP3 729 -16.418 43.823 2.464 1.00 0.00 WAT1 ATOM 3693 H1 TIP3 729 -15.643 43.223 2.422 1.00 0.00 WAT1 ATOM 3694 H2 TIP3 729 -16.218 44.508 1.812 1.00 0.00 WAT1 ATOM 3695 OH2 TIP3 730 -16.742 37.637 5.778 1.00 0.00 WAT1 ATOM 3696 H1 TIP3 730 -16.619 36.818 5.228 1.00 0.00 WAT1 ATOM 3697 H2 TIP3 730 -17.279 38.223 5.197 1.00 0.00 WAT1 ATOM 3698 OH2 TIP3 731 -10.729 45.893 -14.356 1.00 0.00 WAT1 ATOM 3699 H1 TIP3 731 -11.413 46.523 -14.056 1.00 0.00 WAT1 ATOM 3700 H2 TIP3 731 -10.959 45.055 -13.905 1.00 0.00 WAT1 ATOM 3701 OH2 TIP3 732 -12.060 45.194 -11.064 1.00 0.00 WAT1 ATOM 3702 H1 TIP3 732 -11.768 44.667 -11.834 1.00 0.00 WAT1 ATOM 3703 H2 TIP3 732 -11.342 45.074 -10.408 1.00 0.00 WAT1 ATOM 3704 OH2 TIP3 733 -10.576 45.649 -6.904 1.00 0.00 WAT1 ATOM 3705 H1 TIP3 733 -10.083 45.037 -6.313 1.00 0.00 WAT1 ATOM 3706 H2 TIP3 733 -10.412 45.290 -7.806 1.00 0.00 WAT1 ATOM 3707 OH2 TIP3 734 -9.557 46.895 -16.537 1.00 0.00 WAT1 ATOM 3708 H1 TIP3 734 -8.789 47.408 -16.264 1.00 0.00 WAT1 ATOM 3709 H2 TIP3 734 -9.893 46.495 -15.694 1.00 0.00 WAT1 ATOM 3710 OH2 TIP3 735 -23.316 47.856 -6.811 1.00 0.00 WAT1 ATOM 3711 H1 TIP3 735 -22.496 47.329 -6.715 1.00 0.00 WAT1 ATOM 3712 H2 TIP3 735 -23.897 47.516 -6.103 1.00 0.00 WAT1 ATOM 3713 OH2 TIP3 736 -11.335 42.301 -1.823 1.00 0.00 WAT1 ATOM 3714 H1 TIP3 736 -12.178 41.818 -1.876 1.00 0.00 WAT1 ATOM 3715 H2 TIP3 736 -11.392 42.790 -0.994 1.00 0.00 WAT1 ATOM 3716 OH2 TIP3 737 -9.313 35.678 1.855 1.00 0.00 WAT1 ATOM 3717 H1 TIP3 737 -8.836 35.752 2.701 1.00 0.00 WAT1 ATOM 3718 H2 TIP3 737 -10.149 35.236 2.096 1.00 0.00 WAT1 ATOM 3719 OH2 TIP3 738 -11.274 33.930 2.544 1.00 0.00 WAT1 ATOM 3720 H1 TIP3 738 -11.593 34.294 3.400 1.00 0.00 WAT1 ATOM 3721 H2 TIP3 738 -10.584 33.278 2.804 1.00 0.00 WAT1 ATOM 3722 OH2 TIP3 739 -21.154 50.202 -9.003 1.00 0.00 WAT1 ATOM 3723 H1 TIP3 739 -20.550 50.165 -9.775 1.00 0.00 WAT1 ATOM 3724 H2 TIP3 739 -20.549 50.202 -8.221 1.00 0.00 WAT1 ATOM 3725 OH2 TIP3 740 -23.540 50.274 -11.880 1.00 0.00 WAT1 ATOM 3726 H1 TIP3 740 -24.440 49.901 -11.975 1.00 0.00 WAT1 ATOM 3727 H2 TIP3 740 -23.217 49.892 -11.042 1.00 0.00 WAT1 ATOM 3728 OH2 TIP3 741 -16.629 40.701 -6.232 1.00 0.00 WAT1 ATOM 3729 H1 TIP3 741 -16.545 41.667 -6.081 1.00 0.00 WAT1 ATOM 3730 H2 TIP3 741 -16.184 40.559 -7.087 1.00 0.00 WAT1 ATOM 3731 OH2 TIP3 742 -23.022 52.644 -13.356 1.00 0.00 WAT1 ATOM 3732 H1 TIP3 742 -23.049 52.221 -12.477 1.00 0.00 WAT1 ATOM 3733 H2 TIP3 742 -22.965 51.888 -13.978 1.00 0.00 WAT1 ATOM 3734 OH2 TIP3 743 -13.430 41.699 13.856 1.00 0.00 WAT1 ATOM 3735 H1 TIP3 743 -13.451 42.538 13.380 1.00 0.00 WAT1 ATOM 3736 H2 TIP3 743 -14.162 41.174 13.450 1.00 0.00 WAT1 ATOM 3737 OH2 TIP3 744 -22.274 40.205 10.781 1.00 0.00 WAT1 ATOM 3738 H1 TIP3 744 -22.167 41.115 10.419 1.00 0.00 WAT1 ATOM 3739 H2 TIP3 744 -21.776 39.639 10.150 1.00 0.00 WAT1 ATOM 3740 OH2 TIP3 745 -28.189 42.557 15.032 1.00 0.00 WAT1 ATOM 3741 H1 TIP3 745 -28.076 41.757 14.455 1.00 0.00 WAT1 ATOM 3742 H2 TIP3 745 -28.717 43.159 14.494 1.00 0.00 WAT1 ATOM 3743 OH2 TIP3 746 -23.307 40.351 13.304 1.00 0.00 WAT1 ATOM 3744 H1 TIP3 746 -22.633 40.461 14.019 1.00 0.00 WAT1 ATOM 3745 H2 TIP3 746 -22.781 40.385 12.472 1.00 0.00 WAT1 ATOM 3746 OH2 TIP3 747 -12.486 36.319 16.235 1.00 0.00 WAT1 ATOM 3747 H1 TIP3 747 -13.151 36.990 15.967 1.00 0.00 WAT1 ATOM 3748 H2 TIP3 747 -11.626 36.752 16.066 1.00 0.00 WAT1 ATOM 3749 OH2 TIP3 748 -11.711 35.188 5.007 1.00 0.00 WAT1 ATOM 3750 H1 TIP3 748 -12.356 34.685 5.556 1.00 0.00 WAT1 ATOM 3751 H2 TIP3 748 -11.969 36.132 5.144 1.00 0.00 WAT1 ATOM 3752 OH2 TIP3 749 -12.439 39.411 15.037 1.00 0.00 WAT1 ATOM 3753 H1 TIP3 749 -13.310 38.980 15.206 1.00 0.00 WAT1 ATOM 3754 H2 TIP3 749 -12.665 40.202 14.503 1.00 0.00 WAT1 ATOM 3755 OH2 TIP3 750 -16.802 43.469 7.367 1.00 0.00 WAT1 ATOM 3756 H1 TIP3 750 -16.901 42.595 7.795 1.00 0.00 WAT1 ATOM 3757 H2 TIP3 750 -16.930 44.095 8.082 1.00 0.00 WAT1 ATOM 3758 OH2 TIP3 751 -21.491 40.455 15.270 1.00 0.00 WAT1 ATOM 3759 H1 TIP3 751 -21.645 39.891 16.055 1.00 0.00 WAT1 ATOM 3760 H2 TIP3 751 -20.914 41.179 15.609 1.00 0.00 WAT1 ATOM 3761 OH2 TIP3 752 -21.684 42.561 9.549 1.00 0.00 WAT1 ATOM 3762 H1 TIP3 752 -21.118 42.137 8.866 1.00 0.00 WAT1 ATOM 3763 H2 TIP3 752 -21.175 43.323 9.836 1.00 0.00 WAT1 ATOM 3764 OH2 TIP3 753 -16.134 40.641 17.744 1.00 0.00 WAT1 ATOM 3765 H1 TIP3 753 -15.954 40.757 18.695 1.00 0.00 WAT1 ATOM 3766 H2 TIP3 753 -15.368 41.058 17.305 1.00 0.00 WAT1 ATOM 3767 OH2 TIP3 754 -21.084 43.717 18.466 1.00 0.00 WAT1 ATOM 3768 H1 TIP3 754 -22.005 43.692 18.146 1.00 0.00 WAT1 ATOM 3769 H2 TIP3 754 -21.048 44.526 19.011 1.00 0.00 WAT1 ATOM 3770 OH2 TIP3 755 -18.143 38.297 3.535 1.00 0.00 WAT1 ATOM 3771 H1 TIP3 755 -17.860 37.397 3.300 1.00 0.00 WAT1 ATOM 3772 H2 TIP3 755 -18.362 38.713 2.682 1.00 0.00 WAT1 ATOM 3773 OH2 TIP3 756 -27.555 37.708 12.920 1.00 0.00 WAT1 ATOM 3774 H1 TIP3 756 -26.614 37.951 13.034 1.00 0.00 WAT1 ATOM 3775 H2 TIP3 756 -27.805 37.317 13.779 1.00 0.00 WAT1 ATOM 3776 OH2 TIP3 757 -23.536 40.552 6.274 1.00 0.00 WAT1 ATOM 3777 H1 TIP3 757 -24.247 40.970 5.750 1.00 0.00 WAT1 ATOM 3778 H2 TIP3 757 -22.721 41.042 6.008 1.00 0.00 WAT1 ATOM 3779 OH2 TIP3 758 -17.579 39.710 11.244 1.00 0.00 WAT1 ATOM 3780 H1 TIP3 758 -18.226 40.025 11.923 1.00 0.00 WAT1 ATOM 3781 H2 TIP3 758 -17.976 38.877 10.904 1.00 0.00 WAT1 ATOM 3782 OH2 TIP3 759 -25.623 40.919 12.015 1.00 0.00 WAT1 ATOM 3783 H1 TIP3 759 -24.806 40.903 12.562 1.00 0.00 WAT1 ATOM 3784 H2 TIP3 759 -25.528 41.733 11.464 1.00 0.00 WAT1 ATOM 3785 OH2 TIP3 760 -15.115 37.474 13.016 1.00 0.00 WAT1 ATOM 3786 H1 TIP3 760 -15.942 37.061 12.677 1.00 0.00 WAT1 ATOM 3787 H2 TIP3 760 -15.254 38.434 12.884 1.00 0.00 WAT1 ATOM 3788 OH2 TIP3 761 -20.061 43.957 4.427 1.00 0.00 WAT1 ATOM 3789 H1 TIP3 761 -19.224 44.320 4.794 1.00 0.00 WAT1 ATOM 3790 H2 TIP3 761 -19.831 43.724 3.509 1.00 0.00 WAT1 ATOM 3791 OH2 TIP3 762 -15.535 40.215 12.987 1.00 0.00 WAT1 ATOM 3792 H1 TIP3 762 -16.171 40.145 12.241 1.00 0.00 WAT1 ATOM 3793 H2 TIP3 762 -16.109 40.381 13.773 1.00 0.00 WAT1 ATOM 3794 OH2 TIP3 763 -21.360 38.762 8.656 1.00 0.00 WAT1 ATOM 3795 H1 TIP3 763 -21.189 37.837 8.907 1.00 0.00 WAT1 ATOM 3796 H2 TIP3 763 -21.880 38.691 7.834 1.00 0.00 WAT1 ATOM 3797 OH2 TIP3 764 -19.144 40.503 13.318 1.00 0.00 WAT1 ATOM 3798 H1 TIP3 764 -19.973 40.480 13.816 1.00 0.00 WAT1 ATOM 3799 H2 TIP3 764 -18.457 40.640 14.006 1.00 0.00 WAT1 ATOM 3800 OH2 TIP3 765 -17.297 41.153 8.878 1.00 0.00 WAT1 ATOM 3801 H1 TIP3 765 -16.693 40.580 8.342 1.00 0.00 WAT1 ATOM 3802 H2 TIP3 765 -17.325 40.714 9.756 1.00 0.00 WAT1 ATOM 3803 OH2 TIP3 766 -21.246 41.786 5.525 1.00 0.00 WAT1 ATOM 3804 H1 TIP3 766 -20.683 41.551 6.295 1.00 0.00 WAT1 ATOM 3805 H2 TIP3 766 -20.872 42.641 5.207 1.00 0.00 WAT1 ATOM 3806 OH2 TIP3 767 -19.858 42.059 16.661 1.00 0.00 WAT1 ATOM 3807 H1 TIP3 767 -20.190 42.787 17.225 1.00 0.00 WAT1 ATOM 3808 H2 TIP3 767 -19.377 41.476 17.283 1.00 0.00 WAT1 ATOM 3809 OH2 TIP3 768 -16.930 36.991 16.924 1.00 0.00 WAT1 ATOM 3810 H1 TIP3 768 -17.697 36.781 17.489 1.00 0.00 WAT1 ATOM 3811 H2 TIP3 768 -17.032 36.388 16.151 1.00 0.00 WAT1 ATOM 3812 OH2 TIP3 769 -13.363 38.204 8.254 1.00 0.00 WAT1 ATOM 3813 H1 TIP3 769 -13.106 38.240 9.181 1.00 0.00 WAT1 ATOM 3814 H2 TIP3 769 -13.951 37.412 8.195 1.00 0.00 WAT1 ATOM 3815 OH2 TIP3 770 -17.474 44.680 4.925 1.00 0.00 WAT1 ATOM 3816 H1 TIP3 770 -16.967 44.333 4.167 1.00 0.00 WAT1 ATOM 3817 H2 TIP3 770 -17.089 44.224 5.703 1.00 0.00 WAT1 ATOM 3818 OH2 TIP3 771 -17.105 40.826 15.113 1.00 0.00 WAT1 ATOM 3819 H1 TIP3 771 -16.993 40.506 16.032 1.00 0.00 WAT1 ATOM 3820 H2 TIP3 771 -16.984 41.799 15.186 1.00 0.00 WAT1 ATOM 3821 OH2 TIP3 772 -15.683 39.496 7.522 1.00 0.00 WAT1 ATOM 3822 H1 TIP3 772 -16.035 38.863 6.862 1.00 0.00 WAT1 ATOM 3823 H2 TIP3 772 -14.784 39.171 7.709 1.00 0.00 WAT1 ATOM 3824 OH2 TIP3 773 -21.208 41.173 2.748 1.00 0.00 WAT1 ATOM 3825 H1 TIP3 773 -21.330 41.152 3.718 1.00 0.00 WAT1 ATOM 3826 H2 TIP3 773 -20.747 42.010 2.585 1.00 0.00 WAT1 ATOM 3827 OH2 TIP3 774 -12.043 40.312 17.647 1.00 0.00 WAT1 ATOM 3828 H1 TIP3 774 -11.987 39.885 16.768 1.00 0.00 WAT1 ATOM 3829 H2 TIP3 774 -11.131 40.242 18.008 1.00 0.00 WAT1 ATOM 3830 OH2 TIP3 775 -26.311 38.951 5.732 1.00 0.00 WAT1 ATOM 3831 H1 TIP3 775 -26.289 39.928 5.669 1.00 0.00 WAT1 ATOM 3832 H2 TIP3 775 -26.414 38.775 6.691 1.00 0.00 WAT1 ATOM 3833 OH2 TIP3 776 -16.197 43.351 15.571 1.00 0.00 WAT1 ATOM 3834 H1 TIP3 776 -16.533 44.047 16.143 1.00 0.00 WAT1 ATOM 3835 H2 TIP3 776 -15.397 43.026 16.029 1.00 0.00 WAT1 ATOM 3836 OH2 TIP3 777 -21.616 39.369 17.829 1.00 0.00 WAT1 ATOM 3837 H1 TIP3 777 -20.726 39.773 17.942 1.00 0.00 WAT1 ATOM 3838 H2 TIP3 777 -21.624 38.639 18.479 1.00 0.00 WAT1 ATOM 3839 OH2 TIP3 778 -13.970 41.954 16.569 1.00 0.00 WAT1 ATOM 3840 H1 TIP3 778 -13.255 41.487 17.054 1.00 0.00 WAT1 ATOM 3841 H2 TIP3 778 -13.691 41.907 15.631 1.00 0.00 WAT1 ATOM 3842 OH2 TIP3 779 -23.898 43.772 18.378 1.00 0.00 WAT1 ATOM 3843 H1 TIP3 779 -24.675 43.805 17.781 1.00 0.00 WAT1 ATOM 3844 H2 TIP3 779 -23.840 42.831 18.642 1.00 0.00 WAT1 ATOM 3845 OH2 TIP3 780 -19.157 40.286 18.625 1.00 0.00 WAT1 ATOM 3846 H1 TIP3 780 -19.377 40.571 19.524 1.00 0.00 WAT1 ATOM 3847 H2 TIP3 780 -18.353 39.741 18.735 1.00 0.00 WAT1 ATOM 3848 OH2 TIP3 781 -14.620 37.889 15.667 1.00 0.00 WAT1 ATOM 3849 H1 TIP3 781 -14.911 37.647 14.758 1.00 0.00 WAT1 ATOM 3850 H2 TIP3 781 -15.410 37.707 16.228 1.00 0.00 WAT1 ATOM 3851 OH2 TIP3 782 -17.274 38.305 19.434 1.00 0.00 WAT1 ATOM 3852 H1 TIP3 782 -17.893 37.534 19.359 1.00 0.00 WAT1 ATOM 3853 H2 TIP3 782 -16.714 38.235 18.638 1.00 0.00 WAT1 ATOM 3854 OH2 TIP3 783 -21.156 37.586 19.890 1.00 0.00 WAT1 ATOM 3855 H1 TIP3 783 -21.932 36.983 19.837 1.00 0.00 WAT1 ATOM 3856 H2 TIP3 783 -20.414 37.062 19.492 1.00 0.00 WAT1 ATOM 3857 OH2 TIP3 784 -19.572 35.739 21.932 1.00 0.00 WAT1 ATOM 3858 H1 TIP3 784 -19.301 35.303 21.080 1.00 0.00 WAT1 ATOM 3859 H2 TIP3 784 -19.929 36.594 21.656 1.00 0.00 WAT1 ATOM 3860 OH2 TIP3 785 -12.549 37.723 5.650 1.00 0.00 WAT1 ATOM 3861 H1 TIP3 785 -12.769 37.980 6.570 1.00 0.00 WAT1 ATOM 3862 H2 TIP3 785 -12.922 38.429 5.111 1.00 0.00 WAT1 ATOM 3863 OH2 TIP3 786 -25.856 43.404 16.408 1.00 0.00 WAT1 ATOM 3864 H1 TIP3 786 -25.210 43.339 15.696 1.00 0.00 WAT1 ATOM 3865 H2 TIP3 786 -26.703 43.172 15.982 1.00 0.00 WAT1 ATOM 3866 OH2 TIP3 787 -10.060 40.123 21.289 1.00 0.00 WAT1 ATOM 3867 H1 TIP3 787 -9.613 40.947 21.487 1.00 0.00 WAT1 ATOM 3868 H2 TIP3 787 -9.980 40.033 20.319 1.00 0.00 WAT1 ATOM 3869 OH2 TIP3 788 -27.906 40.471 13.368 1.00 0.00 WAT1 ATOM 3870 H1 TIP3 788 -28.093 39.543 13.144 1.00 0.00 WAT1 ATOM 3871 H2 TIP3 788 -27.105 40.687 12.837 1.00 0.00 WAT1 ATOM 3872 OH2 TIP3 789 -28.532 41.557 17.532 1.00 0.00 WAT1 ATOM 3873 H1 TIP3 789 -28.495 41.844 16.589 1.00 0.00 WAT1 ATOM 3874 H2 TIP3 789 -28.707 42.371 18.019 1.00 0.00 WAT1 ATOM 3875 OH2 TIP3 790 -9.450 40.016 18.563 1.00 0.00 WAT1 ATOM 3876 H1 TIP3 790 -8.655 40.496 18.307 1.00 0.00 WAT1 ATOM 3877 H2 TIP3 790 -9.256 39.077 18.310 1.00 0.00 WAT1 ATOM 3878 OH2 TIP3 791 -22.860 37.914 6.297 1.00 0.00 WAT1 ATOM 3879 H1 TIP3 791 -23.321 37.558 5.520 1.00 0.00 WAT1 ATOM 3880 H2 TIP3 791 -23.121 38.864 6.311 1.00 0.00 WAT1 ATOM 3881 OH2 TIP3 792 -26.029 40.361 17.803 1.00 0.00 WAT1 ATOM 3882 H1 TIP3 792 -26.774 40.988 17.707 1.00 0.00 WAT1 ATOM 3883 H2 TIP3 792 -26.305 39.585 17.287 1.00 0.00 WAT1 ATOM 3884 OH2 TIP3 793 -8.943 37.583 17.508 1.00 0.00 WAT1 ATOM 3885 H1 TIP3 793 -9.347 37.663 16.618 1.00 0.00 WAT1 ATOM 3886 H2 TIP3 793 -8.801 36.619 17.617 1.00 0.00 WAT1 ATOM 3887 OH2 TIP3 794 -18.795 37.423 10.356 1.00 0.00 WAT1 ATOM 3888 H1 TIP3 794 -18.720 37.165 9.410 1.00 0.00 WAT1 ATOM 3889 H2 TIP3 794 -19.713 37.178 10.600 1.00 0.00 WAT1 ATOM 3890 OH2 TIP3 795 -21.377 36.057 7.761 1.00 0.00 WAT1 ATOM 3891 H1 TIP3 795 -20.455 36.280 7.536 1.00 0.00 WAT1 ATOM 3892 H2 TIP3 795 -21.913 36.620 7.167 1.00 0.00 WAT1 ATOM 3893 OH2 TIP3 796 -17.241 36.038 12.113 1.00 0.00 WAT1 ATOM 3894 H1 TIP3 796 -17.296 35.135 11.729 1.00 0.00 WAT1 ATOM 3895 H2 TIP3 796 -17.800 36.584 11.516 1.00 0.00 WAT1 ATOM 3896 OH2 TIP3 797 -13.717 33.997 6.466 1.00 0.00 WAT1 ATOM 3897 H1 TIP3 797 -13.955 33.337 7.149 1.00 0.00 WAT1 ATOM 3898 H2 TIP3 797 -14.440 33.912 5.791 1.00 0.00 WAT1 ATOM 3899 OH2 TIP3 798 -19.093 39.958 1.356 1.00 0.00 WAT1 ATOM 3900 H1 TIP3 798 -19.830 40.156 1.970 1.00 0.00 WAT1 ATOM 3901 H2 TIP3 798 -19.275 40.527 0.581 1.00 0.00 WAT1 ATOM 3902 OH2 TIP3 799 -19.958 41.120 7.951 1.00 0.00 WAT1 ATOM 3903 H1 TIP3 799 -20.260 40.231 8.229 1.00 0.00 WAT1 ATOM 3904 H2 TIP3 799 -19.006 41.138 8.194 1.00 0.00 WAT1 ATOM 3905 OH2 TIP3 800 -23.572 41.063 18.733 1.00 0.00 WAT1 ATOM 3906 H1 TIP3 800 -24.423 40.876 18.279 1.00 0.00 WAT1 ATOM 3907 H2 TIP3 800 -22.922 40.484 18.272 1.00 0.00 WAT1 ATOM 3908 OH2 TIP3 801 -13.785 37.496 21.703 1.00 0.00 WAT1 ATOM 3909 H1 TIP3 801 -12.940 37.009 21.853 1.00 0.00 WAT1 ATOM 3910 H2 TIP3 801 -13.568 38.135 20.993 1.00 0.00 WAT1 ATOM 3911 OH2 TIP3 802 -20.120 39.548 21.511 1.00 0.00 WAT1 ATOM 3912 H1 TIP3 802 -20.471 38.866 20.893 1.00 0.00 WAT1 ATOM 3913 H2 TIP3 802 -20.586 40.374 21.243 1.00 0.00 WAT1 ATOM 3914 OH2 TIP3 803 -21.308 41.595 20.255 1.00 0.00 WAT1 ATOM 3915 H1 TIP3 803 -21.042 42.400 19.765 1.00 0.00 WAT1 ATOM 3916 H2 TIP3 803 -22.189 41.380 19.892 1.00 0.00 WAT1 ATOM 3917 OH2 TIP3 804 -17.347 39.753 21.676 1.00 0.00 WAT1 ATOM 3918 H1 TIP3 804 -18.307 39.775 21.870 1.00 0.00 WAT1 ATOM 3919 H2 TIP3 804 -17.275 39.148 20.898 1.00 0.00 WAT1 ATOM 3920 OH2 TIP3 805 -15.304 40.997 20.394 1.00 0.00 WAT1 ATOM 3921 H1 TIP3 805 -14.947 41.685 20.965 1.00 0.00 WAT1 ATOM 3922 H2 TIP3 805 -16.036 40.603 20.922 1.00 0.00 WAT1 ATOM 3923 OH2 TIP3 806 -16.119 37.694 23.103 1.00 0.00 WAT1 ATOM 3924 H1 TIP3 806 -15.192 37.702 22.783 1.00 0.00 WAT1 ATOM 3925 H2 TIP3 806 -16.501 38.518 22.747 1.00 0.00 WAT1 ATOM 3926 OH2 TIP3 807 -21.302 35.697 24.991 1.00 0.00 WAT1 ATOM 3927 H1 TIP3 807 -20.871 36.010 25.788 1.00 0.00 WAT1 ATOM 3928 H2 TIP3 807 -21.276 36.469 24.385 1.00 0.00 WAT1 ATOM 3929 OH2 TIP3 808 -13.659 38.941 19.432 1.00 0.00 WAT1 ATOM 3930 H1 TIP3 808 -14.255 39.658 19.737 1.00 0.00 WAT1 ATOM 3931 H2 TIP3 808 -13.054 39.387 18.801 1.00 0.00 WAT1 ATOM 3932 OH2 TIP3 809 -24.086 33.969 21.017 1.00 0.00 WAT1 ATOM 3933 H1 TIP3 809 -23.330 33.398 21.282 1.00 0.00 WAT1 ATOM 3934 H2 TIP3 809 -23.666 34.797 20.705 1.00 0.00 WAT1 ATOM 3935 OH2 TIP3 810 -10.046 37.933 22.982 1.00 0.00 WAT1 ATOM 3936 H1 TIP3 810 -10.572 37.245 22.528 1.00 0.00 WAT1 ATOM 3937 H2 TIP3 810 -10.091 38.706 22.379 1.00 0.00 WAT1 ATOM 3938 OH2 TIP3 811 -20.573 33.625 23.342 1.00 0.00 WAT1 ATOM 3939 H1 TIP3 811 -20.258 34.343 22.748 1.00 0.00 WAT1 ATOM 3940 H2 TIP3 811 -20.962 34.107 24.105 1.00 0.00 WAT1 ATOM 3941 OH2 TIP3 812 -21.252 38.154 23.655 1.00 0.00 WAT1 ATOM 3942 H1 TIP3 812 -21.865 38.811 23.994 1.00 0.00 WAT1 ATOM 3943 H2 TIP3 812 -20.733 38.636 22.980 1.00 0.00 WAT1 ATOM 3944 OH2 TIP3 813 10.279 -4.665 -2.518 1.00 0.00 WAT1 ATOM 3945 H1 TIP3 813 9.454 -5.161 -2.570 1.00 0.00 WAT1 ATOM 3946 H2 TIP3 813 10.875 -5.248 -1.993 1.00 0.00 WAT1 ATOM 3947 OH2 TIP3 814 -2.528 -7.094 0.390 1.00 0.00 WAT1 ATOM 3948 H1 TIP3 814 -2.014 -7.428 1.135 1.00 0.00 WAT1 ATOM 3949 H2 TIP3 814 -3.085 -7.838 0.131 1.00 0.00 WAT1 ATOM 3950 OH2 TIP3 815 -3.878 -2.927 0.693 1.00 0.00 WAT1 ATOM 3951 H1 TIP3 815 -3.788 -3.230 1.602 1.00 0.00 WAT1 ATOM 3952 H2 TIP3 815 -3.151 -3.380 0.217 1.00 0.00 WAT1 ATOM 3953 OH2 TIP3 816 0.336 -3.109 0.170 1.00 0.00 WAT1 ATOM 3954 H1 TIP3 816 0.983 -3.835 0.037 1.00 0.00 WAT1 ATOM 3955 H2 TIP3 816 -0.528 -3.520 -0.034 1.00 0.00 WAT1 ATOM 3956 OH2 TIP3 817 3.589 -2.919 0.813 1.00 0.00 WAT1 ATOM 3957 H1 TIP3 817 3.199 -3.641 0.277 1.00 0.00 WAT1 ATOM 3958 H2 TIP3 817 3.381 -3.177 1.742 1.00 0.00 WAT1 ATOM 3959 OH2 TIP3 818 16.012 -1.367 4.920 1.00 0.00 WAT1 ATOM 3960 H1 TIP3 818 16.351 -2.122 5.453 1.00 0.00 WAT1 ATOM 3961 H2 TIP3 818 16.661 -1.286 4.186 1.00 0.00 WAT1 ATOM 3962 OH2 TIP3 819 -2.181 3.493 -3.492 1.00 0.00 WAT1 ATOM 3963 H1 TIP3 819 -3.069 3.829 -3.743 1.00 0.00 WAT1 ATOM 3964 H2 TIP3 819 -2.366 2.606 -3.097 1.00 0.00 WAT1 ATOM 3965 OH2 TIP3 820 6.155 -2.127 0.825 1.00 0.00 WAT1 ATOM 3966 H1 TIP3 820 5.229 -2.451 0.754 1.00 0.00 WAT1 ATOM 3967 H2 TIP3 820 6.213 -1.422 0.142 1.00 0.00 WAT1 ATOM 3968 OH2 TIP3 821 -9.095 3.482 3.237 1.00 0.00 WAT1 ATOM 3969 H1 TIP3 821 -8.736 3.410 4.155 1.00 0.00 WAT1 ATOM 3970 H2 TIP3 821 -10.025 3.697 3.363 1.00 0.00 WAT1 ATOM 3971 OH2 TIP3 822 -2.739 0.954 -2.730 1.00 0.00 WAT1 ATOM 3972 H1 TIP3 822 -3.634 0.559 -2.877 1.00 0.00 WAT1 ATOM 3973 H2 TIP3 822 -2.127 0.286 -3.071 1.00 0.00 WAT1 ATOM 3974 OH2 TIP3 823 2.926 -3.774 3.290 1.00 0.00 WAT1 ATOM 3975 H1 TIP3 823 2.198 -3.401 3.827 1.00 0.00 WAT1 ATOM 3976 H2 TIP3 823 3.003 -4.699 3.604 1.00 0.00 WAT1 ATOM 3977 OH2 TIP3 824 9.560 -2.030 -3.032 1.00 0.00 WAT1 ATOM 3978 H1 TIP3 824 9.700 -2.117 -3.979 1.00 0.00 WAT1 ATOM 3979 H2 TIP3 824 9.817 -2.903 -2.671 1.00 0.00 WAT1 ATOM 3980 OH2 TIP3 825 13.706 -0.023 4.099 1.00 0.00 WAT1 ATOM 3981 H1 TIP3 825 13.827 0.939 4.237 1.00 0.00 WAT1 ATOM 3982 H2 TIP3 825 14.612 -0.381 4.129 1.00 0.00 WAT1 ATOM 3983 OH2 TIP3 826 6.262 -0.195 -1.136 1.00 0.00 WAT1 ATOM 3984 H1 TIP3 826 5.392 -0.045 -1.583 1.00 0.00 WAT1 ATOM 3985 H2 TIP3 826 6.854 -0.463 -1.853 1.00 0.00 WAT1 ATOM 3986 OH2 TIP3 827 10.242 -4.181 2.072 1.00 0.00 WAT1 ATOM 3987 H1 TIP3 827 11.123 -4.102 1.643 1.00 0.00 WAT1 ATOM 3988 H2 TIP3 827 9.977 -5.117 1.895 1.00 0.00 WAT1 ATOM 3989 OH2 TIP3 828 10.051 -11.276 -0.480 1.00 0.00 WAT1 ATOM 3990 H1 TIP3 828 10.319 -12.172 -0.690 1.00 0.00 WAT1 ATOM 3991 H2 TIP3 828 10.546 -11.059 0.337 1.00 0.00 WAT1 ATOM 3992 OH2 TIP3 829 -1.952 -4.557 -0.458 1.00 0.00 WAT1 ATOM 3993 H1 TIP3 829 -1.923 -4.685 -1.413 1.00 0.00 WAT1 ATOM 3994 H2 TIP3 829 -2.191 -5.448 -0.104 1.00 0.00 WAT1 ATOM 3995 OH2 TIP3 830 -5.722 -1.456 -0.584 1.00 0.00 WAT1 ATOM 3996 H1 TIP3 830 -6.470 -2.054 -0.484 1.00 0.00 WAT1 ATOM 3997 H2 TIP3 830 -4.976 -1.928 -0.133 1.00 0.00 WAT1 ATOM 3998 OH2 TIP3 831 1.593 2.123 -2.694 1.00 0.00 WAT1 ATOM 3999 H1 TIP3 831 1.385 3.067 -2.862 1.00 0.00 WAT1 ATOM 4000 H2 TIP3 831 1.017 1.641 -3.327 1.00 0.00 WAT1 ATOM 4001 OH2 TIP3 832 2.054 -0.958 -0.247 1.00 0.00 WAT1 ATOM 4002 H1 TIP3 832 2.752 -1.529 0.142 1.00 0.00 WAT1 ATOM 4003 H2 TIP3 832 1.267 -1.540 -0.279 1.00 0.00 WAT1 ATOM 4004 OH2 TIP3 833 3.761 0.259 -2.086 1.00 0.00 WAT1 ATOM 4005 H1 TIP3 833 3.097 -0.229 -1.562 1.00 0.00 WAT1 ATOM 4006 H2 TIP3 833 3.244 0.941 -2.547 1.00 0.00 WAT1 ATOM 4007 OH2 TIP3 834 8.744 -1.866 1.573 1.00 0.00 WAT1 ATOM 4008 H1 TIP3 834 7.856 -2.049 1.200 1.00 0.00 WAT1 ATOM 4009 H2 TIP3 834 9.216 -2.721 1.506 1.00 0.00 WAT1 ATOM 4010 OH2 TIP3 835 8.988 -6.535 10.643 1.00 0.00 WAT1 ATOM 4011 H1 TIP3 835 8.606 -6.965 11.416 1.00 0.00 WAT1 ATOM 4012 H2 TIP3 835 9.910 -6.313 10.924 1.00 0.00 WAT1 ATOM 4013 OH2 TIP3 836 3.979 -1.258 10.444 1.00 0.00 WAT1 ATOM 4014 H1 TIP3 836 3.706 -1.900 11.102 1.00 0.00 WAT1 ATOM 4015 H2 TIP3 836 4.921 -1.088 10.649 1.00 0.00 WAT1 ATOM 4016 OH2 TIP3 837 6.983 -7.119 8.755 1.00 0.00 WAT1 ATOM 4017 H1 TIP3 837 7.584 -6.812 9.459 1.00 0.00 WAT1 ATOM 4018 H2 TIP3 837 6.204 -6.536 8.829 1.00 0.00 WAT1 ATOM 4019 OH2 TIP3 838 4.715 -0.442 6.917 1.00 0.00 WAT1 ATOM 4020 H1 TIP3 838 4.360 -1.300 6.585 1.00 0.00 WAT1 ATOM 4021 H2 TIP3 838 5.347 -0.709 7.621 1.00 0.00 WAT1 ATOM 4022 OH2 TIP3 839 10.472 -6.102 8.287 1.00 0.00 WAT1 ATOM 4023 H1 TIP3 839 9.855 -6.236 9.039 1.00 0.00 WAT1 ATOM 4024 H2 TIP3 839 9.955 -5.552 7.648 1.00 0.00 WAT1 ATOM 4025 OH2 TIP3 840 4.851 -5.374 8.140 1.00 0.00 WAT1 ATOM 4026 H1 TIP3 840 5.178 -5.279 7.218 1.00 0.00 WAT1 ATOM 4027 H2 TIP3 840 4.732 -4.464 8.444 1.00 0.00 WAT1 ATOM 4028 OH2 TIP3 841 2.784 -6.994 7.088 1.00 0.00 WAT1 ATOM 4029 H1 TIP3 841 2.401 -7.587 7.740 1.00 0.00 WAT1 ATOM 4030 H2 TIP3 841 3.439 -6.474 7.593 1.00 0.00 WAT1 ATOM 4031 OH2 TIP3 842 3.926 -2.876 5.973 1.00 0.00 WAT1 ATOM 4032 H1 TIP3 842 2.964 -2.896 5.786 1.00 0.00 WAT1 ATOM 4033 H2 TIP3 842 4.217 -3.797 5.841 1.00 0.00 WAT1 ATOM 4034 OH2 TIP3 843 9.962 -6.828 1.468 1.00 0.00 WAT1 ATOM 4035 H1 TIP3 843 10.262 -7.335 0.693 1.00 0.00 WAT1 ATOM 4036 H2 TIP3 843 10.078 -7.450 2.218 1.00 0.00 WAT1 ATOM 4037 OH2 TIP3 844 7.440 -7.101 6.109 1.00 0.00 WAT1 ATOM 4038 H1 TIP3 844 7.963 -7.914 5.939 1.00 0.00 WAT1 ATOM 4039 H2 TIP3 844 7.185 -7.178 7.059 1.00 0.00 WAT1 ATOM 4040 OH2 TIP3 845 9.612 -11.136 4.277 1.00 0.00 WAT1 ATOM 4041 H1 TIP3 845 10.526 -11.487 4.175 1.00 0.00 WAT1 ATOM 4042 H2 TIP3 845 9.080 -11.695 3.699 1.00 0.00 WAT1 ATOM 4043 OH2 TIP3 846 10.946 -7.463 5.927 1.00 0.00 WAT1 ATOM 4044 H1 TIP3 846 10.253 -8.132 6.099 1.00 0.00 WAT1 ATOM 4045 H2 TIP3 846 10.960 -6.923 6.736 1.00 0.00 WAT1 ATOM 4046 OH2 TIP3 847 8.945 -4.840 6.396 1.00 0.00 WAT1 ATOM 4047 H1 TIP3 847 8.841 -4.250 5.622 1.00 0.00 WAT1 ATOM 4048 H2 TIP3 847 8.371 -5.608 6.192 1.00 0.00 WAT1 ATOM 4049 OH2 TIP3 848 2.251 -5.094 -0.154 1.00 0.00 WAT1 ATOM 4050 H1 TIP3 848 2.519 -5.634 -0.905 1.00 0.00 WAT1 ATOM 4051 H2 TIP3 848 2.420 -5.673 0.631 1.00 0.00 WAT1 ATOM 4052 OH2 TIP3 849 3.279 -6.250 4.488 1.00 0.00 WAT1 ATOM 4053 H1 TIP3 849 2.850 -6.633 5.287 1.00 0.00 WAT1 ATOM 4054 H2 TIP3 849 4.189 -6.043 4.787 1.00 0.00 WAT1 ATOM 4055 OH2 TIP3 850 5.586 -5.206 5.487 1.00 0.00 WAT1 ATOM 4056 H1 TIP3 850 5.892 -4.677 4.712 1.00 0.00 WAT1 ATOM 4057 H2 TIP3 850 6.268 -5.913 5.580 1.00 0.00 WAT1 ATOM 4058 OH2 TIP3 851 0.365 -1.730 2.552 1.00 0.00 WAT1 ATOM 4059 H1 TIP3 851 -0.099 -0.933 2.236 1.00 0.00 WAT1 ATOM 4060 H2 TIP3 851 0.366 -2.328 1.774 1.00 0.00 WAT1 ATOM 4061 OH2 TIP3 852 9.128 -1.369 11.814 1.00 0.00 WAT1 ATOM 4062 H1 TIP3 852 9.287 -1.742 12.685 1.00 0.00 WAT1 ATOM 4063 H2 TIP3 852 10.026 -1.249 11.435 1.00 0.00 WAT1 ATOM 4064 OH2 TIP3 853 6.419 -3.656 3.410 1.00 0.00 WAT1 ATOM 4065 H1 TIP3 853 6.365 -3.373 2.481 1.00 0.00 WAT1 ATOM 4066 H2 TIP3 853 7.340 -3.448 3.670 1.00 0.00 WAT1 ATOM 4067 OH2 TIP3 854 2.982 -6.819 1.823 1.00 0.00 WAT1 ATOM 4068 H1 TIP3 854 3.407 -7.679 1.750 1.00 0.00 WAT1 ATOM 4069 H2 TIP3 854 3.031 -6.609 2.781 1.00 0.00 WAT1 ATOM 4070 OH2 TIP3 855 8.996 -3.067 4.272 1.00 0.00 WAT1 ATOM 4071 H1 TIP3 855 9.481 -3.474 3.514 1.00 0.00 WAT1 ATOM 4072 H2 TIP3 855 9.211 -2.114 4.209 1.00 0.00 WAT1 ATOM 4073 OH2 TIP3 856 1.369 -2.261 5.014 1.00 0.00 WAT1 ATOM 4074 H1 TIP3 856 0.890 -2.116 4.164 1.00 0.00 WAT1 ATOM 4075 H2 TIP3 856 1.100 -1.505 5.566 1.00 0.00 WAT1 ATOM 4076 OH2 TIP3 857 13.479 2.802 14.212 1.00 0.00 WAT1 ATOM 4077 H1 TIP3 857 12.636 3.148 13.851 1.00 0.00 WAT1 ATOM 4078 H2 TIP3 857 13.371 2.866 15.167 1.00 0.00 WAT1 ATOM 4079 OH2 TIP3 858 8.974 -9.366 6.241 1.00 0.00 WAT1 ATOM 4080 H1 TIP3 858 9.122 -10.085 5.584 1.00 0.00 WAT1 ATOM 4081 H2 TIP3 858 8.900 -9.831 7.085 1.00 0.00 WAT1 ATOM 4082 OH2 TIP3 859 11.824 -8.813 8.791 1.00 0.00 WAT1 ATOM 4083 H1 TIP3 859 12.046 -8.776 9.745 1.00 0.00 WAT1 ATOM 4084 H2 TIP3 859 11.356 -7.978 8.625 1.00 0.00 WAT1 ATOM 4085 OH2 TIP3 860 14.167 -9.355 6.935 1.00 0.00 WAT1 ATOM 4086 H1 TIP3 860 13.972 -10.117 6.368 1.00 0.00 WAT1 ATOM 4087 H2 TIP3 860 13.322 -9.163 7.376 1.00 0.00 WAT1 ATOM 4088 OH2 TIP3 861 10.507 -8.607 3.468 1.00 0.00 WAT1 ATOM 4089 H1 TIP3 861 10.810 -8.102 4.257 1.00 0.00 WAT1 ATOM 4090 H2 TIP3 861 10.025 -9.370 3.844 1.00 0.00 WAT1 ATOM 4091 OH2 TIP3 862 -1.054 0.627 2.008 1.00 0.00 WAT1 ATOM 4092 H1 TIP3 862 -1.768 0.434 2.629 1.00 0.00 WAT1 ATOM 4093 H2 TIP3 862 -1.527 0.847 1.165 1.00 0.00 WAT1 ATOM 4094 OH2 TIP3 863 -4.611 19.967 -14.240 1.00 0.00 WAT1 ATOM 4095 H1 TIP3 863 -4.907 20.145 -13.322 1.00 0.00 WAT1 ATOM 4096 H2 TIP3 863 -3.900 19.293 -14.137 1.00 0.00 WAT1 ATOM 4097 OH2 TIP3 864 -2.998 7.545 -7.693 1.00 0.00 WAT1 ATOM 4098 H1 TIP3 864 -2.808 6.944 -8.422 1.00 0.00 WAT1 ATOM 4099 H2 TIP3 864 -3.406 6.967 -7.005 1.00 0.00 WAT1 ATOM 4100 OH2 TIP3 865 -0.842 10.884 -6.280 1.00 0.00 WAT1 ATOM 4101 H1 TIP3 865 -1.021 10.012 -5.883 1.00 0.00 WAT1 ATOM 4102 H2 TIP3 865 -1.469 10.933 -7.035 1.00 0.00 WAT1 ATOM 4103 OH2 TIP3 866 1.358 14.489 -6.917 1.00 0.00 WAT1 ATOM 4104 H1 TIP3 866 0.533 14.950 -7.096 1.00 0.00 WAT1 ATOM 4105 H2 TIP3 866 1.774 15.009 -6.204 1.00 0.00 WAT1 ATOM 4106 OH2 TIP3 867 2.539 5.181 -0.824 1.00 0.00 WAT1 ATOM 4107 H1 TIP3 867 2.217 6.024 -1.211 1.00 0.00 WAT1 ATOM 4108 H2 TIP3 867 2.261 4.511 -1.462 1.00 0.00 WAT1 ATOM 4109 OH2 TIP3 868 8.306 4.074 0.867 1.00 0.00 WAT1 ATOM 4110 H1 TIP3 868 7.636 3.434 0.528 1.00 0.00 WAT1 ATOM 4111 H2 TIP3 868 8.926 4.192 0.111 1.00 0.00 WAT1 ATOM 4112 OH2 TIP3 869 -4.752 4.594 -3.519 1.00 0.00 WAT1 ATOM 4113 H1 TIP3 869 -4.757 4.999 -2.618 1.00 0.00 WAT1 ATOM 4114 H2 TIP3 869 -5.641 4.231 -3.618 1.00 0.00 WAT1 ATOM 4115 OH2 TIP3 870 -2.778 10.976 -2.008 1.00 0.00 WAT1 ATOM 4116 H1 TIP3 870 -3.260 11.841 -1.998 1.00 0.00 WAT1 ATOM 4117 H2 TIP3 870 -2.025 11.134 -2.617 1.00 0.00 WAT1 ATOM 4118 OH2 TIP3 871 -3.647 6.204 -5.436 1.00 0.00 WAT1 ATOM 4119 H1 TIP3 871 -3.101 6.724 -4.829 1.00 0.00 WAT1 ATOM 4120 H2 TIP3 871 -4.141 5.595 -4.849 1.00 0.00 WAT1 ATOM 4121 OH2 TIP3 872 -3.932 13.383 -1.794 1.00 0.00 WAT1 ATOM 4122 H1 TIP3 872 -3.618 14.305 -1.669 1.00 0.00 WAT1 ATOM 4123 H2 TIP3 872 -4.872 13.417 -1.529 1.00 0.00 WAT1 ATOM 4124 OH2 TIP3 873 10.019 4.538 -1.233 1.00 0.00 WAT1 ATOM 4125 H1 TIP3 873 9.692 3.897 -1.912 1.00 0.00 WAT1 ATOM 4126 H2 TIP3 873 10.057 5.378 -1.703 1.00 0.00 WAT1 ATOM 4127 OH2 TIP3 874 11.621 8.717 1.750 1.00 0.00 WAT1 ATOM 4128 H1 TIP3 874 11.124 7.876 1.620 1.00 0.00 WAT1 ATOM 4129 H2 TIP3 874 12.217 8.758 0.995 1.00 0.00 WAT1 ATOM 4130 OH2 TIP3 875 4.974 6.210 0.023 1.00 0.00 WAT1 ATOM 4131 H1 TIP3 875 4.065 5.920 -0.198 1.00 0.00 WAT1 ATOM 4132 H2 TIP3 875 5.533 5.783 -0.666 1.00 0.00 WAT1 ATOM 4133 OH2 TIP3 876 -0.606 11.503 -3.612 1.00 0.00 WAT1 ATOM 4134 H1 TIP3 876 -0.692 11.497 -4.590 1.00 0.00 WAT1 ATOM 4135 H2 TIP3 876 0.049 12.206 -3.436 1.00 0.00 WAT1 ATOM 4136 OH2 TIP3 877 -2.183 8.689 -5.231 1.00 0.00 WAT1 ATOM 4137 H1 TIP3 877 -2.318 8.254 -6.097 1.00 0.00 WAT1 ATOM 4138 H2 TIP3 877 -2.933 9.297 -5.153 1.00 0.00 WAT1 ATOM 4139 OH2 TIP3 878 -11.778 15.359 -7.571 1.00 0.00 WAT1 ATOM 4140 H1 TIP3 878 -11.838 14.398 -7.385 1.00 0.00 WAT1 ATOM 4141 H2 TIP3 878 -11.983 15.778 -6.716 1.00 0.00 WAT1 ATOM 4142 OH2 TIP3 879 -0.348 15.165 -2.385 1.00 0.00 WAT1 ATOM 4143 H1 TIP3 879 0.179 14.434 -2.754 1.00 0.00 WAT1 ATOM 4144 H2 TIP3 879 -0.603 15.690 -3.169 1.00 0.00 WAT1 ATOM 4145 OH2 TIP3 880 -3.242 18.903 -6.559 1.00 0.00 WAT1 ATOM 4146 H1 TIP3 880 -3.903 18.662 -5.882 1.00 0.00 WAT1 ATOM 4147 H2 TIP3 880 -3.776 19.341 -7.264 1.00 0.00 WAT1 ATOM 4148 OH2 TIP3 881 6.511 5.606 2.371 1.00 0.00 WAT1 ATOM 4149 H1 TIP3 881 7.028 5.062 1.743 1.00 0.00 WAT1 ATOM 4150 H2 TIP3 881 5.770 5.951 1.829 1.00 0.00 WAT1 ATOM 4151 OH2 TIP3 882 -6.550 13.740 -0.899 1.00 0.00 WAT1 ATOM 4152 H1 TIP3 882 -7.077 14.388 -1.408 1.00 0.00 WAT1 ATOM 4153 H2 TIP3 882 -7.146 12.984 -0.790 1.00 0.00 WAT1 ATOM 4154 OH2 TIP3 883 -0.323 1.580 -4.590 1.00 0.00 WAT1 ATOM 4155 H1 TIP3 883 -0.248 1.567 -5.549 1.00 0.00 WAT1 ATOM 4156 H2 TIP3 883 -1.029 2.225 -4.413 1.00 0.00 WAT1 ATOM 4157 OH2 TIP3 884 1.756 1.716 -0.001 1.00 0.00 WAT1 ATOM 4158 H1 TIP3 884 1.827 0.736 0.045 1.00 0.00 WAT1 ATOM 4159 H2 TIP3 884 1.672 1.903 -0.964 1.00 0.00 WAT1 ATOM 4160 OH2 TIP3 885 6.295 2.428 -0.023 1.00 0.00 WAT1 ATOM 4161 H1 TIP3 885 5.418 2.468 0.409 1.00 0.00 WAT1 ATOM 4162 H2 TIP3 885 6.342 1.519 -0.388 1.00 0.00 WAT1 ATOM 4163 OH2 TIP3 886 -2.053 5.843 -2.059 1.00 0.00 WAT1 ATOM 4164 H1 TIP3 886 -2.926 5.960 -1.627 1.00 0.00 WAT1 ATOM 4165 H2 TIP3 886 -2.144 5.008 -2.554 1.00 0.00 WAT1 ATOM 4166 OH2 TIP3 887 -1.031 8.184 -0.449 1.00 0.00 WAT1 ATOM 4167 H1 TIP3 887 -0.807 8.345 -1.388 1.00 0.00 WAT1 ATOM 4168 H2 TIP3 887 -2.003 8.319 -0.413 1.00 0.00 WAT1 ATOM 4169 OH2 TIP3 888 1.665 11.954 -5.911 1.00 0.00 WAT1 ATOM 4170 H1 TIP3 888 0.869 11.480 -6.224 1.00 0.00 WAT1 ATOM 4171 H2 TIP3 888 1.712 12.748 -6.484 1.00 0.00 WAT1 ATOM 4172 OH2 TIP3 889 1.691 7.452 -2.187 1.00 0.00 WAT1 ATOM 4173 H1 TIP3 889 0.861 7.897 -2.477 1.00 0.00 WAT1 ATOM 4174 H2 TIP3 889 2.280 7.532 -2.948 1.00 0.00 WAT1 ATOM 4175 OH2 TIP3 890 0.483 4.602 -3.035 1.00 0.00 WAT1 ATOM 4176 H1 TIP3 890 -0.384 4.252 -3.317 1.00 0.00 WAT1 ATOM 4177 H2 TIP3 890 0.324 5.549 -2.909 1.00 0.00 WAT1 ATOM 4178 OH2 TIP3 891 1.230 11.767 1.204 1.00 0.00 WAT1 ATOM 4179 H1 TIP3 891 1.568 10.858 1.101 1.00 0.00 WAT1 ATOM 4180 H2 TIP3 891 1.461 12.208 0.355 1.00 0.00 WAT1 ATOM 4181 OH2 TIP3 892 -2.862 10.253 -8.014 1.00 0.00 WAT1 ATOM 4182 H1 TIP3 892 -3.327 10.485 -8.823 1.00 0.00 WAT1 ATOM 4183 H2 TIP3 892 -2.947 9.278 -7.958 1.00 0.00 WAT1 ATOM 4184 OH2 TIP3 893 -3.638 8.840 -0.519 1.00 0.00 WAT1 ATOM 4185 H1 TIP3 893 -3.575 9.468 -1.269 1.00 0.00 WAT1 ATOM 4186 H2 TIP3 893 -4.462 9.104 -0.054 1.00 0.00 WAT1 ATOM 4187 OH2 TIP3 894 2.022 13.132 -0.964 1.00 0.00 WAT1 ATOM 4188 H1 TIP3 894 1.928 13.258 -1.930 1.00 0.00 WAT1 ATOM 4189 H2 TIP3 894 2.008 14.035 -0.601 1.00 0.00 WAT1 ATOM 4190 OH2 TIP3 895 9.157 11.576 1.305 1.00 0.00 WAT1 ATOM 4191 H1 TIP3 895 8.316 11.100 1.145 1.00 0.00 WAT1 ATOM 4192 H2 TIP3 895 9.634 11.498 0.473 1.00 0.00 WAT1 ATOM 4193 OH2 TIP3 896 -0.439 16.699 -4.718 1.00 0.00 WAT1 ATOM 4194 H1 TIP3 896 -0.876 16.668 -5.599 1.00 0.00 WAT1 ATOM 4195 H2 TIP3 896 -0.807 17.508 -4.295 1.00 0.00 WAT1 ATOM 4196 OH2 TIP3 897 1.452 13.416 -3.656 1.00 0.00 WAT1 ATOM 4197 H1 TIP3 897 1.788 14.283 -3.979 1.00 0.00 WAT1 ATOM 4198 H2 TIP3 897 1.669 12.788 -4.391 1.00 0.00 WAT1 ATOM 4199 OH2 TIP3 898 -5.134 3.701 0.923 1.00 0.00 WAT1 ATOM 4200 H1 TIP3 898 -5.948 4.038 1.355 1.00 0.00 WAT1 ATOM 4201 H2 TIP3 898 -5.298 2.739 0.816 1.00 0.00 WAT1 ATOM 4202 OH2 TIP3 899 3.836 2.949 1.245 1.00 0.00 WAT1 ATOM 4203 H1 TIP3 899 3.731 3.890 1.031 1.00 0.00 WAT1 ATOM 4204 H2 TIP3 899 3.091 2.512 0.771 1.00 0.00 WAT1 ATOM 4205 OH2 TIP3 900 2.524 9.643 -0.301 1.00 0.00 WAT1 ATOM 4206 H1 TIP3 900 2.153 8.922 -0.840 1.00 0.00 WAT1 ATOM 4207 H2 TIP3 900 2.660 10.366 -0.930 1.00 0.00 WAT1 ATOM 4208 OH2 TIP3 901 9.958 0.468 2.094 1.00 0.00 WAT1 ATOM 4209 H1 TIP3 901 9.434 -0.328 1.833 1.00 0.00 WAT1 ATOM 4210 H2 TIP3 901 10.684 0.496 1.439 1.00 0.00 WAT1 ATOM 4211 OH2 TIP3 902 -5.142 19.866 -8.255 1.00 0.00 WAT1 ATOM 4212 H1 TIP3 902 -5.547 20.719 -8.466 1.00 0.00 WAT1 ATOM 4213 H2 TIP3 902 -5.660 19.222 -8.784 1.00 0.00 WAT1 ATOM 4214 OH2 TIP3 903 2.558 13.011 3.243 1.00 0.00 WAT1 ATOM 4215 H1 TIP3 903 3.414 12.591 3.487 1.00 0.00 WAT1 ATOM 4216 H2 TIP3 903 2.171 12.397 2.571 1.00 0.00 WAT1 ATOM 4217 OH2 TIP3 904 -7.839 11.640 2.440 1.00 0.00 WAT1 ATOM 4218 H1 TIP3 904 -8.106 11.333 1.545 1.00 0.00 WAT1 ATOM 4219 H2 TIP3 904 -8.689 11.924 2.859 1.00 0.00 WAT1 ATOM 4220 OH2 TIP3 905 7.182 9.669 0.803 1.00 0.00 WAT1 ATOM 4221 H1 TIP3 905 7.247 9.283 -0.080 1.00 0.00 WAT1 ATOM 4222 H2 TIP3 905 6.244 9.499 1.067 1.00 0.00 WAT1 ATOM 4223 OH2 TIP3 906 -8.269 10.730 -0.097 1.00 0.00 WAT1 ATOM 4224 H1 TIP3 906 -8.915 9.985 -0.140 1.00 0.00 WAT1 ATOM 4225 H2 TIP3 906 -8.617 11.381 -0.749 1.00 0.00 WAT1 ATOM 4226 OH2 TIP3 907 -0.469 8.808 -3.074 1.00 0.00 WAT1 ATOM 4227 H1 TIP3 907 -1.105 8.554 -3.777 1.00 0.00 WAT1 ATOM 4228 H2 TIP3 907 -0.413 9.787 -3.149 1.00 0.00 WAT1 ATOM 4229 OH2 TIP3 908 4.656 8.749 1.214 1.00 0.00 WAT1 ATOM 4230 H1 TIP3 908 3.867 9.109 0.753 1.00 0.00 WAT1 ATOM 4231 H2 TIP3 908 4.704 7.816 0.913 1.00 0.00 WAT1 ATOM 4232 OH2 TIP3 909 -2.776 1.274 0.028 1.00 0.00 WAT1 ATOM 4233 H1 TIP3 909 -2.784 1.187 -0.947 1.00 0.00 WAT1 ATOM 4234 H2 TIP3 909 -3.724 1.273 0.276 1.00 0.00 WAT1 ATOM 4235 OH2 TIP3 910 7.723 13.467 5.203 1.00 0.00 WAT1 ATOM 4236 H1 TIP3 910 8.408 13.198 4.557 1.00 0.00 WAT1 ATOM 4237 H2 TIP3 910 8.109 14.256 5.643 1.00 0.00 WAT1 ATOM 4238 OH2 TIP3 911 8.912 8.805 2.750 1.00 0.00 WAT1 ATOM 4239 H1 TIP3 911 8.251 9.141 2.109 1.00 0.00 WAT1 ATOM 4240 H2 TIP3 911 9.716 9.314 2.551 1.00 0.00 WAT1 ATOM 4241 OH2 TIP3 912 8.601 5.412 4.165 1.00 0.00 WAT1 ATOM 4242 H1 TIP3 912 8.978 4.540 3.917 1.00 0.00 WAT1 ATOM 4243 H2 TIP3 912 7.871 5.546 3.526 1.00 0.00 WAT1 ATOM 4244 OH2 TIP3 913 6.396 4.624 -1.725 1.00 0.00 WAT1 ATOM 4245 H1 TIP3 913 6.863 4.346 -2.520 1.00 0.00 WAT1 ATOM 4246 H2 TIP3 913 6.340 3.810 -1.185 1.00 0.00 WAT1 ATOM 4247 OH2 TIP3 914 -3.419 5.278 2.328 1.00 0.00 WAT1 ATOM 4248 H1 TIP3 914 -3.908 6.024 1.919 1.00 0.00 WAT1 ATOM 4249 H2 TIP3 914 -3.810 4.485 1.907 1.00 0.00 WAT1 ATOM 4250 OH2 TIP3 915 9.846 -0.439 4.692 1.00 0.00 WAT1 ATOM 4251 H1 TIP3 915 10.210 0.314 5.196 1.00 0.00 WAT1 ATOM 4252 H2 TIP3 915 9.922 -0.153 3.756 1.00 0.00 WAT1 ATOM 4253 OH2 TIP3 916 -5.124 -0.286 -3.000 1.00 0.00 WAT1 ATOM 4254 H1 TIP3 916 -5.808 -0.616 -3.591 1.00 0.00 WAT1 ATOM 4255 H2 TIP3 916 -5.357 -0.666 -2.124 1.00 0.00 WAT1 ATOM 4256 OH2 TIP3 917 -4.705 14.491 1.040 1.00 0.00 WAT1 ATOM 4257 H1 TIP3 917 -5.472 14.307 0.463 1.00 0.00 WAT1 ATOM 4258 H2 TIP3 917 -4.161 15.110 0.517 1.00 0.00 WAT1 ATOM 4259 OH2 TIP3 918 -3.455 15.958 -1.083 1.00 0.00 WAT1 ATOM 4260 H1 TIP3 918 -3.714 16.717 -1.650 1.00 0.00 WAT1 ATOM 4261 H2 TIP3 918 -2.576 16.195 -0.755 1.00 0.00 WAT1 ATOM 4262 OH2 TIP3 919 -0.812 15.471 0.269 1.00 0.00 WAT1 ATOM 4263 H1 TIP3 919 0.080 15.292 0.627 1.00 0.00 WAT1 ATOM 4264 H2 TIP3 919 -0.718 15.304 -0.698 1.00 0.00 WAT1 ATOM 4265 OH2 TIP3 920 9.948 0.417 -1.872 1.00 0.00 WAT1 ATOM 4266 H1 TIP3 920 9.770 -0.488 -2.213 1.00 0.00 WAT1 ATOM 4267 H2 TIP3 920 10.579 0.277 -1.146 1.00 0.00 WAT1 ATOM 4268 OH2 TIP3 921 -4.118 18.056 -2.854 1.00 0.00 WAT1 ATOM 4269 H1 TIP3 921 -4.246 18.997 -2.581 1.00 0.00 WAT1 ATOM 4270 H2 TIP3 921 -4.697 17.954 -3.637 1.00 0.00 WAT1 ATOM 4271 OH2 TIP3 922 -5.538 17.836 -5.249 1.00 0.00 WAT1 ATOM 4272 H1 TIP3 922 -6.490 18.058 -5.371 1.00 0.00 WAT1 ATOM 4273 H2 TIP3 922 -5.433 16.996 -5.709 1.00 0.00 WAT1 ATOM 4274 OH2 TIP3 923 2.121 15.882 -4.600 1.00 0.00 WAT1 ATOM 4275 H1 TIP3 923 1.219 16.285 -4.600 1.00 0.00 WAT1 ATOM 4276 H2 TIP3 923 2.711 16.620 -4.409 1.00 0.00 WAT1 ATOM 4277 OH2 TIP3 924 -5.533 23.407 -12.771 1.00 0.00 WAT1 ATOM 4278 H1 TIP3 924 -6.458 23.369 -12.419 1.00 0.00 WAT1 ATOM 4279 H2 TIP3 924 -5.167 24.233 -12.390 1.00 0.00 WAT1 ATOM 4280 OH2 TIP3 925 -5.543 1.013 0.592 1.00 0.00 WAT1 ATOM 4281 H1 TIP3 925 -6.426 1.110 1.022 1.00 0.00 WAT1 ATOM 4282 H2 TIP3 925 -5.591 0.141 0.145 1.00 0.00 WAT1 ATOM 4283 OH2 TIP3 926 -5.324 20.895 -11.718 1.00 0.00 WAT1 ATOM 4284 H1 TIP3 926 -5.399 21.770 -12.168 1.00 0.00 WAT1 ATOM 4285 H2 TIP3 926 -5.947 20.957 -10.976 1.00 0.00 WAT1 ATOM 4286 OH2 TIP3 927 -5.595 10.270 14.277 1.00 0.00 WAT1 ATOM 4287 H1 TIP3 927 -5.914 9.408 14.609 1.00 0.00 WAT1 ATOM 4288 H2 TIP3 927 -5.101 10.048 13.465 1.00 0.00 WAT1 ATOM 4289 OH2 TIP3 928 -6.650 6.642 12.340 1.00 0.00 WAT1 ATOM 4290 H1 TIP3 928 -6.952 5.745 12.523 1.00 0.00 WAT1 ATOM 4291 H2 TIP3 928 -6.093 6.545 11.526 1.00 0.00 WAT1 ATOM 4292 OH2 TIP3 929 -7.018 9.342 11.456 1.00 0.00 WAT1 ATOM 4293 H1 TIP3 929 -6.063 9.537 11.372 1.00 0.00 WAT1 ATOM 4294 H2 TIP3 929 -7.048 8.395 11.680 1.00 0.00 WAT1 ATOM 4295 OH2 TIP3 930 5.414 13.885 10.338 1.00 0.00 WAT1 ATOM 4296 H1 TIP3 930 5.807 14.450 9.640 1.00 0.00 WAT1 ATOM 4297 H2 TIP3 930 6.089 13.894 11.056 1.00 0.00 WAT1 ATOM 4298 OH2 TIP3 931 8.747 4.285 16.087 1.00 0.00 WAT1 ATOM 4299 H1 TIP3 931 7.856 4.590 15.805 1.00 0.00 WAT1 ATOM 4300 H2 TIP3 931 9.076 4.998 16.641 1.00 0.00 WAT1 ATOM 4301 OH2 TIP3 932 -0.009 7.682 13.878 1.00 0.00 WAT1 ATOM 4302 H1 TIP3 932 -0.611 6.968 13.633 1.00 0.00 WAT1 ATOM 4303 H2 TIP3 932 0.209 7.499 14.827 1.00 0.00 WAT1 ATOM 4304 OH2 TIP3 933 -1.887 9.641 9.549 1.00 0.00 WAT1 ATOM 4305 H1 TIP3 933 -2.848 9.727 9.518 1.00 0.00 WAT1 ATOM 4306 H2 TIP3 933 -1.643 9.378 8.633 1.00 0.00 WAT1 ATOM 4307 OH2 TIP3 934 1.508 4.441 8.628 1.00 0.00 WAT1 ATOM 4308 H1 TIP3 934 2.381 4.239 8.989 1.00 0.00 WAT1 ATOM 4309 H2 TIP3 934 1.268 3.644 8.132 1.00 0.00 WAT1 ATOM 4310 OH2 TIP3 935 -4.317 10.045 11.757 1.00 0.00 WAT1 ATOM 4311 H1 TIP3 935 -3.538 9.473 11.932 1.00 0.00 WAT1 ATOM 4312 H2 TIP3 935 -3.933 10.859 11.376 1.00 0.00 WAT1 ATOM 4313 OH2 TIP3 936 -8.011 6.085 18.582 1.00 0.00 WAT1 ATOM 4314 H1 TIP3 936 -7.349 5.917 19.292 1.00 0.00 WAT1 ATOM 4315 H2 TIP3 936 -8.738 5.493 18.792 1.00 0.00 WAT1 ATOM 4316 OH2 TIP3 937 -5.086 12.132 5.346 1.00 0.00 WAT1 ATOM 4317 H1 TIP3 937 -4.345 12.673 5.695 1.00 0.00 WAT1 ATOM 4318 H2 TIP3 937 -5.089 12.326 4.383 1.00 0.00 WAT1 ATOM 4319 OH2 TIP3 938 9.285 12.650 13.477 1.00 0.00 WAT1 ATOM 4320 H1 TIP3 938 10.214 12.883 13.586 1.00 0.00 WAT1 ATOM 4321 H2 TIP3 938 9.015 12.311 14.364 1.00 0.00 WAT1 ATOM 4322 OH2 TIP3 939 7.514 1.721 12.738 1.00 0.00 WAT1 ATOM 4323 H1 TIP3 939 8.263 1.713 13.361 1.00 0.00 WAT1 ATOM 4324 H2 TIP3 939 7.275 2.668 12.666 1.00 0.00 WAT1 ATOM 4325 OH2 TIP3 940 7.504 10.839 9.597 1.00 0.00 WAT1 ATOM 4326 H1 TIP3 940 7.259 11.592 9.007 1.00 0.00 WAT1 ATOM 4327 H2 TIP3 940 8.484 10.787 9.522 1.00 0.00 WAT1 ATOM 4328 OH2 TIP3 941 7.304 8.013 15.585 1.00 0.00 WAT1 ATOM 4329 H1 TIP3 941 7.814 8.160 14.757 1.00 0.00 WAT1 ATOM 4330 H2 TIP3 941 7.719 8.604 16.228 1.00 0.00 WAT1 ATOM 4331 OH2 TIP3 942 8.656 8.600 13.263 1.00 0.00 WAT1 ATOM 4332 H1 TIP3 942 8.110 9.334 12.902 1.00 0.00 WAT1 ATOM 4333 H2 TIP3 942 9.559 8.938 13.224 1.00 0.00 WAT1 ATOM 4334 OH2 TIP3 943 3.809 4.839 15.335 1.00 0.00 WAT1 ATOM 4335 H1 TIP3 943 3.996 4.468 14.437 1.00 0.00 WAT1 ATOM 4336 H2 TIP3 943 2.993 4.403 15.600 1.00 0.00 WAT1 ATOM 4337 OH2 TIP3 944 -4.821 10.978 19.957 1.00 0.00 WAT1 ATOM 4338 H1 TIP3 944 -4.874 11.937 20.117 1.00 0.00 WAT1 ATOM 4339 H2 TIP3 944 -5.750 10.712 19.805 1.00 0.00 WAT1 ATOM 4340 OH2 TIP3 945 9.122 15.313 6.744 1.00 0.00 WAT1 ATOM 4341 H1 TIP3 945 9.496 14.504 7.173 1.00 0.00 WAT1 ATOM 4342 H2 TIP3 945 9.866 15.925 6.708 1.00 0.00 WAT1 ATOM 4343 OH2 TIP3 946 -6.445 12.637 17.961 1.00 0.00 WAT1 ATOM 4344 H1 TIP3 946 -6.814 11.782 18.260 1.00 0.00 WAT1 ATOM 4345 H2 TIP3 946 -6.101 13.045 18.779 1.00 0.00 WAT1 ATOM 4346 OH2 TIP3 947 -0.312 19.562 7.222 1.00 0.00 WAT1 ATOM 4347 H1 TIP3 947 -1.056 19.009 7.541 1.00 0.00 WAT1 ATOM 4348 H2 TIP3 947 -0.748 20.323 6.782 1.00 0.00 WAT1 ATOM 4349 OH2 TIP3 948 3.420 15.221 4.770 1.00 0.00 WAT1 ATOM 4350 H1 TIP3 948 3.186 14.390 4.306 1.00 0.00 WAT1 ATOM 4351 H2 TIP3 948 4.362 15.120 4.970 1.00 0.00 WAT1 ATOM 4352 OH2 TIP3 949 3.050 15.117 8.504 1.00 0.00 WAT1 ATOM 4353 H1 TIP3 949 2.573 15.664 7.847 1.00 0.00 WAT1 ATOM 4354 H2 TIP3 949 2.470 14.332 8.629 1.00 0.00 WAT1 ATOM 4355 OH2 TIP3 950 -6.453 8.103 17.628 1.00 0.00 WAT1 ATOM 4356 H1 TIP3 950 -6.413 8.003 16.655 1.00 0.00 WAT1 ATOM 4357 H2 TIP3 950 -7.014 7.349 17.924 1.00 0.00 WAT1 ATOM 4358 OH2 TIP3 951 -2.570 7.199 8.104 1.00 0.00 WAT1 ATOM 4359 H1 TIP3 951 -3.523 7.082 7.911 1.00 0.00 WAT1 ATOM 4360 H2 TIP3 951 -2.488 6.962 9.051 1.00 0.00 WAT1 ATOM 4361 OH2 TIP3 952 4.295 8.444 19.486 1.00 0.00 WAT1 ATOM 4362 H1 TIP3 952 4.654 7.784 20.086 1.00 0.00 WAT1 ATOM 4363 H2 TIP3 952 3.935 7.919 18.741 1.00 0.00 WAT1 ATOM 4364 OH2 TIP3 953 0.797 6.458 6.646 1.00 0.00 WAT1 ATOM 4365 H1 TIP3 953 0.804 5.926 7.464 1.00 0.00 WAT1 ATOM 4366 H2 TIP3 953 -0.144 6.686 6.514 1.00 0.00 WAT1 ATOM 4367 OH2 TIP3 954 -6.820 7.838 14.836 1.00 0.00 WAT1 ATOM 4368 H1 TIP3 954 -7.778 7.753 14.910 1.00 0.00 WAT1 ATOM 4369 H2 TIP3 954 -6.612 7.446 13.958 1.00 0.00 WAT1 ATOM 4370 OH2 TIP3 955 -4.222 6.460 4.662 1.00 0.00 WAT1 ATOM 4371 H1 TIP3 955 -5.102 6.756 4.349 1.00 0.00 WAT1 ATOM 4372 H2 TIP3 955 -3.881 5.907 3.924 1.00 0.00 WAT1 ATOM 4373 OH2 TIP3 956 2.210 9.292 14.181 1.00 0.00 WAT1 ATOM 4374 H1 TIP3 956 1.451 8.670 14.114 1.00 0.00 WAT1 ATOM 4375 H2 TIP3 956 2.751 8.931 14.909 1.00 0.00 WAT1 ATOM 4376 OH2 TIP3 957 0.147 5.509 10.899 1.00 0.00 WAT1 ATOM 4377 H1 TIP3 957 0.807 5.221 11.538 1.00 0.00 WAT1 ATOM 4378 H2 TIP3 957 0.455 5.134 10.051 1.00 0.00 WAT1 ATOM 4379 OH2 TIP3 958 -7.132 8.572 6.740 1.00 0.00 WAT1 ATOM 4380 H1 TIP3 958 -7.473 9.099 7.479 1.00 0.00 WAT1 ATOM 4381 H2 TIP3 958 -6.995 9.225 6.029 1.00 0.00 WAT1 ATOM 4382 OH2 TIP3 959 -1.711 7.092 5.592 1.00 0.00 WAT1 ATOM 4383 H1 TIP3 959 -1.934 7.310 6.530 1.00 0.00 WAT1 ATOM 4384 H2 TIP3 959 -2.568 6.810 5.208 1.00 0.00 WAT1 ATOM 4385 OH2 TIP3 960 4.375 3.795 12.870 1.00 0.00 WAT1 ATOM 4386 H1 TIP3 960 5.281 3.995 12.585 1.00 0.00 WAT1 ATOM 4387 H2 TIP3 960 4.156 2.957 12.401 1.00 0.00 WAT1 ATOM 4388 OH2 TIP3 961 -5.595 13.696 20.371 1.00 0.00 WAT1 ATOM 4389 H1 TIP3 961 -5.416 13.775 21.332 1.00 0.00 WAT1 ATOM 4390 H2 TIP3 961 -6.044 14.537 20.143 1.00 0.00 WAT1 ATOM 4391 OH2 TIP3 962 -5.181 6.265 10.123 1.00 0.00 WAT1 ATOM 4392 H1 TIP3 962 -4.223 6.236 10.328 1.00 0.00 WAT1 ATOM 4393 H2 TIP3 962 -5.216 6.306 9.147 1.00 0.00 WAT1 ATOM 4394 OH2 TIP3 963 -6.054 5.871 20.460 1.00 0.00 WAT1 ATOM 4395 H1 TIP3 963 -5.471 6.618 20.263 1.00 0.00 WAT1 ATOM 4396 H2 TIP3 963 -5.546 5.328 21.071 1.00 0.00 WAT1 ATOM 4397 OH2 TIP3 964 7.463 10.912 12.354 1.00 0.00 WAT1 ATOM 4398 H1 TIP3 964 7.387 10.924 11.373 1.00 0.00 WAT1 ATOM 4399 H2 TIP3 964 8.085 11.645 12.554 1.00 0.00 WAT1 ATOM 4400 OH2 TIP3 965 2.549 13.168 19.360 1.00 0.00 WAT1 ATOM 4401 H1 TIP3 965 2.441 12.803 20.257 1.00 0.00 WAT1 ATOM 4402 H2 TIP3 965 3.359 12.745 19.031 1.00 0.00 WAT1 ATOM 4403 OH2 TIP3 966 -7.347 10.266 19.073 1.00 0.00 WAT1 ATOM 4404 H1 TIP3 966 -7.030 9.520 18.513 1.00 0.00 WAT1 ATOM 4405 H2 TIP3 966 -8.266 10.046 19.261 1.00 0.00 WAT1 ATOM 4406 OH2 TIP3 967 -1.163 8.290 18.182 1.00 0.00 WAT1 ATOM 4407 H1 TIP3 967 -2.134 8.426 18.105 1.00 0.00 WAT1 ATOM 4408 H2 TIP3 967 -1.011 8.240 19.128 1.00 0.00 WAT1 ATOM 4409 OH2 TIP3 968 0.616 11.173 12.935 1.00 0.00 WAT1 ATOM 4410 H1 TIP3 968 1.050 12.058 12.876 1.00 0.00 WAT1 ATOM 4411 H2 TIP3 968 1.285 10.603 13.367 1.00 0.00 WAT1 ATOM 4412 OH2 TIP3 969 7.028 12.812 7.807 1.00 0.00 WAT1 ATOM 4413 H1 TIP3 969 7.202 13.702 8.189 1.00 0.00 WAT1 ATOM 4414 H2 TIP3 969 7.391 12.868 6.898 1.00 0.00 WAT1 ATOM 4415 OH2 TIP3 970 -6.849 7.225 4.159 1.00 0.00 WAT1 ATOM 4416 H1 TIP3 970 -7.181 7.238 5.072 1.00 0.00 WAT1 ATOM 4417 H2 TIP3 970 -6.754 8.176 3.928 1.00 0.00 WAT1 ATOM 4418 OH2 TIP3 971 6.348 10.882 17.417 1.00 0.00 WAT1 ATOM 4419 H1 TIP3 971 5.669 10.325 17.017 1.00 0.00 WAT1 ATOM 4420 H2 TIP3 971 5.950 11.165 18.271 1.00 0.00 WAT1 ATOM 4421 OH2 TIP3 972 0.827 7.379 16.413 1.00 0.00 WAT1 ATOM 4422 H1 TIP3 972 1.593 7.212 16.989 1.00 0.00 WAT1 ATOM 4423 H2 TIP3 972 0.120 7.678 17.031 1.00 0.00 WAT1 ATOM 4424 OH2 TIP3 973 0.676 0.354 5.899 1.00 0.00 WAT1 ATOM 4425 H1 TIP3 973 1.408 0.722 6.452 1.00 0.00 WAT1 ATOM 4426 H2 TIP3 973 -0.109 0.463 6.446 1.00 0.00 WAT1 ATOM 4427 OH2 TIP3 974 5.911 8.699 8.914 1.00 0.00 WAT1 ATOM 4428 H1 TIP3 974 6.427 9.521 9.065 1.00 0.00 WAT1 ATOM 4429 H2 TIP3 974 6.424 8.018 9.356 1.00 0.00 WAT1 ATOM 4430 OH2 TIP3 975 -5.844 9.646 0.914 1.00 0.00 WAT1 ATOM 4431 H1 TIP3 975 -5.799 10.225 1.692 1.00 0.00 WAT1 ATOM 4432 H2 TIP3 975 -6.636 9.961 0.429 1.00 0.00 WAT1 ATOM 4433 OH2 TIP3 976 7.317 14.198 12.248 1.00 0.00 WAT1 ATOM 4434 H1 TIP3 976 7.491 15.142 12.351 1.00 0.00 WAT1 ATOM 4435 H2 TIP3 976 8.089 13.764 12.658 1.00 0.00 WAT1 ATOM 4436 OH2 TIP3 977 -3.866 17.590 16.888 1.00 0.00 WAT1 ATOM 4437 H1 TIP3 977 -4.371 18.328 17.269 1.00 0.00 WAT1 ATOM 4438 H2 TIP3 977 -4.498 16.838 16.892 1.00 0.00 WAT1 ATOM 4439 OH2 TIP3 978 -2.448 14.485 21.460 1.00 0.00 WAT1 ATOM 4440 H1 TIP3 978 -1.759 13.882 21.758 1.00 0.00 WAT1 ATOM 4441 H2 TIP3 978 -3.271 14.113 21.835 1.00 0.00 WAT1 ATOM 4442 OH2 TIP3 979 0.137 14.298 3.557 1.00 0.00 WAT1 ATOM 4443 H1 TIP3 979 0.437 15.202 3.325 1.00 0.00 WAT1 ATOM 4444 H2 TIP3 979 0.938 13.742 3.433 1.00 0.00 WAT1 ATOM 4445 OH2 TIP3 980 5.641 11.009 14.447 1.00 0.00 WAT1 ATOM 4446 H1 TIP3 980 5.832 11.822 14.937 1.00 0.00 WAT1 ATOM 4447 H2 TIP3 980 6.316 10.994 13.735 1.00 0.00 WAT1 ATOM 4448 OH2 TIP3 981 5.028 12.584 4.551 1.00 0.00 WAT1 ATOM 4449 H1 TIP3 981 5.975 12.821 4.562 1.00 0.00 WAT1 ATOM 4450 H2 TIP3 981 4.745 12.692 5.484 1.00 0.00 WAT1 ATOM 4451 OH2 TIP3 982 -6.751 16.016 19.451 1.00 0.00 WAT1 ATOM 4452 H1 TIP3 982 -6.400 15.837 18.545 1.00 0.00 WAT1 ATOM 4453 H2 TIP3 982 -7.688 16.196 19.308 1.00 0.00 WAT1 ATOM 4454 OH2 TIP3 983 2.831 11.591 21.732 1.00 0.00 WAT1 ATOM 4455 H1 TIP3 983 2.274 10.806 21.710 1.00 0.00 WAT1 ATOM 4456 H2 TIP3 983 3.025 11.718 22.687 1.00 0.00 WAT1 ATOM 4457 OH2 TIP3 984 4.675 8.708 15.481 1.00 0.00 WAT1 ATOM 4458 H1 TIP3 984 5.562 8.293 15.508 1.00 0.00 WAT1 ATOM 4459 H2 TIP3 984 4.847 9.607 15.117 1.00 0.00 WAT1 ATOM 4460 OH2 TIP3 985 -3.893 8.698 18.682 1.00 0.00 WAT1 ATOM 4461 H1 TIP3 985 -4.092 9.525 19.173 1.00 0.00 WAT1 ATOM 4462 H2 TIP3 985 -4.745 8.458 18.268 1.00 0.00 WAT1 ATOM 4463 OH2 TIP3 986 4.654 11.169 19.591 1.00 0.00 WAT1 ATOM 4464 H1 TIP3 986 4.537 10.194 19.538 1.00 0.00 WAT1 ATOM 4465 H2 TIP3 986 4.240 11.412 20.440 1.00 0.00 WAT1 ATOM 4466 OH2 TIP3 987 9.351 10.201 5.754 1.00 0.00 WAT1 ATOM 4467 H1 TIP3 987 9.473 11.068 6.164 1.00 0.00 WAT1 ATOM 4468 H2 TIP3 987 10.180 10.054 5.255 1.00 0.00 WAT1 ATOM 4469 OH2 TIP3 988 -1.906 8.790 12.144 1.00 0.00 WAT1 ATOM 4470 H1 TIP3 988 -1.084 8.686 12.665 1.00 0.00 WAT1 ATOM 4471 H2 TIP3 988 -1.600 9.127 11.271 1.00 0.00 WAT1 ATOM 4472 OH2 TIP3 989 3.542 6.949 17.281 1.00 0.00 WAT1 ATOM 4473 H1 TIP3 989 3.877 7.624 16.653 1.00 0.00 WAT1 ATOM 4474 H2 TIP3 989 3.666 6.104 16.808 1.00 0.00 WAT1 ATOM 4475 OH2 TIP3 990 -0.232 14.467 6.237 1.00 0.00 WAT1 ATOM 4476 H1 TIP3 990 0.312 15.223 6.520 1.00 0.00 WAT1 ATOM 4477 H2 TIP3 990 -0.051 14.387 5.280 1.00 0.00 WAT1 ATOM 4478 OH2 TIP3 991 -5.230 12.319 2.620 1.00 0.00 WAT1 ATOM 4479 H1 TIP3 991 -4.980 13.139 2.135 1.00 0.00 WAT1 ATOM 4480 H2 TIP3 991 -6.203 12.260 2.503 1.00 0.00 WAT1 ATOM 4481 OH2 TIP3 992 10.298 7.234 5.414 1.00 0.00 WAT1 ATOM 4482 H1 TIP3 992 9.724 6.736 4.789 1.00 0.00 WAT1 ATOM 4483 H2 TIP3 992 10.524 8.053 4.930 1.00 0.00 WAT1 ATOM 4484 OH2 TIP3 993 11.444 12.174 5.475 1.00 0.00 WAT1 ATOM 4485 H1 TIP3 993 10.980 12.591 4.720 1.00 0.00 WAT1 ATOM 4486 H2 TIP3 993 11.821 11.359 5.100 1.00 0.00 WAT1 ATOM 4487 OH2 TIP3 994 10.263 10.761 9.448 1.00 0.00 WAT1 ATOM 4488 H1 TIP3 994 10.497 9.933 8.972 1.00 0.00 WAT1 ATOM 4489 H2 TIP3 994 11.001 10.903 10.052 1.00 0.00 WAT1 ATOM 4490 OH2 TIP3 995 8.539 11.649 15.927 1.00 0.00 WAT1 ATOM 4491 H1 TIP3 995 7.718 11.386 16.405 1.00 0.00 WAT1 ATOM 4492 H2 TIP3 995 9.159 11.868 16.632 1.00 0.00 WAT1 ATOM 4493 OH2 TIP3 996 12.648 5.824 5.926 1.00 0.00 WAT1 ATOM 4494 H1 TIP3 996 11.759 6.216 5.804 1.00 0.00 WAT1 ATOM 4495 H2 TIP3 996 12.827 5.375 5.088 1.00 0.00 WAT1 ATOM 4496 OH2 TIP3 997 8.715 5.753 7.104 1.00 0.00 WAT1 ATOM 4497 H1 TIP3 997 8.559 5.010 6.492 1.00 0.00 WAT1 ATOM 4498 H2 TIP3 997 9.301 6.354 6.602 1.00 0.00 WAT1 ATOM 4499 OH2 TIP3 998 -7.571 11.563 12.922 1.00 0.00 WAT1 ATOM 4500 H1 TIP3 998 -7.578 10.815 12.280 1.00 0.00 WAT1 ATOM 4501 H2 TIP3 998 -6.874 11.310 13.569 1.00 0.00 WAT1 ATOM 4502 OH2 TIP3 999 7.253 4.454 12.627 1.00 0.00 WAT1 ATOM 4503 H1 TIP3 999 8.035 4.999 12.394 1.00 0.00 WAT1 ATOM 4504 H2 TIP3 999 6.984 4.789 13.512 1.00 0.00 WAT1 ATOM 4505 OH2 TIP3 1000 6.486 5.428 15.069 1.00 0.00 WAT1 ATOM 4506 H1 TIP3 1000 5.536 5.272 15.271 1.00 0.00 WAT1 ATOM 4507 H2 TIP3 1000 6.636 6.362 15.321 1.00 0.00 WAT1 ATOM 4508 OH2 TIP3 1001 4.421 13.045 7.181 1.00 0.00 WAT1 ATOM 4509 H1 TIP3 1001 5.344 12.922 7.500 1.00 0.00 WAT1 ATOM 4510 H2 TIP3 1001 4.106 13.839 7.658 1.00 0.00 WAT1 ATOM 4511 OH2 TIP3 1002 -5.420 15.394 17.192 1.00 0.00 WAT1 ATOM 4512 H1 TIP3 1002 -5.810 14.945 16.418 1.00 0.00 WAT1 ATOM 4513 H2 TIP3 1002 -4.751 14.768 17.521 1.00 0.00 WAT1 ATOM 4514 OH2 TIP3 1003 0.686 15.329 14.988 1.00 0.00 WAT1 ATOM 4515 H1 TIP3 1003 1.146 15.137 15.830 1.00 0.00 WAT1 ATOM 4516 H2 TIP3 1003 -0.107 15.838 15.265 1.00 0.00 WAT1 ATOM 4517 OH2 TIP3 1004 2.459 23.314 19.045 1.00 0.00 WAT1 ATOM 4518 H1 TIP3 1004 3.313 23.335 19.493 1.00 0.00 WAT1 ATOM 4519 H2 TIP3 1004 1.844 22.948 19.721 1.00 0.00 WAT1 ATOM 4520 OH2 TIP3 1005 1.529 13.734 12.949 1.00 0.00 WAT1 ATOM 4521 H1 TIP3 1005 2.086 14.282 12.356 1.00 0.00 WAT1 ATOM 4522 H2 TIP3 1005 1.274 14.351 13.673 1.00 0.00 WAT1 ATOM 4523 OH2 TIP3 1006 -1.408 16.447 16.309 1.00 0.00 WAT1 ATOM 4524 H1 TIP3 1006 -0.918 16.686 17.119 1.00 0.00 WAT1 ATOM 4525 H2 TIP3 1006 -2.292 16.865 16.432 1.00 0.00 WAT1 ATOM 4526 OH2 TIP3 1007 4.122 1.440 11.449 1.00 0.00 WAT1 ATOM 4527 H1 TIP3 1007 4.896 0.873 11.599 1.00 0.00 WAT1 ATOM 4528 H2 TIP3 1007 3.536 0.893 10.903 1.00 0.00 WAT1 ATOM 4529 OH2 TIP3 1008 6.445 -0.448 11.469 1.00 0.00 WAT1 ATOM 4530 H1 TIP3 1008 6.774 0.333 11.969 1.00 0.00 WAT1 ATOM 4531 H2 TIP3 1008 7.234 -1.016 11.380 1.00 0.00 WAT1 ATOM 4532 OH2 TIP3 1009 -8.021 3.513 5.722 1.00 0.00 WAT1 ATOM 4533 H1 TIP3 1009 -8.184 3.904 6.589 1.00 0.00 WAT1 ATOM 4534 H2 TIP3 1009 -7.090 3.263 5.746 1.00 0.00 WAT1 ATOM 4535 OH2 TIP3 1010 -2.466 6.449 10.738 1.00 0.00 WAT1 ATOM 4536 H1 TIP3 1010 -1.575 6.036 10.790 1.00 0.00 WAT1 ATOM 4537 H2 TIP3 1010 -2.415 7.203 11.359 1.00 0.00 WAT1 ATOM 4538 OH2 TIP3 1011 2.746 1.485 7.200 1.00 0.00 WAT1 ATOM 4539 H1 TIP3 1011 3.409 0.769 7.309 1.00 0.00 WAT1 ATOM 4540 H2 TIP3 1011 3.138 2.073 6.524 1.00 0.00 WAT1 ATOM 4541 OH2 TIP3 1012 -2.062 16.999 5.158 1.00 0.00 WAT1 ATOM 4542 H1 TIP3 1012 -2.312 17.853 4.738 1.00 0.00 WAT1 ATOM 4543 H2 TIP3 1012 -1.733 16.465 4.425 1.00 0.00 WAT1 ATOM 4544 OH2 TIP3 1013 -5.154 6.731 7.323 1.00 0.00 WAT1 ATOM 4545 H1 TIP3 1013 -4.808 6.586 6.418 1.00 0.00 WAT1 ATOM 4546 H2 TIP3 1013 -5.862 7.404 7.204 1.00 0.00 WAT1 ATOM 4547 OH2 TIP3 1014 1.144 1.563 3.443 1.00 0.00 WAT1 ATOM 4548 H1 TIP3 1014 1.027 1.184 4.339 1.00 0.00 WAT1 ATOM 4549 H2 TIP3 1014 0.425 1.159 2.919 1.00 0.00 WAT1 ATOM 4550 OH2 TIP3 1015 1.816 15.163 1.099 1.00 0.00 WAT1 ATOM 4551 H1 TIP3 1015 2.288 14.448 1.554 1.00 0.00 WAT1 ATOM 4552 H2 TIP3 1015 1.800 15.893 1.754 1.00 0.00 WAT1 ATOM 4553 OH2 TIP3 1016 -2.924 13.919 5.768 1.00 0.00 WAT1 ATOM 4554 H1 TIP3 1016 -2.007 14.011 6.101 1.00 0.00 WAT1 ATOM 4555 H2 TIP3 1016 -3.261 14.825 5.756 1.00 0.00 WAT1 ATOM 4556 OH2 TIP3 1017 -3.751 16.703 22.518 1.00 0.00 WAT1 ATOM 4557 H1 TIP3 1017 -3.002 16.166 22.202 1.00 0.00 WAT1 ATOM 4558 H2 TIP3 1017 -4.077 17.151 21.715 1.00 0.00 WAT1 ATOM 4559 OH2 TIP3 1018 1.060 14.749 17.693 1.00 0.00 WAT1 ATOM 4560 H1 TIP3 1018 0.836 15.560 18.189 1.00 0.00 WAT1 ATOM 4561 H2 TIP3 1018 1.664 14.253 18.298 1.00 0.00 WAT1 ATOM 4562 OH2 TIP3 1019 -4.803 14.204 22.925 1.00 0.00 WAT1 ATOM 4563 H1 TIP3 1019 -5.139 13.976 23.800 1.00 0.00 WAT1 ATOM 4564 H2 TIP3 1019 -4.595 15.163 22.988 1.00 0.00 WAT1 ATOM 4565 OH2 TIP3 1020 3.089 11.441 24.481 1.00 0.00 WAT1 ATOM 4566 H1 TIP3 1020 3.115 10.683 25.076 1.00 0.00 WAT1 ATOM 4567 H2 TIP3 1020 3.307 12.192 25.044 1.00 0.00 WAT1 ATOM 4568 OH2 TIP3 1021 -3.009 15.096 18.800 1.00 0.00 WAT1 ATOM 4569 H1 TIP3 1021 -3.273 16.022 18.891 1.00 0.00 WAT1 ATOM 4570 H2 TIP3 1021 -2.842 14.804 19.717 1.00 0.00 WAT1 ATOM 4571 OH2 TIP3 1022 -10.005 31.386 -16.320 1.00 0.00 WAT1 ATOM 4572 H1 TIP3 1022 -9.142 31.846 -16.349 1.00 0.00 WAT1 ATOM 4573 H2 TIP3 1022 -10.187 31.282 -15.362 1.00 0.00 WAT1 ATOM 4574 OH2 TIP3 1023 -7.459 30.645 -17.941 1.00 0.00 WAT1 ATOM 4575 H1 TIP3 1023 -7.453 31.461 -17.410 1.00 0.00 WAT1 ATOM 4576 H2 TIP3 1023 -7.279 29.940 -17.290 1.00 0.00 WAT1 ATOM 4577 OH2 TIP3 1024 -10.098 36.176 -16.677 1.00 0.00 WAT1 ATOM 4578 H1 TIP3 1024 -11.034 35.948 -16.861 1.00 0.00 WAT1 ATOM 4579 H2 TIP3 1024 -9.802 35.487 -16.072 1.00 0.00 WAT1 ATOM 4580 OH2 TIP3 1025 -10.611 28.893 -17.513 1.00 0.00 WAT1 ATOM 4581 H1 TIP3 1025 -10.287 29.667 -17.013 1.00 0.00 WAT1 ATOM 4582 H2 TIP3 1025 -11.296 28.499 -16.924 1.00 0.00 WAT1 ATOM 4583 OH2 TIP3 1026 -7.815 25.934 -15.705 1.00 0.00 WAT1 ATOM 4584 H1 TIP3 1026 -7.650 26.217 -16.629 1.00 0.00 WAT1 ATOM 4585 H2 TIP3 1026 -7.342 25.073 -15.631 1.00 0.00 WAT1 ATOM 4586 OH2 TIP3 1027 -6.865 28.674 -16.080 1.00 0.00 WAT1 ATOM 4587 H1 TIP3 1027 -6.687 28.146 -16.885 1.00 0.00 WAT1 ATOM 4588 H2 TIP3 1027 -7.371 28.071 -15.514 1.00 0.00 WAT1 ATOM 4589 OH2 TIP3 1028 -7.008 26.821 -18.178 1.00 0.00 WAT1 ATOM 4590 H1 TIP3 1028 -7.354 27.052 -19.051 1.00 0.00 WAT1 ATOM 4591 H2 TIP3 1028 -6.548 25.959 -18.319 1.00 0.00 WAT1 ATOM 4592 OH2 TIP3 1029 -6.288 23.661 -15.430 1.00 0.00 WAT1 ATOM 4593 H1 TIP3 1029 -6.239 22.734 -15.759 1.00 0.00 WAT1 ATOM 4594 H2 TIP3 1029 -5.945 23.605 -14.510 1.00 0.00 WAT1 ATOM 4595 OH2 TIP3 1030 -7.549 32.718 -16.108 1.00 0.00 WAT1 ATOM 4596 H1 TIP3 1030 -7.409 32.901 -15.148 1.00 0.00 WAT1 ATOM 4597 H2 TIP3 1030 -7.025 33.394 -16.552 1.00 0.00 WAT1 ATOM 4598 OH2 TIP3 1031 -5.890 24.323 -18.082 1.00 0.00 WAT1 ATOM 4599 H1 TIP3 1031 -5.441 23.557 -18.452 1.00 0.00 WAT1 ATOM 4600 H2 TIP3 1031 -5.980 24.110 -17.129 1.00 0.00 WAT1 ATOM 4601 OH2 TIP3 1032 -2.468 21.808 -13.928 1.00 0.00 WAT1 ATOM 4602 H1 TIP3 1032 -1.710 21.288 -14.263 1.00 0.00 WAT1 ATOM 4603 H2 TIP3 1032 -3.252 21.332 -14.262 1.00 0.00 WAT1 ATOM 4604 OH2 TIP3 1033 -6.551 30.381 -3.747 1.00 0.00 WAT1 ATOM 4605 H1 TIP3 1033 -6.615 30.558 -4.699 1.00 0.00 WAT1 ATOM 4606 H2 TIP3 1033 -5.751 29.828 -3.658 1.00 0.00 WAT1 ATOM 4607 OH2 TIP3 1034 -2.536 25.771 -7.765 1.00 0.00 WAT1 ATOM 4608 H1 TIP3 1034 -1.678 25.431 -8.119 1.00 0.00 WAT1 ATOM 4609 H2 TIP3 1034 -2.904 26.280 -8.497 1.00 0.00 WAT1 ATOM 4610 OH2 TIP3 1035 0.681 21.195 -0.647 1.00 0.00 WAT1 ATOM 4611 H1 TIP3 1035 0.179 21.990 -0.344 1.00 0.00 WAT1 ATOM 4612 H2 TIP3 1035 1.540 21.545 -0.896 1.00 0.00 WAT1 ATOM 4613 OH2 TIP3 1036 -0.869 29.922 -3.144 1.00 0.00 WAT1 ATOM 4614 H1 TIP3 1036 -1.246 30.464 -2.415 1.00 0.00 WAT1 ATOM 4615 H2 TIP3 1036 -1.492 30.052 -3.883 1.00 0.00 WAT1 ATOM 4616 OH2 TIP3 1037 -4.290 32.291 -1.656 1.00 0.00 WAT1 ATOM 4617 H1 TIP3 1037 -4.172 32.570 -2.586 1.00 0.00 WAT1 ATOM 4618 H2 TIP3 1037 -3.436 31.873 -1.421 1.00 0.00 WAT1 ATOM 4619 OH2 TIP3 1038 -0.761 19.952 -5.713 1.00 0.00 WAT1 ATOM 4620 H1 TIP3 1038 -1.606 19.705 -6.135 1.00 0.00 WAT1 ATOM 4621 H2 TIP3 1038 -0.886 19.703 -4.774 1.00 0.00 WAT1 ATOM 4622 OH2 TIP3 1039 -5.498 28.175 -9.343 1.00 0.00 WAT1 ATOM 4623 H1 TIP3 1039 -4.932 28.336 -10.133 1.00 0.00 WAT1 ATOM 4624 H2 TIP3 1039 -6.193 28.850 -9.413 1.00 0.00 WAT1 ATOM 4625 OH2 TIP3 1040 -4.252 26.232 -5.479 1.00 0.00 WAT1 ATOM 4626 H1 TIP3 1040 -4.095 25.286 -5.281 1.00 0.00 WAT1 ATOM 4627 H2 TIP3 1040 -3.608 26.432 -6.183 1.00 0.00 WAT1 ATOM 4628 OH2 TIP3 1041 -2.901 27.530 1.465 1.00 0.00 WAT1 ATOM 4629 H1 TIP3 1041 -3.269 27.837 0.610 1.00 0.00 WAT1 ATOM 4630 H2 TIP3 1041 -1.963 27.820 1.435 1.00 0.00 WAT1 ATOM 4631 OH2 TIP3 1042 -2.114 30.844 -0.937 1.00 0.00 WAT1 ATOM 4632 H1 TIP3 1042 -2.581 29.990 -0.842 1.00 0.00 WAT1 ATOM 4633 H2 TIP3 1042 -1.741 31.014 -0.039 1.00 0.00 WAT1 ATOM 4634 OH2 TIP3 1043 -4.946 25.921 -11.724 1.00 0.00 WAT1 ATOM 4635 H1 TIP3 1043 -5.739 26.168 -12.263 1.00 0.00 WAT1 ATOM 4636 H2 TIP3 1043 -4.195 26.331 -12.200 1.00 0.00 WAT1 ATOM 4637 OH2 TIP3 1044 -7.213 32.007 -6.065 1.00 0.00 WAT1 ATOM 4638 H1 TIP3 1044 -7.252 32.565 -5.259 1.00 0.00 WAT1 ATOM 4639 H2 TIP3 1044 -7.734 32.510 -6.730 1.00 0.00 WAT1 ATOM 4640 OH2 TIP3 1045 -6.565 32.425 -0.279 1.00 0.00 WAT1 ATOM 4641 H1 TIP3 1045 -6.736 33.366 -0.494 1.00 0.00 WAT1 ATOM 4642 H2 TIP3 1045 -5.662 32.257 -0.646 1.00 0.00 WAT1 ATOM 4643 OH2 TIP3 1046 -1.512 18.761 -3.357 1.00 0.00 WAT1 ATOM 4644 H1 TIP3 1046 -2.458 18.522 -3.261 1.00 0.00 WAT1 ATOM 4645 H2 TIP3 1046 -1.209 18.900 -2.433 1.00 0.00 WAT1 ATOM 4646 OH2 TIP3 1047 0.748 20.312 -8.736 1.00 0.00 WAT1 ATOM 4647 H1 TIP3 1047 0.262 19.605 -8.299 1.00 0.00 WAT1 ATOM 4648 H2 TIP3 1047 1.303 20.697 -8.022 1.00 0.00 WAT1 ATOM 4649 OH2 TIP3 1048 -2.695 21.621 -11.219 1.00 0.00 WAT1 ATOM 4650 H1 TIP3 1048 -3.598 21.264 -11.123 1.00 0.00 WAT1 ATOM 4651 H2 TIP3 1048 -2.562 21.668 -12.189 1.00 0.00 WAT1 ATOM 4652 OH2 TIP3 1049 -2.763 26.869 -13.071 1.00 0.00 WAT1 ATOM 4653 H1 TIP3 1049 -2.427 25.952 -12.899 1.00 0.00 WAT1 ATOM 4654 H2 TIP3 1049 -2.331 27.126 -13.892 1.00 0.00 WAT1 ATOM 4655 OH2 TIP3 1050 -3.195 28.262 -1.188 1.00 0.00 WAT1 ATOM 4656 H1 TIP3 1050 -3.750 28.421 -1.982 1.00 0.00 WAT1 ATOM 4657 H2 TIP3 1050 -2.451 27.745 -1.520 1.00 0.00 WAT1 ATOM 4658 OH2 TIP3 1051 -0.352 24.825 -9.066 1.00 0.00 WAT1 ATOM 4659 H1 TIP3 1051 0.440 25.206 -9.456 1.00 0.00 WAT1 ATOM 4660 H2 TIP3 1051 -0.378 23.908 -9.425 1.00 0.00 WAT1 ATOM 4661 OH2 TIP3 1052 1.259 25.802 -0.164 1.00 0.00 WAT1 ATOM 4662 H1 TIP3 1052 0.938 26.594 -0.634 1.00 0.00 WAT1 ATOM 4663 H2 TIP3 1052 1.787 26.155 0.564 1.00 0.00 WAT1 ATOM 4664 OH2 TIP3 1053 -4.243 28.488 -3.786 1.00 0.00 WAT1 ATOM 4665 H1 TIP3 1053 -3.644 29.048 -4.327 1.00 0.00 WAT1 ATOM 4666 H2 TIP3 1053 -4.319 27.656 -4.300 1.00 0.00 WAT1 ATOM 4667 OH2 TIP3 1054 -1.178 30.854 1.615 1.00 0.00 WAT1 ATOM 4668 H1 TIP3 1054 -0.388 31.001 2.186 1.00 0.00 WAT1 ATOM 4669 H2 TIP3 1054 -1.930 30.828 2.252 1.00 0.00 WAT1 ATOM 4670 OH2 TIP3 1055 -4.571 31.612 -6.627 1.00 0.00 WAT1 ATOM 4671 H1 TIP3 1055 -5.545 31.645 -6.479 1.00 0.00 WAT1 ATOM 4672 H2 TIP3 1055 -4.459 31.969 -7.532 1.00 0.00 WAT1 ATOM 4673 OH2 TIP3 1056 -8.894 28.400 -12.947 1.00 0.00 WAT1 ATOM 4674 H1 TIP3 1056 -9.207 28.912 -12.156 1.00 0.00 WAT1 ATOM 4675 H2 TIP3 1056 -9.711 28.277 -13.488 1.00 0.00 WAT1 ATOM 4676 OH2 TIP3 1057 -2.644 30.076 -5.342 1.00 0.00 WAT1 ATOM 4677 H1 TIP3 1057 -3.312 30.637 -5.795 1.00 0.00 WAT1 ATOM 4678 H2 TIP3 1057 -1.967 29.929 -6.012 1.00 0.00 WAT1 ATOM 4679 OH2 TIP3 1058 -9.884 35.826 -0.820 1.00 0.00 WAT1 ATOM 4680 H1 TIP3 1058 -9.862 36.745 -1.189 1.00 0.00 WAT1 ATOM 4681 H2 TIP3 1058 -9.599 35.936 0.116 1.00 0.00 WAT1 ATOM 4682 OH2 TIP3 1059 -10.625 30.960 -13.653 1.00 0.00 WAT1 ATOM 4683 H1 TIP3 1059 -10.806 30.008 -13.853 1.00 0.00 WAT1 ATOM 4684 H2 TIP3 1059 -10.331 30.953 -12.722 1.00 0.00 WAT1 ATOM 4685 OH2 TIP3 1060 -0.326 22.339 -10.173 1.00 0.00 WAT1 ATOM 4686 H1 TIP3 1060 -1.224 22.031 -10.444 1.00 0.00 WAT1 ATOM 4687 H2 TIP3 1060 0.024 21.599 -9.621 1.00 0.00 WAT1 ATOM 4688 OH2 TIP3 1061 1.091 20.942 -12.106 1.00 0.00 WAT1 ATOM 4689 H1 TIP3 1061 0.645 21.632 -11.574 1.00 0.00 WAT1 ATOM 4690 H2 TIP3 1061 1.691 20.517 -11.483 1.00 0.00 WAT1 ATOM 4691 OH2 TIP3 1062 -2.370 18.449 -13.921 1.00 0.00 WAT1 ATOM 4692 H1 TIP3 1062 -1.598 19.050 -14.016 1.00 0.00 WAT1 ATOM 4693 H2 TIP3 1062 -1.986 17.569 -13.932 1.00 0.00 WAT1 ATOM 4694 OH2 TIP3 1063 -4.876 32.880 -9.128 1.00 0.00 WAT1 ATOM 4695 H1 TIP3 1063 -5.079 33.638 -9.700 1.00 0.00 WAT1 ATOM 4696 H2 TIP3 1063 -5.123 32.108 -9.660 1.00 0.00 WAT1 ATOM 4697 OH2 TIP3 1064 -7.191 26.308 -13.074 1.00 0.00 WAT1 ATOM 4698 H1 TIP3 1064 -7.893 26.959 -12.861 1.00 0.00 WAT1 ATOM 4699 H2 TIP3 1064 -7.373 26.063 -14.003 1.00 0.00 WAT1 ATOM 4700 OH2 TIP3 1065 -4.370 35.131 -7.490 1.00 0.00 WAT1 ATOM 4701 H1 TIP3 1065 -3.800 34.979 -6.712 1.00 0.00 WAT1 ATOM 4702 H2 TIP3 1065 -4.497 34.246 -7.872 1.00 0.00 WAT1 ATOM 4703 OH2 TIP3 1066 -9.047 32.526 3.420 1.00 0.00 WAT1 ATOM 4704 H1 TIP3 1066 -8.870 31.869 4.134 1.00 0.00 WAT1 ATOM 4705 H2 TIP3 1066 -8.833 33.388 3.833 1.00 0.00 WAT1 ATOM 4706 OH2 TIP3 1067 -4.252 28.892 -11.670 1.00 0.00 WAT1 ATOM 4707 H1 TIP3 1067 -3.627 28.331 -12.165 1.00 0.00 WAT1 ATOM 4708 H2 TIP3 1067 -4.911 29.167 -12.340 1.00 0.00 WAT1 ATOM 4709 OH2 TIP3 1068 -0.303 28.337 0.951 1.00 0.00 WAT1 ATOM 4710 H1 TIP3 1068 -0.476 29.277 1.188 1.00 0.00 WAT1 ATOM 4711 H2 TIP3 1068 0.039 28.382 0.034 1.00 0.00 WAT1 ATOM 4712 OH2 TIP3 1069 -2.538 24.822 1.232 1.00 0.00 WAT1 ATOM 4713 H1 TIP3 1069 -3.351 24.413 1.547 1.00 0.00 WAT1 ATOM 4714 H2 TIP3 1069 -2.720 25.784 1.278 1.00 0.00 WAT1 ATOM 4715 OH2 TIP3 1070 -0.342 23.601 0.094 1.00 0.00 WAT1 ATOM 4716 H1 TIP3 1070 0.244 24.371 -0.076 1.00 0.00 WAT1 ATOM 4717 H2 TIP3 1070 -1.156 23.998 0.470 1.00 0.00 WAT1 ATOM 4718 OH2 TIP3 1071 0.534 28.087 -1.695 1.00 0.00 WAT1 ATOM 4719 H1 TIP3 1071 1.233 27.839 -2.310 1.00 0.00 WAT1 ATOM 4720 H2 TIP3 1071 0.028 28.784 -2.180 1.00 0.00 WAT1 ATOM 4721 OH2 TIP3 1072 -5.144 25.178 3.322 1.00 0.00 WAT1 ATOM 4722 H1 TIP3 1072 -5.638 25.162 2.472 1.00 0.00 WAT1 ATOM 4723 H2 TIP3 1072 -4.994 26.130 3.496 1.00 0.00 WAT1 ATOM 4724 OH2 TIP3 1073 -0.595 18.833 -0.770 1.00 0.00 WAT1 ATOM 4725 H1 TIP3 1073 0.158 18.240 -0.674 1.00 0.00 WAT1 ATOM 4726 H2 TIP3 1073 -0.199 19.738 -0.699 1.00 0.00 WAT1 ATOM 4727 OH2 TIP3 1074 -1.729 17.782 1.508 1.00 0.00 WAT1 ATOM 4728 H1 TIP3 1074 -1.529 16.866 1.230 1.00 0.00 WAT1 ATOM 4729 H2 TIP3 1074 -1.499 18.321 0.724 1.00 0.00 WAT1 ATOM 4730 OH2 TIP3 1075 1.553 16.687 3.376 1.00 0.00 WAT1 ATOM 4731 H1 TIP3 1075 2.312 16.313 3.872 1.00 0.00 WAT1 ATOM 4732 H2 TIP3 1075 1.406 17.566 3.791 1.00 0.00 WAT1 ATOM 4733 OH2 TIP3 1076 -6.407 29.535 -13.322 1.00 0.00 WAT1 ATOM 4734 H1 TIP3 1076 -7.291 29.122 -13.202 1.00 0.00 WAT1 ATOM 4735 H2 TIP3 1076 -6.306 29.596 -14.289 1.00 0.00 WAT1 ATOM 4736 OH2 TIP3 1077 -8.470 33.769 -7.849 1.00 0.00 WAT1 ATOM 4737 H1 TIP3 1077 -8.131 33.515 -8.727 1.00 0.00 WAT1 ATOM 4738 H2 TIP3 1077 -9.418 33.976 -8.016 1.00 0.00 WAT1 ATOM 4739 OH2 TIP3 1078 -7.029 30.417 -10.724 1.00 0.00 WAT1 ATOM 4740 H1 TIP3 1078 -7.988 30.162 -10.757 1.00 0.00 WAT1 ATOM 4741 H2 TIP3 1078 -6.673 30.109 -11.581 1.00 0.00 WAT1 ATOM 4742 OH2 TIP3 1079 -7.996 30.797 1.441 1.00 0.00 WAT1 ATOM 4743 H1 TIP3 1079 -8.427 31.399 2.073 1.00 0.00 WAT1 ATOM 4744 H2 TIP3 1079 -7.365 31.368 0.960 1.00 0.00 WAT1 ATOM 4745 OH2 TIP3 1080 -4.207 33.042 -4.307 1.00 0.00 WAT1 ATOM 4746 H1 TIP3 1080 -3.592 33.744 -4.610 1.00 0.00 WAT1 ATOM 4747 H2 TIP3 1080 -4.295 32.454 -5.082 1.00 0.00 WAT1 ATOM 4748 OH2 TIP3 1081 -7.216 34.899 -1.410 1.00 0.00 WAT1 ATOM 4749 H1 TIP3 1081 -8.039 35.383 -1.220 1.00 0.00 WAT1 ATOM 4750 H2 TIP3 1081 -6.620 35.581 -1.805 1.00 0.00 WAT1 ATOM 4751 OH2 TIP3 1082 -2.775 35.172 -5.216 1.00 0.00 WAT1 ATOM 4752 H1 TIP3 1082 -3.028 35.604 -4.376 1.00 0.00 WAT1 ATOM 4753 H2 TIP3 1082 -2.186 35.819 -5.643 1.00 0.00 WAT1 ATOM 4754 OH2 TIP3 1083 -12.406 34.921 0.124 1.00 0.00 WAT1 ATOM 4755 H1 TIP3 1083 -12.154 34.691 1.035 1.00 0.00 WAT1 ATOM 4756 H2 TIP3 1083 -11.590 35.277 -0.270 1.00 0.00 WAT1 ATOM 4757 OH2 TIP3 1084 -6.875 33.659 -3.876 1.00 0.00 WAT1 ATOM 4758 H1 TIP3 1084 -7.026 34.078 -3.000 1.00 0.00 WAT1 ATOM 4759 H2 TIP3 1084 -5.907 33.485 -3.893 1.00 0.00 WAT1 ATOM 4760 OH2 TIP3 1085 1.617 21.177 -6.324 1.00 0.00 WAT1 ATOM 4761 H1 TIP3 1085 0.776 20.748 -6.048 1.00 0.00 WAT1 ATOM 4762 H2 TIP3 1085 1.743 21.882 -5.686 1.00 0.00 WAT1 ATOM 4763 OH2 TIP3 1086 -3.451 23.714 -6.090 1.00 0.00 WAT1 ATOM 4764 H1 TIP3 1086 -2.875 22.942 -6.114 1.00 0.00 WAT1 ATOM 4765 H2 TIP3 1086 -3.127 24.279 -6.821 1.00 0.00 WAT1 ATOM 4766 OH2 TIP3 1087 -1.641 16.761 -7.187 1.00 0.00 WAT1 ATOM 4767 H1 TIP3 1087 -2.184 17.556 -6.993 1.00 0.00 WAT1 ATOM 4768 H2 TIP3 1087 -1.910 16.502 -8.073 1.00 0.00 WAT1 ATOM 4769 OH2 TIP3 1088 -9.102 35.395 -11.328 1.00 0.00 WAT1 ATOM 4770 H1 TIP3 1088 -9.893 35.099 -11.825 1.00 0.00 WAT1 ATOM 4771 H2 TIP3 1088 -8.796 34.583 -10.871 1.00 0.00 WAT1 ATOM 4772 OH2 TIP3 1089 -2.034 24.275 -12.700 1.00 0.00 WAT1 ATOM 4773 H1 TIP3 1089 -2.060 23.852 -11.831 1.00 0.00 WAT1 ATOM 4774 H2 TIP3 1089 -2.179 23.537 -13.327 1.00 0.00 WAT1 ATOM 4775 OH2 TIP3 1090 -0.254 20.135 -14.305 1.00 0.00 WAT1 ATOM 4776 H1 TIP3 1090 0.214 20.421 -13.479 1.00 0.00 WAT1 ATOM 4777 H2 TIP3 1090 0.427 20.174 -14.985 1.00 0.00 WAT1 ATOM 4778 OH2 TIP3 1091 -4.308 20.658 -2.170 1.00 0.00 WAT1 ATOM 4779 H1 TIP3 1091 -5.252 20.765 -1.927 1.00 0.00 WAT1 ATOM 4780 H2 TIP3 1091 -3.905 21.500 -1.940 1.00 0.00 WAT1 ATOM 4781 OH2 TIP3 1092 -2.537 19.223 3.641 1.00 0.00 WAT1 ATOM 4782 H1 TIP3 1092 -1.939 19.974 3.554 1.00 0.00 WAT1 ATOM 4783 H2 TIP3 1092 -2.349 18.671 2.839 1.00 0.00 WAT1 ATOM 4784 OH2 TIP3 1093 -6.952 33.518 -13.563 1.00 0.00 WAT1 ATOM 4785 H1 TIP3 1093 -7.219 32.906 -12.868 1.00 0.00 WAT1 ATOM 4786 H2 TIP3 1093 -6.632 34.306 -13.076 1.00 0.00 WAT1 ATOM 4787 OH2 TIP3 1094 1.317 24.275 7.930 1.00 0.00 WAT1 ATOM 4788 H1 TIP3 1094 0.679 24.662 8.574 1.00 0.00 WAT1 ATOM 4789 H2 TIP3 1094 1.242 24.842 7.157 1.00 0.00 WAT1 ATOM 4790 OH2 TIP3 1095 -5.603 29.132 13.689 1.00 0.00 WAT1 ATOM 4791 H1 TIP3 1095 -5.654 28.217 13.349 1.00 0.00 WAT1 ATOM 4792 H2 TIP3 1095 -4.734 29.465 13.361 1.00 0.00 WAT1 ATOM 4793 OH2 TIP3 1096 -6.873 23.835 5.058 1.00 0.00 WAT1 ATOM 4794 H1 TIP3 1096 -7.770 24.132 4.805 1.00 0.00 WAT1 ATOM 4795 H2 TIP3 1096 -6.282 24.275 4.408 1.00 0.00 WAT1 ATOM 4796 OH2 TIP3 1097 -2.500 27.693 5.809 1.00 0.00 WAT1 ATOM 4797 H1 TIP3 1097 -2.499 27.101 6.571 1.00 0.00 WAT1 ATOM 4798 H2 TIP3 1097 -2.481 28.599 6.207 1.00 0.00 WAT1 ATOM 4799 OH2 TIP3 1098 4.213 20.727 12.397 1.00 0.00 WAT1 ATOM 4800 H1 TIP3 1098 3.950 19.820 12.608 1.00 0.00 WAT1 ATOM 4801 H2 TIP3 1098 3.882 20.867 11.487 1.00 0.00 WAT1 ATOM 4802 OH2 TIP3 1099 3.348 20.774 9.738 1.00 0.00 WAT1 ATOM 4803 H1 TIP3 1099 2.667 20.140 9.423 1.00 0.00 WAT1 ATOM 4804 H2 TIP3 1099 4.181 20.393 9.431 1.00 0.00 WAT1 ATOM 4805 OH2 TIP3 1100 -2.641 23.612 14.717 1.00 0.00 WAT1 ATOM 4806 H1 TIP3 1100 -1.795 23.438 14.286 1.00 0.00 WAT1 ATOM 4807 H2 TIP3 1100 -3.158 24.107 14.042 1.00 0.00 WAT1 ATOM 4808 OH2 TIP3 1101 -0.223 25.501 9.822 1.00 0.00 WAT1 ATOM 4809 H1 TIP3 1101 0.462 25.751 10.472 1.00 0.00 WAT1 ATOM 4810 H2 TIP3 1101 -1.038 25.472 10.342 1.00 0.00 WAT1 ATOM 4811 OH2 TIP3 1102 -0.575 30.080 12.473 1.00 0.00 WAT1 ATOM 4812 H1 TIP3 1102 0.050 29.362 12.722 1.00 0.00 WAT1 ATOM 4813 H2 TIP3 1102 -0.072 30.627 11.865 1.00 0.00 WAT1 ATOM 4814 OH2 TIP3 1103 6.509 17.621 10.236 1.00 0.00 WAT1 ATOM 4815 H1 TIP3 1103 6.877 18.384 10.725 1.00 0.00 WAT1 ATOM 4816 H2 TIP3 1103 5.541 17.703 10.367 1.00 0.00 WAT1 ATOM 4817 OH2 TIP3 1104 -8.533 30.731 5.422 1.00 0.00 WAT1 ATOM 4818 H1 TIP3 1104 -7.727 30.189 5.286 1.00 0.00 WAT1 ATOM 4819 H2 TIP3 1104 -9.045 30.234 6.066 1.00 0.00 WAT1 ATOM 4820 OH2 TIP3 1105 -3.307 30.310 12.755 1.00 0.00 WAT1 ATOM 4821 H1 TIP3 1105 -2.352 30.076 12.749 1.00 0.00 WAT1 ATOM 4822 H2 TIP3 1105 -3.315 31.259 12.616 1.00 0.00 WAT1 ATOM 4823 OH2 TIP3 1106 -2.630 27.381 18.960 1.00 0.00 WAT1 ATOM 4824 H1 TIP3 1106 -3.287 27.862 19.493 1.00 0.00 WAT1 ATOM 4825 H2 TIP3 1106 -2.872 27.593 18.038 1.00 0.00 WAT1 ATOM 4826 OH2 TIP3 1107 -2.514 30.226 6.733 1.00 0.00 WAT1 ATOM 4827 H1 TIP3 1107 -1.778 30.823 6.570 1.00 0.00 WAT1 ATOM 4828 H2 TIP3 1107 -3.302 30.719 6.411 1.00 0.00 WAT1 ATOM 4829 OH2 TIP3 1108 -5.643 28.848 16.474 1.00 0.00 WAT1 ATOM 4830 H1 TIP3 1108 -5.785 29.117 15.542 1.00 0.00 WAT1 ATOM 4831 H2 TIP3 1108 -4.759 28.418 16.462 1.00 0.00 WAT1 ATOM 4832 OH2 TIP3 1109 -10.311 37.742 15.145 1.00 0.00 WAT1 ATOM 4833 H1 TIP3 1109 -11.008 38.422 14.997 1.00 0.00 WAT1 ATOM 4834 H2 TIP3 1109 -10.137 37.386 14.267 1.00 0.00 WAT1 ATOM 4835 OH2 TIP3 1110 0.052 17.286 18.586 1.00 0.00 WAT1 ATOM 4836 H1 TIP3 1110 -0.721 17.766 18.962 1.00 0.00 WAT1 ATOM 4837 H2 TIP3 1110 0.813 17.798 18.885 1.00 0.00 WAT1 ATOM 4838 OH2 TIP3 1111 1.627 25.279 17.214 1.00 0.00 WAT1 ATOM 4839 H1 TIP3 1111 2.013 24.669 17.878 1.00 0.00 WAT1 ATOM 4840 H2 TIP3 1111 1.327 24.690 16.497 1.00 0.00 WAT1 ATOM 4841 OH2 TIP3 1112 -6.597 26.610 12.848 1.00 0.00 WAT1 ATOM 4842 H1 TIP3 1112 -7.474 27.041 12.954 1.00 0.00 WAT1 ATOM 4843 H2 TIP3 1112 -6.755 25.693 13.095 1.00 0.00 WAT1 ATOM 4844 OH2 TIP3 1113 -1.553 26.558 12.312 1.00 0.00 WAT1 ATOM 4845 H1 TIP3 1113 -1.367 26.450 13.269 1.00 0.00 WAT1 ATOM 4846 H2 TIP3 1113 -1.076 27.363 12.069 1.00 0.00 WAT1 ATOM 4847 OH2 TIP3 1114 1.969 21.423 5.933 1.00 0.00 WAT1 ATOM 4848 H1 TIP3 1114 1.039 21.601 6.156 1.00 0.00 WAT1 ATOM 4849 H2 TIP3 1114 2.456 22.127 6.375 1.00 0.00 WAT1 ATOM 4850 OH2 TIP3 1115 1.126 28.004 12.881 1.00 0.00 WAT1 ATOM 4851 H1 TIP3 1115 1.470 27.246 12.361 1.00 0.00 WAT1 ATOM 4852 H2 TIP3 1115 1.379 27.795 13.803 1.00 0.00 WAT1 ATOM 4853 OH2 TIP3 1116 6.880 19.873 11.890 1.00 0.00 WAT1 ATOM 4854 H1 TIP3 1116 7.491 20.224 12.545 1.00 0.00 WAT1 ATOM 4855 H2 TIP3 1116 6.018 20.271 12.126 1.00 0.00 WAT1 ATOM 4856 OH2 TIP3 1117 1.323 18.849 5.136 1.00 0.00 WAT1 ATOM 4857 H1 TIP3 1117 1.826 19.692 5.151 1.00 0.00 WAT1 ATOM 4858 H2 TIP3 1117 0.607 18.994 5.791 1.00 0.00 WAT1 ATOM 4859 OH2 TIP3 1118 -6.801 21.217 6.015 1.00 0.00 WAT1 ATOM 4860 H1 TIP3 1118 -6.118 20.796 5.452 1.00 0.00 WAT1 ATOM 4861 H2 TIP3 1118 -6.803 22.152 5.728 1.00 0.00 WAT1 ATOM 4862 OH2 TIP3 1119 1.612 27.460 15.567 1.00 0.00 WAT1 ATOM 4863 H1 TIP3 1119 2.164 28.168 15.918 1.00 0.00 WAT1 ATOM 4864 H2 TIP3 1119 1.712 26.729 16.220 1.00 0.00 WAT1 ATOM 4865 OH2 TIP3 1120 -3.916 25.252 12.874 1.00 0.00 WAT1 ATOM 4866 H1 TIP3 1120 -4.648 25.840 12.634 1.00 0.00 WAT1 ATOM 4867 H2 TIP3 1120 -3.116 25.724 12.555 1.00 0.00 WAT1 ATOM 4868 OH2 TIP3 1121 -0.846 21.775 5.497 1.00 0.00 WAT1 ATOM 4869 H1 TIP3 1121 -0.374 22.042 4.700 1.00 0.00 WAT1 ATOM 4870 H2 TIP3 1121 -1.627 22.378 5.524 1.00 0.00 WAT1 ATOM 4871 OH2 TIP3 1122 3.808 17.936 10.779 1.00 0.00 WAT1 ATOM 4872 H1 TIP3 1122 3.550 17.082 11.175 1.00 0.00 WAT1 ATOM 4873 H2 TIP3 1122 3.055 18.169 10.205 1.00 0.00 WAT1 ATOM 4874 OH2 TIP3 1123 -2.893 23.548 5.077 1.00 0.00 WAT1 ATOM 4875 H1 TIP3 1123 -3.474 23.759 5.841 1.00 0.00 WAT1 ATOM 4876 H2 TIP3 1123 -3.271 24.056 4.348 1.00 0.00 WAT1 ATOM 4877 OH2 TIP3 1124 -5.042 28.863 20.048 1.00 0.00 WAT1 ATOM 4878 H1 TIP3 1124 -5.021 29.160 20.985 1.00 0.00 WAT1 ATOM 4879 H2 TIP3 1124 -5.739 29.415 19.639 1.00 0.00 WAT1 ATOM 4880 OH2 TIP3 1125 1.868 25.636 11.676 1.00 0.00 WAT1 ATOM 4881 H1 TIP3 1125 2.321 25.116 10.983 1.00 0.00 WAT1 ATOM 4882 H2 TIP3 1125 1.935 25.077 12.467 1.00 0.00 WAT1 ATOM 4883 OH2 TIP3 1126 -5.807 26.776 18.428 1.00 0.00 WAT1 ATOM 4884 H1 TIP3 1126 -5.605 27.357 19.189 1.00 0.00 WAT1 ATOM 4885 H2 TIP3 1126 -5.929 27.395 17.685 1.00 0.00 WAT1 ATOM 4886 OH2 TIP3 1127 -0.906 25.224 18.563 1.00 0.00 WAT1 ATOM 4887 H1 TIP3 1127 -1.373 26.040 18.859 1.00 0.00 WAT1 ATOM 4888 H2 TIP3 1127 -0.033 25.542 18.266 1.00 0.00 WAT1 ATOM 4889 OH2 TIP3 1128 0.430 26.426 2.751 1.00 0.00 WAT1 ATOM 4890 H1 TIP3 1128 0.191 27.141 2.122 1.00 0.00 WAT1 ATOM 4891 H2 TIP3 1128 0.062 25.629 2.355 1.00 0.00 WAT1 ATOM 4892 OH2 TIP3 1129 0.004 28.415 4.612 1.00 0.00 WAT1 ATOM 4893 H1 TIP3 1129 0.274 27.654 4.057 1.00 0.00 WAT1 ATOM 4894 H2 TIP3 1129 -0.834 28.129 5.016 1.00 0.00 WAT1 ATOM 4895 OH2 TIP3 1130 2.458 23.123 12.938 1.00 0.00 WAT1 ATOM 4896 H1 TIP3 1130 3.129 22.449 13.144 1.00 0.00 WAT1 ATOM 4897 H2 TIP3 1130 2.473 23.182 11.959 1.00 0.00 WAT1 ATOM 4898 OH2 TIP3 1131 1.837 18.654 8.785 1.00 0.00 WAT1 ATOM 4899 H1 TIP3 1131 1.059 19.080 8.364 1.00 0.00 WAT1 ATOM 4900 H2 TIP3 1131 2.005 17.875 8.232 1.00 0.00 WAT1 ATOM 4901 OH2 TIP3 1132 2.652 23.391 10.179 1.00 0.00 WAT1 ATOM 4902 H1 TIP3 1132 2.256 23.682 9.328 1.00 0.00 WAT1 ATOM 4903 H2 TIP3 1132 2.952 22.473 9.999 1.00 0.00 WAT1 ATOM 4904 OH2 TIP3 1133 0.545 23.880 14.839 1.00 0.00 WAT1 ATOM 4905 H1 TIP3 1133 1.167 23.629 14.121 1.00 0.00 WAT1 ATOM 4906 H2 TIP3 1133 0.613 23.140 15.483 1.00 0.00 WAT1 ATOM 4907 OH2 TIP3 1134 -2.119 17.527 7.866 1.00 0.00 WAT1 ATOM 4908 H1 TIP3 1134 -3.073 17.590 7.986 1.00 0.00 WAT1 ATOM 4909 H2 TIP3 1134 -2.012 17.240 6.931 1.00 0.00 WAT1 ATOM 4910 OH2 TIP3 1135 -4.344 27.871 3.785 1.00 0.00 WAT1 ATOM 4911 H1 TIP3 1135 -3.653 27.781 4.485 1.00 0.00 WAT1 ATOM 4912 H2 TIP3 1135 -3.846 27.757 2.942 1.00 0.00 WAT1 ATOM 4913 OH2 TIP3 1136 -4.702 31.367 5.611 1.00 0.00 WAT1 ATOM 4914 H1 TIP3 1136 -5.157 32.236 5.716 1.00 0.00 WAT1 ATOM 4915 H2 TIP3 1136 -5.431 30.729 5.490 1.00 0.00 WAT1 ATOM 4916 OH2 TIP3 1137 -5.564 29.564 22.577 1.00 0.00 WAT1 ATOM 4917 H1 TIP3 1137 -6.366 30.053 22.272 1.00 0.00 WAT1 ATOM 4918 H2 TIP3 1137 -5.240 30.080 23.320 1.00 0.00 WAT1 ATOM 4919 OH2 TIP3 1138 -3.165 30.502 3.452 1.00 0.00 WAT1 ATOM 4920 H1 TIP3 1138 -3.571 31.015 4.176 1.00 0.00 WAT1 ATOM 4921 H2 TIP3 1138 -3.723 29.715 3.381 1.00 0.00 WAT1 ATOM 4922 OH2 TIP3 1139 -6.661 26.939 22.278 1.00 0.00 WAT1 ATOM 4923 H1 TIP3 1139 -7.543 27.343 22.155 1.00 0.00 WAT1 ATOM 4924 H2 TIP3 1139 -6.069 27.700 22.415 1.00 0.00 WAT1 ATOM 4925 OH2 TIP3 1140 -3.320 27.288 16.250 1.00 0.00 WAT1 ATOM 4926 H1 TIP3 1140 -3.494 26.367 16.527 1.00 0.00 WAT1 ATOM 4927 H2 TIP3 1140 -2.542 27.213 15.665 1.00 0.00 WAT1 ATOM 4928 OH2 TIP3 1141 0.906 30.644 3.324 1.00 0.00 WAT1 ATOM 4929 H1 TIP3 1141 0.568 29.883 3.851 1.00 0.00 WAT1 ATOM 4930 H2 TIP3 1141 1.777 30.812 3.687 1.00 0.00 WAT1 ATOM 4931 OH2 TIP3 1142 -0.908 26.318 14.987 1.00 0.00 WAT1 ATOM 4932 H1 TIP3 1142 -0.576 25.397 14.986 1.00 0.00 WAT1 ATOM 4933 H2 TIP3 1142 -0.122 26.852 15.216 1.00 0.00 WAT1 ATOM 4934 OH2 TIP3 1143 -0.929 22.507 18.875 1.00 0.00 WAT1 ATOM 4935 H1 TIP3 1143 -0.378 22.345 19.674 1.00 0.00 WAT1 ATOM 4936 H2 TIP3 1143 -0.993 23.489 18.826 1.00 0.00 WAT1 ATOM 4937 OH2 TIP3 1144 1.035 22.255 16.953 1.00 0.00 WAT1 ATOM 4938 H1 TIP3 1144 0.237 22.167 17.510 1.00 0.00 WAT1 ATOM 4939 H2 TIP3 1144 1.740 22.491 17.587 1.00 0.00 WAT1 ATOM 4940 OH2 TIP3 1145 -2.991 20.980 18.012 1.00 0.00 WAT1 ATOM 4941 H1 TIP3 1145 -2.741 20.777 17.084 1.00 0.00 WAT1 ATOM 4942 H2 TIP3 1145 -2.289 21.603 18.318 1.00 0.00 WAT1 ATOM 4943 OH2 TIP3 1146 0.843 22.105 20.925 1.00 0.00 WAT1 ATOM 4944 H1 TIP3 1146 0.410 21.283 21.253 1.00 0.00 WAT1 ATOM 4945 H2 TIP3 1146 1.506 22.321 21.622 1.00 0.00 WAT1 ATOM 4946 OH2 TIP3 1147 -6.304 29.088 5.383 1.00 0.00 WAT1 ATOM 4947 H1 TIP3 1147 -6.120 28.510 6.132 1.00 0.00 WAT1 ATOM 4948 H2 TIP3 1147 -5.755 28.720 4.656 1.00 0.00 WAT1 ATOM 4949 OH2 TIP3 1148 -7.912 30.189 12.720 1.00 0.00 WAT1 ATOM 4950 H1 TIP3 1148 -7.536 30.502 11.892 1.00 0.00 WAT1 ATOM 4951 H2 TIP3 1148 -7.135 29.852 13.225 1.00 0.00 WAT1 ATOM 4952 OH2 TIP3 1149 -8.369 18.974 6.359 1.00 0.00 WAT1 ATOM 4953 H1 TIP3 1149 -8.753 18.976 7.241 1.00 0.00 WAT1 ATOM 4954 H2 TIP3 1149 -7.863 19.820 6.315 1.00 0.00 WAT1 ATOM 4955 OH2 TIP3 1150 -7.029 18.151 4.103 1.00 0.00 WAT1 ATOM 4956 H1 TIP3 1150 -6.305 18.796 4.152 1.00 0.00 WAT1 ATOM 4957 H2 TIP3 1150 -7.569 18.337 4.894 1.00 0.00 WAT1 ATOM 4958 OH2 TIP3 1151 3.162 15.200 11.242 1.00 0.00 WAT1 ATOM 4959 H1 TIP3 1151 4.050 14.792 11.238 1.00 0.00 WAT1 ATOM 4960 H2 TIP3 1151 2.941 15.283 10.292 1.00 0.00 WAT1 ATOM 4961 OH2 TIP3 1152 -8.987 35.007 4.612 1.00 0.00 WAT1 ATOM 4962 H1 TIP3 1152 -8.587 35.191 5.484 1.00 0.00 WAT1 ATOM 4963 H2 TIP3 1152 -9.955 35.080 4.772 1.00 0.00 WAT1 ATOM 4964 OH2 TIP3 1153 -5.060 20.126 4.198 1.00 0.00 WAT1 ATOM 4965 H1 TIP3 1153 -4.178 19.693 4.147 1.00 0.00 WAT1 ATOM 4966 H2 TIP3 1153 -5.076 20.715 3.437 1.00 0.00 WAT1 ATOM 4967 OH2 TIP3 1154 1.818 16.517 6.549 1.00 0.00 WAT1 ATOM 4968 H1 TIP3 1154 1.657 17.363 6.079 1.00 0.00 WAT1 ATOM 4969 H2 TIP3 1154 2.428 16.025 5.951 1.00 0.00 WAT1 ATOM 4970 OH2 TIP3 1155 -2.032 18.810 19.533 1.00 0.00 WAT1 ATOM 4971 H1 TIP3 1155 -2.339 19.563 18.987 1.00 0.00 WAT1 ATOM 4972 H2 TIP3 1155 -2.841 18.281 19.686 1.00 0.00 WAT1 ATOM 4973 OH2 TIP3 1156 -6.040 33.722 5.816 1.00 0.00 WAT1 ATOM 4974 H1 TIP3 1156 -6.028 34.188 4.974 1.00 0.00 WAT1 ATOM 4975 H2 TIP3 1156 -6.705 34.199 6.346 1.00 0.00 WAT1 ATOM 4976 OH2 TIP3 1157 -0.567 19.844 21.610 1.00 0.00 WAT1 ATOM 4977 H1 TIP3 1157 -1.039 19.484 20.829 1.00 0.00 WAT1 ATOM 4978 H2 TIP3 1157 -0.815 19.253 22.328 1.00 0.00 WAT1 ATOM 4979 OH2 TIP3 1158 -7.275 21.608 22.096 1.00 0.00 WAT1 ATOM 4980 H1 TIP3 1158 -7.522 22.386 22.660 1.00 0.00 WAT1 ATOM 4981 H2 TIP3 1158 -7.627 20.851 22.575 1.00 0.00 WAT1 ATOM 4982 OH2 TIP3 1159 0.890 22.740 24.765 1.00 0.00 WAT1 ATOM 4983 H1 TIP3 1159 0.856 22.630 25.721 1.00 0.00 WAT1 ATOM 4984 H2 TIP3 1159 -0.008 22.993 24.522 1.00 0.00 WAT1 ATOM 4985 OH2 TIP3 1160 -7.447 24.954 20.613 1.00 0.00 WAT1 ATOM 4986 H1 TIP3 1160 -6.882 25.586 21.115 1.00 0.00 WAT1 ATOM 4987 H2 TIP3 1160 -8.330 25.053 21.030 1.00 0.00 WAT1 ATOM 4988 OH2 TIP3 1161 2.736 22.713 22.764 1.00 0.00 WAT1 ATOM 4989 H1 TIP3 1161 2.117 22.755 23.529 1.00 0.00 WAT1 ATOM 4990 H2 TIP3 1161 3.608 22.739 23.165 1.00 0.00 WAT1 ATOM 4991 OH2 TIP3 1162 -8.523 22.564 19.776 1.00 0.00 WAT1 ATOM 4992 H1 TIP3 1162 -8.184 22.049 20.532 1.00 0.00 WAT1 ATOM 4993 H2 TIP3 1162 -8.245 23.481 19.972 1.00 0.00 WAT1 ATOM 4994 OH2 TIP3 1163 -3.168 24.670 17.152 1.00 0.00 WAT1 ATOM 4995 H1 TIP3 1163 -2.926 24.233 16.298 1.00 0.00 WAT1 ATOM 4996 H2 TIP3 1163 -2.305 24.840 17.588 1.00 0.00 WAT1 ATOM 4997 OH2 TIP3 1164 -4.477 17.471 19.960 1.00 0.00 WAT1 ATOM 4998 H1 TIP3 1164 -5.235 16.845 19.924 1.00 0.00 WAT1 ATOM 4999 H2 TIP3 1164 -4.794 18.253 19.452 1.00 0.00 WAT1 ATOM 5000 OH2 TIP3 1165 -5.033 22.072 20.601 1.00 0.00 WAT1 ATOM 5001 H1 TIP3 1165 -5.830 21.945 21.165 1.00 0.00 WAT1 ATOM 5002 H2 TIP3 1165 -4.337 21.590 21.062 1.00 0.00 WAT1 ATOM 5003 OH2 TIP3 1166 -10.176 39.701 -15.566 1.00 0.00 WAT1 ATOM 5004 H1 TIP3 1166 -10.937 39.088 -15.573 1.00 0.00 WAT1 ATOM 5005 H2 TIP3 1166 -9.526 39.273 -16.141 1.00 0.00 WAT1 ATOM 5006 OH2 TIP3 1167 -9.164 41.684 -13.804 1.00 0.00 WAT1 ATOM 5007 H1 TIP3 1167 -9.565 40.974 -14.350 1.00 0.00 WAT1 ATOM 5008 H2 TIP3 1167 -8.344 41.928 -14.294 1.00 0.00 WAT1 ATOM 5009 OH2 TIP3 1168 -9.824 35.871 -23.100 1.00 0.00 WAT1 ATOM 5010 H1 TIP3 1168 -10.600 35.441 -23.487 1.00 0.00 WAT1 ATOM 5011 H2 TIP3 1168 -9.463 36.413 -23.831 1.00 0.00 WAT1 ATOM 5012 OH2 TIP3 1169 -9.858 38.336 -18.329 1.00 0.00 WAT1 ATOM 5013 H1 TIP3 1169 -9.828 37.577 -17.703 1.00 0.00 WAT1 ATOM 5014 H2 TIP3 1169 -9.903 37.909 -19.214 1.00 0.00 WAT1 ATOM 5015 OH2 TIP3 1170 -9.069 43.913 -5.380 1.00 0.00 WAT1 ATOM 5016 H1 TIP3 1170 -8.896 44.519 -4.627 1.00 0.00 WAT1 ATOM 5017 H2 TIP3 1170 -9.252 43.049 -4.951 1.00 0.00 WAT1 ATOM 5018 OH2 TIP3 1171 -7.636 43.413 -9.797 1.00 0.00 WAT1 ATOM 5019 H1 TIP3 1171 -7.871 42.552 -10.214 1.00 0.00 WAT1 ATOM 5020 H2 TIP3 1171 -6.875 43.717 -10.304 1.00 0.00 WAT1 ATOM 5021 OH2 TIP3 1172 -1.791 37.843 -5.521 1.00 0.00 WAT1 ATOM 5022 H1 TIP3 1172 -1.064 38.266 -5.988 1.00 0.00 WAT1 ATOM 5023 H2 TIP3 1172 -2.605 38.234 -5.936 1.00 0.00 WAT1 ATOM 5024 OH2 TIP3 1173 -8.362 41.156 -11.212 1.00 0.00 WAT1 ATOM 5025 H1 TIP3 1173 -8.366 40.169 -11.163 1.00 0.00 WAT1 ATOM 5026 H2 TIP3 1173 -8.572 41.349 -12.152 1.00 0.00 WAT1 ATOM 5027 OH2 TIP3 1174 -4.823 41.488 -6.836 1.00 0.00 WAT1 ATOM 5028 H1 TIP3 1174 -4.200 42.217 -6.850 1.00 0.00 WAT1 ATOM 5029 H2 TIP3 1174 -5.704 41.927 -6.877 1.00 0.00 WAT1 ATOM 5030 OH2 TIP3 1175 -6.047 37.866 -10.090 1.00 0.00 WAT1 ATOM 5031 H1 TIP3 1175 -5.326 38.504 -10.107 1.00 0.00 WAT1 ATOM 5032 H2 TIP3 1175 -6.144 37.640 -9.134 1.00 0.00 WAT1 ATOM 5033 OH2 TIP3 1176 -3.022 37.083 -3.187 1.00 0.00 WAT1 ATOM 5034 H1 TIP3 1176 -2.413 37.215 -2.452 1.00 0.00 WAT1 ATOM 5035 H2 TIP3 1176 -2.573 37.509 -3.952 1.00 0.00 WAT1 ATOM 5036 OH2 TIP3 1177 -7.031 43.080 -7.091 1.00 0.00 WAT1 ATOM 5037 H1 TIP3 1177 -7.328 43.269 -8.001 1.00 0.00 WAT1 ATOM 5038 H2 TIP3 1177 -7.758 43.412 -6.527 1.00 0.00 WAT1 ATOM 5039 OH2 TIP3 1178 -4.000 38.895 -6.637 1.00 0.00 WAT1 ATOM 5040 H1 TIP3 1178 -4.305 39.828 -6.693 1.00 0.00 WAT1 ATOM 5041 H2 TIP3 1178 -4.785 38.373 -6.900 1.00 0.00 WAT1 ATOM 5042 OH2 TIP3 1179 -8.635 45.375 -3.094 1.00 0.00 WAT1 ATOM 5043 H1 TIP3 1179 -8.132 46.133 -2.777 1.00 0.00 WAT1 ATOM 5044 H2 TIP3 1179 -8.121 44.594 -2.778 1.00 0.00 WAT1 ATOM 5045 OH2 TIP3 1180 -8.541 38.421 -11.099 1.00 0.00 WAT1 ATOM 5046 H1 TIP3 1180 -8.920 37.542 -11.272 1.00 0.00 WAT1 ATOM 5047 H2 TIP3 1180 -7.663 38.229 -10.707 1.00 0.00 WAT1 ATOM 5048 OH2 TIP3 1181 -6.046 37.234 -7.444 1.00 0.00 WAT1 ATOM 5049 H1 TIP3 1181 -5.378 36.511 -7.519 1.00 0.00 WAT1 ATOM 5050 H2 TIP3 1181 -6.731 36.859 -6.847 1.00 0.00 WAT1 ATOM 5051 OH2 TIP3 1182 -7.473 35.527 -5.846 1.00 0.00 WAT1 ATOM 5052 H1 TIP3 1182 -7.827 34.974 -6.571 1.00 0.00 WAT1 ATOM 5053 H2 TIP3 1182 -7.262 34.888 -5.138 1.00 0.00 WAT1 ATOM 5054 OH2 TIP3 1183 -6.920 42.263 -15.255 1.00 0.00 WAT1 ATOM 5055 H1 TIP3 1183 -6.804 43.139 -15.635 1.00 0.00 WAT1 ATOM 5056 H2 TIP3 1183 -6.324 41.702 -15.760 1.00 0.00 WAT1 ATOM 5057 OH2 TIP3 1184 -7.318 43.031 -2.679 1.00 0.00 WAT1 ATOM 5058 H1 TIP3 1184 -8.024 42.455 -3.047 1.00 0.00 WAT1 ATOM 5059 H2 TIP3 1184 -6.519 42.501 -2.753 1.00 0.00 WAT1 ATOM 5060 OH2 TIP3 1185 -10.686 41.718 -9.930 1.00 0.00 WAT1 ATOM 5061 H1 TIP3 1185 -11.316 41.558 -10.661 1.00 0.00 WAT1 ATOM 5062 H2 TIP3 1185 -9.814 41.472 -10.309 1.00 0.00 WAT1 ATOM 5063 OH2 TIP3 1186 -5.727 36.557 -2.936 1.00 0.00 WAT1 ATOM 5064 H1 TIP3 1186 -4.774 36.788 -2.967 1.00 0.00 WAT1 ATOM 5065 H2 TIP3 1186 -6.067 36.844 -3.793 1.00 0.00 WAT1 ATOM 5066 OH2 TIP3 1187 -10.169 44.324 -9.252 1.00 0.00 WAT1 ATOM 5067 H1 TIP3 1187 -9.214 44.259 -9.460 1.00 0.00 WAT1 ATOM 5068 H2 TIP3 1187 -10.499 43.406 -9.373 1.00 0.00 WAT1 ATOM 5069 OH2 TIP3 1188 -9.645 38.322 -1.776 1.00 0.00 WAT1 ATOM 5070 H1 TIP3 1188 -10.146 38.613 -2.572 1.00 0.00 WAT1 ATOM 5071 H2 TIP3 1188 -9.461 39.140 -1.304 1.00 0.00 WAT1 ATOM 5072 OH2 TIP3 1189 -10.882 34.026 -9.149 1.00 0.00 WAT1 ATOM 5073 H1 TIP3 1189 -11.053 33.114 -9.468 1.00 0.00 WAT1 ATOM 5074 H2 TIP3 1189 -11.018 34.578 -9.931 1.00 0.00 WAT1 ATOM 5075 OH2 TIP3 1190 -6.379 35.569 -11.701 1.00 0.00 WAT1 ATOM 5076 H1 TIP3 1190 -7.354 35.599 -11.620 1.00 0.00 WAT1 ATOM 5077 H2 TIP3 1190 -6.078 36.370 -11.228 1.00 0.00 WAT1 ATOM 5078 OH2 TIP3 1191 12.915 -3.895 -3.097 1.00 0.00 WAT1 ATOM 5079 H1 TIP3 1191 11.961 -4.095 -3.103 1.00 0.00 WAT1 ATOM 5080 H2 TIP3 1191 13.000 -3.163 -2.452 1.00 0.00 WAT1 ATOM 5081 OH2 TIP3 1192 17.633 -6.278 1.248 1.00 0.00 WAT1 ATOM 5082 H1 TIP3 1192 16.904 -6.082 0.617 1.00 0.00 WAT1 ATOM 5083 H2 TIP3 1192 17.572 -7.241 1.394 1.00 0.00 WAT1 ATOM 5084 OH2 TIP3 1193 12.099 -6.277 -1.272 1.00 0.00 WAT1 ATOM 5085 H1 TIP3 1193 12.883 -6.470 -1.824 1.00 0.00 WAT1 ATOM 5086 H2 TIP3 1193 11.775 -7.165 -0.994 1.00 0.00 WAT1 ATOM 5087 OH2 TIP3 1194 15.700 -1.978 -1.258 1.00 0.00 WAT1 ATOM 5088 H1 TIP3 1194 16.098 -2.813 -0.978 1.00 0.00 WAT1 ATOM 5089 H2 TIP3 1194 16.371 -1.567 -1.813 1.00 0.00 WAT1 ATOM 5090 OH2 TIP3 1195 12.573 -4.304 0.589 1.00 0.00 WAT1 ATOM 5091 H1 TIP3 1195 12.719 -3.509 0.031 1.00 0.00 WAT1 ATOM 5092 H2 TIP3 1195 12.323 -5.003 -0.052 1.00 0.00 WAT1 ATOM 5093 OH2 TIP3 1196 15.482 -5.639 -0.372 1.00 0.00 WAT1 ATOM 5094 H1 TIP3 1196 14.617 -5.479 0.028 1.00 0.00 WAT1 ATOM 5095 H2 TIP3 1196 15.276 -5.885 -1.297 1.00 0.00 WAT1 ATOM 5096 OH2 TIP3 1197 11.020 -8.633 -0.441 1.00 0.00 WAT1 ATOM 5097 H1 TIP3 1197 10.443 -9.280 -0.889 1.00 0.00 WAT1 ATOM 5098 H2 TIP3 1197 11.444 -9.153 0.273 1.00 0.00 WAT1 ATOM 5099 OH2 TIP3 1198 18.066 -9.020 2.065 1.00 0.00 WAT1 ATOM 5100 H1 TIP3 1198 17.477 -9.531 2.671 1.00 0.00 WAT1 ATOM 5101 H2 TIP3 1198 18.454 -9.694 1.495 1.00 0.00 WAT1 ATOM 5102 OH2 TIP3 1199 13.006 -2.102 -0.984 1.00 0.00 WAT1 ATOM 5103 H1 TIP3 1199 13.975 -1.929 -1.064 1.00 0.00 WAT1 ATOM 5104 H2 TIP3 1199 12.628 -1.236 -0.745 1.00 0.00 WAT1 ATOM 5105 OH2 TIP3 1200 18.149 1.225 3.625 1.00 0.00 WAT1 ATOM 5106 H1 TIP3 1200 18.833 1.062 4.306 1.00 0.00 WAT1 ATOM 5107 H2 TIP3 1200 18.026 0.355 3.199 1.00 0.00 WAT1 ATOM 5108 OH2 TIP3 1201 18.556 -4.183 2.748 1.00 0.00 WAT1 ATOM 5109 H1 TIP3 1201 18.387 -4.570 3.622 1.00 0.00 WAT1 ATOM 5110 H2 TIP3 1201 18.222 -4.858 2.116 1.00 0.00 WAT1 ATOM 5111 OH2 TIP3 1202 11.527 -10.367 1.669 1.00 0.00 WAT1 ATOM 5112 H1 TIP3 1202 11.892 -11.046 2.275 1.00 0.00 WAT1 ATOM 5113 H2 TIP3 1202 11.248 -9.641 2.269 1.00 0.00 WAT1 ATOM 5114 OH2 TIP3 1203 22.621 -14.366 2.776 1.00 0.00 WAT1 ATOM 5115 H1 TIP3 1203 23.098 -13.647 2.361 1.00 0.00 WAT1 ATOM 5116 H2 TIP3 1203 22.414 -14.037 3.665 1.00 0.00 WAT1 ATOM 5117 OH2 TIP3 1204 13.710 -12.080 5.857 1.00 0.00 WAT1 ATOM 5118 H1 TIP3 1204 12.969 -11.865 6.471 1.00 0.00 WAT1 ATOM 5119 H2 TIP3 1204 14.337 -12.587 6.409 1.00 0.00 WAT1 ATOM 5120 OH2 TIP3 1205 14.410 -6.139 -2.876 1.00 0.00 WAT1 ATOM 5121 H1 TIP3 1205 14.680 -6.459 -3.744 1.00 0.00 WAT1 ATOM 5122 H2 TIP3 1205 13.970 -5.273 -3.062 1.00 0.00 WAT1 ATOM 5123 OH2 TIP3 1206 12.031 0.366 0.213 1.00 0.00 WAT1 ATOM 5124 H1 TIP3 1206 12.037 1.345 0.066 1.00 0.00 WAT1 ATOM 5125 H2 TIP3 1206 12.765 0.215 0.824 1.00 0.00 WAT1 ATOM 5126 OH2 TIP3 1207 22.351 -9.336 8.984 1.00 0.00 WAT1 ATOM 5127 H1 TIP3 1207 22.628 -10.253 9.234 1.00 0.00 WAT1 ATOM 5128 H2 TIP3 1207 23.103 -8.788 9.229 1.00 0.00 WAT1 ATOM 5129 OH2 TIP3 1208 15.807 -8.155 8.694 1.00 0.00 WAT1 ATOM 5130 H1 TIP3 1208 15.342 -8.506 7.897 1.00 0.00 WAT1 ATOM 5131 H2 TIP3 1208 15.440 -8.679 9.428 1.00 0.00 WAT1 ATOM 5132 OH2 TIP3 1209 11.947 -11.361 7.775 1.00 0.00 WAT1 ATOM 5133 H1 TIP3 1209 12.376 -11.820 8.523 1.00 0.00 WAT1 ATOM 5134 H2 TIP3 1209 11.755 -10.465 8.124 1.00 0.00 WAT1 ATOM 5135 OH2 TIP3 1210 12.711 -8.738 11.411 1.00 0.00 WAT1 ATOM 5136 H1 TIP3 1210 12.559 -9.143 12.272 1.00 0.00 WAT1 ATOM 5137 H2 TIP3 1210 13.492 -9.226 11.050 1.00 0.00 WAT1 ATOM 5138 OH2 TIP3 1211 13.534 -12.707 9.577 1.00 0.00 WAT1 ATOM 5139 H1 TIP3 1211 13.254 -13.495 10.057 1.00 0.00 WAT1 ATOM 5140 H2 TIP3 1211 14.174 -13.046 8.908 1.00 0.00 WAT1 ATOM 5141 OH2 TIP3 1212 24.013 -16.464 11.791 1.00 0.00 WAT1 ATOM 5142 H1 TIP3 1212 23.315 -16.391 11.113 1.00 0.00 WAT1 ATOM 5143 H2 TIP3 1212 24.133 -17.406 11.908 1.00 0.00 WAT1 ATOM 5144 OH2 TIP3 1213 21.387 -9.868 6.459 1.00 0.00 WAT1 ATOM 5145 H1 TIP3 1213 21.439 -9.030 5.941 1.00 0.00 WAT1 ATOM 5146 H2 TIP3 1213 21.828 -9.649 7.307 1.00 0.00 WAT1 ATOM 5147 OH2 TIP3 1214 20.357 -11.883 4.946 1.00 0.00 WAT1 ATOM 5148 H1 TIP3 1214 21.019 -12.594 5.058 1.00 0.00 WAT1 ATOM 5149 H2 TIP3 1214 20.788 -11.092 5.333 1.00 0.00 WAT1 ATOM 5150 OH2 TIP3 1215 21.444 -13.537 8.153 1.00 0.00 WAT1 ATOM 5151 H1 TIP3 1215 20.829 -14.148 8.615 1.00 0.00 WAT1 ATOM 5152 H2 TIP3 1215 20.914 -12.715 8.035 1.00 0.00 WAT1 ATOM 5153 OH2 TIP3 1216 17.265 -10.544 9.767 1.00 0.00 WAT1 ATOM 5154 H1 TIP3 1216 17.102 -10.228 8.871 1.00 0.00 WAT1 ATOM 5155 H2 TIP3 1216 18.122 -10.138 10.010 1.00 0.00 WAT1 ATOM 5156 OH2 TIP3 1217 19.644 -9.170 9.577 1.00 0.00 WAT1 ATOM 5157 H1 TIP3 1217 19.318 -8.292 9.275 1.00 0.00 WAT1 ATOM 5158 H2 TIP3 1217 20.618 -9.105 9.493 1.00 0.00 WAT1 ATOM 5159 OH2 TIP3 1218 19.648 -7.077 3.249 1.00 0.00 WAT1 ATOM 5160 H1 TIP3 1218 19.601 -6.439 2.519 1.00 0.00 WAT1 ATOM 5161 H2 TIP3 1218 19.129 -7.848 2.924 1.00 0.00 WAT1 ATOM 5162 OH2 TIP3 1219 23.135 -11.849 9.573 1.00 0.00 WAT1 ATOM 5163 H1 TIP3 1219 22.666 -12.545 9.072 1.00 0.00 WAT1 ATOM 5164 H2 TIP3 1219 23.625 -12.331 10.247 1.00 0.00 WAT1 ATOM 5165 OH2 TIP3 1220 11.625 -6.238 11.172 1.00 0.00 WAT1 ATOM 5166 H1 TIP3 1220 12.278 -5.682 10.715 1.00 0.00 WAT1 ATOM 5167 H2 TIP3 1220 12.102 -7.078 11.343 1.00 0.00 WAT1 ATOM 5168 OH2 TIP3 1221 12.935 -4.920 8.979 1.00 0.00 WAT1 ATOM 5169 H1 TIP3 1221 12.101 -5.372 8.728 1.00 0.00 WAT1 ATOM 5170 H2 TIP3 1221 12.705 -3.972 8.968 1.00 0.00 WAT1 ATOM 5171 OH2 TIP3 1222 22.129 -16.132 9.764 1.00 0.00 WAT1 ATOM 5172 H1 TIP3 1222 22.510 -15.509 9.138 1.00 0.00 WAT1 ATOM 5173 H2 TIP3 1222 21.169 -16.010 9.667 1.00 0.00 WAT1 ATOM 5174 OH2 TIP3 1223 19.745 -11.405 7.996 1.00 0.00 WAT1 ATOM 5175 H1 TIP3 1223 19.618 -10.736 8.701 1.00 0.00 WAT1 ATOM 5176 H2 TIP3 1223 20.187 -10.906 7.274 1.00 0.00 WAT1 ATOM 5177 OH2 TIP3 1224 16.592 -10.731 3.623 1.00 0.00 WAT1 ATOM 5178 H1 TIP3 1224 16.991 -11.466 4.129 1.00 0.00 WAT1 ATOM 5179 H2 TIP3 1224 15.696 -10.663 3.971 1.00 0.00 WAT1 ATOM 5180 OH2 TIP3 1225 11.719 -14.788 2.846 1.00 0.00 WAT1 ATOM 5181 H1 TIP3 1225 11.260 -15.473 3.344 1.00 0.00 WAT1 ATOM 5182 H2 TIP3 1225 11.996 -15.228 2.035 1.00 0.00 WAT1 ATOM 5183 OH2 TIP3 1226 15.258 -13.626 7.668 1.00 0.00 WAT1 ATOM 5184 H1 TIP3 1226 15.263 -14.497 7.257 1.00 0.00 WAT1 ATOM 5185 H2 TIP3 1226 16.211 -13.417 7.798 1.00 0.00 WAT1 ATOM 5186 OH2 TIP3 1227 19.506 -15.042 9.320 1.00 0.00 WAT1 ATOM 5187 H1 TIP3 1227 19.032 -15.144 10.154 1.00 0.00 WAT1 ATOM 5188 H2 TIP3 1227 18.860 -14.600 8.728 1.00 0.00 WAT1 ATOM 5189 OH2 TIP3 1228 17.902 -12.936 4.826 1.00 0.00 WAT1 ATOM 5190 H1 TIP3 1228 18.037 -13.583 4.125 1.00 0.00 WAT1 ATOM 5191 H2 TIP3 1228 18.763 -12.446 4.869 1.00 0.00 WAT1 ATOM 5192 OH2 TIP3 1229 14.642 -10.282 10.391 1.00 0.00 WAT1 ATOM 5193 H1 TIP3 1229 15.605 -10.483 10.391 1.00 0.00 WAT1 ATOM 5194 H2 TIP3 1229 14.225 -11.117 10.092 1.00 0.00 WAT1 ATOM 5195 OH2 TIP3 1230 21.597 -7.551 5.085 1.00 0.00 WAT1 ATOM 5196 H1 TIP3 1230 22.306 -6.981 4.779 1.00 0.00 WAT1 ATOM 5197 H2 TIP3 1230 20.880 -7.419 4.426 1.00 0.00 WAT1 ATOM 5198 OH2 TIP3 1231 18.299 -6.963 8.635 1.00 0.00 WAT1 ATOM 5199 H1 TIP3 1231 17.482 -7.507 8.640 1.00 0.00 WAT1 ATOM 5200 H2 TIP3 1231 17.978 -6.060 8.749 1.00 0.00 WAT1 ATOM 5201 OH2 TIP3 1232 15.693 -5.378 8.360 1.00 0.00 WAT1 ATOM 5202 H1 TIP3 1232 15.706 -6.354 8.426 1.00 0.00 WAT1 ATOM 5203 H2 TIP3 1232 14.768 -5.139 8.571 1.00 0.00 WAT1 ATOM 5204 OH2 TIP3 1233 18.049 -1.503 3.088 1.00 0.00 WAT1 ATOM 5205 H1 TIP3 1233 18.716 -1.609 3.793 1.00 0.00 WAT1 ATOM 5206 H2 TIP3 1233 18.106 -2.342 2.587 1.00 0.00 WAT1 ATOM 5207 OH2 TIP3 1234 18.503 -5.575 5.287 1.00 0.00 WAT1 ATOM 5208 H1 TIP3 1234 18.898 -6.151 4.599 1.00 0.00 WAT1 ATOM 5209 H2 TIP3 1234 18.560 -6.105 6.095 1.00 0.00 WAT1 ATOM 5210 OH2 TIP3 1235 17.995 -13.421 7.562 1.00 0.00 WAT1 ATOM 5211 H1 TIP3 1235 17.957 -13.358 6.582 1.00 0.00 WAT1 ATOM 5212 H2 TIP3 1235 18.526 -12.634 7.829 1.00 0.00 WAT1 ATOM 5213 OH2 TIP3 1236 17.133 -3.430 6.424 1.00 0.00 WAT1 ATOM 5214 H1 TIP3 1236 16.555 -3.720 7.158 1.00 0.00 WAT1 ATOM 5215 H2 TIP3 1236 17.431 -4.267 6.009 1.00 0.00 WAT1 ATOM 5216 OH2 TIP3 1237 12.075 -12.188 3.644 1.00 0.00 WAT1 ATOM 5217 H1 TIP3 1237 12.747 -12.201 4.362 1.00 0.00 WAT1 ATOM 5218 H2 TIP3 1237 12.011 -13.127 3.357 1.00 0.00 WAT1 ATOM 5219 OH2 TIP3 1238 20.126 0.371 5.396 1.00 0.00 WAT1 ATOM 5220 H1 TIP3 1238 21.015 0.500 4.992 1.00 0.00 WAT1 ATOM 5221 H2 TIP3 1238 20.015 -0.604 5.424 1.00 0.00 WAT1 ATOM 5222 OH2 TIP3 1239 19.471 -2.284 5.350 1.00 0.00 WAT1 ATOM 5223 H1 TIP3 1239 18.693 -2.618 5.846 1.00 0.00 WAT1 ATOM 5224 H2 TIP3 1239 19.969 -3.082 5.130 1.00 0.00 WAT1 ATOM 5225 OH2 TIP3 1240 22.046 -13.989 5.505 1.00 0.00 WAT1 ATOM 5226 H1 TIP3 1240 22.171 -14.943 5.442 1.00 0.00 WAT1 ATOM 5227 H2 TIP3 1240 21.978 -13.819 6.469 1.00 0.00 WAT1 ATOM 5228 OH2 TIP3 1241 18.359 0.994 7.382 1.00 0.00 WAT1 ATOM 5229 H1 TIP3 1241 19.020 0.925 6.657 1.00 0.00 WAT1 ATOM 5230 H2 TIP3 1241 18.527 0.220 7.926 1.00 0.00 WAT1 ATOM 5231 OH2 TIP3 1242 11.659 -1.035 10.702 1.00 0.00 WAT1 ATOM 5232 H1 TIP3 1242 11.766 -1.545 9.878 1.00 0.00 WAT1 ATOM 5233 H2 TIP3 1242 12.559 -0.706 10.897 1.00 0.00 WAT1 ATOM 5234 OH2 TIP3 1243 15.866 -2.844 10.814 1.00 0.00 WAT1 ATOM 5235 H1 TIP3 1243 15.533 -3.751 10.819 1.00 0.00 WAT1 ATOM 5236 H2 TIP3 1243 16.709 -2.896 11.321 1.00 0.00 WAT1 ATOM 5237 OH2 TIP3 1244 18.078 -3.275 12.412 1.00 0.00 WAT1 ATOM 5238 H1 TIP3 1244 18.958 -3.657 12.330 1.00 0.00 WAT1 ATOM 5239 H2 TIP3 1244 17.997 -3.059 13.347 1.00 0.00 WAT1 ATOM 5240 OH2 TIP3 1245 9.828 13.124 3.431 1.00 0.00 WAT1 ATOM 5241 H1 TIP3 1245 10.011 13.953 2.972 1.00 0.00 WAT1 ATOM 5242 H2 TIP3 1245 9.607 12.492 2.705 1.00 0.00 WAT1 ATOM 5243 OH2 TIP3 1246 9.961 6.545 1.519 1.00 0.00 WAT1 ATOM 5244 H1 TIP3 1246 9.359 7.134 2.014 1.00 0.00 WAT1 ATOM 5245 H2 TIP3 1246 9.435 5.748 1.357 1.00 0.00 WAT1 ATOM 5246 OH2 TIP3 1247 14.412 2.622 4.702 1.00 0.00 WAT1 ATOM 5247 H1 TIP3 1247 14.779 3.440 4.322 1.00 0.00 WAT1 ATOM 5248 H2 TIP3 1247 14.993 2.438 5.467 1.00 0.00 WAT1 ATOM 5249 OH2 TIP3 1248 22.525 0.593 4.132 1.00 0.00 WAT1 ATOM 5250 H1 TIP3 1248 23.342 0.858 4.565 1.00 0.00 WAT1 ATOM 5251 H2 TIP3 1248 22.687 0.755 3.197 1.00 0.00 WAT1 ATOM 5252 OH2 TIP3 1249 9.485 2.973 3.079 1.00 0.00 WAT1 ATOM 5253 H1 TIP3 1249 9.697 2.052 2.801 1.00 0.00 WAT1 ATOM 5254 H2 TIP3 1249 9.091 3.376 2.275 1.00 0.00 WAT1 ATOM 5255 OH2 TIP3 1250 9.134 2.734 -3.017 1.00 0.00 WAT1 ATOM 5256 H1 TIP3 1250 9.171 2.517 -3.953 1.00 0.00 WAT1 ATOM 5257 H2 TIP3 1250 9.400 1.894 -2.565 1.00 0.00 WAT1 ATOM 5258 OH2 TIP3 1251 11.940 3.083 0.151 1.00 0.00 WAT1 ATOM 5259 H1 TIP3 1251 12.195 3.685 0.858 1.00 0.00 WAT1 ATOM 5260 H2 TIP3 1251 11.329 3.610 -0.405 1.00 0.00 WAT1 ATOM 5261 OH2 TIP3 1252 14.839 0.139 6.887 1.00 0.00 WAT1 ATOM 5262 H1 TIP3 1252 15.236 1.022 7.050 1.00 0.00 WAT1 ATOM 5263 H2 TIP3 1252 15.403 -0.247 6.182 1.00 0.00 WAT1 ATOM 5264 OH2 TIP3 1253 13.420 3.635 7.491 1.00 0.00 WAT1 ATOM 5265 H1 TIP3 1253 13.104 4.431 7.020 1.00 0.00 WAT1 ATOM 5266 H2 TIP3 1253 14.364 3.595 7.279 1.00 0.00 WAT1 ATOM 5267 OH2 TIP3 1254 11.207 0.888 7.647 1.00 0.00 WAT1 ATOM 5268 H1 TIP3 1254 11.356 1.485 6.885 1.00 0.00 WAT1 ATOM 5269 H2 TIP3 1254 11.953 1.082 8.254 1.00 0.00 WAT1 ATOM 5270 OH2 TIP3 1255 11.249 7.028 10.501 1.00 0.00 WAT1 ATOM 5271 H1 TIP3 1255 12.214 6.850 10.432 1.00 0.00 WAT1 ATOM 5272 H2 TIP3 1255 11.052 7.568 9.712 1.00 0.00 WAT1 ATOM 5273 OH2 TIP3 1256 11.165 4.055 13.203 1.00 0.00 WAT1 ATOM 5274 H1 TIP3 1256 10.576 3.396 13.632 1.00 0.00 WAT1 ATOM 5275 H2 TIP3 1256 10.557 4.776 12.931 1.00 0.00 WAT1 ATOM 5276 OH2 TIP3 1257 13.627 4.858 12.244 1.00 0.00 WAT1 ATOM 5277 H1 TIP3 1257 14.085 4.274 12.868 1.00 0.00 WAT1 ATOM 5278 H2 TIP3 1257 12.683 4.754 12.473 1.00 0.00 WAT1 ATOM 5279 OH2 TIP3 1258 10.130 13.002 7.721 1.00 0.00 WAT1 ATOM 5280 H1 TIP3 1258 10.112 12.262 8.358 1.00 0.00 WAT1 ATOM 5281 H2 TIP3 1258 10.756 12.705 7.024 1.00 0.00 WAT1 ATOM 5282 OH2 TIP3 1259 17.475 7.650 7.610 1.00 0.00 WAT1 ATOM 5283 H1 TIP3 1259 18.287 7.354 8.042 1.00 0.00 WAT1 ATOM 5284 H2 TIP3 1259 17.093 8.287 8.230 1.00 0.00 WAT1 ATOM 5285 OH2 TIP3 1260 7.049 15.414 8.666 1.00 0.00 WAT1 ATOM 5286 H1 TIP3 1260 7.719 15.672 8.003 1.00 0.00 WAT1 ATOM 5287 H2 TIP3 1260 6.909 16.234 9.198 1.00 0.00 WAT1 ATOM 5288 OH2 TIP3 1261 15.360 1.090 13.100 1.00 0.00 WAT1 ATOM 5289 H1 TIP3 1261 16.152 1.480 13.479 1.00 0.00 WAT1 ATOM 5290 H2 TIP3 1261 14.628 1.634 13.463 1.00 0.00 WAT1 ATOM 5291 OH2 TIP3 1262 13.877 6.406 10.021 1.00 0.00 WAT1 ATOM 5292 H1 TIP3 1262 14.379 5.896 9.375 1.00 0.00 WAT1 ATOM 5293 H2 TIP3 1262 13.961 5.887 10.855 1.00 0.00 WAT1 ATOM 5294 OH2 TIP3 1263 16.029 5.246 7.175 1.00 0.00 WAT1 ATOM 5295 H1 TIP3 1263 15.853 5.254 6.209 1.00 0.00 WAT1 ATOM 5296 H2 TIP3 1263 16.500 6.081 7.338 1.00 0.00 WAT1 ATOM 5297 OH2 TIP3 1264 16.523 7.801 5.028 1.00 0.00 WAT1 ATOM 5298 H1 TIP3 1264 16.937 7.782 5.920 1.00 0.00 WAT1 ATOM 5299 H2 TIP3 1264 17.151 8.294 4.486 1.00 0.00 WAT1 ATOM 5300 OH2 TIP3 1265 11.174 2.097 5.171 1.00 0.00 WAT1 ATOM 5301 H1 TIP3 1265 10.615 2.579 4.527 1.00 0.00 WAT1 ATOM 5302 H2 TIP3 1265 12.084 2.323 4.914 1.00 0.00 WAT1 ATOM 5303 OH2 TIP3 1266 13.807 8.273 5.475 1.00 0.00 WAT1 ATOM 5304 H1 TIP3 1266 14.764 8.234 5.278 1.00 0.00 WAT1 ATOM 5305 H2 TIP3 1266 13.585 7.363 5.759 1.00 0.00 WAT1 ATOM 5306 OH2 TIP3 1267 16.132 2.504 6.966 1.00 0.00 WAT1 ATOM 5307 H1 TIP3 1267 16.355 3.433 7.188 1.00 0.00 WAT1 ATOM 5308 H2 TIP3 1267 16.981 2.013 7.105 1.00 0.00 WAT1 ATOM 5309 OH2 TIP3 1268 15.701 5.197 4.437 1.00 0.00 WAT1 ATOM 5310 H1 TIP3 1268 15.955 6.139 4.384 1.00 0.00 WAT1 ATOM 5311 H2 TIP3 1268 16.386 4.731 3.894 1.00 0.00 WAT1 ATOM 5312 OH2 TIP3 1269 14.463 -0.407 11.000 1.00 0.00 WAT1 ATOM 5313 H1 TIP3 1269 14.961 -1.250 10.999 1.00 0.00 WAT1 ATOM 5314 H2 TIP3 1269 14.823 0.084 11.776 1.00 0.00 WAT1 ATOM 5315 OH2 TIP3 1270 11.680 9.548 4.381 1.00 0.00 WAT1 ATOM 5316 H1 TIP3 1270 12.496 9.171 4.797 1.00 0.00 WAT1 ATOM 5317 H2 TIP3 1270 11.779 9.334 3.426 1.00 0.00 WAT1 ATOM 5318 OH2 TIP3 1271 11.105 8.467 8.118 1.00 0.00 WAT1 ATOM 5319 H1 TIP3 1271 12.024 8.354 7.833 1.00 0.00 WAT1 ATOM 5320 H2 TIP3 1271 10.584 8.260 7.322 1.00 0.00 WAT1 ATOM 5321 OH2 TIP3 1272 13.265 1.521 9.472 1.00 0.00 WAT1 ATOM 5322 H1 TIP3 1272 13.828 2.030 8.863 1.00 0.00 WAT1 ATOM 5323 H2 TIP3 1272 13.880 0.885 9.901 1.00 0.00 WAT1 ATOM 5324 OH2 TIP3 1273 9.450 6.085 12.276 1.00 0.00 WAT1 ATOM 5325 H1 TIP3 1273 10.093 6.403 11.597 1.00 0.00 WAT1 ATOM 5326 H2 TIP3 1273 9.075 6.907 12.651 1.00 0.00 WAT1 ATOM 5327 OH2 TIP3 1274 9.602 2.218 14.565 1.00 0.00 WAT1 ATOM 5328 H1 TIP3 1274 9.255 2.920 15.171 1.00 0.00 WAT1 ATOM 5329 H2 TIP3 1274 9.717 1.451 15.137 1.00 0.00 WAT1 ATOM 5330 OH2 TIP3 1275 14.982 -2.248 8.278 1.00 0.00 WAT1 ATOM 5331 H1 TIP3 1275 15.328 -2.445 9.174 1.00 0.00 WAT1 ATOM 5332 H2 TIP3 1275 15.046 -1.277 8.205 1.00 0.00 WAT1 ATOM 5333 OH2 TIP3 1276 17.536 3.807 3.055 1.00 0.00 WAT1 ATOM 5334 H1 TIP3 1276 18.181 3.934 2.356 1.00 0.00 WAT1 ATOM 5335 H2 TIP3 1276 17.664 2.866 3.330 1.00 0.00 WAT1 END